*HEADER   CALCIUM-BINDING PROTEIN                 13-DEC-91   1CB1    
*COMPND   CALBINDIN D9K (INTACT FORM) (NMR, 13 STRUCTURES)            
*SOURCE   PORCINE (SUS SCROFA) INTESTINES                             
*AUTHOR   M.AKKE,T.DRAKENBERG,W.J.CHAZIN                              
*REVDAT  1   31-OCT-93 1CB1    0                                      

REMARK   3                                                                      
REMARK   3 THE STRUCTURES WERE CALCULATED USING METRIC MATRIX DISTANCE
REMARK   3 GEOMETRY, FOLLOWED BY A RESTRAINED MOLECULAR DYNAMICS 
REMARK   3 ANNEALING CYCLE EMPLOYING THE FULL AMBER FORCE FIELD. 
REMARK   3                                                                      
REMARK   3 PROGRAMS USED:
REMARK   3  *DISGEO*-DISTANCE GEOMETRY:  
REMARK   3     HAVEL, T.F., & WUTHRICH, K. 
REMARK   3        (1984) BULL. MATH. BIOL. 46, 673.  
REMARK   3     HAVEL, T.F., & WUTHRICH, K. 
REMARK   3        (1985) J. MOL. BIOL. 182, 281.
REMARK   3  *AMBER*-RESTRAINED MOLECULAR DYNAMICS ANNEALING PROTOCOL:
REMARK   3     GIPPERT, G.P., YIP, P., WRIGHT, P.E., & CASE, D.A. 
REMARK   3        (1990) BIOCHEM.PHARM. 40, 15
REMARK   4                                                                      
REMARK   4 THESE COORDINATES WERE GENERATED FROM SOLUTION /NMR$ DATA.           
REMARK   4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND              
REMARK   4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE                 
REMARK   4 RECORDS ARE MEANINGLESS.                                             
REMARK   5                                                                      
REMARK   5 DATA WERE COLLECTED AT PH 6.0 AND 300 K.
REMARK   6                                                                      
REMARK   6 PORCINE CALBINDIN D9K NMR-DERIVED CONSTRAINTS: 
REMARK   6                                                                      
REMARK   6    A COMPLETE LIST OF EXPERIMENTAL CONSTRAINTS HAS BEEN 
REMARK   6    DEPOSITED WITH THE BROOKHAVEN PROTEIN DATA BANK.
REMARK   6    A SUMMARY OF NMR CONSTRAINTS IS GIVEN BELOW.
REMARK   6
REMARK   6 DISTANCE UPPER-BOUND CONSTRAINTS DERIVED FROM NOE DATA:
REMARK   6       INTRA-RESIDUE   101
REMARK   6       INTER-RESIDUE   371
REMARK   6       TOTAL           472
REMARK   6
REMARK   6 HYDROGEN BOND CONSTRAINTS DERIVED FROM AMIDE PROTON
REMARK   6    EXCHANGE AND NOE DATA:
REMARK   6       10 HYDROGEN BONDS WERE CONSTRAINTED IN *DISGEO* 
REMARK   6       EACH HYDROGEN BOND IS IMPOSED AS TWO CONSTRAINTS:
REMARK   6       NH-O = 1.8-2.0; N-O = 2.7-3.0 (ANGSTROM).
REMARK   6       THUS, IN TOTAL 20 CONSTRAINTS WERE USED.
REMARK   6       NO HYDROGEN BOND CONSTRAINTS WERE USED IN *AMBER* 
REMARK   6
REMARK   6 DIHEDRAL ANGLE CONSTRAINTS DERIVED FROM 3JHNA COUPLING 
REMARK   6    CONSTANTS MEASURED IN COSY SPECTRA:
REMARK   6       27 RESIDUES  -90 < PHI < -40 DEGREES (*DISGEO*)
REMARK   6        9 RESIDUES -160 < PHI < -80 DEGREES (*DISGEO*)
REMARK   6        2 RESIDUES -140 < PHI <-100 DEGREES (*DISGEO*)
REMARK   6       27 RESIDUES  -90 < PHI <  40 DEGREES (*AMBER*)
REMARK   6       11 RESIDUES -160 < PHI < -80 DEGREES (*AMBER*)
REMARK   7                                                                      
REMARK   7 STRUCTURAL STATISTICS AND RESIDUAL VIOLATIONS:
REMARK   7                                                                      
REMARK   7    RMS DEVIATIONS OF COVALENT GEOMETRY FROM IDEALITY:
REMARK   7       BOND LENGTHS:    0.006 ANGSTROMS  
REMARK   7       BOND ANGLES:     1.6   DEGREES  
REMARK   7                                                                      
REMARK   7    AVERAGE MAXIMUM RESIDUAL CONSTRAINT VIOLATIONS: 
REMARK   7       DISTANCES:       0.33 ANGSTROMS  
REMARK   7       DIHEDRAL ANGLES: 9.3  DEGREES  
REMARK   7                                                                      
REMARK   7    RESIDUAL CONSTRAINT AND TOTAL *AMBER* ENERGIES: 
REMARK   7      GIVEN FOR EACH MODEL. NOE CONSTRAINTS ARE MODELLED 
REMARK   7      AS A HALF-PARABOLA PENALTY FUNCTION WITH RESTORING 
REMARK   7      FORCE CONSTANT 32 KCAL/(MOL A**2). DIHEDRAL ANGLES 
REMARK   7      FALLING OUTSIDE THE PRESCRIBED LIMITS WERE PENALIZED 
REMARK   7      BY A FUNCTION OF THE FORM K(1-COS(W-W0)) WHERE W0 IS 
REMARK   7      THE ENDPOINT OF THE *ALLOWED* RANGE AND K=32 KCAL/MOL.
REMARK   7      UNITS ARE KCAL/MOL.   
REMARK   7                                                                      
REMARK   7      MODEL   CONSTRAINT        TOTAL
REMARK   7 _________________________________________________                    
REMARK   7        1        23.6          -974.5
REMARK   7        2        22.1          -988.0
REMARK   7        3        21.7         -1017.0
REMARK   7        4        21.2         -1002.8
REMARK   7        5        21.6          -970.8
REMARK   7        6        18.4         -1009.8
REMARK   7        7        29.4          -996.2
REMARK   7        8        17.5         -1041.1
REMARK   7        9        19.1          -991.2
REMARK   7       10        34.9          -960.4
REMARK   7       11        17.1          -977.1
REMARK   7       12        31.2          -954.6
REMARK   7       13        25.0          -966.9
REMARK   7       14        22.6          -969.2
REMARK   7                                                                      
REMARK   7    MODELS 1 THROUGH 14 CORRESPOND TO THE 14 "DG-RMD" 
REMARK   7    STRUCTURES REPORTED IN THE PAPER CITED ON *JRNL* 
REMARK   7    RECORDS ABOVE.                          
REMARK   7                                                                      
REMARK   7    MODELS 1 THROUGH 14 WERE BEST-FIT SUPERIMPOSED FOR THE 
REMARK   7    ATOMS SPECIFIED BELOW. UNITS ARE ANGSTROM.
REMARK   7 
REMARK   7      ALL RESIDUES. ALL HEAVY ATOMS: 
REMARK   7      PAIRWISE AVERAGE RMSD      = 3.38 +/- 0.40
REMARK   7      AVERAGE RMSD FROM AVERAGE  = 2.30
REMARK   7      ALL RESIDUES. CA, C, N ATOMS: 
REMARK   7      PAIRWISE AVERAGE RMSD      = 2.80 +/- 0.46
REMARK   7      AVERAGE RMSD FROM AVERAGE  = 1.91
REMARK   7      HELICES:
REMARK   7      RESIDUES 7-19, 29-38, 49-57, 66-76. ATOMS CA, C, N: 
REMARK   7      PAIRWISE AVERAGE RMSD      = 1.13 +/- 0.21
REMARK   7      AVERAGE RMSD FROM AVERAGE  = 0.77
REMARK   7 
REMARK   7 RESIDUE NUMBERING USED HERE (1 - 78) FOLLOWS SEQUENCE AS 
REMARK   7 LISTED IN *SEQRES* RECORDS BELOW. RESIDUE NUMBERING USED 
REMARK   7 IN THE PAPER CITED ON *JRNL* RECORDS ABOVE (-2 - 75) 
REMARK   7 FOLLOWED THE NUMBERING OF THE MINOR A FORM OF BOVINE 
REMARK   7 CALBINDIN D9K (FULLMER, C.S. & WASSERMAN, R.H. (1981) 
REMARK   7 J. BIOL. CHEM. 256, 5669).
REMARK   8                                                              
REMARK   8 HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES       
REMARK   8 CONSISTENT WITH THE PROTEIN DATA BANK'S INTERPRETATION
REMARK   8 OF THE RECOMMENDATIONS OF THE IUPAC-IUB COMMISSION ON 
REMARK   8 BIOCHEMICAL NOMENCLATURE (SEE, E.G., J. MOL. BIOL. 52, 
REMARK   8 1-17 (1970)). THUS, WHEN MORE THAN ONE HYDROGEN ATOM IS 
REMARK   8 BONDED TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM
REMARK   8 NUMBERING STARTS WITH 1, AND THE ATOM NUMBER DESIGNATION 
REMARK   8 IS GIVEN AS THE FIRST CHARACTER OF THE ATOM NAME RATHER 
REMARK   8 THAN THE LAST CHARACTER (E.G. H*BETA*1 IS DENOTED AS 1HB). 
SEQRES   1     78  SER ALA GLN LYS SER PRO ALA GLU LEU LYS SER ILE PHE
SEQRES   2     78  GLU LYS TYR ALA ALA LYS GLU GLY ASP PRO ASN GLN LEU
SEQRES   3     78  SER LYS GLU GLU LEU LYS GLN LEU ILE GLN ALA GLU PHE
SEQRES   4     78  PRO SER LEU LEU LYS GLY PRO ARG THR LEU ASP ASP LEU
SEQRES   5     78  PHE GLN GLU LEU ASP LYS ASN GLY ASP GLY GLU VAL SER
SEQRES   6     78  PHE GLU GLU PHE GLN VAL LEU VAL LYS LYS ILE SER GLN
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                         
COMPND    CALBINDIN D=9K= (PORCINE, INTACT FORM) (/NMR$, 
COMPND   2 14 STRUCTURES)
SOURCE    PORCINE (SUS $SCROFA) INTESTINE
EXPDTA    /NMR$  
AUTHOR    M.AKKE,T.DRAKENBERG,W.J.CHAZIN
JRNL        AUTH 1 M.AKKE,T.DRAKENBERG,W.J.CHAZIN
JRNL        TITL 1 THREE-DIMENSIONAL SOLUTION STRUCTURE OF 
JRNL        TITL 2 CA==2+==-*LOADED PORCINE CALBINDIN D=9K= DETERMINED 
JRNL        TITL 3 BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
JRNL        REF    BIOCHEMISTRY (ACCEPTED OCT 18, 1991) 
JRNL        REFN
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   T.DRAKENBERG,T.HOFMANN,W.J.CHAZIN
REMARK   1  TITL 1 ==1==*H NMR STUDIES OF PORCINE CALBINDIN D=9K= IN
REMARK   1  TITL 2 SOLUTION: SEQUENTIAL RESONANCE ASSIGNMENT, 
REMARK   1  TITL 3 SECONDARY STRUCTURE, AND GLOBAL FOLD
REMARK   1  REF    BIOCHEMISTRY                  V.  28  5946 1989              
REMARK   1  REFN
REMARK   2                                                                      
REMARK   2 HYDROGEN ATOMS IN THIS CONSTRAINT SET HAVE BEEN GIVEN
REMARK   2 NAMES CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB
REMARK   2 COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE, E.G., J.MOL.            
REMARK   2 BIOL. 52, 1 (1970)), AND WHERE POSSIBLE, ARE CONSISTENT WITH
REMARK   2 HYDROGEN ATOM NAMES IN THE CORRESPONDING PDB COORDINATE ENTRY
REMARK   2 FOR PORCINE CALBINDIN D9K.
REMARK   2
REMARK   3
REMARK   3 PORCINE CALBINDIN D9K NMR RESTRAINTS USED IN STRUCTURE
REMARK   3 DETERMINATION. COMPLETE LIST OF HYDROGEN-BOND, NOE AND 
REMARK   3 DIHEDRAL ANGLE CONSTRAINTS.
REMARK   3
REMARK   3
REMARK   3 HYDROGEN BONDS CONSTRAINTS--
REMARK   3   10 HYDROGEN BOND DISTANCE CONSTRAINTS WERE USED FOR                
REMARK   3   *DISGEO* CALCULATIONS. NO HYDROGEN BOND CONSTRAINTS WERE           
REMARK   3   USED FOR *AMBER* RESTRAINED ENERGY MINIMIZATION OR                 
REMARK   3   DYNAMICS CALCULATIONS.                                             
REMARK   3                                                                      
REMARK   3   THE DISTANCE BOUNDS USED WERE:
REMARK   3   (DONOR-ACCEPTOR, LOWER BOUND-UPPER BOUND) (ANGSTROM) 
REMARK   3      HN-O, 1.8-2.0
REMARK   3       N-O, 2.7-3.0
REMARK   3                                                                      
REMARK   3        DONOR         ACCEPTOR
REMARK   3       -----------------------
REMARK   3 	 13 PHE 	  9 LEU 
REMARK   3 	 14 GLU 	 10 LYS 
REMARK   3 	 16 TYR 	 12 ILE 
REMARK   3 	 17 ALA 	 13 PHE 
REMARK   3 	 26 LEU 	 64 VAL 
REMARK   3 	 36 GLN 	 32 LYS 
REMARK   3 	 37 ALA 	 33 GLN 
REMARK   3 	 53 PHE 	 49 LEU 
REMARK   3 	 64 VAL 	 26 LEU 
REMARK   3 	 70 GLN 	 66 PHE 
REMARK   3
REMARK   3
REMARK   3 DIHEDRAL ANGLE CONSTRAINTS--                                       
REMARK   3   PHI DIHEDRAL ANGLE CONSTRAINTS ARE DERIVED FROM MEASURED
REMARK   3   3JHNA SCALAR COUPLING CONSTANTS.
REMARK   3   
REMARK   3   BOTH *DISGEO* AND *AMBER* CALCULATIONS UTILIZE THESE
REMARK   3   DIHEDRAL ANGLE CONSTRAINTS, THOUGH FOR *DISGEO* THE
REMARK   3   PHI CONSTRAINTS GIVEN BELOW AS -90 < PHI < 40 ARE GIVEN
REMARK   3   THE MORE RESTRICTIVE RANGE -90 < PHI < -40, AND THE 
REMARK   3   RESIDUES WITH A "*" IN THE LAST FIELD OF THEIR RECORD 
REMARK   3   ARE GIVEN THE RANGE -140 < PHI < -100. 
REMARK   3
REMARK   3   DIHEDRAL CONSTRAINTS USED FOR FINAL STRUCTURE REFINEMENT
REMARK   3   -------------------------------------------------------
REMARK   3 	  7 ALA 	  -90 < PHI <  40 
REMARK   3 	  9 LEU 	  -90 < PHI <  40 
REMARK   3 	 11 SER 	  -90 < PHI <  40 
REMARK   3 	 13 PHE 	  -90 < PHI <  40 
REMARK   3 	 14 GLU 	  -90 < PHI <  40 
REMARK   3 	 15 LYS 	  -90 < PHI <  40 
REMARK   3 	 16 TYR 	 -160 < PHI < -80 
REMARK   3 	 17 ALA 	  -90 < PHI <  40 
REMARK   3 	 18 ALA 	  -90 < PHI <  40 
REMARK   3 	 19 LYS 	  -90 < PHI <  40 
REMARK   3 	 20 GLU 	 -160 < PHI < -80 
REMARK   3 	 24 ASN 	 -160 < PHI < -80 *
REMARK   3 	 25 GLN 	 -160 < PHI < -80 
REMARK   3 	 26 LEU 	 -160 < PHI < -80 
REMARK   3 	 27 SER 	  -90 < PHI <  40 
REMARK   3 	 28 LYS 	  -90 < PHI <  40 
REMARK   3 	 31 LEU 	  -90 < PHI <  40 
REMARK   3 	 32 LYS 	  -90 < PHI <  40 
REMARK   3 	 34 LEU 	  -90 < PHI <  40 
REMARK   3 	 36 GLN 	  -90 < PHI <  40 
REMARK   3 	 38 GLU 	 -160 < PHI < -80 
REMARK   3 	 39 PHE 	 -160 < PHI < -80 
REMARK   3 	 42 LEU 	  -90 < PHI <  40 
REMARK   3 	 49 LEU 	  -90 < PHI <  40 
REMARK   3 	 53 PHE 	  -90 < PHI <  40 
REMARK   3 	 54 GLN 	  -90 < PHI <  40 
REMARK   3 	 58 LYS 	  -90 < PHI <  40 
REMARK   3 	 59 ASN 	 -160 < PHI < -80 
REMARK   3 	 61 ASP 	 -160 < PHI < -80 
REMARK   3 	 63 GLU 	 -160 < PHI < -80 *
REMARK   3 	 64 VAL 	 -160 < PHI < -80 
REMARK   3 	 67 GLU 	  -90 < PHI <  40 
REMARK   3 	 69 PHE 	  -90 < PHI <  40 
REMARK   3 	 70 GLN 	  -90 < PHI <  40 
REMARK   3 	 71 VAL 	  -90 < PHI <  40 
REMARK   3 	 73 VAL 	  -90 < PHI <  40 
REMARK   3 	 74 LYS 	  -90 < PHI <  40 
REMARK   3 	 76 ILE 	  -90 < PHI <  40 
REMARK   3                                                                      
REMARK   3                                                                      
REMARK   3 NOE DERIVED DISTANCE UPPER BOUND CONSTRAINTS--                       
REMARK   3   ALL EXPERIMENTALLY DERIVED NOE DISTANCE UPPER-BOUNDS USED 
REMARK   3   FOR PORCINE CALBINDIN D9K STRUCTURE CALCULATIONS ARE GIVEN
REMARK   3   BELOW. DISTANCE CONSTRAINTS ARE DERIVED FROM THESE DISTANCE 
REMARK   3   BOUNDS DIFFERENTLY FOR *DISGEO* AND *AMBER CALCULATIONS. 
REMARK   3   CONSTRAINTS EXACTLY AS WOULD BE USED FOR *DISGEO* AND 
REMARK   3   *AMBER* CALCULATIONS MAY BE OBTAINED VIA EMAIL FROM THE 
REMARK   3   AUTHORS: AKKE@SCRIPPS.EDU OR CHAZIN@SCRIPPS.EDU
REMARK   3                                                                      
REMARK   3   *DISGEO*- A MIXED PSEUDO-ATOM/ALL-ATOM REPRESENTATION WAS
REMARK   3     USED IN WHICH ALL ALPHA, BETA, GAMMA, AND DELTA 
REMARK   3     METHYLENE PROTONS ARE REPRESENTED BY BOTH PROTON AND 
REMARK   3     PSEUDO-ATOM POINTS. 
REMARK   3
REMARK   3   *AMBER*- ALL-ATOM STRUCTURES WERE USED. (R**-6) DISTANCE          
REMARK   3     WEIGHTING WAS USED FOR ALL NON-STEREO-SPECIFICALLY               
REMARK   3     ASSIGNED DIASTEREOTOPIC PROTONS, INCLUDING METHYL 
REMARK   3     GROUPS. AMBIGUOUS NOE CONSTRAINTS TO CHEMICAL-SHIFT
REMARK   3     DEGENERATE VAL AND LEU METHYLS, OR WHERE ONLY ONE OF
REMARK   3     THE TWO METHYLS IS OBSERVED TO EXHIBIT AN NOE,
REMARK   3     ARE REFERRED TO COMMON CB OR CG ATOMS, RESPECTIVELY,             
REMARK   3     WITH A 2.2 ANGSTROMS CORRECTION.
REMARK   3                                                                      
REMARK   3     SINCE NO STEREO-SPECIFIC ASSIGNMENTS WERE MADE,
REMARK   3     PSEUDOATOM NAMES ARE USED FOR ALL DIASTEREOTOPIC 
REMARK   3     PROTONS, INDICATED BY A LEADING "Q". 
REMARK   3     METHYL GROUPS ARE INDICATED BY "M", WHILE METHYLENE 
REMARK   3     PROTONS ARE INDICATED BY "H".
REMARK   3     CHEMICAL SHIFTS ARE GIVEN IN PPM.
REMARK   3     DISTANCE BOUNDS ARE GIVEN IN ANGSTROM.  
REMARK   3                                                                      
REMARK   3          ATOM 1          ATOM 2       DIST  CHEM  CHEM
REMARK   3                                        BND  SHF1  SHF2
REMARK   3        -----------------------------------------------
REMARK   3 	  2 ALA  HN 	  1 SER  HA 	  3.2  8.45  4.43 
REMARK   3 	  3 GLN  HN 	  4 LYS  HN 	  6.5  8.28  8.50 
REMARK   3 	  4 LYS  HN 	  4 LYS QHB 	  3.2  8.50  1.79 
REMARK   3 	  4 LYS  HN 	  3 GLN  HA 	  3.2  8.50  4.36 
REMARK   3 	  4 LYS  HN 	  3 GLN QHB 	  6.5  8.50  1.98 
REMARK   3 	  4 LYS  HN 	  3 GLN QHB 	  6.5  8.50  2.09 
REMARK   3 	  4 LYS  HN 	  3 GLN QHG 	  6.5  8.50  2.37 
REMARK   3 	  4 LYS  HA 	  4 LYS QHG 	  3.2  4.57  1.56 
REMARK   3 	  4 LYS  HA 	  4 LYS QHD 	  3.2  4.57  1.71 
REMARK   3 	  5 SER  HN 	  4 LYS  HA 	  3.2  9.09  4.57 
REMARK   3 	  5 SER  HN 	  4 LYS QHB 	  3.2  9.09  1.79 
REMARK   3 	  5 SER  HN 	  5 SER QHB 	  3.2  9.09  4.06 
REMARK   3 	  5 SER  HN 	  8 GLU  HN 	  6.5  9.09  7.99 
REMARK   3 	  5 SER  HN 	  8 GLU QHB 	  6.5  9.09  2.07 
REMARK   3 	  5 SER  HN 	  8 GLU QHB 	  3.2  9.09  2.41 
REMARK   3 	  5 SER  HA 	  6 PRO QHG 	  4.3  4.78  2.07 
REMARK   3 	  5 SER  HA 	  6 PRO QHD 	  3.2  4.78  3.93 
REMARK   3 	  5 SER  HA 	  6 PRO QHD 	  3.2  4.78  3.98 
REMARK   3 	  6 PRO  HA 	  9 LEU QMD 	  3.7  4.34  0.98 
REMARK   3 	  7 ALA  HN 	  8 GLU  HN 	  3.2  8.22  7.99 
REMARK   3 	  7 ALA  HN 	  9 LEU  HN 	  6.5  8.22  8.59 
REMARK   3 	  7 ALA  HA 	 10 LYS QHB 	  3.2  4.16  1.76 
REMARK   3 	  7 ALA  HA 	 10 LYS QHB 	  3.2  4.16  1.94 
REMARK   3 	  8 GLU  HN 	  7 ALA  HA 	  3.2  7.99  4.16 
REMARK   3 	  8 GLU  HN 	  8 GLU QHB 	  3.2  7.99  2.07 
REMARK   3 	  8 GLU  HN 	  8 GLU QHB 	  3.2  7.99  2.41 
REMARK   3 	  9 LEU  HN 	  6 PRO  HA 	  4.3  8.59  4.34 
REMARK   3 	  9 LEU  HN 	  7 ALA  MB 	  7.0  8.59  1.43 
REMARK   3 	  9 LEU  HN 	  8 GLU  HN 	  3.2  8.59  7.99 
REMARK   3 	  9 LEU  HN 	  9 LEU QHB 	  3.2  8.59  2.19 
REMARK   3 	  9 LEU  HN 	  9 LEU  HG 	  3.2  8.59  1.90 
REMARK   3 	  9 LEU  HN 	 10 LYS  HN 	  3.2  8.59  8.24 
REMARK   3 	  9 LEU  HN 	 11 SER  HN 	  6.5  8.59  7.85 
REMARK   3 	  9 LEU  HA 	  9 LEU QMD 	  3.7  4.25  1.05 
REMARK   3 	  9 LEU  HA 	 12 ILE  MG 	  7.0  4.25  1.14 
REMARK   3 	  9 LEU  HA 	 12 ILE  MD 	  3.7  4.25  0.94 
REMARK   3 	 10 LYS  HN 	  7 ALA  HA 	  4.3  8.24  4.16 
REMARK   3 	 10 LYS  HN 	  8 GLU  HN 	  6.5  8.24  7.99 
REMARK   3 	 10 LYS  HN 	  9 LEU  HA 	  3.2  8.24  4.25 
REMARK   3 	 10 LYS  HN 	  9 LEU QHB 	  3.2  8.24  1.71 
REMARK   3 	 10 LYS  HN 	  9 LEU QHB 	  3.2  8.24  2.19 
REMARK   3 	 10 LYS  HN 	 10 LYS QHB 	  3.2  8.24  1.76 
REMARK   3 	 10 LYS  HN 	 10 LYS QHB 	  3.2  8.24  1.94 
REMARK   3 	 10 LYS  HN 	 11 SER  HN 	  3.2  8.24  7.85 
REMARK   3 	 10 LYS  HN 	 66 PHE  HZ 	  6.5  8.24  7.35 
REMARK   3 	 11 SER  HN 	 11 SER QHB 	  3.2  7.85  4.01 
REMARK   3 	 11 SER  HN 	  8 GLU  HA 	  4.3  7.85  4.14 
REMARK   3 	 11 SER  HN 	 10 LYS QHB 	  3.2  7.85  1.94 
REMARK   3 	 11 SER  HN 	 10 LYS  HN 	  3.2  7.85  8.24 
REMARK   3 	 11 SER  HA 	 14 GLU QHB 	  4.3  4.28  1.94 
REMARK   3 	 11 SER  HA 	 14 GLU QHB 	  3.2  4.28  2.11 
REMARK   3 	 11 SER  HA 	 14 GLU QHG 	  6.5  4.28  2.33 
REMARK   3 	 11 SER  HA 	 14 GLU QHG 	  6.5  4.28  2.68 
REMARK   3 	 12 ILE  HN 	  9 LEU  HA 	  6.5  8.23  4.25 
REMARK   3 	 12 ILE  HN 	 11 SER  HN 	  3.2  8.23  7.85 
REMARK   3 	 12 ILE  HN 	 11 SER QHB 	  3.2  8.23  4.01 
REMARK   3 	 12 ILE  HN 	 12 ILE  HB 	  3.2  8.23  2.17 
REMARK   3 	 12 ILE  HN 	 12 ILE QHG 	  3.2  8.23  2.00 
REMARK   3 	 13 PHE  HN 	  9 LEU  HA 	  6.5  8.41  4.25 
REMARK   3 	 13 PHE  HN 	 10 LYS  HA 	  6.5  8.41  3.97 
REMARK   3 	 13 PHE  HN 	 12 ILE  HN 	  3.2  8.41  8.23 
REMARK   3 	 13 PHE  HN 	 12 ILE  HB 	  3.2  8.41  2.17 
REMARK   3 	 13 PHE  HN 	 12 ILE  MD 	  4.8  8.41  0.94 
REMARK   3 	 13 PHE  HN 	 13 PHE QHB 	  3.2  8.41  2.71 
REMARK   3 	 13 PHE  HN 	 13 PHE QHB 	  3.2  8.41  3.33 
REMARK   3 	 13 PHE  HN 	 15 LYS  HN 	  6.5  8.41  7.75 
REMARK   3 	 13 PHE  HN 	 16 TYR  HD 	  6.5  8.41  7.39 
REMARK   3 	 13 PHE  HN 	 66 PHE  HD 	  6.5  8.41  6.49 
REMARK   3 	 13 PHE  HD 	 14 GLU  HA 	  6.5  6.35  3.75 
REMARK   3 	 13 PHE  HD 	 17 ALA  MB 	  7.0  6.35  0.42 
REMARK   3 	 13 PHE  HD 	 26 LEU QMD 	  7.0  6.35  0.73 
REMARK   3 	 13 PHE  HD 	 69 PHE  HD 	  6.5  6.35  6.91 
REMARK   3 	 13 PHE  HE 	 17 ALA  MB 	  7.0  7.11  0.42 
REMARK   3 	 13 PHE  HE 	 24 ASN  HA 	  6.5  7.11  4.96 
REMARK   3 	 13 PHE  HE 	 26 LEU QMD 	  7.0  7.11  0.34 
REMARK   3 	 13 PHE  HE 	 26 LEU QMD 	  7.0  7.11  0.73 
REMARK   3 	 13 PHE  HE 	 26 LEU  HG 	  6.5  7.11  1.28 
REMARK   3 	 13 PHE  HE 	 65 SER  HA 	  6.5  7.11  4.88 
REMARK   3 	 13 PHE  HE 	 69 PHE QHB 	  6.5  7.11  3.14 
REMARK   3 	 13 PHE  HE 	 69 PHE QHB 	  6.5  7.11  3.30 
REMARK   3 	 13 PHE  HZ 	 17 ALA  MB 	  7.0  7.62  0.42 
REMARK   3 	 13 PHE  HZ 	 26 LEU  HG 	  6.5  7.62  1.28 
REMARK   3 	 13 PHE  HZ 	 26 LEU QMD 	  7.0  7.62  0.73 
REMARK   3 	 13 PHE  HZ 	 25 GLN QHB 	  6.5  7.62  2.01 
REMARK   3 	 13 PHE  HZ 	 25 GLN QHG 	  6.5  7.62  2.11 
REMARK   3 	 13 PHE  HZ 	 65 SER  HA 	  6.5  7.62  4.88 
REMARK   3 	 13 PHE  HZ 	 66 PHE  HD 	  6.5  7.62  6.49 
REMARK   3 	 14 GLU  HN 	 10 LYS  HA 	  6.5  8.55  3.97 
REMARK   3 	 14 GLU  HN 	 11 SER  HA 	  6.5  8.55  4.28 
REMARK   3 	 14 GLU  HN 	 12 ILE  HN 	  6.5  8.55  8.23 
REMARK   3 	 14 GLU  HN 	 13 PHE  HN 	  3.2  8.55  8.41 
REMARK   3 	 14 GLU  HN 	 13 PHE QHB 	  3.2  8.55  3.33 
REMARK   3 	 14 GLU  HN 	 14 GLU QHB 	  3.2  8.55  2.11 
REMARK   3 	 14 GLU  HN 	 14 GLU QHG 	  3.2  8.55  2.68 
REMARK   3 	 14 GLU  HN 	 15 LYS  HN 	  3.2  8.55  7.75 
REMARK   3 	 14 GLU  HN 	 16 TYR  HN 	  6.5  8.55  7.22 
REMARK   3 	 14 GLU  HA 	 14 GLU QHG 	  3.2  3.75  2.33 
REMARK   3 	 14 GLU  HA 	 14 GLU QHG 	  4.3  3.75  2.68 
REMARK   3 	 14 GLU  HA 	 17 ALA  MB 	  3.7  3.75  0.42 
REMARK   3 	 15 LYS  HN 	 11 SER  HA 	  6.5  7.75  4.28 
REMARK   3 	 15 LYS  HN 	 11 SER QHB 	  6.5  7.75  4.01 
REMARK   3 	 15 LYS  HN 	 15 LYS QHB 	  3.2  7.75  1.75 
REMARK   3 	 15 LYS  HN 	 15 LYS QHB 	  3.2  7.75  1.80 
REMARK   3 	 15 LYS  HN 	 16 TYR  HN 	  3.2  7.75  7.22 
REMARK   3 	 15 LYS  HN 	 26 LEU QMD 	  7.0  7.75  0.34 
REMARK   3 	 15 LYS  HA 	 15 LYS QHG 	  3.2  3.82  0.48 
REMARK   3 	 15 LYS  HA 	 15 LYS QHG 	  3.2  3.82  1.10 
REMARK   3 	 15 LYS  HA 	 15 LYS QHD 	  3.2  3.82  1.41 
REMARK   3 	 15 LYS  HA 	 15 LYS QHD 	  6.5  3.82  1.45 
REMARK   3 	 16 TYR  HN 	 13 PHE  HA 	  6.5  7.22  3.54 
REMARK   3 	 16 TYR  HN 	 15 LYS QHB 	  3.2  7.22  1.80 
REMARK   3 	 16 TYR  HN 	 16 TYR QHB 	  3.2  7.22  2.42 
REMARK   3 	 16 TYR  HA 	 26 LEU QMD 	  7.0  3.98  0.34 
REMARK   3 	 16 TYR  HD 	 12 ILE  HB 	  6.5  7.39  2.17 
REMARK   3 	 16 TYR  HD 	 12 ILE  MG 	  7.0  7.39  1.14 
REMARK   3 	 16 TYR  HD 	 19 LYS QHE 	  6.5  7.39  2.91 
REMARK   3 	 16 TYR  HD 	 26 LEU  HG 	  6.5  7.39  1.28 
REMARK   3 	 16 TYR  HD 	 26 LEU QMD 	  7.0  7.39  0.34 
REMARK   3 	 16 TYR  HD 	 34 LEU QHB 	  6.5  7.39  1.71 
REMARK   3 	 16 TYR  HD 	 34 LEU QMD 	  7.0  7.39  0.80 
REMARK   3 	 16 TYR  HD 	 34 LEU QMD 	  7.0  7.39  0.92 
REMARK   3 	 16 TYR  HE 	 12 ILE  HB 	  6.5  6.73  2.17 
REMARK   3 	 16 TYR  HE 	 12 ILE  MG 	  7.0  6.73  1.14 
REMARK   3 	 16 TYR  HE 	 19 LYS QHE 	  6.5  6.73  2.91 
REMARK   3 	 16 TYR  HE 	 26 LEU  HG 	  6.5  6.73  1.28 
REMARK   3 	 16 TYR  HE 	 34 LEU QMD 	  7.0  6.73  0.80 
REMARK   3 	 16 TYR  HE 	 34 LEU QMD 	  7.0  6.73  0.92 
REMARK   3 	 16 TYR  HE 	 37 ALA  MB 	  7.0  6.73  1.54 
REMARK   3 	 16 TYR  HE 	 38 GLU QHG 	  6.5  6.73  2.12 
REMARK   3 	 17 ALA  HN 	 13 PHE  HA 	  6.5  8.36  3.54 
REMARK   3 	 17 ALA  HN 	 15 LYS  HN 	  6.5  8.36  7.75 
REMARK   3 	 17 ALA  HN 	 16 TYR  HN 	  3.2  8.36  7.22 
REMARK   3 	 17 ALA  HN 	 18 ALA  HN 	  3.2  8.36  6.91 
REMARK   3 	 17 ALA  HN 	 26 LEU QMD 	  3.7  8.36  0.34 
REMARK   3 	 17 ALA  HA 	 26 LEU QMD 	  3.7  3.78  0.34 
REMARK   3 	 17 ALA  MB 	 26 LEU  HG 	  3.7  0.42  1.28 
REMARK   3 	 17 ALA  MB 	 26 LEU QMD 	  5.3  0.42  0.73 
REMARK   3 	 17 ALA  MB 	 18 ALA  MB 	  7.5  0.42  1.42 
REMARK   3 	 18 ALA  HN 	 14 GLU  HA 	  6.5  6.91  3.75 
REMARK   3 	 18 ALA  HN 	 15 LYS  HA 	  6.5  6.91  3.82 
REMARK   3 	 15 ALA  HA 	 23 PRO QHB 	  4.3  4.30  2.02 
REMARK   3 	 18 ALA  HA 	 23 PRO QHB 	  3.2  4.30  2.22 
REMARK   3 	 19 LYS  HN 	 19 LYS QHB 	  3.2  7.17  2.17 
REMARK   3 	 19 LYS  HA 	 19 LYS QHG 	  3.2  3.85  1.47 
REMARK   3 	 20 GLU  HN 	 18 ALA  HN 	  6.5  9.70  6.91 
REMARK   3 	 20 GLU  HN 	 19 LYS  HN 	  3.2  9.70  7.17 
REMARK   3 	 20 GLU  HN 	 19 LYS QHB 	  3.2  9.70  1.90 
REMARK   3 	 20 GLU  HN 	 19 LYS QHB 	  3.2  9.70  2.17 
REMARK   3 	 20 GLU  HN 	 20 GLU QHG 	  3.2  9.70  2.22 
REMARK   3 	 20 GLU  HN 	 30 GLU QHB 	  6.5  9.70  2.34 
REMARK   3 	 20 GLU  HA 	 20 GLU QHG 	  3.2  4.72  2.22 
REMARK   3 	 21 GLY  HN 	 20 GLU QHB 	  3.2  9.01  1.88 
REMARK   3 	 22 ASP  HN 	 22 ASP QHB 	  3.2  8.32  2.63 
REMARK   3 	 22 ASP  HN 	 22 ASP QHB 	  3.2  8.32  2.86 
REMARK   3 	 22 ASP  HA 	 23 PRO QHB 	  6.5  4.68  2.02 
REMARK   3 	 22 ASP  HA 	 23 PRO QHB 	  6.5  4.68  2.22 
REMARK   3 	 22 ASP  HA 	 23 PRO QHG 	  6.5  4.68  1.87 
REMARK   3 	 22 ASP  HA 	 23 PRO QHG 	  6.5  4.68  2.07 
REMARK   3 	 22 ASP  HA 	 23 PRO QHD 	  3.2  4.68  3.98 
REMARK   3 	 23 PRO  HA 	 17 ALA  MB 	  3.7  4.80  0.42 
REMARK   3 	 23 PRO  HA 	 18 ALA  HA 	  3.2  4.80  4.30 
REMARK   3 	 23 PRO  HA 	 18 ALA  MB 	  3.7  4.80  1.42 
REMARK   3 	 24 ASN  HN 	 17 ALA  MB 	  7.0  9.01  0.42 
REMARK   3 	 24 ASN  HN 	 23 PRO QHD 	  4.3  9.01  3.98 
REMARK   3 	 24 ASN  HN 	 24 ASN QHB 	  3.2  9.01  2.70 
REMARK   3 	 24 ASN  HN 	 25 GLN  HN 	  3.2  9.01  7.23 
REMARK   3 	 24 ASN  HA 	 17 ALA  MB 	  3.7  4.96  0.42 
REMARK   3 	 25 GLN  HN 	 17 ALA  MB 	  3.7  7.23  0.42 
REMARK   3 	 25 GLN  HA 	 17 ALA  MB 	  3.7  5.11  0.42 
REMARK   3 	 25 GLN  HA 	 25 GLN QHG 	  3.2  5.11  2.11 
REMARK   3 	 25 GLN  HA 	 25 GLN QHG 	  4.3  5.11  2.26 
REMARK   3 	 25 GLN  HA 	 26 LEU QMD 	  7.0  5.11  0.73 
REMARK   3 	 25 GLN  HA 	 65 SER  HA 	  3.2  5.11  4.88 
REMARK   3 	 26 LEU  HN 	 25 GLN  HA 	  3.2  9.55  5.11 
REMARK   3 	 26 LEU  HN 	 26 LEU QHB 	  3.2  9.55  2.07 
REMARK   3 	 26 LEU  HN 	 26 LEU  HG 	  3.2  9.55  1.28 
REMARK   3 	 26 LEU  HN 	 65 SER  HA 	  6.5  9.55  4.88 
REMARK   3 	 26 LEU  HN 	 65 SER QHB 	  6.5  9.55  4.22 
REMARK   3 	 26 LEU  HA 	 17 ALA  HA 	  3.2  5.48  3.78 
REMARK   3 	 26 LEU  HA 	 17 ALA  MB 	  3.7  5.48  0.42 
REMARK   3 	 26 LEU  HA 	 25 GLN QHB 	  3.2  5.48  1.83 
REMARK   3 	 26 LEU  HA 	 26 LEU  HG 	  3.2  5.48  1.28 
REMARK   3 	 26 LEU  HA 	 27 SER  HA 	  6.5  5.48  4.81 
REMARK   3 	 26 LEU  HA 	 27 SER QHB 	  6.5  5.48  4.18 
REMARK   3 	 26 LEU QMD 	 12 ILE  MG 	  7.5  0.34  1.14 
REMARK   3 	 26 LEU QMD 	 16 TYR QHB 	  4.8  0.34  2.42 
REMARK   3 	 26 LEU QMD 	 16 TYR QHB 	  4.8  0.34  2.80 
REMARK   3 	 26 LEU QMD 	 17 ALA  MB 	  5.3  0.34  0.42 
REMARK   3 	 26 LEU QMD 	 31 LEU QMD 	  5.3  0.34  1.08 
REMARK   3 	 26 LEU QMD 	 34 LEU QMD 	  4.2  0.34  0.80 
REMARK   3 	 26 LEU QMD 	 34 LEU QMD 	  7.5  0.34  0.92 
REMARK   3 	 26 LEU QMD 	 64 VAL  HB 	  3.7  0.34  2.34 
REMARK   3 	 26 LEU QMD 	 64 VAL QMG 	  5.3  0.34  1.24 
REMARK   3 	 26 LEU QMD 	 72 LEU QMD 	  5.3  0.34  0.69 
REMARK   3 	 26 LEU QMD 	 31 LEU QMD 	  5.3  0.73  1.08 
REMARK   3 	 26 LEU QMD 	 31 LEU QMD 	  5.3  0.73  1.12 
REMARK   3 	 26 LEU QMD 	 64 VAL QMG 	  5.3  0.73  1.24 
REMARK   3 	 27 SER  HN 	 17 ALA  HA 	  6.5 10.09  3.78 
REMARK   3 	 27 SER  HN 	 17 ALA  MB 	  7.0 10.09  0.42 
REMARK   3 	 27 SER  HN 	 26 LEU  HA 	  3.2 10.09  5.48 
REMARK   3 	 27 SER  HN 	 30 GLU  HA 	  6.5 10.09  3.90 
REMARK   3 	 27 SER  HA 	 64 VAL  HB 	  6.5  4.81  2.34 
REMARK   3 	 28 LYS  HN 	 27 SER QHB 	  3.2  8.71  4.35 
REMARK   3 	 28 LYS  HN 	 28 LYS QHB 	  3.2  8.71  0.45 
REMARK   3 	 28 LYS  HN 	 28 LYS QHB 	  3.2  8.71  1.29 
REMARK   3 	 28 LYS  HN 	 29 GLU  HN 	  3.2  8.71  7.98 
REMARK   3 	 28 LYS  HN 	 30 GLU  HN 	  6.5  8.71  7.73 
REMARK   3 	 28 LYS  HA 	 28 LYS QHG 	  3.2  3.45  0.65 
REMARK   3 	 28 LYS  HA 	 31 LEU QHB 	  4.3  3.45  1.59 
REMARK   3 	 28 LYS  HA 	 31 LEU QHB 	  3.2  3.45  2.32 
REMARK   3 	 28 LYS  HA 	 31 LEU QMD 	  3.7  3.45  1.12 
REMARK   3 	 29 GLU  HN 	 27 SER QHB 	  6.5  7.98  4.18 
REMARK   3 	 29 GLU  HN 	 27 SER QHB 	  4.3  7.98  4.35 
REMARK   3 	 29 GLU  HN 	 28 LYS QHB 	  3.2  7.98  1.29 
REMARK   3 	 29 GLU  HN 	 29 GLU QHB 	  3.2  7.98  1.83 
REMARK   3 	 29 GLU  HN 	 29 GLU QHB 	  3.2  7.98  2.00 
REMARK   3 	 29 GLU  HN 	 30 GLU  HN 	  3.2  7.98  7.73 
REMARK   3 	 29 GLU  HA 	 29 GLU QHG 	  3.2  4.01  2.14 
REMARK   3 	 29 GLU  HA 	 29 GLU QHG 	  4.3  4.01  2.37 
REMARK   3 	 30 GLU  HN 	 30 GLU QHB 	  3.2  7.73  2.34 
REMARK   3 	 30 GLU  HN 	 31 LEU  HA 	  6.5  7.73  4.06 
REMARK   3 	 30 GLU  HA 	 33 GLN QHB 	  3.2  3.90  2.18 
REMARK   3 	 30 GLU  HA 	 26 LEU QMD 	  7.0  3.90  0.34 
REMARK   3 	 31 LEU  HN 	 26 LEU QMD 	  7.0  8.82  0.34 
REMARK   3 	 31 LEU  HN 	 30 GLU  HN 	  3.2  8.82  7.73 
REMARK   3 	 31 LEU  HN 	 30 GLU QHB 	  3.2  8.82  1.86 
REMARK   3 	 31 LEU  HN 	 31 LEU QHB 	  3.2  8.82  1.59 
REMARK   3 	 31 LEU  HN 	 31 LEU QHB 	  3.2  8.82  2.32 
REMARK   3 	 31 LEU  HN 	 31 LEU  HG 	  3.2  8.82  1.77 
REMARK   3 	 31 LEU  HN 	 32 LYS  HN 	  3.2  8.82  8.41 
REMARK   3 	 31 LEU  HA 	 26 LEU QMD 	  3.7  4.06  0.34 
REMARK   3 	 31 LEU  HA 	 26 LEU QMD 	  3.7  4.06  0.73 
REMARK   3 	 31 LEU  HA 	 34 LEU QHB 	  3.2  4.06  1.18 
REMARK   3 	 31 LEU  HA 	 34 LEU QHB 	  3.2  4.06  1.71 
REMARK   3 	 32 LYS  HN 	 29 GLU  HA 	  6.5  8.41  4.01 
REMARK   3 	 32 LYS  HN 	 31 LEU QHB 	  3.2  8.41  2.32 
REMARK   3 	 32 LYS  HN 	 32 LYS QHB 	  3.2  8.41  1.85 
REMARK   3 	 32 LYS  HN 	 32 LYS QHB 	  3.2  8.41  2.09 
REMARK   3 	 32 LYS  HN 	 33 GLN  HN 	  3.2  8.41  7.79 
REMARK   3 	 32 LYS  HA 	 32 LYS QHG 	  3.2  3.61  1.18 
REMARK   3 	 32 LYS  HA 	 32 LYS QHG 	  3.2  3.61  1.33 
REMARK   3 	 32 LYS  HA 	 32 LYS QHD 	  3.2  3.61  1.63 
REMARK   3 	 32 LYS  HA 	 35 ILE  HB 	  3.2  3.61  1.90 
REMARK   3 	 32 LYS  HA 	 35 ILE QHG 	  3.2  3.61  1.77 
REMARK   3 	 32 LYS  HA 	 35 ILE  MD 	  7.0  3.61  0.75 
REMARK   3 	 32 LYS  HA 	 49 LEU QMD 	  3.7  3.61  0.94 
REMARK   3 	 33 GLN  HN 	 29 GLU  HA 	  6.5  7.79  4.01 
REMARK   3 	 33 GLN  HN 	 32 LYS QHB 	  3.2  7.79  2.09 
REMARK   3 	 33 GLN  HN 	 32 LYS QHD 	  6.5  7.79  1.63 
REMARK   3 	 33 GLN  HN 	 33 GLN QHB 	  3.2  7.79  2.18 
REMARK   3 	 33 GLN  HN 	 33 GLN QHG 	  3.2  7.79  2.68 
REMARK   3 	 33 GLN  HA 	 32 LYS QHG 	  3.2  3.87  1.18 
REMARK   3 	 33 GLN  HA 	 33 GLN QHG 	  3.2  3.87  2.43 
REMARK   3 	 33 GLN  HA 	 33 GLN QHG 	  3.2  3.87  2.68 
REMARK   3 	 33 GLN  HA 	 36 GLN QHB 	  3.2  3.87  1.95 
REMARK   3 	 33 GLN  HA 	 36 GLN QHB 	  4.3  3.87  2.10 
REMARK   3 	 34 LEU  HN 	 16 TYR  HD 	  3.2  8.02  7.39 
REMARK   3 	 34 LEU  HN 	 26 LEU QMD 	  7.0  8.02  0.34 
REMARK   3 	 34 LEU  HN 	 31 LEU  HA 	  6.5  8.02  4.06 
REMARK   3 	 34 LEU  HN 	 32 LYS  HA 	  6.5  8.02  3.61 
REMARK   3 	 34 LEU  HN 	 33 GLN  HN 	  3.2  8.02  7.79 
REMARK   3 	 34 LEU  HN 	 33 GLN QHG 	  4.3  8.02  2.43 
REMARK   3 	 34 LEU  HN 	 34 LEU QHB 	  3.2  8.02  1.18 
REMARK   3 	 34 LEU  HN 	 34 LEU QHB 	  3.2  8.02  1.71 
REMARK   3 	 34 LEU  HA 	 37 ALA  MB 	  7.0  2.33  1.54 
REMARK   3 	 35 ILE  HN 	 32 LYS  HA 	  6.5  8.83  3.61 
REMARK   3 	 35 ILE  HN 	 33 GLN  HN 	  6.5  8.83  7.79 
REMARK   3 	 35 ILE  HN 	 34 LEU  HN 	  3.2  8.83  8.02 
REMARK   3 	 35 ILE  HN 	 34 LEU  HA 	  3.2  8.83  2.33 
REMARK   3 	 35 ILE  HN 	 34 LEU QHB 	  3.2  8.83  1.71 
REMARK   3 	 35 ILE  HN 	 35 ILE  HB 	  3.2  8.83  1.90 
REMARK   3 	 35 ILE  HN 	 35 ILE QHG 	  3.2  8.83  1.22 
REMARK   3 	 35 ILE  HN 	 35 ILE QHG 	  6.5  8.83  1.77 
REMARK   3 	 35 ILE  HN 	 36 GLN  HN 	  3.2  8.83  8.38 
REMARK   3 	 35 ILE  HN 	 37 ALA  HN 	  6.5  8.83  7.44 
REMARK   3 	 35 ILE  HA 	 34 LEU QMD 	  3.7  3.46  0.92 
REMARK   3 	 35 ILE  HA 	 35 ILE QHG 	  3.2  3.46  1.22 
REMARK   3 	 35 ILE  HA 	 35 ILE QHG 	  3.2  3.46  1.77 
REMARK   3 	 35 ILE  HA 	 35 ILE  MD 	  3.7  3.46  0.75 
REMARK   3 	 36 GLN  HN 	 33 GLN  HA 	  6.5  8.38  3.87 
REMARK   3 	 36 GLN  HN 	 35 ILE  HA 	  3.2  8.38  3.46 
REMARK   3 	 36 GLN  HN 	 35 ILE  HB 	  3.2  8.38  1.90 
REMARK   3 	 36 GLN  HN 	 36 GLN QHB 	  3.2  8.38  2.10 
REMARK   3 	 36 GLN  HN 	 36 GLN QHG 	  3.2  8.38  2.53 
REMARK   3 	 36 GLN  HN 	 37 ALA  HN 	  3.2  8.38  7.44 
REMARK   3 	 36 GLN  HA 	 35 ILE  MG 	  3.7  3.78  0.89 
REMARK   3 	 36 GLN  HA 	 36 GLN QHG 	  3.2  3.78  2.32 
REMARK   3 	 36 GLN  HA 	 36 GLN QHG 	  3.2  3.78  2.53 
REMARK   3 	 36 GLN  HA 	 37 ALA  MB 	  7.0  3.78  1.54 
REMARK   3 	 36 GLN  HA 	 40 PRO QHB 	  3.2  3.78  2.45 
REMARK   3 	 36 GLN  HA 	 49 LEU QMD 	  4.8  3.78  0.94 
REMARK   3 	 37 ALA  HN 	 33 GLN  HA 	  6.5  7.44  3.87 
REMARK   3 	 37 ALA  HN 	 34 LEU  HA 	  6.5  7.44  2.33 
REMARK   3 	 38 GLU  HN 	 35 ILE  HA 	  6.5  8.21  3.46 
REMARK   3 	 38 GLU  HN 	 37 ALA  HN 	  3.2  8.21  7.44 
REMARK   3 	 38 GLU  HN 	 38 GLU QHB 	  3.2  8.21  1.31 
REMARK   3 	 38 GLU  HN 	 39 PHE  HN 	  4.3  8.21  8.38 
REMARK   3 	 38 GLU  HA 	 38 GLU QHG 	  3.2  4.33  2.12 
REMARK   3 	 39 PHE  HN 	 38 GLU  HN 	  4.3  8.38  8.21 
REMARK   3 	 39 PHE  HN 	 40 PRO QHD 	  3.2  8.38  3.13 
REMARK   3 	 39 PHE  HN 	 40 PRO QHD 	  6.5  8.38  3.51 
REMARK   3 	 39 PHE  HA 	 35 ILE  MG 	  7.0  5.25  0.89 
REMARK   3 	 39 PHE  HA 	 40 PRO QHD 	  3.2  5.25  3.13 
REMARK   3 	 39 PHE  HA 	 40 PRO QHD 	  3.2  5.25  3.51 
REMARK   3 	 39 PHE  HA 	 40 PRO QHG 	  6.5  5.25  1.95 
REMARK   3 	 39 PHE  HA 	 42 LEU QMD 	  7.0  5.25  0.79 
REMARK   3 	 39 PHE  HZ 	  9 LEU QMD 	  7.0  6.98  1.05 
REMARK   3 	 39 PHE  HZ 	 34 LEU QMD 	  7.0  6.98  0.92 
REMARK   3 	 39 PHE  HZ 	 76 ILE  MD 	  7.0  6.98  0.29 
REMARK   3 	 39 PHE  HD 	 34 LEU QMD 	  7.0  7.13  0.92 
REMARK   3 	 39 PHE  HD 	 76 ILE  MG 	  7.0  7.13  0.64 
REMARK   3 	 39 PHE  HD 	 76 ILE  MD 	  7.0  7.13  0.29 
REMARK   3 	 40 PRO  HA 	 35 ILE  MG 	  3.7  4.12  0.89 
REMARK   3 	 40 PRO  HA 	 40 PRO QHD 	  3.2  4.12  3.13 
REMARK   3 	 40 PRO  HA 	 43 LEU QMD 	  4.8  4.12  0.95 
REMARK   3 	 41 SER  HN 	 40 PRO  HA 	  3.2  8.40  4.12 
REMARK   3 	 41 SER  HN 	 31 SER QHB 	  3.2  8.40  3.98 
REMARK   3 	 41 SER  HN 	 41 SER QHB 	  4.3  8.40  3.90 
REMARK   3 	 41 SER  HN 	 42 LEU  HN 	  3.2  8.40  8.06 
REMARK   3 	 42 LEU  HN 	 35 ILE  MG 	  7.0  8.06  0.89 
REMARK   3 	 42 LEU  HN 	 39 PHE QHB 	  6.5  8.06  3.36 
REMARK   3 	 42 LEU  HN 	 42 LEU QHB 	  3.2  8.06  1.48 
REMARK   3 	 42 LEU  HN 	 42 LEU QHB 	  3.2  8.06  1.86 
REMARK   3 	 42 LEU  HN 	 42 LEU  HG 	  3.2  8.06  1.77 
REMARK   3 	 42 LEU  HN 	 43 LEU  HN 	  3.2  8.06  7.40 
REMARK   3 	 43 LEU  HN 	 43 LEU QHB 	  3.2  7.40  1.74 
REMARK   3 	 43 LEU  HN 	 43 LEU  HG 	  3.2  7.40  1.55 
REMARK   3 	 43 LEU  HA 	 43 LEU  HG 	  3.2  4.44  1.55 
REMARK   3 	 43 LEU QMD 	 48 THR  MG 	  5.3  0.79  1.38 
REMARK   3 	 44 LYS  HN 	 43 LEU  HA 	  3.2  7.35  4.44 
REMARK   3 	 44 LYS  HN 	 44 LYS QHB 	  3.2  7.35  1.73 
REMARK   3 	 44 LYS  HN 	 44 LYS QHB 	  4.3  7.35  1.97 
REMARK   3 	 45 GLY QHA 	 46 PRO QHD 	  3.2  4.12  3.57 
REMARK   3 	 45 GLY QHA 	 46 PRO QHD 	  3.2  4.12  3.74 
REMARK   3 	 45 GLY QHA 	 46 PRO QHD 	  3.2  4.22  3.74 
REMARK   3 	 45 GLY QHA 	 46 PRO QHD 	  3.2  4.22  3.57 
REMARK   3 	 45 GLY QHA 	 46 PRO QHD 	  3.2  4.22  3.74 
REMARK   3 	 47 ARG  HA 	 47 ARG QHG 	  3.2  4.64  1.65 
REMARK   3 	 48 THR  HN 	 48 THR  MG 	  3.7  8.36  1.38 
REMARK   3 	 48 THR  HA 	 51 ASP QHB 	  6.5  4.28  2.68 
REMARK   3 	 48 THR  HA 	 51 ASP QHB 	  3.2  4.28  2.88 
REMARK   3 	 49 LEU  HN 	 48 THR  HN 	  4.3  8.82  8.36 
REMARK   3 	 49 LEU  HN 	 48 THR  HA 	  3.2  8.82  4.28 
REMARK   3 	 49 LEU  HN 	 49 LEU QHB 	  3.2  8.82  1.83 
REMARK   3 	 49 LEU  HN 	 50 ASP  HN 	  4.3  8.82  8.03 
REMARK   3 	 49 LEU  HA 	 49 LEU  HG 	  3.2  3.99  1.66 
REMARK   3 	 50 ASP  HN 	 49 LEU QHB 	  3.2  8.03  1.83 
REMARK   3 	 50 ASP  HN 	 50 ASP QHB 	  3.2  8.03  2.55 
REMARK   3 	 50 ASP  HN 	 50 ASP QHB 	  4.3  8.03  2.68 
REMARK   3 	 50 ASP  HN 	 51 ASP  HN 	  3.2  8.03  7.89 
REMARK   3 	 50 ASP  HA 	 48 THR  MG 	  3.7  4.22  1.38 
REMARK   3 	 50 ASP  HA 	 53 PHE QHB 	  3.2  4.22  2.99 
REMARK   3 	 50 ASP  HA 	 53 PHE QHB 	  3.2  4.22  3.22 
REMARK   3 	 51 ASP  HN 	 49 LEU  HA 	  6.5  7.89  3.99 
REMARK   3 	 51 ASP  HN 	 50 ASP QHB 	  3.2  7.89  2.55 
REMARK   3 	 51 ASP  HN 	 51 ASP QHB 	  3.2  7.89  2.88 
REMARK   3 	 51 ASP  HN 	 52 LEU QHB 	  6.5  7.89  1.76 
REMARK   3 	 51 ASP  HN 	 52 LEU QMD 	  7.0  7.89  0.80 
REMARK   3 	 51 ASP  HA 	 54 GLN QHB 	  3.2  4.35  2.21 
REMARK   3 	 52 LEU  HN 	 49 LEU  HA 	  6.5  8.39  3.99 
REMARK   3 	 52 LEU  HN 	 51 ASP  HN 	  3.2  8.39  7.89 
REMARK   3 	 52 LEU  HN 	 52 LEU QHB 	  3.2  8.39  1.76 
REMARK   3 	 52 LEU  HN 	 52 LEU  HG 	  3.2  8.39  1.60 
REMARK   3 	 53 PHE  HN 	 31 LEU QMD 	  7.0  8.98  1.12 
REMARK   3 	 53 PHE  HN 	 49 LEU  HA 	  6.5  8.98  3.99 
REMARK   3 	 53 PHE  HN 	 50 ASP  HA 	  6.5  8.98  4.22 
REMARK   3 	 53 PHE  HN 	 52 LEU  HN 	  3.2  8.98  8.39 
REMARK   3 	 53 PHE  HN 	 52 LEU  HG 	  3.2  8.98  1.60 
REMARK   3 	 53 PHE  HN 	 53 PHE QHB 	  3.2  8.98  2.99 
REMARK   3 	 53 PHE  HN 	 53 PHE QHB 	  3.2  8.98  3.22 
REMARK   3 	 53 PHE  HN 	 54 GLN  HN 	  3.2  8.98  7.84 
REMARK   3 	 53 PHE  HN 	 55 GLU  HN 	  6.5  8.98  7.67 
REMARK   3 	 53 PHE  HA 	 31 LEU QMD 	  3.7  3.64  1.12 
REMARK   3 	 53 PHE  HA 	 56 LEU QHB 	  3.2  3.64  1.64 
REMARK   3 	 53 PHE  HA 	 56 LEU  HG 	  6.5  3.64  2.00 
REMARK   3 	 53 PHE  HA 	 56 LEU QMD 	  3.7  3.64  0.82 
REMARK   3 	 54 GLN  HN 	 51 ASP  HA 	  6.5  7.84  4.35 
REMARK   3 	 54 GLN  HN 	 53 PHE QHB 	  3.2  7.84  3.22 
REMARK   3 	 54 GLN  HN 	 54 GLN QHB 	  3.2  7.84  2.21 
REMARK   3 	 54 GLN  HN 	 55 GLU  HN 	  3.2  7.84  7.67 
REMARK   3 	 54 GLN  HA 	 54 GLN QHG 	  3.2  3.97  2.46 
REMARK   3 	 54 GLN  HA 	 54 GLN QHG 	  3.2  3.97  2.56 
REMARK   3 	 54 GLN  HA 	 64 VAL QMG 	  7.0  3.97  0.51 
REMARK   3 	 54 GLN  HA 	 64 VAL QMG 	  7.0  3.97  1.24 
REMARK   3 	 55 GLU  HN 	 52 LEU  HA 	  4.3  7.67  4.13 
REMARK   3 	 55 GLU  HN 	 54 GLN QHB 	  3.2  7.67  2.21 
REMARK   3 	 55 GLU  HN 	 55 GLU QHB 	  3.2  7.67  2.06 
REMARK   3 	 55 GLU  HA 	 55 GLU QHG 	  3.2  3.88  1.97 
REMARK   3 	 55 GLU  HA 	 55 GLU QHG 	  3.2  3.88  2.26 
REMARK   3 	 56 LEU  HN 	 53 PHE  HA 	  6.5  7.93  3.64 
REMARK   3 	 56 LEU  HN 	 55 GLU  HN 	  3.2  7.93  7.67 
REMARK   3 	 56 LEU  HN 	 56 LEU QHB 	  3.2  7.93  1.64 
REMARK   3 	 56 LEU  HN 	 56 LEU  HG 	  3.2  7.93  2.00 
REMARK   3 	 56 LEU  HN 	 64 VAL QMG 	  7.0  7.93  0.51 
REMARK   3 	 56 LEU  HA 	 56 LEU  HG 	  3.2  4.15  2.00 
REMARK   3 	 56 LEU  HA 	 64 VAL QMG 	  3.7  4.15  0.51 
REMARK   3 	 56 LEU  HA 	 71 VAL QMG 	  4.8  4.15  1.01 
REMARK   3 	 57 ASP  HN 	 54 GLN  HA 	  4.3  7.93  3.97 
REMARK   3 	 57 ASP  HN 	 57 ASP QHB 	  3.2  7.93  1.57 
REMARK   3 	 57 ASP  HN 	 57 ASP QHB 	  3.2  7.93  2.48 
REMARK   3 	 57 ASP  HA 	 63 GLU QHB 	  3.2  4.55  1.90 
REMARK   3 	 57 ASP  HA 	 64 VAL QMG 	  3.7  4.55  0.51 
REMARK   3 	 57 ASP  HA 	 64 VAL QMG 	  4.8  4.55  1.24 
REMARK   3 	 58 LYS  HN 	 57 ASP  HA 	  3.2  8.05  4.55 
REMARK   3 	 58 LYS  HN 	 68 GLU QHB 	  4.3  8.05  2.38 
REMARK   3 	 58 LYS  HN 	 68 GLU QHB 	  6.5  8.05  2.56 
REMARK   3 	 59 ASN  HN 	 58 LYS QHB 	  3.2  7.92  1.85 
REMARK   3 	 59 ASN  HN 	 60 GLY  HN 	  3.2  7.92  7.58 
REMARK   3 	 60 GLY  HN 	 58 LYS  HA 	  6.5  7.58  4.04 
REMARK   3 	 61 ASP  HN 	 60 GLY  HN 	  3.2  8.22  7.58 
REMARK   3 	 61 ASP  HN 	 61 ASP QHB 	  3.2  8.22  2.46 
REMARK   3 	 62 GLY  HN 	 60 GLY  HN 	  6.5 10.48  7.58 
REMARK   3 	 62 GLY  HN 	 60 GLY QHA 	  6.5 10.48  3.83 
REMARK   3 	 62 GLY  HN 	 61 ASP  HN 	  3.2 10.48  8.22 
REMARK   3 	 62 GLY  HN 	 63 GLU  HN 	  3.2 10.48  7.77 
REMARK   3 	 62 GLY  HN 	 64 VAL  HN 	  6.5 10.48 10.38 
REMARK   3 	 63 GLU  HN 	 61 ASP  HN 	  6.5  7.77  8.22 
REMARK   3 	 63 GLU  HN 	 63 GLU QHB 	  3.2  7.77  1.44 
REMARK   3 	 63 GLU  HA 	 26 LEU QMD 	  7.0  5.13  0.34 
REMARK   3 	 63 GLU  HA 	 27 SER  HA 	  3.2  5.13  4.81 
REMARK   3 	 64 VAL  HN 	 25 GLN QHB 	  6.5 10.38  2.01 
REMARK   3 	 64 VAL  HN 	 26 LEU  HN 	  3.2 10.38  9.55 
REMARK   3 	 64 VAL  HN 	 26 LEU QHB 	  6.5 10.38  1.55 
REMARK   3 	 64 VAL  HN 	 26 LEU QHB 	  6.5 10.38  2.07 
REMARK   3 	 64 VAL  HN 	 63 GLU  HA 	  3.2 10.38  5.13 
REMARK   3 	 64 VAL  HN 	 64 VAL  HB 	  3.2 10.38  2.34 
REMARK   3 	 64 VAL  HA 	 65 SER QHB 	  6.5  5.11  4.22 
REMARK   3 	 64 VAL  HA 	 65 SER QHB 	  4.3  5.11  4.53 
REMARK   3 	 64 VAL QMG 	 56 LEU QHB 	  4.8  0.51  1.14 
REMARK   3 	 64 VAL QMG 	 56 LEU QHB 	  4.8  0.51  1.64 
REMARK   3 	 64 VAL QMG 	 56 LEU QMD 	  5.3  0.51  0.73 
REMARK   3 	 64 VAL QMG 	 56 LEU QMD 	  5.3  0.51  0.82 
REMARK   3 	 64 VAL QMG 	 56 LEU  HG 	  7.0  0.51  2.00 
REMARK   3 	 64 VAL QMG 	 57 ASP QHB 	  4.8  0.51  1.57 
REMARK   3 	 64 VAL QMG 	 57 ASP QHB 	  7.0  0.51  2.48 
REMARK   3 	 64 VAL QMG 	 26 LEU QMD 	  5.3  1.24  1.08 
REMARK   3 	 64 VAL QMG 	 26 LEU QMD 	  5.3  1.24  1.12 
REMARK   3 	 64 VAL QMG 	 56 LEU QMD 	  4.2  1.24  0.73 
REMARK   3 	 65 SER  HN 	 64 VAL  HA 	  3.2  9.55  5.12 
REMARK   3 	 65 SER  HN 	 68 GLU  HN 	  6.5  9.55  7.98 
REMARK   3 	 65 SER  HN 	 68 GLU  HA 	  6.5  9.55  4.07 
REMARK   3 	 65 SER  HN 	 68 GLU QHB 	  3.2  9.55  2.56 
REMARK   3 	 65 SER  HN 	 69 PHE  HN 	  6.5  9.55  8.91 
REMARK   3 	 65 SER  HA 	 25 GLN QHB 	  4.3  4.88  1.83 
REMARK   3 	 65 SER  HA 	 25 GLN QHB 	  3.2  4.88  2.01 
REMARK   3 	 65 SER  HA 	 25 GLN QHG 	  4.3  4.88  2.11 
REMARK   3 	 65 SER  HA 	 25 GLN QHG 	  3.2  4.88  2.26 
REMARK   3 	 65 SER  HA 	 64 VAL QMG 	  7.0  4.88  1.24 
REMARK   3 	 66 PHE  HN 	 13 PHE  HZ 	  4.3  9.61  7.62 
REMARK   3 	 66 PHE  HN 	 65 SER  HA 	  3.2  9.61  4.88 
REMARK   3 	 66 PHE  HN 	 65 SER QHB 	  3.2  9.61  4.53 
REMARK   3 	 66 PHE  HN 	 66 PHE QHB 	  3.2  9.61  2.43 
REMARK   3 	 66 PHE  HN 	 66 PHE QHB 	  3.2  9.61  2.65 
REMARK   3 	 66 PHE  HN 	 67 GLU  HN 	  3.2  9.61  8.47 
REMARK   3 	 66 PHE  HD 	 10 LYS  HA 	  6.5  6.49  3.97 
REMARK   3 	 66 PHE  HD 	 13 PHE  HA 	  6.5  6.49  3.54 
REMARK   3 	 66 PHE  HD 	 13 PHE QHB 	  6.5  6.49  2.71 
REMARK   3 	 66 PHE  HD 	 67 GLU  HA 	  6.5  6.49  3.86 
REMARK   3 	 66 PHE  HD 	 69 PHE QHB 	  6.5  6.49  3.14 
REMARK   3 	 66 PHE  HD 	 69 PHE  HD 	  6.5  6.49  6.91 
REMARK   3 	 66 PHE  HZ 	 10 LYS QHB 	  6.5  7.35  1.76 
REMARK   3 	 66 PHE  HZ 	 10 LYS QHB 	  6.5  7.35  1.94 
REMARK   3 	 66 PHE  HZ 	 10 LYS QHG 	  6.5  7.35  0.80 
REMARK   3 	 66 PHE  HZ 	 10 LYS QHG 	  6.5  7.35  1.19 
REMARK   3 	 67 GLU  HN 	 66 PHE QHB 	  3.2  8.47  2.65 
REMARK   3 	 67 GLU  HN 	 67 GLU QHB 	  3.2  8.47  1.89 
REMARK   3 	 67 GLU  HN 	 67 GLU QHB 	  3.2  8.47  2.05 
REMARK   3 	 67 GLU  HN 	 67 GLU QHG 	  3.2  8.47  2.25 
REMARK   3 	 67 GLU  HN 	 68 GLU  HN 	  4.3  8.47  7.98 
REMARK   3 	 68 GLU  HN 	 68 GLU QHB 	  3.2  7.98  2.56 
REMARK   3 	 68 GLU  HA 	 68 GLU QHG 	  3.2  4.07  2.60 
REMARK   3 	 68 GLU  HA 	 71 VAL QMG 	  3.7  4.07  1.01 
REMARK   3 	 69 PHE  HN 	 56 LEU QMD 	  7.0  8.91  0.73 
REMARK   3 	 69 PHE  HN 	 56 LEU QMD 	  7.0  8.91  0.82 
REMARK   3 	 69 PHE  HN 	 64 VAL QMG 	  3.7  8.91  1.24 
REMARK   3 	 69 PHE  HN 	 66 PHE  HA 	  6.5  8.91  3.32 
REMARK   3 	 69 PHE  HN 	 66 PHE  HD 	  6.5  8.91  6.49 
REMARK   3 	 69 PHE  HN 	 67 GLU  HN 	  6.5  8.91  8.47 
REMARK   3 	 69 PHE  HN 	 67 GLU  HA 	  6.5  8.91  3.86 
REMARK   3 	 69 PHE  HN 	 68 GLU  HN 	  3.2  8.91  7.98 
REMARK   3 	 69 PHE  HN 	 68 GLU QHB 	  3.2  8.91  2.56 
REMARK   3 	 69 PHE  HN 	 70 GLN  HN 	  3.2  8.91  7.60 
REMARK   3 	 69 PHE  HN 	 69 PHE QHB 	  3.2  8.91  3.14 
REMARK   3 	 69 PHE  HN 	 69 PHE QHB 	  3.2  8.91  3.30 
REMARK   3 	 69 PHE  HD 	 26 LEU QMD 	  7.0  6.91  0.34 
REMARK   3 	 69 PHE  HD 	 34 LEU QMD 	  7.0  6.91  0.80 
REMARK   3 	 69 PHE  HD 	 34 LEU QMD 	  7.0  6.91  0.92 
REMARK   3 	 69 PHE  HD 	 56 LEU QMD 	  7.0  6.91  0.73 
REMARK   3 	 69 PHE  HD 	 64 VAL QMG 	  7.0  6.91  1.24 
REMARK   3 	 69 PHE  HD 	 70 GLN  HA 	  6.5  6.91  3.44 
REMARK   3 	 69 PHE  HD 	 72 LEU QMD 	  7.0  6.91  0.48 
REMARK   3 	 69 PHE  HD 	 73 VAL QMG 	  7.0  6.91  0.60 
REMARK   3 	 69 PHE  HE 	  9 LEU  HA 	  6.5  7.20  4.25 
REMARK   3 	 69 PHE  HE 	  9 LEU QHB 	  6.5  7.20  1.71 
REMARK   3 	 69 PHE  HE 	  9 LEU QHB 	  6.5  7.20  2.19 
REMARK   3 	 69 PHE  HE 	  9 LEU QMD 	  7.0  7.20  0.98 
REMARK   3 	 69 PHE  HE 	  9 LEU QMD 	  7.0  7.20  1.05 
REMARK   3 	 69 PHE  HE 	 12 ILE  MG 	  7.0  7.20  1.14 
REMARK   3 	 69 PHE  HE 	 34 LEU QMD 	  7.0  7.20  0.80 
REMARK   3 	 69 PHE  HE 	 34 LEU QMD 	  7.0  7.20  0.92 
REMARK   3 	 69 PHE  HE 	 56 LEU QMD 	  7.0  7.20  0.73 
REMARK   3 	 69 PHE  HE 	 64 VAL QMG 	  7.0  7.20  1.24 
REMARK   3 	 69 PHE  HE 	 72 LEU QMD 	  7.0  7.20  0.48 
REMARK   3 	 69 PHE  HE 	 73 VAL QMG 	  7.0  7.20  0.60 
REMARK   3 	 70 GLN  HN 	 66 PHE  HA 	  6.5  7.60  3.32 
REMARK   3 	 70 GLN  HN 	 67 GLU  HA 	  6.5  7.60  3.86 
REMARK   3 	 70 GLN  HN 	 70 GLN QHB 	  3.2  7.60  1.89 
REMARK   3 	 70 GLN  HN 	 70 GLN QHG 	  3.2  7.60  2.30 
REMARK   3 	 70 GLN  HN 	 71 VAL  HN 	  3.2  7.60  7.07 
REMARK   3 	 70 GLN  HA 	 73 VAL QMG 	  3.7  3.44  0.60 
REMARK   3 	 70 GLN  HA 	 73 VAL QMG 	  4.8  3.44  0.74 
REMARK   3 	 71 VAL  HN 	 69 PHE  HA 	  6.5  7.07  3.97 
REMARK   3 	 71 VAL  HN 	 71 VAL  HB 	  3.2  7.07  1.96 
REMARK   3 	 71 VAL  HA 	 74 LYS QHB 	  3.2  3.54  1.75 
REMARK   3 	 71 VAL  HA 	 74 LYS QHB 	  4.3  3.54  1.83 
REMARK   3 	 71 VAL  HA 	 74 LYS QHG 	  6.5  3.54  1.38 
REMARK   3 	 71 VAL  HA 	 74 LYS QHG 	  6.5  3.54  1.45 
REMARK   3 	 72 LEU  HN 	 69 PHE  HA 	  6.5  7.15  3.97 
REMARK   3 	 72 LEU  HA 	 72 LEU  HG 	  3.2  3.72  1.21 
REMARK   3 	 72 LEU  HA 	 72 LEU QMD 	  3.7  3.72  0.69 
REMARK   3 	 72 LEU QMD 	 31 LEU QMD 	  5.3  0.48  1.08 
REMARK   3 	 72 LEU QMD 	 49 LEU QMD 	  5.3  0.48  0.94 
REMARK   3 	 72 LEU QMD 	 52 LEU QMD 	  4.2  0.48  0.81 
REMARK   3 	 72 LEU QMD 	 73 VAL QMG 	  5.3  0.48  0.74 
REMARK   3 	 72 LEU QMD 	 31 LEU QMD 	  5.3  0.69  1.08 
REMARK   3 	 72 LEU QMD 	 31 LEU QMD 	  5.3  0.69  1.12 
REMARK   3 	 72 LEU QMD 	 71 VAL QMG 	  5.3  0.69  0.81 
REMARK   3 	 73 VAL  HN 	 70 GLN  HA 	  6.5  6.84  3.44 
REMARK   3 	 73 VAL  HN 	 73 VAL  HB 	  3.2  6.84  1.97 
REMARK   3 	 73 VAL  HN 	 72 LEU QHB 	  3.2  6.84  1.32 
REMARK   3 	 73 VAL  HN 	 72 LEU  HG 	  4.3  6.84  1.21 
REMARK   3 	 73 VAL  HA 	 76 ILE  HB 	  4.3  3.15  1.84 
REMARK   3 	 73 VAL  HA 	 76 ILE QHG 	  3.2  3.15  0.83 
REMARK   3 	 73 VAL  HA 	 76 ILE QHG 	  3.2  3.15  1.22 
REMARK   3 	 73 VAL  HA 	 76 ILE  MD 	  3.7  3.15  0.29 
REMARK   3 	 73 VAL QMG 	  9 LEU QHB 	  7.0  0.60  1.71 
REMARK   3 	 73 VAL QMG 	  9 LEU QMD 	  5.3  0.60  0.98 
REMARK   3 	 73 VAL QMG 	  9 LEU QMD 	  5.3  0.60  1.05 
REMARK   3 	 74 LYS  HN 	 70 GLN  HA 	  6.5  7.44  3.44 
REMARK   3 	 74 LYS  HN 	 71 VAL  HA 	  6.5  7.44  3.54 
REMARK   3 	 74 LYS  HN 	 73 VAL  HN 	  3.2  7.44  6.84 
REMARK   3 	 74 LYS  HN 	 73 VAL  HB 	  3.2  7.44  1.97 
REMARK   3 	 74 LYAS  HN 	 74 LYS QHB 	  3.2  7.44  1.75 
REMARK   3 	 74 LYS  HN 	 74 LYS QHB 	  3.2  7.44  1.83 
REMARK   3 	 74 LYS  HA 	 74 LYS QHG 	  3.2  4.00  1.38 
REMARK   3 	 74 LYS  HA 	 74 LYS QHG 	  3.2  4.00  1.45 
REMARK   3 	 74 LYS  HA 	 74 LYS QHD 	  3.2  4.00  1.58 
REMARK   3 	 75 LYS  HN 	 72 LEU  HA 	  6.5  7.48  3.72 
REMARK   3 	 75 LYS  HN 	 73 VAL  HA 	  6.5  7.48  3.15 
REMARK   3 	 75 LYS  HN 	 75 LYS QHB 	  3.2  7.48  1.83 
REMARK   3 	 75 LYS  HN 	 75 LYS QHG 	  3.2  7.48  1.47 
REMARK   3 	 75 LYS  HN 	 75 LYS QHD 	  3.2  7.48  1.42 
REMARK   3 	 76 ILE  HN 	 73 VAL  HA 	  6.5  7.41  3.15 
REMARK   3 	 76 ILE  HN 	 76 ILE QHG 	  3.2  7.41  1.22 
REMARK   3 	 76 ILE  HA 	 76 ILE QHG 	  3.2  4.07  0.83 
REMARK   3 	 76 ILE  HA 	 76 ILE QHG 	  3.2  4.07  1.22 
REMARK   3 	 76 ILE  MD 	  9 LEU QMD 	  5.3  0.29  0.98 
REMARK   3 	 76 ILE  MD 	  9 LEU QMD 	  5.3  0.29  1.05 
REMARK   3 	 76 ILE  MD 	 73 VAL QMG 	  5.3  0.29  0.74 
REMARK   3 	 77 SER  HN 	 76 ILE  HN 	  4.3  7.69  7.41 
REMARK   3 	 77 SER  HA 	 78 GLN QHG 	  3.2  4.51  2.30 
REMARK   3 	 78 GLN  HA 	 78 GLN QHG 	  3.2  4.14  2.30 
REMARK   3 	 78 GLN  HA 	 78 GLN QHG 	  3.2  4.14  2.30 

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 628 H/Q atoms
  Start of MODEL    1
    1   1H    SER  -2           1H       SER   1   1.687  17.869   5.302
    2   2H    SER  -2           2H       SER   1   0.921  17.033   4.146
    3   3H    SER  -2           3H       SER   1   1.302  18.655   3.889
    4    HA   SER  -2           HA       SER   1  -0.232  19.259   5.673
    5   1HB   SER  -2          1HB       SER   1  -1.308  18.936   3.457
    6   2HB   SER  -2          2HB       SER   1  -1.508  17.202   3.784
    7    HG   SER  -2           HG       SER   1  -3.372  18.605   4.239
    8    H    ALA  -1           H        ALA   2  -2.391  17.181   6.274
    9    HA   ALA  -1           HA       ALA   2  -1.427  16.067   8.702
   10   1HB   ALA  -1          2HB       ALA   2  -3.574  14.955   6.819
   11   2HB   ALA  -1          3HB       ALA   2  -3.329  14.474   8.511
   12   3HB   ALA  -1          1HB       ALA   2  -3.828  16.133   8.125
   13    H    GLN   0           H        GLN   3  -1.690  14.669   5.449
   14    HA   GLN   0           HA       GLN   3   0.455  12.680   5.999
   15   1HB   GLN   0          1HB       GLN   3  -1.425  13.037   3.613
   16   2HB   GLN   0          2HB       GLN   3  -0.176  11.793   3.753
   17   1HG   GLN   0          1HG       GLN   3  -2.588  12.108   5.596
   18   2HG   GLN   0          2HG       GLN   3  -2.429  10.924   4.295
   19   1HE2  GLN   0          1HE2      GLN   3  -1.562   9.332   7.612
   20   2HE2  GLN   0          2HE2      GLN   3  -2.946  10.279   7.078
   21    H    LYS   1           H        LYS   4   2.416  12.886   4.799
   22    HA   LYS   1           HA       LYS   4   2.918  15.678   3.931
   23   1HB   LYS   1          1HB       LYS   4   4.762  13.456   4.800
   24   2HB   LYS   1          2HB       LYS   4   5.229  15.070   4.246
   25   1HG   LYS   1          1HG       LYS   4   5.330  14.950   6.640
   26   2HG   LYS   1          2HG       LYS   4   4.134  16.140   6.142
   27   1HD   LYS   1          1HD       LYS   4   2.319  14.713   6.843
   28   2HD   LYS   1          2HD       LYS   4   3.385  13.296   6.978
   29   1HE   LYS   1          1HE       LYS   4   4.559  14.436   8.875
   30   2HE   LYS   1          2HE       LYS   4   3.460  15.818   8.696
   31   1HZ   LYS   1          1HZ       LYS   4   1.635  14.283   9.116
   32   2HZ   LYS   1          2HZ       LYS   4   2.712  13.067   9.386
   33   3HZ   LYS   1          3HZ       LYS   4   2.697  14.377  10.385
   34    H    SER   2           H        SER   5   3.204  16.133   1.870
   35    HA   SER   2           HA       SER   5   3.064  14.081  -0.153
   36   1HB   SER   2          1HB       SER   5   3.611  17.033  -0.606
   37   2HB   SER   2          2HB       SER   5   2.684  15.922  -1.622
   38    HG   SER   2           HG       SER   5   1.131  15.850   0.102
   39    HA   PRO   3           HA       PRO   6   7.442  13.617  -0.822
   40   1HB   PRO   3          1HB       PRO   6   7.657  13.498  -3.597
   41   2HB   PRO   3          2HB       PRO   6   7.129  12.158  -2.543
   42   1HG   PRO   3          1HG       PRO   6   5.391  14.088  -4.089
   43   2HG   PRO   3          2HG       PRO   6   5.222  12.317  -3.950
   44   1HD   PRO   3          1HD       PRO   6   3.721  13.982  -2.445
   45   2HD   PRO   3          2HD       PRO   6   4.380  12.485  -1.729
   46    H    ALA   4           H        ALA   7   5.922  15.954  -3.121
   47    HA   ALA   4           HA       ALA   7   8.175  17.566  -3.495
   48   1HB   ALA   4          1HB       ALA   7   6.139  17.718  -4.891
   49   2HB   ALA   4          2HB       ALA   7   5.245  18.399  -3.511
   50   3HB   ALA   4          3HB       ALA   7   6.585  19.307  -4.242
   51    H    GLU   5           H        GLU   8   5.819  17.667  -1.069
   52    HA   GLU   5           HA       GLU   8   6.547  20.110   0.268
   53   1HB   GLU   5          1HB       GLU   8   4.378  18.946   0.609
   54   2HB   GLU   5          2HB       GLU   8   5.213  17.633   1.455
   55   1HG   GLU   5          1HG       GLU   8   5.961  19.279   3.184
   56   2HG   GLU   5          2HG       GLU   8   4.994  20.518   2.367
   57    H    LEU   6           H        LEU   9   7.293  16.670   1.067
   58    HA   LEU   6           HA       LEU   9   9.223  17.340   3.035
   59   1HB   LEU   6          1HB       LEU   9   8.850  14.814   1.389
   60   2HB   LEU   6          2HB       LEU   9   9.991  14.929   2.738
   61    HG   LEU   6           HG       LEU   9   7.005  15.458   3.010
   62   1HD1  LEU   6          2HD1      LEU   9   8.618  12.951   3.604
   63   2HD1  LEU   6          3HD1      LEU   9   6.930  13.195   4.071
   64   3HD1  LEU   6          1HD1      LEU   9   7.356  13.143   2.356
   65   1HD2  LEU   6          1HD2      LEU   9   9.216  15.017   5.079
   66   2HD2  LEU   6          2HD2      LEU   9   8.299  16.519   4.827
   67   3HD2  LEU   6          3HD2      LEU   9   7.485  15.093   5.447
   68    H    LYS   7           H        LYS  10   9.544  16.906  -0.313
   69    HA   LYS   7           HA       LYS  10  12.412  16.929  -0.457
   70   1HB   LYS   7          1HB       LYS  10  10.882  16.292  -2.353
   71   2HB   LYS   7          2HB       LYS  10  10.496  18.010  -2.551
   72   1HG   LYS   7          1HG       LYS  10  12.985  18.435  -2.905
   73   2HG   LYS   7          2HG       LYS  10  13.248  16.702  -2.768
   74   1HD   LYS   7          1HD       LYS  10  13.216  17.277  -5.101
   75   2HD   LYS   7          2HD       LYS  10  11.788  16.304  -4.738
   76   1HE   LYS   7          1HE       LYS  10  11.264  18.178  -6.256
   77   2HE   LYS   7          2HE       LYS  10  10.371  18.343  -4.745
   78   1HZ   LYS   7          2HZ       LYS  10  12.851  19.762  -5.444
   79   2HZ   LYS   7          3HZ       LYS  10  11.333  20.401  -5.445
   80   3HZ   LYS   7          1HZ       LYS  10  12.030  19.938  -4.030
   81    H    SER   8           H        SER  11   9.986  19.578  -0.791
   82    HA   SER   8           HA       SER  11  11.798  21.724  -1.026
   83   1HB   SER   8          1HB       SER  11   9.048  21.730   0.297
   84   2HB   SER   8          2HB       SER  11   9.946  23.142  -0.283
   85    HG   SER   8           HG       SER  11   8.978  20.966  -1.839
   86    H    ILE   9           H        ILE  12  10.250  20.401   1.952
   87    HA   ILE   9           HA       ILE  12  11.571  22.151   3.768
   88    HB   ILE   9           HB       ILE  12  10.479  19.340   4.164
   89   1HG1  ILE   9          1HG1      ILE  12   9.283  22.053   4.919
   90   2HG1  ILE   9          2HG1      ILE  12   8.875  21.208   3.430
   91   1HG2  ILE   9          1HG2      ILE  12  12.121  19.910   5.945
   92   2HG2  ILE   9          2HG2      ILE  12  11.265  21.434   6.244
   93   3HG2  ILE   9          3HG2      ILE  12  10.486  19.878   6.590
   94   1HD1  ILE   9          1HD1      ILE  12   8.094  19.242   4.775
   95   2HD1  ILE   9          2HD1      ILE  12   8.313  20.220   6.245
   96   3HD1  ILE   9          3HD1      ILE  12   7.159  20.732   5.010
   97    H    PHE  10           H        PHE  13  12.454  18.853   2.655
   98    HA   PHE  10           HA       PHE  13  14.835  18.513   4.079
   99   1HB   PHE  10          1HB       PHE  13  13.834  16.730   2.817
  100   2HB   PHE  10          2HB       PHE  13  14.046  17.585   1.295
  101    HD1  PHE  10           HD2      PHE  13  16.324  17.916   0.297
  102    HD2  PHE  10           HD1      PHE  13  15.681  15.490   3.812
  103    HE1  PHE  10           HE2      PHE  13  18.597  16.972   0.071
  104    HE2  PHE  10           HE1      PHE  13  17.843  14.344   3.385
  105    HZ   PHE  10           HZ       PHE  13  19.299  15.103   1.572
  106    H    GLU  11           H        GLU  14  14.414  19.999   0.809
  107    HA   GLU  11           HA       GLU  14  17.137  20.686   0.410
  108   1HB   GLU  11          1HB       GLU  14  14.548  21.959  -0.569
  109   2HB   GLU  11          2HB       GLU  14  16.150  22.480  -1.112
  110   1HG   GLU  11          1HG       GLU  14  16.655  20.322  -2.054
  111   2HG   GLU  11          2HG       GLU  14  15.213  19.587  -1.355
  112    H    LYS  12           H        LYS  15  14.461  22.505   1.959
  113    HA   LYS  12           HA       LYS  15  15.904  24.843   2.536
  114   1HB   LYS  12          1HB       LYS  15  13.297  23.988   3.004
  115   2HB   LYS  12          2HB       LYS  15  13.961  23.920   4.613
  116   1HG   LYS  12          1HG       LYS  15  12.933  26.049   4.285
  117   2HG   LYS  12          2HG       LYS  15  14.673  26.281   4.443
  118   1HD   LYS  12          1HD       LYS  15  13.633  27.728   2.750
  119   2HD   LYS  12          2HD       LYS  15  14.889  26.736   2.036
  120   1HE   LYS  12          1HE       LYS  15  11.942  25.930   1.917
  121   2HE   LYS  12          2HE       LYS  15  12.652  27.072   0.768
  122   1HZ   LYS  12          1HZ       LYS  15  14.260  25.399   0.172
  123   2HZ   LYS  12          2HZ       LYS  15  13.502  24.290   1.125
  124   3HZ   LYS  12          3HZ       LYS  15  12.711  24.946  -0.152
  125    OH   TYR  13           OH       TYR  16  12.854  21.174  10.523
  126    H    TYR  13           H        TYR  16  15.711  21.783   4.341
  127    HA   TYR  13           HA       TYR  16  17.260  22.723   6.617
  128   1HB   TYR  13          1HB       TYR  16  16.386  19.998   5.595
  129   2HB   TYR  13          2HB       TYR  16  17.590  20.169   6.870
  130    HD1  TYR  13           HD1      TYR  16  14.427  22.193   6.385
  131    HD2  TYR  13           HD2      TYR  16  16.522  19.247   8.799
  132    HE1  TYR  13           HE1      TYR  16  12.728  22.364   8.139
  133    HE2  TYR  13           HE2      TYR  16  15.088  19.706  10.588
  134    HH   TYR  13           HH       TYR  16  12.120  21.750  10.300
  135    H    ALA  14           H        ALA  17  18.038  20.454   3.943
  136    HA   ALA  14           HA       ALA  17  20.734  20.109   4.530
  137   1HB   ALA  14          2HB       ALA  17  19.305  20.026   1.833
  138   2HB   ALA  14          3HB       ALA  17  20.935  19.389   2.150
  139   3HB   ALA  14          1HB       ALA  17  19.543  18.681   2.986
  140    H    ALA  15           H        ALA  18  19.216  22.746   2.608
  141    HA   ALA  15           HA       ALA  18  21.691  23.839   1.720
  142   1HB   ALA  15          1HB       ALA  18  19.583  24.356   0.689
  143   2HB   ALA  15          2HB       ALA  18  19.014  25.195   2.161
  144   3HB   ALA  15          3HB       ALA  18  20.382  25.850   1.224
  145    H    LYS  16           H        LYS  19  20.530  23.740   4.976
  146    HA   LYS  16           HA       LYS  19  21.743  26.204   5.881
  147   1HB   LYS  16          1HB       LYS  19  21.172  23.603   7.361
  148   2HB   LYS  16          2HB       LYS  19  21.659  25.128   8.102
  149   1HG   LYS  16          1HG       LYS  19  19.609  26.229   7.451
  150   2HG   LYS  16          2HG       LYS  19  19.136  24.886   6.417
  151   1HD   LYS  16          1HD       LYS  19  17.873  24.817   8.513
  152   2HD   LYS  16          2HD       LYS  19  18.878  23.381   8.300
  153   1HE   LYS  16          1HE       LYS  19  18.910  24.198  10.632
  154   2HE   LYS  16          2HE       LYS  19  20.522  24.201   9.914
  155   1HZ   LYS  16          2HZ       LYS  19  18.762  26.541  10.180
  156   2HZ   LYS  16          3HZ       LYS  19  20.068  26.201  11.129
  157   3HZ   LYS  16          1HZ       LYS  19  20.278  26.547   9.532
  158    H    GLU  17           H        GLU  20  22.887  22.915   5.165
  159    HA   GLU  17           HA       GLU  20  25.560  23.522   6.285
  160   1HB   GLU  17          1HB       GLU  20  26.052  21.137   5.878
  161   2HB   GLU  17          2HB       GLU  20  24.797  21.475   7.077
  162   1HG   GLU  17          1HG       GLU  20  23.051  20.949   5.549
  163   2HG   GLU  17          2HG       GLU  20  24.205  20.810   4.191
  164    H    GLY  18           H        GLY  21  27.425  22.762   4.903
  165   1HA   GLY  18          1HA       GLY  21  27.763  24.413   2.730
  166   2HA   GLY  18          2HA       GLY  21  28.698  22.939   3.019
  167    H    ASP  19           H        ASP  22  26.769  20.960   2.605
  168    HA   ASP  19           HA       ASP  22  26.483  21.154  -0.344
  169   1HB   ASP  19          1HB       ASP  22  27.873  19.384   0.690
  170   2HB   ASP  19          2HB       ASP  22  26.404  18.725   1.440
  171    HA   PRO  20           HA       PRO  23  21.967  21.320   0.748
  172   1HB   PRO  20          1HB       PRO  23  20.997  22.246  -1.581
  173   2HB   PRO  20          2HB       PRO  23  21.963  23.277  -0.500
  174   1HG   PRO  20          1HG       PRO  23  22.967  21.748  -2.910
  175   2HG   PRO  20          2HG       PRO  23  23.184  23.488  -2.550
  176   1HD   PRO  20          1HD       PRO  23  25.066  21.628  -1.936
  177   2HD   PRO  20          2HD       PRO  23  24.772  23.020  -0.850
  178    H    ASN  21           H        ASN  24  22.921  18.840   0.617
  179    HA   ASN  21           HA       ASN  24  21.142  17.368  -1.260
  180   1HB   ASN  21          1HB       ASN  24  23.225  17.400  -2.489
  181   2HB   ASN  21          2HB       ASN  24  24.140  17.017  -1.023
  182   1HD2  ASN  21          1HD2      ASN  24  22.093  13.937  -2.871
  183   2HD2  ASN  21          2HD2      ASN  24  21.588  15.598  -3.167
  184    H    GLN  22           H        GLN  25  22.632  17.597   1.924
  185    HA   GLN  22           HA       GLN  25  21.203  15.107   2.682
  186   1HB   GLN  22          1HB       GLN  25  23.832  16.048   3.884
  187   2HB   GLN  22          2HB       GLN  25  23.043  14.549   4.191
  188   1HG   GLN  22          1HG       GLN  25  24.393  13.523   2.701
  189   2HG   GLN  22          2HG       GLN  25  23.582  14.408   1.398
  190   1HE2  GLN  22          1HE2      GLN  25  26.535  15.963   0.455
  191   2HE2  GLN  22          2HE2      GLN  25  25.080  15.097   0.013
  192    H    LEU  23           H        LEU  26  20.982  14.983   5.105
  193    HA   LEU  23           HA       LEU  26  21.435  17.595   6.252
  194   1HB   LEU  23          1HB       LEU  26  19.470  16.311   7.919
  195   2HB   LEU  23          2HB       LEU  26  19.428  17.883   7.117
  196    HG   LEU  23           HG       LEU  26  18.415  16.884   5.169
  197   1HD1  LEU  23          2HD1      LEU  26  18.279  14.434   7.059
  198   2HD1  LEU  23          3HD1      LEU  26  17.278  14.565   5.609
  199   3HD1  LEU  23          1HD1      LEU  26  19.038  14.440   5.463
  200   1HD2  LEU  23          2HD2      LEU  26  17.087  17.981   6.854
  201   2HD2  LEU  23          3HD2      LEU  26  16.207  16.643   6.118
  202   3HD2  LEU  23          1HD2      LEU  26  16.897  16.463   7.747
  203    H    SER  24           H        SER  27  22.586  17.628   8.142
  204    HA   SER  24           HA       SER  27  24.033  15.244   8.928
  205   1HB   SER  24          1HB       SER  27  24.838  16.900  10.710
  206   2HB   SER  24          2HB       SER  27  24.977  17.527   9.061
  207    HG   SER  24           HG       SER  27  23.981  19.120  10.181
  208    H    LYS  25           H        LYS  28  23.968  14.613  11.323
  209    HA   LYS  25           HA       LYS  28  21.580  13.525  12.133
  210   1HB   LYS  25          1HB       LYS  28  22.491  13.303  14.344
  211   2HB   LYS  25          2HB       LYS  28  23.499  12.721  13.004
  212   1HG   LYS  25          1HG       LYS  28  24.730  14.989  13.186
  213   2HG   LYS  25          2HG       LYS  28  23.831  15.182  14.706
  214   1HD   LYS  25          1HD       LYS  28  25.825  14.182  15.438
  215   2HD   LYS  25          2HD       LYS  28  24.700  12.813  15.282
  216   1HE   LYS  25          1HE       LYS  28  25.702  12.294  13.030
  217   2HE   LYS  25          2HE       LYS  28  26.807  13.665  13.223
  218   1HZ   LYS  25          1HZ       LYS  28  27.722  12.569  15.133
  219   2HZ   LYS  25          2HZ       LYS  28  26.684  11.299  14.955
  220   3HZ   LYS  25          3HZ       LYS  28  27.820  11.603  13.802
  221    H    GLU  26           H        GLU  29  22.884  16.575  13.303
  222    HA   GLU  26           HA       GLU  29  20.828  17.346  15.054
  223   1HB   GLU  26          1HB       GLU  29  23.091  18.489  14.675
  224   2HB   GLU  26          2HB       GLU  29  22.389  19.224  13.230
  225   1HG   GLU  26          1HG       GLU  29  20.491  19.897  15.126
  226   2HG   GLU  26          2HG       GLU  29  21.932  19.813  16.127
  227    H    GLU  27           H        GLU  30  21.148  18.064  11.533
  228    HA   GLU  27           HA       GLU  30  18.693  19.536  11.351
  229   1HB   GLU  27          1HB       GLU  30  20.400  18.151   9.267
  230   2HB   GLU  27          2HB       GLU  30  19.009  19.202   8.909
  231   1HG   GLU  27          1HG       GLU  30  20.095  21.107   9.967
  232   2HG   GLU  27          2HG       GLU  30  21.451  20.103  10.498
  233    H    LEU  28           H        LEU  31  19.500  16.087  10.672
  234    HA   LEU  28           HA       LEU  31  16.919  15.399   9.707
  235   1HB   LEU  28          1HB       LEU  31  17.812  13.372   9.402
  236   2HB   LEU  28          2HB       LEU  31  19.311  14.166   9.890
  237    HG   LEU  28           HG       LEU  31  18.865  13.349  12.251
  238   1HD1  LEU  28          2HD1      LEU  31  16.938  11.487  10.758
  239   2HD1  LEU  28          3HD1      LEU  31  17.532  11.251  12.413
  240   3HD1  LEU  28          1HD1      LEU  31  16.460  12.592  12.052
  241   1HD2  LEU  28          2HD2      LEU  31  20.488  12.415  10.513
  242   2HD2  LEU  28          3HD2      LEU  31  19.971  11.389  11.852
  243   3HD2  LEU  28          1HD2      LEU  31  19.266  11.162  10.229
  244    H    LYS  29           H        LYS  32  18.314  15.245  12.959
  245    HA   LYS  29           HA       LYS  32  16.113  14.207  14.370
  246   1HB   LYS  29          1HB       LYS  32  18.221  14.535  15.496
  247   2HB   LYS  29          2HB       LYS  32  18.214  16.266  15.159
  248   1HG   LYS  29          1HG       LYS  32  17.661  15.882  17.477
  249   2HG   LYS  29          2HG       LYS  32  16.288  16.620  16.642
  250   1HD   LYS  29          1HD       LYS  32  15.143  14.440  16.515
  251   2HD   LYS  29          2HD       LYS  32  16.584  13.607  17.138
  252   1HE   LYS  29          1HE       LYS  32  16.362  14.791  19.293
  253   2HE   LYS  29          2HE       LYS  32  14.972  15.698  18.674
  254   1HZ   LYS  29          1HZ       LYS  32  13.809  13.628  18.430
  255   2HZ   LYS  29          2HZ       LYS  32  15.102  12.783  19.007
  256   3HZ   LYS  29          3HZ       LYS  32  14.301  13.838  19.989
  257    H    GLN  30           H        GLN  33  16.903  17.664  13.675
  258    HA   GLN  30           HA       GLN  33  14.548  18.690  14.793
  259   1HB   GLN  30          1HB       GLN  33  16.371  19.715  12.585
  260   2HB   GLN  30          2HB       GLN  33  14.953  20.645  13.109
  261   1HG   GLN  30          1HG       GLN  33  15.739  20.828  15.344
  262   2HG   GLN  30          2HG       GLN  33  16.974  19.586  15.099
  263   1HE2  GLN  30          1HE2      GLN  33  19.341  21.671  13.445
  264   2HE2  GLN  30          2HE2      GLN  33  18.695  20.034  13.573
  265    H    LEU  31           H        LEU  34  15.180  17.631  11.380
  266    HA   LEU  31           HA       LEU  34  12.636  18.193  10.434
  267   1HB   LEU  31          1HB       LEU  34  14.534  17.434   8.989
  268   2HB   LEU  31          2HB       LEU  34  14.327  15.803   9.620
  269    HG   LEU  31           HG       LEU  34  12.089  15.628   8.656
  270   1HD1  LEU  31          2HD1      LEU  34  12.580  18.489   7.723
  271   2HD1  LEU  31          3HD1      LEU  34  11.318  17.432   7.049
  272   3HD1  LEU  31          1HD1      LEU  34  11.241  17.921   8.741
  273   1HD2  LEU  31          2HD2      LEU  34  14.138  15.111   7.286
  274   2HD2  LEU  31          3HD2      LEU  34  12.706  15.569   6.334
  275   3HD2  LEU  31          1HD2      LEU  34  14.009  16.744   6.586
  276    H    ILE  32           H        ILE  35  13.680  15.336  12.002
  277    HA   ILE  32           HA       ILE  35  11.200  13.916  11.940
  278    HB   ILE  32           HB       ILE  35  13.402  13.739  14.020
  279   1HG1  ILE  32          1HG1      ILE  35  13.988  13.011  11.682
  280   2HG1  ILE  32          2HG1      ILE  35  14.161  11.784  12.935
  281   1HG2  ILE  32          2HG2      ILE  35  10.897  12.049  13.736
  282   2HG2  ILE  32          3HG2      ILE  35  12.339  11.531  14.630
  283   3HG2  ILE  32          1HG2      ILE  35  11.446  12.963  15.151
  284   1HD1  ILE  32          2HD1      ILE  35  11.836  11.974  10.970
  285   2HD1  ILE  32          3HD1      ILE  35  13.208  10.864  10.880
  286   3HD1  ILE  32          1HD1      ILE  35  12.064  10.711  12.211
  287    H    GLN  33           H        GLN  36  12.450  16.034  14.311
  288    HA   GLN  33           HA       GLN  36  10.228  16.082  16.090
  289   1HB   GLN  33          1HB       GLN  36  12.149  18.360  15.488
  290   2HB   GLN  33          2HB       GLN  36  10.913  18.393  16.740
  291   1HG   GLN  33          1HG       GLN  36  11.934  16.473  17.876
  292   2HG   GLN  33          2HG       GLN  36  13.157  16.341  16.607
  293   1HE2  GLN  33          1HE2      GLN  36  13.357  19.526  19.245
  294   2HE2  GLN  33          2HE2      GLN  36  11.805  18.764  18.941
  295    H    ALA  34           H        ALA  37  10.851  18.073  13.183
  296    HA   ALA  34           HA       ALA  37   8.476  19.645  13.385
  297   1HB   ALA  34          1HB       ALA  37  10.454  20.300  12.073
  298   2HB   ALA  34          2HB       ALA  37  10.139  18.984  10.923
  299   3HB   ALA  34          3HB       ALA  37   8.974  20.310  11.089
  300    H    GLU  35           H        GLU  38   9.140  16.635  11.499
  301    HA   GLU  35           HA       GLU  38   6.472  16.683  10.331
  302   1HB   GLU  35          1HB       GLU  38   8.483  14.402  10.409
  303   2HB   GLU  35          2HB       GLU  38   7.051  14.518   9.384
  304   1HG   GLU  35          1HG       GLU  38   9.555  16.235   9.232
  305   2HG   GLU  35          2HG       GLU  38   8.977  15.073   8.046
  306    H    PHE  36           H        PHE  39   7.911  14.908  13.093
  307    HA   PHE  36           HA       PHE  39   5.329  14.477  14.216
  308   1HB   PHE  36          1HB       PHE  39   5.555  11.941  14.293
  309   2HB   PHE  36          2HB       PHE  39   4.778  12.780  12.958
  310    HD1  PHE  36           HD1      PHE  39   8.509  12.564  12.923
  311    HD2  PHE  36           HD2      PHE  39   4.789  10.712  11.731
  312    HE1  PHE  36           HE1      PHE  39   9.744  10.899  11.596
  313    HE2  PHE  36           HE2      PHE  39   6.044   9.048  10.418
  314    HZ   PHE  36           HZ       PHE  39   8.530   9.097  10.389
  315    HA   PRO  37           HA       PRO  40   8.796  14.824  17.066
  316   1HB   PRO  37          1HB       PRO  40   7.540  16.041  19.198
  317   2HB   PRO  37          2HB       PRO  40   8.062  16.867  17.708
  318   1HG   PRO  37          1HG       PRO  40   5.318  15.773  18.329
  319   2HG   PRO  37          2HG       PRO  40   5.736  17.396  17.698
  320   1HD   PRO  37          1HD       PRO  40   4.933  15.406  16.070
  321   2HD   PRO  37          2HD       PRO  40   6.258  16.485  15.525
  322    H    SER  38           H        SER  41   8.654  12.459  16.929
  323    HA   SER  38           HA       SER  41   8.826  10.455  17.864
  324   1HB   SER  38          1HB       SER  41  10.047  11.966  19.585
  325   2HB   SER  38          2HB       SER  41   8.654  11.636  20.638
  326    HG   SER  38           HG       SER  41  10.302  10.081  20.925
  327    H    LEU  39           H        LEU  42   5.998  11.739  17.606
  328    HA   LEU  39           HA       LEU  42   4.446  10.145  19.528
  329   1HB   LEU  39          1HB       LEU  42   2.482  11.050  18.329
  330   2HB   LEU  39          2HB       LEU  42   3.579  12.237  19.022
  331    HG   LEU  39           HG       LEU  42   4.524  12.700  16.739
  332   1HD1  LEU  39          2HD1      LEU  42   2.224  10.908  15.831
  333   2HD1  LEU  39          3HD1      LEU  42   3.095  12.037  14.783
  334   3HD1  LEU  39          1HD1      LEU  42   3.955  10.667  15.488
  335   1HD2  LEU  39          2HD2      LEU  42   2.803  14.105  17.775
  336   2HD2  LEU  39          3HD2      LEU  42   2.586  14.014  16.020
  337   3HD2  LEU  39          1HD2      LEU  42   1.531  13.069  17.091
  338    H    LEU  40           H        LEU  43   6.282   8.616  18.023
  339    HA   LEU  40           HA       LEU  43   4.932   7.280  15.822
  340   1HB   LEU  40          1HB       LEU  43   7.522   6.654  17.276
  341   2HB   LEU  40          2HB       LEU  43   6.987   6.006  15.717
  342    HG   LEU  40           HG       LEU  43   7.642   8.934  16.304
  343   1HD1  LEU  40          1HD1      LEU  43   9.620   7.437  16.338
  344   2HD1  LEU  40          2HD1      LEU  43   9.190   6.850  14.719
  345   3HD1  LEU  40          3HD1      LEU  43   9.645   8.548  14.958
  346   1HD2  LEU  40          1HD2      LEU  43   6.931   7.539  13.687
  347   2HD2  LEU  40          2HD2      LEU  43   5.982   8.804  14.503
  348   3HD2  LEU  40          3HD2      LEU  43   7.568   9.189  13.832
  349    H    LYS  41           H        LYS  44   3.067   6.865  17.356
  350    HA   LYS  41           HA       LYS  44   3.335   4.747  19.334
  351   1HB   LYS  41          1HB       LYS  44   0.821   5.762  17.959
  352   2HB   LYS  41          2HB       LYS  44   0.922   4.843  19.464
  353   1HG   LYS  41          1HG       LYS  44   1.827   7.715  18.978
  354   2HG   LYS  41          2HG       LYS  44   0.471   7.144  19.947
  355   1HD   LYS  41          1HD       LYS  44   2.115   5.995  21.494
  356   2HD   LYS  41          2HD       LYS  44   3.437   6.690  20.538
  357   1HE   LYS  41          1HE       LYS  44   3.108   8.071  22.482
  358   2HE   LYS  41          2HE       LYS  44   2.606   8.985  21.052
  359   1HZ   LYS  41          2HZ       LYS  44   0.812   7.565  22.901
  360   2HZ   LYS  41          3HZ       LYS  44   1.068   9.192  22.869
  361   3HZ   LYS  41          1HZ       LYS  44   0.338   8.450  21.594
  362    H    GLY  42           H        GLY  45   4.646   3.471  17.727
  363   1HA   GLY  42          1HA       GLY  45   3.671   1.027  17.177
  364   2HA   GLY  42          2HA       GLY  45   3.192   1.886  15.706
  365    HA   PRO  43           HA       PRO  46   7.442   1.406  14.336
  366   1HB   PRO  43          1HB       PRO  46   7.767   3.403  12.532
  367   2HB   PRO  43          2HB       PRO  46   6.531   2.138  12.300
  368   1HG   PRO  43          1HG       PRO  46   6.112   4.900  13.490
  369   2HG   PRO  43          2HG       PRO  46   5.195   4.136  12.159
  370   1HD   PRO  43          1HD       PRO  46   4.332   4.061  14.756
  371   2HD   PRO  43          2HD       PRO  46   4.073   2.688  13.641
  372    NH1  ARG  44           NH2      ARG  47   7.745   7.185  20.608
  373    NH2  ARG  44           NH1      ARG  47   9.598   7.398  19.239
  374    H    ARG  44           H        ARG  47   7.684   2.063  16.782
  375    HA   ARG  44           HA       ARG  47   8.322   4.509  17.742
  376   1HB   ARG  44          1HB       ARG  47   8.950   1.700  18.500
  377   2HB   ARG  44          2HB       ARG  47   9.985   2.892  19.274
  378   1HG   ARG  44          1HG       ARG  47   6.985   3.308  19.232
  379   2HG   ARG  44          2HG       ARG  47   7.714   2.214  20.405
  380   1HD   ARG  44          1HD       ARG  47   7.346   4.639  21.154
  381   2HD   ARG  44          2HD       ARG  47   8.903   3.889  21.503
  382    HE   ARG  44           HE       ARG  47   9.825   5.007  19.473
  383   1HH1  ARG  44          1HH2      ARG  47   7.129   6.621  21.169
  384   2HH1  ARG  44          2HH2      ARG  47   7.528   8.171  20.463
  385   1HH2  ARG  44          1HH1      ARG  47  10.305   6.947  18.668
  386   2HH2  ARG  44          2HH1      ARG  47   9.573   8.414  19.333
  387    H    THR  45           H        THR  48  10.501   2.825  15.571
  388    HA   THR  45           HA       THR  48  12.982   3.693  16.303
  389    HB   THR  45           HB       THR  48  11.667   3.284  13.617
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  14.464   4.308  14.284
  391   2HG2  THR  45          3HG2      THR  48  14.144   3.155  12.921
  392   3HG2  THR  45          1HG2      THR  48  13.356   4.714  12.991
  393    H    LEU  46           H        LEU  49  13.383   5.691  17.022
  394    HA   LEU  46           HA       LEU  49  12.745   8.044  15.306
  395   1HB   LEU  46          1HB       LEU  49  12.645   7.947  17.918
  396   2HB   LEU  46          2HB       LEU  49  14.400   8.134  17.844
  397    HG   LEU  46           HG       LEU  49  12.313  10.004  16.604
  398   1HD1  LEU  46          1HD1      LEU  49  12.320   9.960  19.090
  399   2HD1  LEU  46          2HD1      LEU  49  14.044  10.386  19.078
  400   3HD1  LEU  46          3HD1      LEU  49  12.834  11.520  18.431
  401   1HD2  LEU  46          1HD2      LEU  49  15.349  10.273  16.825
  402   2HD2  LEU  46          2HD2      LEU  49  14.370  10.271  15.339
  403   3HD2  LEU  46          3HD2      LEU  49  14.256  11.623  16.459
  404    H    ASP  47           H        ASP  50  15.434   6.096  16.663
  405    HA   ASP  47           HA       ASP  50  17.230   7.276  14.686
  406   1HB   ASP  47          1HB       ASP  50  18.002   7.708  16.969
  407   2HB   ASP  47          2HB       ASP  50  17.699   6.033  17.443
  408    H    ASP  48           H        ASP  51  16.213   4.025  15.465
  409    HA   ASP  48           HA       ASP  51  18.262   2.657  14.149
  410   1HB   ASP  48          1HB       ASP  51  16.780   1.220  15.067
  411   2HB   ASP  48          2HB       ASP  51  15.363   2.166  14.668
  412    H    LEU  49           H        LEU  52  15.569   4.449  12.625
  413    HA   LEU  49           HA       LEU  52  16.260   3.716   9.951
  414   1HB   LEU  49          1HB       LEU  52  14.623   5.252   9.216
  415   2HB   LEU  49          2HB       LEU  52  14.036   4.333  10.592
  416    HG   LEU  49           HG       LEU  52  14.507   6.403  12.050
  417   1HD1  LEU  49          2HD1      LEU  52  15.024   7.564   9.303
  418   2HD1  LEU  49          3HD1      LEU  52  14.252   8.550  10.563
  419   3HD1  LEU  49          1HD1      LEU  52  15.857   7.916  10.831
  420   1HD2  LEU  49          2HD2      LEU  52  12.242   5.675  11.227
  421   2HD2  LEU  49          3HD2      LEU  52  12.386   7.429  11.363
  422   3HD2  LEU  49          1HD2      LEU  52  12.493   6.651   9.768
  423    H    PHE  50           H        PHE  53  17.342   6.276  12.127
  424    HA   PHE  50           HA       PHE  53  18.606   7.869  10.075
  425   1HB   PHE  50          1HB       PHE  53  18.298   8.971  12.166
  426   2HB   PHE  50          2HB       PHE  53  18.965   7.634  13.075
  427    HD1  PHE  50           HD2      PHE  53  20.742   9.010  10.080
  428    HD2  PHE  50           HD1      PHE  53  20.400   9.065  14.380
  429    HE1  PHE  50           HE2      PHE  53  22.981   9.996  10.255
  430    HE2  PHE  50           HE1      PHE  53  22.717   9.908  14.550
  431    HZ   PHE  50           HZ       PHE  53  24.045  10.315  12.483
  432    H    GLN  51           H        GLN  54  19.805   5.445  12.460
  433    HA   GLN  51           HA       GLN  54  22.375   5.321  11.340
  434   1HB   GLN  51          1HB       GLN  54  20.826   3.212  12.912
  435   2HB   GLN  51          2HB       GLN  54  22.556   3.091  12.542
  436   1HG   GLN  51          1HG       GLN  54  21.273   5.362  14.142
  437   2HG   GLN  51          2HG       GLN  54  22.159   3.993  14.813
  438   1HE2  GLN  51          1HE2      GLN  54  24.243   7.106  13.134
  439   2HE2  GLN  51          2HE2      GLN  54  22.491   7.086  13.072
  440    H    GLU  52           H        GLU  55  19.602   3.239  10.457
  441    HA   GLU  52           HA       GLU  55  20.972   1.665   8.563
  442   1HB   GLU  52          1HB       GLU  55  18.132   2.751   8.608
  443   2HB   GLU  52          2HB       GLU  55  18.701   1.598   7.393
  444   1HG   GLU  52          1HG       GLU  55  19.226  -0.069   9.059
  445   2HG   GLU  52          2HG       GLU  55  18.864   1.028  10.387
  446    H    LEU  53           H        LEU  56  20.216   5.096   8.357
  447    HA   LEU  53           HA       LEU  56  21.038   5.210   5.474
  448   1HB   LEU  53          1HB       LEU  56  19.196   6.994   7.085
  449   2HB   LEU  53          2HB       LEU  56  19.524   7.112   5.362
  450    HG   LEU  53           HG       LEU  56  18.092   4.778   6.685
  451   1HD1  LEU  53          1HD1      LEU  56  16.815   6.887   6.772
  452   2HD1  LEU  53          2HD1      LEU  56  16.998   7.074   5.015
  453   3HD1  LEU  53          3HD1      LEU  56  16.073   5.708   5.681
  454   1HD2  LEU  53          2HD2      LEU  56  19.261   4.104   4.591
  455   2HD2  LEU  53          3HD2      LEU  56  17.504   4.071   4.438
  456   3HD2  LEU  53          1HD2      LEU  56  18.421   5.408   3.724
  457    H    ASP  54           H        ASP  57  22.503   5.556   8.340
  458    HA   ASP  54           HA       ASP  57  23.257   8.348   8.357
  459   1HB   ASP  54          1HB       ASP  57  23.108   7.036  10.350
  460   2HB   ASP  54          2HB       ASP  57  24.405   5.944   9.816
  461    H    LYS  55           H        LYS  58  23.834   8.320   5.972
  462    HA   LYS  55           HA       LYS  58  26.662   7.553   5.447
  463   1HB   LYS  55          1HB       LYS  58  24.454   8.951   3.921
  464   2HB   LYS  55          2HB       LYS  58  26.126   9.203   3.438
  465   1HG   LYS  55          1HG       LYS  58  25.160   7.448   2.140
  466   2HG   LYS  55          2HG       LYS  58  26.507   6.836   3.086
  467   1HD   LYS  55          1HD       LYS  58  23.704   6.565   4.199
  468   2HD   LYS  55          2HD       LYS  58  24.155   5.548   2.828
  469   1HE   LYS  55          1HE       LYS  58  25.649   5.556   5.484
  470   2HE   LYS  55          2HE       LYS  58  24.434   4.388   4.974
  471   1HZ   LYS  55          1HZ       LYS  58  25.835   3.817   3.127
  472   2HZ   LYS  55          2HZ       LYS  58  26.988   4.886   3.622
  473   3HZ   LYS  55          3HZ       LYS  58  26.611   3.591   4.562
  474    H    ASN  56           H        ASN  59  28.017   9.628   4.564
  475    HA   ASN  56           HA       ASN  59  27.640  12.021   6.179
  476   1HB   ASN  56          1HB       ASN  59  28.564  10.647   7.941
  477   2HB   ASN  56          2HB       ASN  59  29.838  10.045   6.873
  478   1HD2  ASN  56          1HD2      ASN  59  30.202  13.994   8.079
  479   2HD2  ASN  56          2HD2      ASN  59  28.595  13.419   7.706
  480    H    GLY  57           H        GLY  60  27.562  12.750   3.975
  481   1HA   GLY  57          1HA       GLY  60  30.067  12.730   2.392
  482   2HA   GLY  57          2HA       GLY  60  28.530  13.509   1.971
  483    H    ASP  58           H        ASP  61  27.845  15.262   3.477
  484    HA   ASP  58           HA       ASP  61  30.058  17.012   4.463
  485   1HB   ASP  58          1HB       ASP  61  29.074  17.944   2.412
  486   2HB   ASP  58          2HB       ASP  61  27.447  17.733   3.085
  487    H    GLY  59           H        GLY  62  26.489  16.233   4.675
  488   1HA   GLY  59          1HA       GLY  62  26.544  16.936   7.559
  489   2HA   GLY  59          2HA       GLY  62  25.126  16.732   6.510
  490    H    GLU  60           H        GLU  63  24.108  14.876   6.561
  491    HA   GLU  60           HA       GLU  63  25.569  12.494   7.323
  492   1HB   GLU  60          1HB       GLU  63  23.294  13.267   8.995
  493   2HB   GLU  60          2HB       GLU  63  23.535  11.597   8.540
  494   1HG   GLU  60          1HG       GLU  63  24.576  11.905  10.617
  495   2HG   GLU  60          2HG       GLU  63  25.693  11.390   9.360
  496    H    VAL  61           H        VAL  64  22.219  12.710   7.056
  497    HA   VAL  61           HA       VAL  64  22.120  10.471   5.185
  498    HB   VAL  61           HB       VAL  64  19.725  11.963   6.320
  499   1HG1  VAL  61          2HG1      VAL  64  20.216   9.138   5.332
  500   2HG1  VAL  61          3HG1      VAL  64  18.715   9.658   6.105
  501   3HG1  VAL  61          1HG1      VAL  64  19.198  10.353   4.537
  502   1HG2  VAL  61          1HG2      VAL  64  21.398   9.756   7.591
  503   2HG2  VAL  61          2HG2      VAL  64  21.058  11.370   8.256
  504   3HG2  VAL  61          3HG2      VAL  64  19.756  10.190   8.104
  505    H    SER  62           H        SER  65  22.189  10.695   3.057
  506    HA   SER  62           HA       SER  65  21.923  13.226   1.720
  507   1HB   SER  62          1HB       SER  65  22.553  11.885  -0.237
  508   2HB   SER  62          2HB       SER  65  23.530  11.352   1.141
  509    HG   SER  62           HG       SER  65  22.689   9.452   0.446
  510    H    PHE  63           H        PHE  66  20.517  13.582  -0.207
  511    HA   PHE  63           HA       PHE  66  17.779  13.133   0.350
  512   1HB   PHE  63          1HB       PHE  66  18.618  14.850  -1.225
  513   2HB   PHE  63          2HB       PHE  66  19.042  13.586  -2.372
  514    HD1  PHE  63           HD1      PHE  66  16.125  14.839  -0.334
  515    HD2  PHE  63           HD2      PHE  66  17.392  12.864  -3.956
  516    HE1  PHE  63           HE1      PHE  66  13.768  14.654  -1.062
  517    HE2  PHE  63           HE2      PHE  66  15.034  12.709  -4.688
  518    HZ   PHE  63           HZ       PHE  66  13.215  13.589  -3.243
  519    H    GLU  64           H        GLU  67  20.106  11.375  -1.628
  520    HA   GLU  64           HA       GLU  67  18.581   9.409  -2.859
  521   1HB   GLU  64          1HB       GLU  67  21.352   8.970  -1.668
  522   2HB   GLU  64          2HB       GLU  67  20.557   8.063  -2.948
  523   1HG   GLU  64          1HG       GLU  67  21.931   9.432  -4.184
  524   2HG   GLU  64          2HG       GLU  67  20.452  10.397  -4.198
  525    H    GLU  65           H        GLU  68  20.218   9.122   0.349
  526    HA   GLU  65           HA       GLU  68  18.863   6.621   0.936
  527   1HB   GLU  65          1HB       GLU  68  20.704   8.480   2.502
  528   2HB   GLU  65          2HB       GLU  68  19.856   7.149   3.268
  529   1HG   GLU  65          1HG       GLU  68  22.009   6.377   2.633
  530   2HG   GLU  65          2HG       GLU  68  20.795   5.520   1.695
  531    H    PHE  66           H        PHE  69  18.410   9.951   2.015
  532    HA   PHE  66           HA       PHE  69  16.482   9.789   3.956
  533   1HB   PHE  66          1HB       PHE  69  17.489  11.882   3.343
  534   2HB   PHE  66          2HB       PHE  69  16.854  11.744   1.704
  535    HD1  PHE  66           HD1      PHE  69  15.551  11.902   5.227
  536    HD2  PHE  66           HD2      PHE  69  15.021  13.033   1.101
  537    HE1  PHE  66           HE1      PHE  69  13.570  13.260   5.846
  538    HE2  PHE  66           HE2      PHE  69  13.136  14.503   1.746
  539    HZ   PHE  66           HZ       PHE  69  12.397  14.617   4.114
  540    H    GLN  67           H        GLN  70  15.902   9.482   0.415
  541    HA   GLN  67           HA       GLN  70  13.113   9.642   0.469
  542   1HB   GLN  67          1HB       GLN  70  15.022   8.092  -1.261
  543   2HB   GLN  67          2HB       GLN  70  13.269   7.988  -1.519
  544   1HG   GLN  67          1HG       GLN  70  13.024  10.283  -1.977
  545   2HG   GLN  67          2HG       GLN  70  14.565  10.721  -1.238
  546   1HE2  GLN  67          1HE2      GLN  70  16.575   9.924  -4.047
  547   2HE2  GLN  67          2HE2      GLN  70  16.544  10.102  -2.286
  548    H    VAL  68           H        VAL  71  15.127   6.907   1.597
  549    HA   VAL  68           HA       VAL  71  12.938   5.041   1.877
  550    HB   VAL  68           HB       VAL  71  15.604   5.223   3.346
  551   1HG1  VAL  68          2HG1      VAL  71  13.633   2.912   3.068
  552   2HG1  VAL  68          3HG1      VAL  71  15.272   2.781   3.735
  553   3HG1  VAL  68          1HG1      VAL  71  14.063   3.758   4.571
  554   1HG2  VAL  68          1HG2      VAL  71  14.790   3.642   0.865
  555   2HG2  VAL  68          2HG2      VAL  71  15.918   5.013   0.896
  556   3HG2  VAL  68          3HG2      VAL  71  16.344   3.507   1.711
  557    H    LEU  69           H        LEU  72  14.279   7.620   3.914
  558    HA   LEU  69           HA       LEU  72  12.794   7.017   6.295
  559   1HB   LEU  69          1HB       LEU  72  14.870   8.429   6.067
  560   2HB   LEU  69          2HB       LEU  72  13.911   9.731   5.364
  561    HG   LEU  69           HG       LEU  72  13.299   8.541   8.035
  562   1HD1  LEU  69          1HD1      LEU  72  15.649   9.471   7.986
  563   2HD1  LEU  69          2HD1      LEU  72  15.000  11.007   7.384
  564   3HD1  LEU  69          3HD1      LEU  72  14.595  10.452   9.014
  565   1HD2  LEU  69          1HD2      LEU  72  12.473  11.134   6.692
  566   2HD2  LEU  69          2HD2      LEU  72  11.432   9.822   7.295
  567   3HD2  LEU  69          3HD2      LEU  72  12.305  10.839   8.435
  568    H    VAL  70           H        VAL  73  12.469   9.436   3.781
  569    HA   VAL  70           HA       VAL  73  10.059  10.676   4.193
  570    HB   VAL  70           HB       VAL  73  11.249   9.696   1.592
  571   1HG1  VAL  70          2HG1      VAL  73   8.792  11.417   1.905
  572   2HG1  VAL  70          3HG1      VAL  73   9.778  11.354   0.433
  573   3HG1  VAL  70          1HG1      VAL  73   8.948   9.904   0.997
  574   1HG2  VAL  70          2HG2      VAL  73  12.474  11.422   2.888
  575   2HG2  VAL  70          3HG2      VAL  73  11.896  12.025   1.325
  576   3HG2  VAL  70          1HG2      VAL  73  11.036  12.464   2.818
  577    H    LYS  71           H        LYS  74  10.377   7.540   2.446
  578    HA   LYS  71           HA       LYS  74   7.717   7.037   1.883
  579   1HB   LYS  71          1HB       LYS  74   9.825   5.039   2.801
  580   2HB   LYS  71          2HB       LYS  74   8.295   4.627   2.022
  581   1HG   LYS  71          1HG       LYS  74   9.589   6.608   0.370
  582   2HG   LYS  71          2HG       LYS  74  10.800   5.409   0.851
  583   1HD   LYS  71          1HD       LYS  74   9.367   3.580   0.016
  584   2HD   LYS  71          2HD       LYS  74   8.108   4.752  -0.414
  585   1HE   LYS  71          1HE       LYS  74   9.403   4.122  -2.402
  586   2HE   LYS  71          2HE       LYS  74   9.635   5.838  -2.034
  587   1HZ   LYS  71          2HZ       LYS  74  11.496   3.678  -1.320
  588   2HZ   LYS  71          3HZ       LYS  74  11.681   4.727  -2.576
  589   3HZ   LYS  71          1HZ       LYS  74  11.721   5.284  -1.028
  590    H    LYS  72           H        LYS  75   9.264   6.691   5.097
  591    HA   LYS  72           HA       LYS  75   6.853   5.420   6.226
  592   1HB   LYS  72          1HB       LYS  75   9.543   6.186   7.385
  593   2HB   LYS  72          2HB       LYS  75   8.295   5.263   8.234
  594   1HG   LYS  72          1HG       LYS  75   8.575   3.351   6.893
  595   2HG   LYS  72          2HG       LYS  75   9.277   4.242   5.543
  596   1HD   LYS  72          1HD       LYS  75  11.021   2.987   6.562
  597   2HD   LYS  72          2HD       LYS  75  11.302   4.722   6.784
  598   1HE   LYS  72          1HE       LYS  75  10.510   4.573   9.128
  599   2HE   LYS  72          2HE       LYS  75  10.042   2.878   8.890
  600   1HZ   LYS  72          2HZ       LYS  75  12.776   3.927   8.737
  601   2HZ   LYS  72          3HZ       LYS  75  12.133   3.081   9.998
  602   3HZ   LYS  72          1HZ       LYS  75  12.335   2.352   8.535
  603    H    ILE  73           H        ILE  76   7.836   8.692   5.705
  604    HA   ILE  73           HA       ILE  76   7.065   9.816   8.222
  605    HB   ILE  73           HB       ILE  76   6.987  11.018   5.434
  606   1HG1  ILE  73          1HG1      ILE  76   9.261  10.386   6.274
  607   2HG1  ILE  73          2HG1      ILE  76   9.023  12.104   5.928
  608   1HG2  ILE  73          2HG2      ILE  76   6.484  12.272   8.154
  609   2HG2  ILE  73          3HG2      ILE  76   6.980  13.213   6.730
  610   3HG2  ILE  73          1HG2      ILE  76   5.465  12.307   6.712
  611   1HD1  ILE  73          1HD1      ILE  76   8.704  12.484   8.427
  612   2HD1  ILE  73          2HD1      ILE  76   9.193  10.785   8.650
  613   3HD1  ILE  73          3HD1      ILE  76  10.298  11.959   7.912
  614    H    SER  74           H        SER  77   5.226   9.683   5.147
  615    HA   SER  74           HA       SER  77   2.700  10.213   6.484
  616   1HB   SER  74          1HB       SER  77   3.393   9.335   3.637
  617   2HB   SER  74          2HB       SER  77   1.791   9.889   4.166
  618    HG   SER  74           HG       SER  77   3.355  11.564   3.267
  619    H    GLN  75           H        GLN  78   1.078   8.764   6.995
  620    HA   GLN  75           HA       GLN  78   1.182   5.969   6.386
  621   1HB   GLN  75          1HB       GLN  78   1.650   5.203   8.748
  622   2HB   GLN  75          2HB       GLN  78   3.046   5.766   7.823
  623   1HG   GLN  75          1HG       GLN  78   2.869   7.993   8.893
  624   2HG   GLN  75          2HG       GLN  78   1.482   7.420   9.820
  625   1HE2  GLN  75          1HE2      GLN  78   5.303   6.219  10.863
  626   2HE2  GLN  75          2HE2      GLN  78   5.041   6.909   9.275
   
  No H/Q in entry =         627
  Start of MODEL           2
 Raw file had 628 H/Q atoms
  Start of MODEL    2
    1   1H    SER  -2           2H       SER   1  -0.775  17.457  -3.323
    2   2H    SER  -2           3H       SER   1  -1.252  16.072  -4.086
    3   3H    SER  -2           1H       SER   1   0.009  17.061  -4.679
    4    HA   SER  -2           HA       SER   1  -1.990  17.325  -5.978
    5   1HB   SER  -2          1HB       SER   1  -3.329  18.094  -3.351
    6   2HB   SER  -2          2HB       SER   1  -4.106  17.726  -4.915
    7    HG   SER  -2           HG       SER   1  -4.100  15.895  -3.484
    8    H    ALA  -1           H        ALA   2  -3.324  19.699  -6.000
    9    HA   ALA  -1           HA       ALA   2  -1.459  21.676  -6.510
   10   1HB   ALA  -1          2HB       ALA   2  -4.313  22.030  -5.476
   11   2HB   ALA  -1          3HB       ALA   2  -3.338  23.273  -6.288
   12   3HB   ALA  -1          1HB       ALA   2  -3.828  21.816  -7.173
   13    H    GLN   0           H        GLN   3  -3.244  21.099  -3.482
   14    HA   GLN   0           HA       GLN   3  -1.362  22.815  -1.938
   15   1HB   GLN   0          1HB       GLN   3  -4.014  21.489  -1.209
   16   2HB   GLN   0          2HB       GLN   3  -3.004  22.455  -0.117
   17   1HG   GLN   0          1HG       GLN   3  -3.237  24.414  -1.628
   18   2HG   GLN   0          2HG       GLN   3  -4.282  23.463  -2.702
   19   1HE2  GLN   0          1HE2      GLN   3  -6.609  25.401  -0.633
   20   2HE2  GLN   0          2HE2      GLN   3  -5.470  25.694  -1.936
   21    H    LYS   1           H        LYS   4   0.275  21.751  -1.007
   22    HA   LYS   1           HA       LYS   4   1.686  20.271  -0.227
   23   1HB   LYS   1          1HB       LYS   4  -0.882  19.029   0.704
   24   2HB   LYS   1          2HB       LYS   4   0.688  18.257   0.989
   25   1HG   LYS   1          1HG       LYS   4   0.066  19.515   2.933
   26   2HG   LYS   1          2HG       LYS   4   1.501  20.223   2.190
   27   1HD   LYS   1          1HD       LYS   4   0.140  22.063   1.254
   28   2HD   LYS   1          2HD       LYS   4  -1.349  21.266   1.808
   29   1HE   LYS   1          1HE       LYS   4  -0.778  23.074   3.327
   30   2HE   LYS   1          2HE       LYS   4  -0.563  21.535   4.173
   31   1HZ   LYS   1          2HZ       LYS   4   1.573  23.137   2.937
   32   2HZ   LYS   1          3HZ       LYS   4   1.251  23.040   4.551
   33   3HZ   LYS   1          1HZ       LYS   4   1.798  21.719   3.733
   34    H    SER   2           H        SER   5   3.035  18.981  -1.204
   35    HA   SER   2           HA       SER   5   2.338  16.513  -2.515
   36   1HB   SER   2          1HB       SER   5   3.283  18.944  -4.129
   37   2HB   SER   2          2HB       SER   5   3.476  17.287  -4.702
   38    HG   SER   2           HG       SER   5   1.136  18.766  -4.370
   39    HA   PRO   3           HA       PRO   6   6.383  15.445  -1.108
   40   1HB   PRO   3          1HB       PRO   6   7.122  14.932  -4.005
   41   2HB   PRO   3          2HB       PRO   6   7.552  13.965  -2.562
   42   1HG   PRO   3          1HG       PRO   6   5.452  13.189  -4.069
   43   2HG   PRO   3          2HG       PRO   6   5.258  13.256  -2.292
   44   1HD   PRO   3          1HD       PRO   6   4.364  15.268  -4.350
   45   2HD   PRO   3          2HD       PRO   6   3.478  14.639  -2.929
   46    H    ALA   4           H        ALA   7   6.390  17.581  -3.978
   47    HA   ALA   4           HA       ALA   7   8.943  18.604  -3.836
   48   1HB   ALA   4          1HB       ALA   7   7.337  19.116  -5.654
   49   2HB   ALA   4          2HB       ALA   7   6.387  20.112  -4.524
   50   3HB   ALA   4          3HB       ALA   7   8.031  20.604  -4.981
   51    H    GLU   5           H        GLU   8   6.322  19.297  -1.798
   52    HA   GLU   5           HA       GLU   8   7.367  21.672  -0.511
   53   1HB   GLU   5          1HB       GLU   8   4.968  20.936  -0.486
   54   2HB   GLU   5          2HB       GLU   8   5.401  19.624   0.627
   55   1HG   GLU   5          1HG       GLU   8   6.171  21.294   2.292
   56   2HG   GLU   5          2HG       GLU   8   5.799  22.605   1.160
   57    H    LEU   6           H        LEU   9   7.307  18.205   0.382
   58    HA   LEU   6           HA       LEU   9   8.942  18.449   2.688
   59   1HB   LEU   6          1HB       LEU   9   8.634  16.033   0.863
   60   2HB   LEU   6          2HB       LEU   9   9.247  16.013   2.518
   61    HG   LEU   6           HG       LEU   9   6.397  16.738   1.679
   62   1HD1  LEU   6          1HD1      LEU   9   6.952  14.345   1.424
   63   2HD1  LEU   6          2HD1      LEU   9   7.518  14.290   3.108
   64   3HD1  LEU   6          3HD1      LEU   9   5.807  14.607   2.751
   65   1HD2  LEU   6          1HD2      LEU   9   7.670  16.513   4.448
   66   2HD2  LEU   6          2HD2      LEU   9   6.972  17.977   3.718
   67   3HD2  LEU   6          3HD2      LEU   9   5.926  16.620   4.139
   68    H    LYS   7           H        LYS  10   9.644  17.898  -0.588
   69    HA   LYS   7           HA       LYS  10  12.462  17.480  -0.390
   70   1HB   LYS   7          1HB       LYS  10  11.095  17.041  -2.459
   71   2HB   LYS   7          2HB       LYS  10  10.983  18.787  -2.705
   72   1HG   LYS   7          1HG       LYS  10  12.688  17.991  -4.141
   73   2HG   LYS   7          2HG       LYS  10  13.481  18.904  -2.857
   74   1HD   LYS   7          1HD       LYS  10  14.111  16.764  -1.725
   75   2HD   LYS   7          2HD       LYS  10  13.191  15.863  -2.943
   76   1HE   LYS   7          1HE       LYS  10  15.531  15.733  -3.490
   77   2HE   LYS   7          2HE       LYS  10  14.736  16.736  -4.712
   78   1HZ   LYS   7          2HZ       LYS  10  16.271  17.714  -2.402
   79   2HZ   LYS   7          3HZ       LYS  10  16.801  17.667  -3.961
   80   3HZ   LYS   7          1HZ       LYS  10  15.559  18.667  -3.544
   81    H    SER   8           H        SER  11  10.568  20.498  -0.952
   82    HA   SER   8           HA       SER  11  12.752  22.292  -0.989
   83   1HB   SER   8          1HB       SER  11   9.915  22.797   0.019
   84   2HB   SER   8          2HB       SER  11  11.116  24.027  -0.407
   85    HG   SER   8           HG       SER  11  10.015  22.064  -2.150
   86    H    ILE   9           H        ILE  12  10.723  21.215   1.798
   87    HA   ILE   9           HA       ILE  12  12.092  22.703   3.799
   88    HB   ILE   9           HB       ILE  12  10.594  20.058   3.911
   89   1HG1  ILE   9          1HG1      ILE  12   9.773  22.852   4.837
   90   2HG1  ILE   9          2HG1      ILE  12   9.378  22.219   3.242
   91   1HG2  ILE   9          1HG2      ILE  12  12.137  20.181   5.858
   92   2HG2  ILE   9          2HG2      ILE  12  11.518  21.805   6.232
   93   3HG2  ILE   9          3HG2      ILE  12  10.470  20.380   6.368
   94   1HD1  ILE   9          1HD1      ILE  12   8.176  20.298   4.319
   95   2HD1  ILE   9          2HD1      ILE  12   8.415  21.097   5.892
   96   3HD1  ILE   9          3HD1      ILE  12   7.469  21.895   4.632
   97    H    PHE  10           H        PHE  13  12.650  19.390   2.569
   98    HA   PHE  10           HA       PHE  13  14.840  18.712   4.179
   99   1HB   PHE  10          1HB       PHE  13  13.576  17.187   2.649
  100   2HB   PHE  10          2HB       PHE  13  14.414  17.897   1.277
  101    HD1  PHE  10           HD1      PHE  13  16.954  17.665   1.100
  102    HD2  PHE  10           HD2      PHE  13  14.636  15.561   4.079
  103    HE1  PHE  10           HE1      PHE  13  18.852  16.147   1.519
  104    HE2  PHE  10           HE2      PHE  13  16.530  14.028   4.459
  105    HZ   PHE  10           HZ       PHE  13  18.626  14.279   3.151
  106    H    GLU  11           H        GLU  14  14.859  20.329   0.939
  107    HA   GLU  11           HA       GLU  14  17.670  20.672   0.764
  108   1HB   GLU  11          1HB       GLU  14  15.368  22.270  -0.415
  109   2HB   GLU  11          2HB       GLU  14  17.073  22.608  -0.746
  110   1HG   GLU  11          1HG       GLU  14  17.413  20.342  -1.626
  111   2HG   GLU  11          2HG       GLU  14  15.733  19.922  -1.268
  112    H    LYS  12           H        LYS  15  15.150  22.868   2.084
  113    HA   LYS  12           HA       LYS  15  16.804  25.021   2.738
  114   1HB   LYS  12          1HB       LYS  15  14.343  25.078   2.780
  115   2HB   LYS  12          2HB       LYS  15  14.319  24.003   4.180
  116   1HG   LYS  12          1HG       LYS  15  13.904  26.304   4.827
  117   2HG   LYS  12          2HG       LYS  15  15.387  25.699   5.579
  118   1HD   LYS  12          1HD       LYS  15  16.771  26.953   3.992
  119   2HD   LYS  12          2HD       LYS  15  15.350  27.359   3.012
  120   1HE   LYS  12          1HE       LYS  15  16.044  29.278   4.365
  121   2HE   LYS  12          2HE       LYS  15  14.437  28.722   4.862
  122   1HZ   LYS  12          2HZ       LYS  15  16.967  28.087   6.217
  123   2HZ   LYS  12          3HZ       LYS  15  15.855  29.192   6.724
  124   3HZ   LYS  12          1HZ       LYS  15  15.470  27.590   6.696
  125    OH   TYR  13           OH       TYR  16  11.948  21.173   9.419
  126    H    TYR  13           H        TYR  16  16.130  22.049   4.603
  127    HA   TYR  13           HA       TYR  16  17.699  22.851   6.938
  128   1HB   TYR  13          1HB       TYR  16  16.615  20.222   5.864
  129   2HB   TYR  13          2HB       TYR  16  17.636  20.307   7.290
  130    HD1  TYR  13           HD2      TYR  16  15.143  23.031   6.804
  131    HD2  TYR  13           HD1      TYR  16  15.877  19.128   8.592
  132    HE1  TYR  13           HE2      TYR  16  12.981  23.112   7.960
  133    HE2  TYR  13           HE1      TYR  16  13.720  19.139   9.462
  134    HH   TYR  13           HH       TYR  16  11.756  20.379   9.921
  135    H    ALA  14           H        ALA  17  18.185  20.539   4.277
  136    HA   ALA  14           HA       ALA  17  20.701  19.613   4.809
  137   1HB   ALA  14          2HB       ALA  17  19.357  20.206   2.138
  138   2HB   ALA  14          3HB       ALA  17  20.800  19.213   2.301
  139   3HB   ALA  14          1HB       ALA  17  19.287  18.675   3.046
  140    H    ALA  15           H        ALA  18  19.873  22.599   3.065
  141    HA   ALA  15           HA       ALA  18  22.429  23.327   2.197
  142   1HB   ALA  15          1HB       ALA  18  20.390  24.377   1.450
  143   2HB   ALA  15          2HB       ALA  18  20.122  25.102   3.058
  144   3HB   ALA  15          3HB       ALA  18  21.515  25.606   2.068
  145    H    LYS  16           H        LYS  19  21.377  23.248   5.557
  146    HA   LYS  16           HA       LYS  19  23.279  25.238   6.496
  147   1HB   LYS  16          1HB       LYS  19  21.793  22.935   7.813
  148   2HB   LYS  16          2HB       LYS  19  23.050  23.826   8.655
  149   1HG   LYS  16          1HG       LYS  19  20.811  24.654   9.181
  150   2HG   LYS  16          2HG       LYS  19  21.888  25.899   8.534
  151   1HD   LYS  16          1HD       LYS  19  20.791  25.832   6.359
  152   2HD   LYS  16          2HD       LYS  19  19.794  24.458   6.846
  153   1HE   LYS  16          1HE       LYS  19  19.676  27.207   8.149
  154   2HE   LYS  16          2HE       LYS  19  18.593  26.624   6.869
  155   1HZ   LYS  16          1HZ       LYS  19  17.908  24.858   8.311
  156   2HZ   LYS  16          2HZ       LYS  19  18.876  25.409   9.524
  157   3HZ   LYS  16          3HZ       LYS  19  17.613  26.326   8.999
  158    H    GLU  17           H        GLU  20  23.385  21.720   5.754
  159    HA   GLU  17           HA       GLU  20  26.145  21.423   6.604
  160   1HB   GLU  17          1HB       GLU  20  24.169  19.650   5.062
  161   2HB   GLU  17          2HB       GLU  20  25.799  19.173   5.529
  162   1HG   GLU  17          1HG       GLU  20  24.303  18.295   7.151
  163   2HG   GLU  17          2HG       GLU  20  25.266  19.589   7.899
  164    H    GLY  18           H        GLY  21  27.801  20.736   5.041
  165   1HA   GLY  18          1HA       GLY  21  28.274  22.592   3.006
  166   2HA   GLY  18          2HA       GLY  21  29.071  21.017   3.151
  167    H    ASP  19           H        ASP  22  26.776  19.351   2.765
  168    HA   ASP  19           HA       ASP  22  26.457  19.649  -0.159
  169   1HB   ASP  19          1HB       ASP  22  27.442  17.598   0.640
  170   2HB   ASP  19          2HB       ASP  22  26.035  17.278   1.664
  171    HA   PRO  20           HA       PRO  23  22.230  20.992   1.124
  172   1HB   PRO  20          1HB       PRO  23  21.299  21.816  -1.302
  173   2HB   PRO  20          2HB       PRO  23  22.423  22.764  -0.290
  174   1HG   PRO  20          1HG       PRO  23  23.130  20.929  -2.591
  175   2HG   PRO  20          2HG       PRO  23  23.664  22.617  -2.337
  176   1HD   PRO  20          1HD       PRO  23  25.209  20.538  -1.640
  177   2HD   PRO  20          2HD       PRO  23  25.126  21.968  -0.564
  178    H    ASN  21           H        ASN  24  23.224  18.225  -0.630
  179    HA   ASN  21           HA       ASN  24  20.457  17.338  -1.197
  180   1HB   ASN  21          1HB       ASN  24  22.345  17.099  -2.873
  181   2HB   ASN  21          2HB       ASN  24  23.082  15.929  -1.762
  182   1HD2  ASN  21          1HD2      ASN  24  21.352  13.556  -3.778
  183   2HD2  ASN  21          2HD2      ASN  24  22.911  14.296  -3.432
  184    H    GLN  22           H        GLN  25  22.266  17.455   1.602
  185    HA   GLN  22           HA       GLN  25  20.913  15.022   2.632
  186   1HB   GLN  22          1HB       GLN  25  23.580  15.770   3.797
  187   2HB   GLN  22          2HB       GLN  25  22.820  14.207   3.714
  188   1HG   GLN  22          1HG       GLN  25  23.456  14.130   1.205
  189   2HG   GLN  22          2HG       GLN  25  24.371  15.613   1.511
  190   1HE2  GLN  22          1HE2      GLN  25  25.673  11.997   3.026
  191   2HE2  GLN  22          2HE2      GLN  25  24.062  12.141   2.373
  192    H    LEU  23           H        LEU  26  20.613  15.123   4.971
  193    HA   LEU  23           HA       LEU  26  21.509  17.628   6.047
  194   1HB   LEU  23          1HB       LEU  26  19.494  17.489   7.700
  195   2HB   LEU  23          2HB       LEU  26  19.358  18.255   6.112
  196    HG   LEU  23           HG       LEU  26  18.360  16.458   5.215
  197   1HD1  LEU  23          2HD1      LEU  26  18.668  15.052   7.917
  198   2HD1  LEU  23          3HD1      LEU  26  17.567  14.433   6.669
  199   3HD1  LEU  23          1HD1      LEU  26  19.304  14.473   6.369
  200   1HD2  LEU  23          2HD2      LEU  26  16.888  18.009   6.343
  201   2HD2  LEU  23          3HD2      LEU  26  16.199  16.384   6.456
  202   3HD2  LEU  23          1HD2      LEU  26  17.020  17.093   7.863
  203    H    SER  24           H        SER  27  21.884  17.781   8.352
  204    HA   SER  24           HA       SER  27  23.511  15.565   9.219
  205   1HB   SER  24          1HB       SER  27  23.907  17.137  11.161
  206   2HB   SER  24          2HB       SER  27  24.270  17.816   9.571
  207    HG   SER  24           HG       SER  27  22.902  19.338  10.162
  208    H    LYS  25           H        LYS  28  23.318  14.685  11.441
  209    HA   LYS  25           HA       LYS  28  20.945  13.375  12.002
  210   1HB   LYS  25          1HB       LYS  28  23.178  12.857  12.917
  211   2HB   LYS  25          2HB       LYS  28  23.061  14.283  13.974
  212   1HG   LYS  25          1HG       LYS  28  21.192  13.287  15.187
  213   2HG   LYS  25          2HG       LYS  28  21.067  11.977  14.005
  214   1HD   LYS  25          1HD       LYS  28  22.109  11.230  16.072
  215   2HD   LYS  25          2HD       LYS  28  23.200  11.030  14.705
  216   1HE   LYS  25          1HE       LYS  28  23.355  13.503  16.490
  217   2HE   LYS  25          2HE       LYS  28  24.101  11.973  16.979
  218   1HZ   LYS  25          1HZ       LYS  28  25.397  11.980  15.004
  219   2HZ   LYS  25          2HZ       LYS  28  24.738  13.402  14.503
  220   3HZ   LYS  25          3HZ       LYS  28  25.651  13.358  15.868
  221    H    GLU  26           H        GLU  29  22.051  16.485  13.379
  222    HA   GLU  26           HA       GLU  29  19.860  16.927  15.137
  223   1HB   GLU  26          1HB       GLU  29  21.684  18.912  13.685
  224   2HB   GLU  26          2HB       GLU  29  20.547  19.321  14.969
  225   1HG   GLU  26          1HG       GLU  29  22.739  19.130  15.942
  226   2HG   GLU  26          2HG       GLU  29  21.730  17.810  16.541
  227    H    GLU  27           H        GLU  30  20.439  18.123  11.790
  228    HA   GLU  27           HA       GLU  30  17.906  19.384  11.517
  229   1HB   GLU  27          1HB       GLU  30  19.942  18.318   9.577
  230   2HB   GLU  27          2HB       GLU  30  18.473  19.160   9.036
  231   1HG   GLU  27          1HG       GLU  30  20.621  20.317  10.883
  232   2HG   GLU  27          2HG       GLU  30  20.487  20.626   9.148
  233    H    LEU  28           H        LEU  31  18.882  15.961  10.913
  234    HA   LEU  28           HA       LEU  31  16.441  15.270   9.608
  235   1HB   LEU  28          1HB       LEU  31  17.355  13.273   9.332
  236   2HB   LEU  28          2HB       LEU  31  18.805  14.016   9.985
  237    HG   LEU  28           HG       LEU  31  18.177  13.081  12.246
  238   1HD1  LEU  28          2HD1      LEU  31  16.192  11.520  10.510
  239   2HD1  LEU  28          3HD1      LEU  31  16.753  10.961  12.092
  240   3HD1  LEU  28          1HD1      LEU  31  15.807  12.433  11.982
  241   1HD2  LEU  28          2HD2      LEU  31  19.860  12.101  10.604
  242   2HD2  LEU  28          3HD2      LEU  31  19.157  10.981  11.784
  243   3HD2  LEU  28          1HD2      LEU  31  18.567  10.999  10.110
  244    H    LYS  29           H        LYS  32  17.558  14.946  12.980
  245    HA   LYS  29           HA       LYS  32  15.251  13.951  14.212
  246   1HB   LYS  29          1HB       LYS  32  17.299  14.234  15.459
  247   2HB   LYS  29          2HB       LYS  32  17.314  15.961  15.177
  248   1HG   LYS  29          1HG       LYS  32  16.626  15.591  17.434
  249   2HG   LYS  29          2HG       LYS  32  15.301  16.314  16.528
  250   1HD   LYS  29          1HD       LYS  32  14.563  14.499  18.072
  251   2HD   LYS  29          2HD       LYS  32  14.136  14.162  16.396
  252   1HE   LYS  29          1HE       LYS  32  14.994  12.175  17.657
  253   2HE   LYS  29          2HE       LYS  32  15.903  12.514  16.181
  254   1HZ   LYS  29          1HZ       LYS  32  17.561  13.576  17.558
  255   2HZ   LYS  29          2HZ       LYS  32  16.705  13.211  18.922
  256   3HZ   LYS  29          3HZ       LYS  32  17.324  12.001  17.980
  257    H    GLN  30           H        GLN  33  16.143  17.368  13.601
  258    HA   GLN  30           HA       GLN  33  13.810  18.518  14.601
  259   1HB   GLN  30          1HB       GLN  33  15.632  19.403  12.325
  260   2HB   GLN  30          2HB       GLN  33  14.341  20.429  12.959
  261   1HG   GLN  30          1HG       GLN  33  15.385  20.741  15.027
  262   2HG   GLN  30          2HG       GLN  33  16.327  19.255  14.910
  263   1HE2  GLN  30          1HE2      GLN  33  17.770  22.252  12.476
  264   2HE2  GLN  30          2HE2      GLN  33  16.046  21.894  12.453
  265    H    LEU  31           H        LEU  34  14.532  17.494  11.160
  266    HA   LEU  31           HA       LEU  34  12.014  17.966  10.116
  267   1HB   LEU  31          1HB       LEU  34  14.211  17.013   9.008
  268   2HB   LEU  31          2HB       LEU  34  13.505  15.442   9.336
  269    HG   LEU  31           HG       LEU  34  11.920  17.589   7.865
  270   1HD1  LEU  31          2HD1      LEU  34  13.908  15.644   6.642
  271   2HD1  LEU  31          3HD1      LEU  34  12.764  16.663   5.740
  272   3HD1  LEU  31          1HD1      LEU  34  14.050  17.421   6.689
  273   1HD2  LEU  31          1HD2      LEU  34  11.890  14.534   7.785
  274   2HD2  LEU  31          2HD2      LEU  34  10.658  15.554   8.533
  275   3HD2  LEU  31          3HD2      LEU  34  10.875  15.607   6.790
  276    H    ILE  32           H        ILE  35  12.962  15.138  11.798
  277    HA   ILE  32           HA       ILE  35  10.497  13.732  11.576
  278    HB   ILE  32           HB       ILE  35  12.067  13.586  14.167
  279   1HG1  ILE  32          1HG1      ILE  35  13.772  13.262  12.641
  280   2HG1  ILE  32          2HG1      ILE  35  13.321  11.672  13.198
  281   1HG2  ILE  32          2HG2      ILE  35  10.341  11.579  12.678
  282   2HG2  ILE  32          3HG2      ILE  35  11.237  11.264  14.172
  283   3HG2  ILE  32          1HG2      ILE  35   9.915  12.436  14.169
  284   1HD1  ILE  32          2HD1      ILE  35  12.407  12.848  10.521
  285   2HD1  ILE  32          3HD1      ILE  35  13.796  11.794  10.763
  286   3HD1  ILE  32          1HD1      ILE  35  12.170  11.189  11.125
  287    H    GLN  33           H        GLN  36  11.529  15.731  14.137
  288    HA   GLN  33           HA       GLN  36   9.016  15.779  15.520
  289   1HB   GLN  33          1HB       GLN  36  11.317  17.744  15.753
  290   2HB   GLN  33          2HB       GLN  36   9.944  17.629  16.867
  291   1HG   GLN  33          1HG       GLN  36  12.010  15.448  16.316
  292   2HG   GLN  33          2HG       GLN  36  11.856  16.399  17.789
  293   1HE2  GLN  33          1HE2      GLN  36   8.940  14.581  18.942
  294   2HE2  GLN  33          2HE2      GLN  36   9.660  16.179  18.959
  295    H    ALA  34           H        ALA  37  10.164  17.860  12.935
  296    HA   ALA  34           HA       ALA  37   7.995  19.779  13.271
  297   1HB   ALA  34          1HB       ALA  37  10.162  20.423  12.320
  298   2HB   ALA  34          2HB       ALA  37   9.920  19.302  10.962
  299   3HB   ALA  34          3HB       ALA  37   8.846  20.702  11.159
  300    H    GLU  35           H        GLU  38   8.689  17.161  10.909
  301    HA   GLU  35           HA       GLU  38   6.101  17.605   9.582
  302   1HB   GLU  35          1HB       GLU  38   8.348  15.688   8.922
  303   2HB   GLU  35          2HB       GLU  38   6.981  16.131   7.880
  304   1HG   GLU  35          1HG       GLU  38   9.265  17.951   8.789
  305   2HG   GLU  35          2HG       GLU  38   8.994  17.305   7.173
  306    H    PHE  36           H        PHE  39   7.580  14.991  11.590
  307    HA   PHE  36           HA       PHE  39   4.915  13.755  11.826
  308   1HB   PHE  36          1HB       PHE  39   5.833  11.535  11.098
  309   2HB   PHE  36          2HB       PHE  39   5.456  12.697   9.854
  310    HD1  PHE  36           HD2      PHE  39   7.168  13.658   8.433
  311    HD2  PHE  36           HD1      PHE  39   8.126  10.725  11.433
  312    HE1  PHE  36           HE2      PHE  39   9.375  13.298   7.369
  313    HE2  PHE  36           HE1      PHE  39  10.255  10.246  10.266
  314    HZ   PHE  36           HZ       PHE  39  10.927  11.583   8.285
  315    HA   PRO  37           HA       PRO  40   7.839  13.915  15.451
  316   1HB   PRO  37          1HB       PRO  40   5.838  14.671  17.313
  317   2HB   PRO  37          2HB       PRO  40   6.968  15.755  16.474
  318   1HG   PRO  37          1HG       PRO  40   4.150  15.042  15.702
  319   2HG   PRO  37          2HG       PRO  40   4.937  16.650  15.656
  320   1HD   PRO  37          1HD       PRO  40   4.621  15.212  13.426
  321   2HD   PRO  37          2HD       PRO  40   6.164  16.063  13.681
  322    H    SER  38           H        SER  41   8.359  11.939  15.917
  323    HA   SER  38           HA       SER  41   8.345   9.847  16.722
  324   1HB   SER  38          1HB       SER  41   7.655  11.084  18.780
  325   2HB   SER  38          2HB       SER  41   5.956  10.757  18.383
  326    HG   SER  38           HG       SER  41   6.593   8.502  18.346
  327    H    LEU  39           H        LEU  42   6.369  10.529  14.350
  328    HA   LEU  39           HA       LEU  42   4.381   8.362  14.685
  329   1HB   LEU  39          1HB       LEU  42   4.891  10.003  12.217
  330   2HB   LEU  39          2HB       LEU  42   3.460   9.067  12.623
  331    HG   LEU  39           HG       LEU  42   4.357  11.627  13.995
  332   1HD1  LEU  39          1HD1      LEU  42   3.344  11.870  11.731
  333   2HD1  LEU  39          2HD1      LEU  42   1.913  10.988  12.298
  334   3HD1  LEU  39          3HD1      LEU  42   2.331  12.559  13.013
  335   1HD2  LEU  39          1HD2      LEU  42   1.964   9.825  14.579
  336   2HD2  LEU  39          2HD2      LEU  42   3.316  10.174  15.681
  337   3HD2  LEU  39          3HD2      LEU  42   2.198  11.462  15.227
  338    H    LEU  40           H        LEU  43   6.729   7.367  15.063
  339    HA   LEU  40           HA       LEU  43   7.322   5.565  12.751
  340   1HB   LEU  40          1HB       LEU  43   9.287   6.854  14.700
  341   2HB   LEU  40          2HB       LEU  43   9.711   5.653  13.473
  342    HG   LEU  40           HG       LEU  43   8.565   8.422  12.837
  343   1HD1  LEU  40          1HD1      LEU  43  10.749   8.588  13.932
  344   2HD1  LEU  40          2HD1      LEU  43  11.440   7.430  12.772
  345   3HD1  LEU  40          3HD1      LEU  43  10.868   9.016  12.220
  346   1HD2  LEU  40          1HD2      LEU  43   9.903   6.312  11.071
  347   2HD2  LEU  40          2HD2      LEU  43   8.178   6.723  11.050
  348   3HD2  LEU  40          3HD2      LEU  43   9.373   7.922  10.548
  349    H    LYS  41           H        LYS  44   5.451   4.778  14.245
  350    HA   LYS  41           HA       LYS  44   4.596   3.253  15.594
  351   1HB   LYS  41          1HB       LYS  44   7.396   2.145  15.365
  352   2HB   LYS  41          2HB       LYS  44   6.094   1.315  16.210
  353   1HG   LYS  41          1HG       LYS  44   6.146   0.333  14.105
  354   2HG   LYS  41          2HG       LYS  44   4.713   1.350  14.140
  355   1HD   LYS  41          1HD       LYS  44   5.823   1.417  11.989
  356   2HD   LYS  41          2HD       LYS  44   5.866   3.026  12.700
  357   1HE   LYS  41          1HE       LYS  44   8.250   2.684  13.338
  358   2HE   LYS  41          2HE       LYS  44   8.168   1.006  12.780
  359   1HZ   LYS  41          2HZ       LYS  44   7.761   3.336  11.037
  360   2HZ   LYS  41          3HZ       LYS  44   9.182   2.518  11.214
  361   3HZ   LYS  41          1HZ       LYS  44   7.867   1.743  10.598
  362    H    GLY  42           H        GLY  45   6.559   5.562  16.901
  363   1HA   GLY  42          1HA       GLY  45   5.583   6.005  19.230
  364   2HA   GLY  42          2HA       GLY  45   6.422   4.509  19.680
  365    HA   PRO  43           HA       PRO  46   9.379   8.147  19.910
  366   1HB   PRO  43          1HB       PRO  46   9.732   8.392  22.580
  367   2HB   PRO  43          2HB       PRO  46   8.280   9.023  21.760
  368   1HG   PRO  43          1HG       PRO  46   8.551   6.354  23.180
  369   2HG   PRO  43          2HG       PRO  46   7.300   7.605  23.444
  370   1HD   PRO  43          1HD       PRO  46   6.893   5.476  21.780
  371   2HD   PRO  43          2HD       PRO  46   6.236   7.094  21.391
  372    NH1  ARG  44           NH1      ARG  47   7.593   2.018  19.577
  373    NH2  ARG  44           NH2      ARG  47   6.567   1.301  21.521
  374    H    ARG  44           H        ARG  47  10.264   6.011  18.833
  375    HA   ARG  44           HA       ARG  47  12.498   4.990  20.563
  376   1HB   ARG  44          1HB       ARG  47  10.864   3.314  18.617
  377   2HB   ARG  44          2HB       ARG  47  12.278   2.796  19.564
  378   1HG   ARG  44          1HG       ARG  47  10.945   3.396  21.660
  379   2HG   ARG  44          2HG       ARG  47   9.561   3.692  20.599
  380   1HD   ARG  44          1HD       ARG  47  10.130   1.220  19.708
  381   2HD   ARG  44          2HD       ARG  47  10.957   1.095  21.255
  382    HE   ARG  44           HE       ARG  47   8.926   1.009  22.340
  383   1HH1  ARG  44          1HH1      ARG  47   8.436   2.230  19.066
  384   2HH1  ARG  44          2HH1      ARG  47   6.692   2.187  19.134
  385   1HH2  ARG  44          1HH2      ARG  47   6.628   0.953  22.467
  386   2HH2  ARG  44          2HH2      ARG  47   5.661   1.446  21.101
  387    H    THR  45           H        THR  48  12.018   4.024  17.160
  388    HA   THR  45           HA       THR  48  14.652   4.831  16.573
  389    HB   THR  45           HB       THR  48  12.544   4.045  14.545
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          1HG2      THR  48  15.036   4.597  13.978
  391   2HG2  THR  45          2HG2      THR  48  15.412   3.130  14.925
  392   3HG2  THR  45          3HG2      THR  48  14.410   2.989  13.487
  393    H    LEU  46           H        LEU  49  13.764   7.282  17.296
  394    HA   LEU  46           HA       LEU  49  12.829   8.774  14.952
  395   1HB   LEU  46          1HB       LEU  49  14.104   9.591  17.602
  396   2HB   LEU  46          2HB       LEU  49  13.826  10.735  16.278
  397    HG   LEU  46           HG       LEU  49  11.434  10.327  16.291
  398   1HD1  LEU  46          2HD1      LEU  49  11.946   8.454  18.639
  399   2HD1  LEU  46          3HD1      LEU  49  10.362   9.085  18.134
  400   3HD1  LEU  46          1HD1      LEU  49  11.250   8.014  17.057
  401   1HD2  LEU  46          2HD2      LEU  49  12.389  12.103  17.709
  402   2HD2  LEU  46          3HD2      LEU  49  10.934  11.407  18.443
  403   3HD2  LEU  46          1HD2      LEU  49  12.539  10.954  19.058
  404    H    ASP  47           H        ASP  50  15.961   7.682  16.206
  405    HA   ASP  47           HA       ASP  50  16.987   7.891  13.656
  406   1HB   ASP  47          1HB       ASP  50  18.812   9.317  13.992
  407   2HB   ASP  47          2HB       ASP  50  17.299  10.220  14.245
  408    H    ASP  48           H        ASP  51  17.492   6.106  13.703
  409    HA   ASP  48           HA       ASP  51  19.910   4.927  14.806
  410   1HB   ASP  48          1HB       ASP  51  18.683   4.210  16.684
  411   2HB   ASP  48          2HB       ASP  51  17.217   3.908  15.763
  412    H    LEU  49           H        LEU  52  16.784   3.955  13.170
  413    HA   LEU  49           HA       LEU  52  18.117   2.376  11.236
  414   1HB   LEU  49          1HB       LEU  52  16.189   2.302   9.976
  415   2HB   LEU  49          2HB       LEU  52  15.646   2.443  11.632
  416    HG   LEU  49           HG       LEU  52  15.374   5.018  11.062
  417   1HD1  LEU  49          2HD1      LEU  52  15.424   3.720   8.280
  418   2HD1  LEU  49          3HD1      LEU  52  14.715   5.300   8.617
  419   3HD1  LEU  49          1HD1      LEU  52  16.442   5.068   8.811
  420   1HD2  LEU  49          1HD2      LEU  52  13.575   2.880   9.838
  421   2HD2  LEU  49          2HD2      LEU  52  13.489   3.479  11.504
  422   3HD2  LEU  49          3HD2      LEU  52  13.104   4.560  10.166
  423    H    PHE  50           H        PHE  53  17.630   5.802  11.566
  424    HA   PHE  50           HA       PHE  53  18.438   7.092   9.325
  425   1HB   PHE  50          1HB       PHE  53  18.477   8.730  10.885
  426   2HB   PHE  50          2HB       PHE  53  18.480   7.552  12.144
  427    HD1  PHE  50           HD1      PHE  53  20.830   9.461   9.977
  428    HD2  PHE  50           HD2      PHE  53  20.385   7.075  13.537
  429    HE1  PHE  50           HE1      PHE  53  23.121  10.028  10.640
  430    HE2  PHE  50           HE2      PHE  53  22.690   7.625  14.189
  431    HZ   PHE  50           HZ       PHE  53  24.094   9.062  12.733
  432    H    GLN  51           H        GLN  54  20.582   5.261  11.530
  433    HA   GLN  51           HA       GLN  54  23.039   5.979  10.486
  434   1HB   GLN  51          1HB       GLN  54  22.463   4.749  12.639
  435   2HB   GLN  51          2HB       GLN  54  22.217   3.288  11.667
  436   1HG   GLN  51          1HG       GLN  54  24.560   3.258  10.990
  437   2HG   GLN  51          2HG       GLN  54  24.832   4.856  11.705
  438   1HE2  GLN  51          1HE2      GLN  54  24.079   2.008  14.578
  439   2HE2  GLN  51          2HE2      GLN  54  22.922   2.238  13.282
  440    H    GLU  52           H        GLU  55  20.736   3.561   9.279
  441    HA   GLU  52           HA       GLU  55  22.550   2.309   7.399
  442   1HB   GLU  52          1HB       GLU  55  19.503   2.467   7.395
  443   2HB   GLU  52          2HB       GLU  55  20.500   1.333   6.480
  444   1HG   GLU  52          1HG       GLU  55  21.300   0.291   8.559
  445   2HG   GLU  52          2HG       GLU  55  20.401   1.459   9.539
  446    H    LEU  53           H        LEU  56  20.487   5.158   7.437
  447    HA   LEU  53           HA       LEU  56  20.588   5.587   4.549
  448   1HB   LEU  53          1HB       LEU  56  19.396   7.360   6.673
  449   2HB   LEU  53          2HB       LEU  56  19.057   7.345   4.938
  450    HG   LEU  53           HG       LEU  56  18.370   5.143   6.901
  451   1HD1  LEU  53          2HD1      LEU  56  16.640   7.139   5.378
  452   2HD1  LEU  53          3HD1      LEU  56  16.033   5.820   6.395
  453   3HD1  LEU  53          1HD1      LEU  56  16.961   7.147   7.125
  454   1HD2  LEU  53          2HD2      LEU  56  18.837   4.145   4.686
  455   2HD2  LEU  53          3HD2      LEU  56  17.123   4.081   5.088
  456   3HD2  LEU  53          1HD2      LEU  56  17.704   5.292   3.936
  457    H    ASP  54           H        ASP  57  22.291   6.535   7.388
  458    HA   ASP  54           HA       ASP  57  23.629   8.948   6.476
  459   1HB   ASP  54          1HB       ASP  57  23.284   8.233   8.870
  460   2HB   ASP  54          2HB       ASP  57  24.332   6.845   8.581
  461    H    LYS  55           H        LYS  58  23.967   7.984   4.300
  462    HA   LYS  55           HA       LYS  58  25.803   6.082   3.546
  463   1HB   LYS  55          1HB       LYS  58  24.398   7.541   2.086
  464   2HB   LYS  55          2HB       LYS  58  25.518   8.885   2.379
  465   1HG   LYS  55          1HG       LYS  58  27.349   7.567   1.327
  466   2HG   LYS  55          2HG       LYS  58  26.221   6.223   1.061
  467   1HD   LYS  55          1HD       LYS  58  24.789   7.725  -0.334
  468   2HD   LYS  55          2HD       LYS  58  25.957   9.040  -0.109
  469   1HE   LYS  55          1HE       LYS  58  26.527   6.349  -1.450
  470   2HE   LYS  55          2HE       LYS  58  26.236   7.880  -2.289
  471   1HZ   LYS  55          1HZ       LYS  58  28.183   8.768  -1.216
  472   2HZ   LYS  55          2HZ       LYS  58  28.472   7.325  -0.472
  473   3HZ   LYS  55          3HZ       LYS  58  28.548   7.435  -2.112
  474    H    ASN  56           H        ASN  59  26.552   9.260   4.946
  475    HA   ASN  56           HA       ASN  59  29.358   9.270   4.331
  476   1HB   ASN  56          1HB       ASN  59  28.002  10.757   6.602
  477   2HB   ASN  56          2HB       ASN  59  29.478  11.203   5.743
  478   1HD2  ASN  56          1HD2      ASN  59  27.550  13.311   3.604
  479   2HD2  ASN  56          2HD2      ASN  59  29.072  13.021   4.431
  480    H    GLY  57           H        GLY  60  27.518   7.628   6.838
  481   1HA   GLY  57          1HA       GLY  60  28.164   6.412   8.668
  482   2HA   GLY  57          2HA       GLY  60  29.774   6.301   7.928
  483    H    ASP  58           H        ASP  61  27.726   8.868   9.390
  484    HA   ASP  58           HA       ASP  61  29.678   9.477  11.473
  485   1HB   ASP  58          1HB       ASP  61  30.763  10.672   9.689
  486   2HB   ASP  58          2HB       ASP  61  29.244  11.371   9.123
  487    H    GLY  59           H        GLY  62  27.162  11.427   9.762
  488   1HA   GLY  59          1HA       GLY  62  25.082  10.938  11.636
  489   2HA   GLY  59          2HA       GLY  62  25.987  12.365  12.162
  490    H    GLU  60           H        GLU  63  24.904  11.046   8.988
  491    HA   GLU  60           HA       GLU  63  23.484  13.568   8.338
  492   1HB   GLU  60          1HB       GLU  63  25.338  11.852   6.633
  493   2HB   GLU  60          2HB       GLU  63  24.412  13.193   5.985
  494   1HG   GLU  60          1HG       GLU  63  26.592  13.538   8.095
  495   2HG   GLU  60          2HG       GLU  63  26.761  13.848   6.366
  496    H    VAL  61           H        VAL  64  22.177  13.137   6.283
  497    HA   VAL  61           HA       VAL  64  21.569  10.402   5.517
  498    HB   VAL  61           HB       VAL  64  19.280  12.122   6.609
  499   1HG1  VAL  61          2HG1      VAL  64  19.418   9.433   5.219
  500   2HG1  VAL  61          3HG1      VAL  64  17.950  10.044   6.011
  501   3HG1  VAL  61          1HG1      VAL  64  18.616  10.885   4.603
  502   1HG2  VAL  61          1HG2      VAL  64  20.469   9.499   7.600
  503   2HG2  VAL  61          2HG2      VAL  64  20.349  11.057   8.473
  504   3HG2  VAL  61          3HG2      VAL  64  18.889  10.129   8.092
  505    H    SER  62           H        SER  65  21.685  10.478   3.434
  506    HA   SER  62           HA       SER  65  21.570  12.881   1.849
  507   1HB   SER  62          1HB       SER  65  21.472   9.946   1.092
  508   2HB   SER  62          2HB       SER  65  22.051  11.279   0.054
  509    HG   SER  62           HG       SER  65  23.735  10.041   1.109
  510    H    PHE  63           H        PHE  66  19.850  13.492   0.378
  511    HA   PHE  63           HA       PHE  66  17.216  12.966   1.079
  512   1HB   PHE  63          1HB       PHE  66  17.852  14.795  -0.435
  513   2HB   PHE  63          2HB       PHE  66  18.266  13.639  -1.692
  514    HD1  PHE  63           HD2      PHE  66  15.432  14.769   0.494
  515    HD2  PHE  63           HD1      PHE  66  16.559  12.713  -3.127
  516    HE1  PHE  63           HE2      PHE  66  13.042  14.364  -0.027
  517    HE2  PHE  63           HE1      PHE  66  14.173  12.280  -3.621
  518    HZ   PHE  63           HZ       PHE  66  12.411  13.077  -2.062
  519    H    GLU  64           H        GLU  67  19.132  11.311  -1.424
  520    HA   GLU  64           HA       GLU  67  17.250   9.626  -2.554
  521   1HB   GLU  64          1HB       GLU  67  20.168   8.965  -1.899
  522   2HB   GLU  64          2HB       GLU  67  19.116   8.055  -2.977
  523   1HG   GLU  64          1HG       GLU  67  20.427   9.394  -4.395
  524   2HG   GLU  64          2HG       GLU  67  18.818  10.123  -4.396
  525    H    GLU  65           H        GLU  68  19.117   9.113   0.429
  526    HA   GLU  65           HA       GLU  68  17.901   6.519   0.962
  527   1HB   GLU  65          1HB       GLU  68  19.705   8.215   2.748
  528   2HB   GLU  65          2HB       GLU  68  19.331   6.486   2.874
  529   1HG   GLU  65          1HG       GLU  68  20.934   7.806   0.654
  530   2HG   GLU  65          2HG       GLU  68  21.529   6.732   1.920
  531    H    PHE  66           H        PHE  69  17.547   9.852   2.157
  532    HA   PHE  66           HA       PHE  69  15.882   9.508   4.355
  533   1HB   PHE  66          1HB       PHE  69  16.719  11.696   3.668
  534   2HB   PHE  66          2HB       PHE  69  15.798  11.610   2.178
  535    HD1  PHE  66           HD2      PHE  69  15.098  11.379   5.876
  536    HD2  PHE  66           HD1      PHE  69  13.886  12.872   2.012
  537    HE1  PHE  66           HE2      PHE  69  13.147  12.505   6.914
  538    HE2  PHE  66           HE1      PHE  69  11.968  14.032   3.063
  539    HZ   PHE  66           HZ       PHE  69  11.551  13.787   5.492
  540    H    GLN  67           H        GLN  70  15.012   9.357   0.909
  541    HA   GLN  67           HA       GLN  70  12.238   9.271   0.996
  542   1HB   GLN  67          1HB       GLN  70  14.126   7.531  -0.630
  543   2HB   GLN  67          2HB       GLN  70  12.395   7.695  -0.953
  544   1HG   GLN  67          1HG       GLN  70  12.607  10.089  -1.357
  545   2HG   GLN  67          2HG       GLN  70  14.325  10.060  -0.972
  546   1HE2  GLN  67          1HE2      GLN  70  15.122   8.142  -4.021
  547   2HE2  GLN  67          2HE2      GLN  70  15.435   7.995  -2.294
  548    H    VAL  68           H        VAL  71  14.497   6.620   1.936
  549    HA   VAL  68           HA       VAL  71  12.499   4.607   2.255
  550    HB   VAL  68           HB       VAL  71  15.152   4.959   3.724
  551   1HG1  VAL  68          2HG1      VAL  71  13.380   2.506   3.362
  552   2HG1  VAL  68          3HG1      VAL  71  15.017   2.500   4.050
  553   3HG1  VAL  68          1HG1      VAL  71  13.715   3.346   4.891
  554   1HG2  VAL  68          1HG2      VAL  71  14.465   3.389   1.196
  555   2HG2  VAL  68          2HG2      VAL  71  15.469   4.851   1.259
  556   3HG2  VAL  68          3HG2      VAL  71  16.029   3.369   2.036
  557    H    LEU  69           H        LEU  72  13.953   6.929   4.594
  558    HA   LEU  69           HA       LEU  72  12.385   6.175   6.820
  559   1HB   LEU  69          1HB       LEU  72  14.374   7.541   7.025
  560   2HB   LEU  69          2HB       LEU  72  13.613   8.866   6.137
  561    HG   LEU  69           HG       LEU  72  11.975   9.189   7.913
  562   1HD1  LEU  69          2HD1      LEU  72  13.410   6.970   9.429
  563   2HD1  LEU  69          3HD1      LEU  72  12.182   8.056  10.093
  564   3HD1  LEU  69          1HD1      LEU  72  11.731   6.907   8.838
  565   1HD2  LEU  69          1HD2      LEU  72  14.880   9.013   8.850
  566   2HD2  LEU  69          2HD2      LEU  72  14.101  10.398   8.052
  567   3HD2  LEU  69          3HD2      LEU  72  13.601   9.903   9.682
  568    H    VAL  70           H        VAL  73  11.748   8.539   4.195
  569    HA   VAL  70           HA       VAL  73   9.281   9.492   5.222
  570    HB   VAL  70           HB       VAL  73  10.156   9.167   2.314
  571   1HG1  VAL  70          2HG1      VAL  73   7.861  10.805   3.457
  572   2HG1  VAL  70          3HG1      VAL  73   8.458  10.873   1.790
  573   3HG1  VAL  70          1HG1      VAL  73   7.705   9.391   2.390
  574   1HG2  VAL  70          2HG2      VAL  73  11.599  10.675   3.688
  575   2HG2  VAL  70          3HG2      VAL  73  10.675  11.564   2.473
  576   3HG2  VAL  70          1HG2      VAL  73  10.157  11.584   4.172
  577    H    LYS  71           H        LYS  74   9.946   6.623   3.086
  578    HA   LYS  71           HA       LYS  74   7.207   5.796   2.954
  579   1HB   LYS  71          1HB       LYS  74   9.732   4.093   2.877
  580   2HB   LYS  71          2HB       LYS  74   8.115   3.522   2.478
  581   1HG   LYS  71          1HG       LYS  74   9.556   5.761   1.000
  582   2HG   LYS  71          2HG       LYS  74   9.521   4.066   0.505
  583   1HD   LYS  71          1HD       LYS  74   7.002   4.196   0.405
  584   2HD   LYS  71          2HD       LYS  74   7.114   5.939   0.710
  585   1HE   LYS  71          1HE       LYS  74   8.355   4.457  -1.654
  586   2HE   LYS  71          2HE       LYS  74   6.890   5.449  -1.697
  587   1HZ   LYS  71          1HZ       LYS  74   8.216   7.332  -1.055
  588   2HZ   LYS  71          2HZ       LYS  74   9.583   6.413  -1.039
  589   3HZ   LYS  71          3HZ       LYS  74   8.778   6.664  -2.453
  590    H    LYS  72           H        LYS  75   9.717   5.203   5.437
  591    HA   LYS  72           HA       LYS  75   8.087   3.384   6.926
  592   1HB   LYS  72          1HB       LYS  75  10.415   5.072   7.899
  593   2HB   LYS  72          2HB       LYS  75   9.672   3.755   8.788
  594   1HG   LYS  72          1HG       LYS  75  11.288   3.563   6.237
  595   2HG   LYS  72          2HG       LYS  75  11.693   2.935   7.819
  596   1HD   LYS  72          1HD       LYS  75   9.514   1.969   5.921
  597   2HD   LYS  72          2HD       LYS  75  11.009   1.133   6.324
  598   1HE   LYS  72          1HE       LYS  75   8.716   1.664   8.279
  599   2HE   LYS  72          2HE       LYS  75   9.097   0.124   7.508
  600   1HZ   LYS  72          1HZ       LYS  75  11.192   0.141   8.646
  601   2HZ   LYS  72          2HZ       LYS  75  10.837   1.585   9.362
  602   3HZ   LYS  72          3HZ       LYS  75   9.934   0.249   9.710
  603    H    ILE  73           H        ILE  76   7.702   6.825   6.703
  604    HA   ILE  73           HA       ILE  76   6.879   7.530   9.280
  605    HB   ILE  73           HB       ILE  76   5.592   8.443   6.687
  606   1HG1  ILE  73          1HG1      ILE  76   7.872   9.807   8.209
  607   2HG1  ILE  73          2HG1      ILE  76   8.101   8.791   6.846
  608   1HG2  ILE  73          1HG2      ILE  76   4.249   8.981   8.733
  609   2HG2  ILE  73          2HG2      ILE  76   5.685   9.721   9.460
  610   3HG2  ILE  73          3HG2      ILE  76   4.918  10.436   8.028
  611   1HD1  ILE  73          1HD1      ILE  76   6.618  10.301   5.479
  612   2HD1  ILE  73          2HD1      ILE  76   6.489  11.385   6.879
  613   3HD1  ILE  73          3HD1      ILE  76   8.053  11.123   6.126
  614    H    SER  74           H        SER  77   5.705   6.115  10.469
  615    HA   SER  74           HA       SER  77   4.171   4.515  11.042
  616   1HB   SER  74          1HB       SER  77   2.352   6.647   9.834
  617   2HB   SER  74          2HB       SER  77   1.820   5.361  10.933
  618    HG   SER  74           HG       SER  77   3.953   7.113  11.596
  619    H    GLN  75           H        GLN  78   5.410   3.877   8.711
  620    HA   GLN  75           HA       GLN  78   4.767   3.079   6.462
  621   1HB   GLN  75          1HB       GLN  78   5.269   0.613   6.994
  622   2HB   GLN  75          2HB       GLN  78   6.458   1.853   7.394
  623   1HG   GLN  75          1HG       GLN  78   5.819   1.917   9.693
  624   2HG   GLN  75          2HG       GLN  78   4.427   0.866   9.418
  625   1HE2  GLN  75          1HE2      GLN  78   6.430  -2.141   9.143
  626   2HE2  GLN  75          2HE2      GLN  78   4.973  -1.383   8.519
   
  No H/Q in entry =         627
  Start of MODEL           3
 Raw file had 628 H/Q atoms
  Start of MODEL    3
    1   1H    SER  -2           1H       SER   1   1.302   9.444   9.423
    2   2H    SER  -2           2H       SER   1   1.774   8.618   8.072
    3   3H    SER  -2           3H       SER   1   2.869   8.914   9.267
    4    HA   SER  -2           HA       SER   1   2.944  11.132   8.977
    5   1HB   SER  -2          1HB       SER   1   2.989   9.848   6.212
    6   2HB   SER  -2          2HB       SER   1   3.947  11.238   6.754
    7    HG   SER  -2           HG       SER   1   5.072   9.173   6.855
    8    H    ALA  -1           H        ALA   2   2.103  13.123   8.129
    9    HA   ALA  -1           HA       ALA   2  -0.775  12.937   7.440
   10   1HB   ALA  -1          1HB       ALA   2   0.018  14.356   9.333
   11   2HB   ALA  -1          2HB       ALA   2   0.892  15.372   8.169
   12   3HB   ALA  -1          3HB       ALA   2  -0.880  15.246   8.097
   13    H    GLN   0           H        GLN   3  -0.164  15.815   6.220
   14    HA   GLN   0           HA       GLN   3  -0.425  15.026   3.535
   15   1HB   GLN   0          1HB       GLN   3  -1.109  17.220   4.562
   16   2HB   GLN   0          2HB       GLN   3   0.599  17.700   4.586
   17   1HG   GLN   0          1HG       GLN   3   0.660  17.447   2.088
   18   2HG   GLN   0          2HG       GLN   3  -1.035  16.946   2.115
   19   1HE2  GLN   0          1HE2      GLN   3  -0.079  20.917   2.697
   20   2HE2  GLN   0          2HE2      GLN   3   1.170  19.695   2.906
   21    H    LYS   1           H        LYS   4   1.035  14.475   1.994
   22    HA   LYS   1           HA       LYS   4   3.891  15.176   2.181
   23   1HB   LYS   1          1HB       LYS   4   2.716  12.371   1.874
   24   2HB   LYS   1          2HB       LYS   4   4.385  12.768   1.493
   25   1HG   LYS   1          1HG       LYS   4   3.071  12.980   4.236
   26   2HG   LYS   1          2HG       LYS   4   4.121  11.679   3.699
   27   1HD   LYS   1          1HD       LYS   4   4.899  14.601   4.151
   28   2HD   LYS   1          2HD       LYS   4   5.349  13.216   5.132
   29   1HE   LYS   1          1HE       LYS   4   6.262  13.773   2.281
   30   2HE   LYS   1          2HE       LYS   4   7.228  13.885   3.753
   31   1HZ   LYS   1          1HZ       LYS   4   6.887  11.521   4.063
   32   2HZ   LYS   1          2HZ       LYS   4   6.064  11.429   2.638
   33   3HZ   LYS   1          3HZ       LYS   4   7.655  11.855   2.647
   34    H    SER   2           H        SER   5   4.771  15.344   0.079
   35    HA   SER   2           HA       SER   5   3.482  14.429  -2.277
   36   1HB   SER   2          1HB       SER   5   3.108  17.336  -1.452
   37   2HB   SER   2          2HB       SER   5   3.222  16.902  -3.166
   38    HG   SER   2           HG       SER   5   1.431  15.578  -1.431
   39    HA   PRO   3           HA       PRO   6   7.689  14.714  -3.476
   40   1HB   PRO   3          1HB       PRO   6   6.811  16.006  -6.079
   41   2HB   PRO   3          2HB       PRO   6   7.969  14.678  -5.813
   42   1HG   PRO   3          1HG       PRO   6   5.429  14.133  -6.585
   43   2HG   PRO   3          2HG       PRO   6   6.190  13.160  -5.291
   44   1HD   PRO   3          1HD       PRO   6   4.247  15.465  -4.985
   45   2HD   PRO   3          2HD       PRO   6   4.259  13.863  -4.194
   46    H    ALA   4           H        ALA   7   6.342  17.734  -4.980
   47    HA   ALA   4           HA       ALA   7   8.612  19.288  -4.466
   48   1HB   ALA   4          1HB       ALA   7   6.827  19.915  -6.075
   49   2HB   ALA   4          2HB       ALA   7   5.717  20.215  -4.717
   50   3HB   ALA   4          3HB       ALA   7   7.158  21.231  -4.931
   51    H    GLU   5           H        GLU   8   6.023  18.587  -2.407
   52    HA   GLU   5           HA       GLU   8   6.474  20.617  -0.399
   53   1HB   GLU   5          1HB       GLU   8   4.344  19.415  -0.591
   54   2HB   GLU   5          2HB       GLU   8   5.136  17.897  -0.140
   55   1HG   GLU   5          1HG       GLU   8   5.668  18.830   2.095
   56   2HG   GLU   5          2HG       GLU   8   4.890  20.356   1.634
   57    H    LEU   6           H        LEU   9   7.241  17.070  -0.320
   58    HA   LEU   6           HA       LEU   9   8.939  17.412   1.926
   59   1HB   LEU   6          1HB       LEU   9   9.569  15.118   1.736
   60   2HB   LEU   6          2HB       LEU   9   7.850  15.321   1.421
   61    HG   LEU   6           HG       LEU   9   8.626  15.338  -1.127
   62   1HD1  LEU   6          1HD1      LEU   9  11.093  15.191  -0.649
   63   2HD1  LEU   6          2HD1      LEU   9  10.803  13.671   0.210
   64   3HD1  LEU   6          3HD1      LEU   9  10.494  13.785  -1.532
   65   1HD2  LEU   6          1HD2      LEU   9   8.412  12.873   0.613
   66   2HD2  LEU   6          2HD2      LEU   9   7.072  13.741  -0.165
   67   3HD2  LEU   6          3HD2      LEU   9   8.259  12.882  -1.160
   68    H    LYS   7           H        LYS  10   9.539  17.574  -1.395
   69    HA   LYS   7           HA       LYS  10  12.406  17.670  -1.430
   70   1HB   LYS   7          1HB       LYS  10  10.203  18.703  -3.195
   71   2HB   LYS   7          2HB       LYS  10  11.806  19.218  -3.570
   72   1HG   LYS   7          1HG       LYS  10  12.584  16.863  -3.697
   73   2HG   LYS   7          2HG       LYS  10  10.958  16.299  -3.267
   74   1HD   LYS   7          1HD       LYS  10  10.056  17.394  -5.323
   75   2HD   LYS   7          2HD       LYS  10  11.697  17.921  -5.749
   76   1HE   LYS   7          1HE       LYS  10  12.431  15.544  -5.851
   77   2HE   LYS   7          2HE       LYS  10  10.794  15.017  -5.413
   78   1HZ   LYS   7          1HZ       LYS  10  10.000  16.034  -7.423
   79   2HZ   LYS   7          2HZ       LYS  10  11.524  16.518  -7.828
   80   3HZ   LYS   7          3HZ       LYS  10  11.161  14.912  -7.756
   81    H    SER   8           H        SER  11  10.030  20.396  -1.387
   82    HA   SER   8           HA       SER  11  11.896  22.450  -0.976
   83   1HB   SER   8          1HB       SER  11   9.009  22.281  -0.005
   84   2HB   SER   8          2HB       SER  11  10.002  23.750  -0.062
   85    HG   SER   8           HG       SER  11   9.183  22.132  -2.241
   86    H    ILE   9           H        ILE  12  10.064  20.570   1.520
   87    HA   ILE   9           HA       ILE  12  11.177  21.934   3.756
   88    HB   ILE   9           HB       ILE  12  10.123  19.097   3.464
   89   1HG1  ILE   9          1HG1      ILE  12   8.812  21.550   4.728
   90   2HG1  ILE   9          2HG1      ILE  12   8.572  21.114   3.038
   91   1HG2  ILE   9          2HG2      ILE  12  10.757  20.670   6.006
   92   2HG2  ILE   9          3HG2      ILE  12   9.910  19.110   5.952
   93   3HG2  ILE   9          1HG2      ILE  12  11.589  19.206   5.447
   94   1HD1  ILE   9          1HD1      ILE  12   7.704  18.879   3.736
   95   2HD1  ILE   9          2HD1      ILE  12   7.771  19.419   5.430
   96   3HD1  ILE   9          3HD1      ILE  12   6.722  20.253   4.276
   97    H    PHE  10           H        PHE  13  12.203  18.845   2.247
   98    HA   PHE  10           HA       PHE  13  14.445  18.306   3.820
   99   1HB   PHE  10          1HB       PHE  13  13.471  16.743   2.208
  100   2HB   PHE  10          2HB       PHE  13  13.961  17.764   0.860
  101    HD1  PHE  10           HD2      PHE  13  16.416  18.055   0.317
  102    HD2  PHE  10           HD1      PHE  13  15.048  15.251   3.300
  103    HE1  PHE  10           HE2      PHE  13  18.673  17.123   0.496
  104    HE2  PHE  10           HE1      PHE  13  17.245  14.126   3.240
  105    HZ   PHE  10           HZ       PHE  13  19.091  15.093   1.901
  106    H    GLU  11           H        GLU  14  14.345  20.084   0.698
  107    HA   GLU  11           HA       GLU  14  17.081  20.788   0.607
  108   1HB   GLU  11          1HB       GLU  14  14.597  22.074  -0.586
  109   2HB   GLU  11          2HB       GLU  14  16.243  22.614  -0.952
  110   1HG   GLU  11          1HG       GLU  14  16.852  20.483  -1.900
  111   2HG   GLU  11          2HG       GLU  14  15.361  19.718  -1.345
  112    H    LYS  12           H        LYS  15  14.276  22.620   1.960
  113    HA   LYS  12           HA       LYS  15  15.708  24.920   2.666
  114   1HB   LYS  12          1HB       LYS  15  13.260  24.784   2.686
  115   2HB   LYS  12          2HB       LYS  15  13.304  23.637   4.031
  116   1HG   LYS  12          1HG       LYS  15  12.701  25.866   4.791
  117   2HG   LYS  12          2HG       LYS  15  14.225  25.349   5.522
  118   1HD   LYS  12          1HD       LYS  15  15.498  26.772   3.942
  119   2HD   LYS  12          2HD       LYS  15  14.008  27.158   3.062
  120   1HE   LYS  12          1HE       LYS  15  14.638  29.013   4.513
  121   2HE   LYS  12          2HE       LYS  15  13.120  28.304   5.087
  122   1HZ   LYS  12          2HZ       LYS  15  15.793  27.752   6.186
  123   2HZ   LYS  12          3HZ       LYS  15  14.668  28.753   6.859
  124   3HZ   LYS  12          1HZ       LYS  15  14.373  27.136   6.751
  125    OH   TYR  13           OH       TYR  16  12.639  21.426  10.919
  126    H    TYR  13           H        TYR  16  15.308  21.831   4.441
  127    HA   TYR  13           HA       TYR  16  16.752  22.775   6.784
  128   1HB   TYR  13          1HB       TYR  16  15.762  20.111   5.778
  129   2HB   TYR  13          2HB       TYR  16  17.078  20.137   6.945
  130    HD1  TYR  13           HD2      TYR  16  13.756  21.879   6.527
  131    HD2  TYR  13           HD1      TYR  16  16.472  19.804   9.191
  132    HE1  TYR  13           HE2      TYR  16  12.181  22.167   8.402
  133    HE2  TYR  13           HE1      TYR  16  15.020  20.259  11.038
  134    HH   TYR  13           HH       TYR  16  11.807  21.831  10.670
  135    H    ALA  14           H        ALA  17  17.634  20.446   4.207
  136    HA   ALA  14           HA       ALA  17  20.292  20.094   4.923
  137   1HB   ALA  14          2HB       ALA  17  18.927  19.886   2.216
  138   2HB   ALA  14          3HB       ALA  17  20.590  19.357   2.547
  139   3HB   ALA  14          1HB       ALA  17  19.245  18.605   3.427
  140    H    ALA  15           H        ALA  18  18.939  22.751   2.951
  141    HA   ALA  15           HA       ALA  18  21.327  23.777   1.907
  142   1HB   ALA  15          2HB       ALA  18  18.861  25.266   2.886
  143   2HB   ALA  15          3HB       ALA  18  20.141  25.952   1.857
  144   3HB   ALA  15          1HB       ALA  18  19.151  24.609   1.255
  145    H    LYS  16           H        LYS  19  20.140  23.948   5.287
  146    HA   LYS  16           HA       LYS  19  21.864  26.051   6.151
  147   1HB   LYS  16          1HB       LYS  19  20.827  23.643   7.695
  148   2HB   LYS  16          2HB       LYS  19  21.571  25.083   8.393
  149   1HG   LYS  16          1HG       LYS  19  19.818  26.505   7.349
  150   2HG   LYS  16          2HG       LYS  19  18.944  25.068   6.812
  151   1HD   LYS  16          1HD       LYS  19  19.690  25.375   9.748
  152   2HD   LYS  16          2HD       LYS  19  18.358  26.322   9.088
  153   1HE   LYS  16          1HE       LYS  19  17.556  24.245  10.134
  154   2HE   LYS  16          2HE       LYS  19  17.132  24.353   8.422
  155   1HZ   LYS  16          2HZ       LYS  19  19.402  22.829   9.498
  156   2HZ   LYS  16          3HZ       LYS  19  17.943  22.184   9.075
  157   3HZ   LYS  16          1HZ       LYS  19  18.907  22.866   7.925
  158    H    GLU  17           H        GLU  20  22.511  22.698   5.353
  159    HA   GLU  17           HA       GLU  20  25.098  22.527   6.696
  160   1HB   GLU  17          1HB       GLU  20  23.977  20.863   4.440
  161   2HB   GLU  17          2HB       GLU  20  25.186  20.363   5.626
  162   1HG   GLU  17          1HG       GLU  20  22.213  20.876   6.232
  163   2HG   GLU  17          2HG       GLU  20  22.982  19.315   5.987
  164    H    GLY  18           H        GLY  21  24.008  24.172   3.960
  165   1HA   GLY  18          1HA       GLY  21  25.340  25.419   2.495
  166   2HA   GLY  18          2HA       GLY  21  26.727  24.343   2.761
  167    H    ASP  19           H        ASP  22  25.908  21.883   2.321
  168    HA   ASP  19           HA       ASP  22  25.312  21.769  -0.534
  169   1HB   ASP  19          1HB       ASP  22  26.946  20.234   0.330
  170   2HB   ASP  19          2HB       ASP  22  25.822  19.636   1.565
  171    HA   PRO  20           HA       PRO  23  20.890  21.268   0.655
  172   1HB   PRO  20          1HB       PRO  23  19.692  21.788  -1.696
  173   2HB   PRO  20          2HB       PRO  23  20.543  23.068  -0.791
  174   1HG   PRO  20          1HG       PRO  23  21.650  21.412  -3.084
  175   2HG   PRO  20          2HG       PRO  23  21.631  23.192  -2.938
  176   1HD   PRO  20          1HD       PRO  23  23.792  21.674  -2.214
  177   2HD   PRO  20          2HD       PRO  23  23.345  23.169  -1.339
  178    H    ASN  21           H        ASN  24  22.178  18.950   0.773
  179    HA   ASN  21           HA       ASN  24  20.441  17.159  -0.738
  180   1HB   ASN  21          1HB       ASN  24  22.910  17.745  -1.929
  181   2HB   ASN  21          2HB       ASN  24  23.176  16.183  -1.150
  182   1HD2  ASN  21          1HD2      ASN  24  20.180  16.571  -4.014
  183   2HD2  ASN  21          2HD2      ASN  24  20.575  17.920  -2.941
  184    H    GLN  22           H        GLN  25  21.826  17.767   2.208
  185    HA   GLN  22           HA       GLN  25  21.012  15.111   3.110
  186   1HB   GLN  22          1HB       GLN  25  23.553  16.184   4.303
  187   2HB   GLN  22          2HB       GLN  25  23.029  14.528   4.163
  188   1HG   GLN  22          1HG       GLN  25  23.747  14.503   1.736
  189   2HG   GLN  22          2HG       GLN  25  24.253  16.194   1.905
  190   1HE2  GLN  22          1HE2      GLN  25  26.558  13.221   3.584
  191   2HE2  GLN  22          2HE2      GLN  25  24.906  12.872   3.069
  192    H    LEU  23           H        LEU  26  20.814  15.020   5.400
  193    HA   LEU  23           HA       LEU  26  21.251  17.590   6.678
  194   1HB   LEU  23          1HB       LEU  26  19.362  15.338   7.692
  195   2HB   LEU  23          2HB       LEU  26  19.511  16.961   8.348
  196    HG   LEU  23           HG       LEU  26  18.744  17.613   5.878
  197   1HD1  LEU  23          2HD1      LEU  26  17.470  14.869   6.334
  198   2HD1  LEU  23          3HD1      LEU  26  16.952  16.052   5.122
  199   3HD1  LEU  23          1HD1      LEU  26  18.557  15.309   5.002
  200   1HD2  LEU  23          2HD2      LEU  26  17.611  18.160   8.058
  201   2HD2  LEU  23          3HD2      LEU  26  16.480  17.845   6.730
  202   3HD2  LEU  23          1HD2      LEU  26  16.767  16.602   7.965
  203    H    SER  24           H        SER  27  22.662  17.515   8.525
  204    HA   SER  24           HA       SER  27  23.951  14.922   9.007
  205   1HB   SER  24          1HB       SER  27  24.352  17.527  10.528
  206   2HB   SER  24          2HB       SER  27  25.396  16.097  10.515
  207    HG   SER  24           HG       SER  27  24.846  17.880   8.385
  208    H    LYS  25           H        LYS  28  24.029  14.137  11.335
  209    HA   LYS  25           HA       LYS  28  21.674  13.259  12.286
  210   1HB   LYS  25          1HB       LYS  28  23.968  12.648  13.061
  211   2HB   LYS  25          2HB       LYS  28  23.962  14.073  14.116
  212   1HG   LYS  25          1HG       LYS  28  21.955  13.158  15.295
  213   2HG   LYS  25          2HG       LYS  28  21.956  11.765  14.191
  214   1HD   LYS  25          1HD       LYS  28  24.204  11.118  14.992
  215   2HD   LYS  25          2HD       LYS  28  24.227  12.512  16.091
  216   1HE   LYS  25          1HE       LYS  28  22.264  11.624  17.299
  217   2HE   LYS  25          2HE       LYS  28  22.147  10.271  16.159
  218   1HZ   LYS  25          1HZ       LYS  28  24.295   9.544  16.894
  219   2HZ   LYS  25          2HZ       LYS  28  24.402  10.794  17.964
  220   3HZ   LYS  25          3HZ       LYS  28  23.245   9.635  18.159
  221    H    GLU  26           H        GLU  29  23.046  16.397  13.394
  222    HA   GLU  26           HA       GLU  29  20.999  16.966  15.297
  223   1HB   GLU  26          1HB       GLU  29  22.798  18.866  13.714
  224   2HB   GLU  26          2HB       GLU  29  21.768  19.314  15.070
  225   1HG   GLU  26          1HG       GLU  29  23.998  19.052  15.902
  226   2HG   GLU  26          2HG       GLU  29  23.013  17.736  16.547
  227    H    GLU  27           H        GLU  30  21.401  18.231  11.957
  228    HA   GLU  27           HA       GLU  30  18.925  19.604  11.864
  229   1HB   GLU  27          1HB       GLU  30  20.713  18.503   9.656
  230   2HB   GLU  27          2HB       GLU  30  19.265  19.476   9.371
  231   1HG   GLU  27          1HG       GLU  30  21.116  20.983   9.316
  232   2HG   GLU  27          2HG       GLU  30  20.203  21.301  10.793
  233    H    LEU  28           H        LEU  31  19.743  16.190  11.117
  234    HA   LEU  28           HA       LEU  31  17.153  15.645  10.000
  235   1HB   LEU  28          1HB       LEU  31  17.973  13.645   9.552
  236   2HB   LEU  28          2HB       LEU  31  19.508  14.293  10.123
  237    HG   LEU  28           HG       LEU  31  19.085  13.273  12.365
  238   1HD1  LEU  28          2HD1      LEU  31  16.690  12.049  10.898
  239   2HD1  LEU  28          3HD1      LEU  31  17.464  11.250  12.275
  240   3HD1  LEU  28          1HD1      LEU  31  16.690  12.791  12.517
  241   1HD2  LEU  28          2HD2      LEU  31  20.442  12.231  10.555
  242   2HD2  LEU  28          3HD2      LEU  31  19.617  11.061  11.614
  243   3HD2  LEU  28          1HD2      LEU  31  18.945  11.425  10.009
  244    H    LYS  29           H        LYS  32  18.552  15.122  13.263
  245    HA   LYS  29           HA       LYS  32  16.308  14.111  14.586
  246   1HB   LYS  29          1HB       LYS  32  18.291  14.232  15.847
  247   2HB   LYS  29          2HB       LYS  32  18.601  15.901  15.411
  248   1HG   LYS  29          1HG       LYS  32  18.082  15.826  17.710
  249   2HG   LYS  29          2HG       LYS  32  16.799  16.708  16.869
  250   1HD   LYS  29          1HD       LYS  32  15.314  14.760  17.027
  251   2HD   LYS  29          2HD       LYS  32  16.634  13.739  17.618
  252   1HE   LYS  29          1HE       LYS  32  15.097  14.464  19.436
  253   2HE   LYS  29          2HE       LYS  32  16.768  14.979  19.703
  254   1HZ   LYS  29          2HZ       LYS  32  14.653  16.688  18.591
  255   2HZ   LYS  29          3HZ       LYS  32  15.170  16.707  20.156
  256   3HZ   LYS  29          1HZ       LYS  32  16.195  17.144  18.944
  257    H    GLN  30           H        GLN  33  17.155  17.529  14.015
  258    HA   GLN  30           HA       GLN  33  14.856  18.669  15.151
  259   1HB   GLN  30          1HB       GLN  33  16.593  19.609  12.835
  260   2HB   GLN  30          2HB       GLN  33  15.338  20.608  13.577
  261   1HG   GLN  30          1HG       GLN  33  16.492  20.739  15.647
  262   2HG   GLN  30          2HG       GLN  33  17.528  19.363  15.281
  263   1HE2  GLN  30          1HE2      GLN  33  18.418  22.869  13.283
  264   2HE2  GLN  30          2HE2      GLN  33  16.732  22.441  13.530
  265    H    LEU  31           H        LEU  34  15.418  17.864  11.617
  266    HA   LEU  31           HA       LEU  34  12.890  18.426  10.711
  267   1HB   LEU  31          1HB       LEU  34  14.822  17.759   9.258
  268   2HB   LEU  31          2HB       LEU  34  14.655  16.110   9.834
  269    HG   LEU  31           HG       LEU  34  12.420  15.908   8.846
  270   1HD1  LEU  31          2HD1      LEU  34  12.910  18.728   7.780
  271   2HD1  LEU  31          3HD1      LEU  34  11.614  17.635   7.252
  272   3HD1  LEU  31          1HD1      LEU  34  11.618  18.244   8.904
  273   1HD2  LEU  31          2HD2      LEU  34  14.469  15.330   7.540
  274   2HD2  LEU  31          3HD2      LEU  34  13.084  15.803   6.538
  275   3HD2  LEU  31          1HD2      LEU  34  14.406  16.949   6.804
  276    H    ILE  32           H        ILE  35  13.934  15.423  11.927
  277    HA   ILE  32           HA       ILE  35  11.572  13.897  11.663
  278    HB   ILE  32           HB       ILE  35  13.725  13.635  13.780
  279   1HG1  ILE  32          1HG1      ILE  35  14.546  13.319  11.461
  280   2HG1  ILE  32          2HG1      ILE  35  14.649  11.870  12.458
  281   1HG2  ILE  32          2HG2      ILE  35  11.604  11.585  13.044
  282   2HG2  ILE  32          3HG2      ILE  35  13.015  11.254  14.027
  283   3HG2  ILE  32          1HG2      ILE  35  11.803  12.367  14.620
  284   1HD1  ILE  32          2HD1      ILE  35  12.552  12.412  10.309
  285   2HD1  ILE  32          3HD1      ILE  35  14.008  11.420  10.159
  286   3HD1  ILE  32          1HD1      ILE  35  12.718  10.907  11.252
  287    H    GLN  33           H        GLN  36  12.619  15.503  14.513
  288    HA   GLN  33           HA       GLN  36  10.069  15.209  15.847
  289   1HB   GLN  33          1HB       GLN  36  12.289  17.224  16.406
  290   2HB   GLN  33          2HB       GLN  36  10.884  16.954  17.451
  291   1HG   GLN  33          1HG       GLN  36  13.001  14.865  16.774
  292   2HG   GLN  33          2HG       GLN  36  12.847  15.759  18.291
  293   1HE2  GLN  33          1HE2      GLN  36  10.344  12.572  17.492
  294   2HE2  GLN  33          2HE2      GLN  36  11.370  13.277  16.262
  295    H    ALA  34           H        ALA  37  11.191  17.750  13.641
  296    HA   ALA  34           HA       ALA  37   9.045  19.552  14.192
  297   1HB   ALA  34          1HB       ALA  37  11.080  20.201  12.963
  298   2HB   ALA  34          2HB       ALA  37  10.588  19.180  11.594
  299   3HB   ALA  34          3HB       ALA  37   9.602  20.578  12.055
  300    H    GLU  35           H        GLU  38   9.312  16.754  11.968
  301    HA   GLU  35           HA       GLU  38   6.574  17.196  10.941
  302   1HB   GLU  35          1HB       GLU  38   8.523  14.907  10.452
  303   2HB   GLU  35          2HB       GLU  38   7.005  15.220   9.574
  304   1HG   GLU  35          1HG       GLU  38   7.879  17.384   8.791
  305   2HG   GLU  35          2HG       GLU  38   9.448  16.994   9.511
  306    H    PHE  36           H        PHE  39   6.095  14.230  10.869
  307    HA   PHE  36           HA       PHE  39   4.636  14.155  13.181
  308   1HB   PHE  36          1HB       PHE  39   4.678  11.577  11.733
  309   2HB   PHE  36          2HB       PHE  39   3.300  12.560  12.181
  310    HD1  PHE  36           HD2      PHE  39   2.816  14.678  10.776
  311    HD2  PHE  36           HD1      PHE  39   5.716  11.728   9.555
  312    HE1  PHE  36           HE2      PHE  39   3.152  15.878   8.635
  313    HE2  PHE  36           HE1      PHE  39   6.060  12.954   7.443
  314    HZ   PHE  36           HZ       PHE  39   4.742  15.006   6.953
  315    HA   PRO  37           HA       PRO  40   7.750  10.573  14.608
  316   1HB   PRO  37          1HB       PRO  40   9.811  12.512  14.091
  317   2HB   PRO  37          2HB       PRO  40   9.938  10.713  14.146
  318   1HG   PRO  37          1HG       PRO  40   9.796  11.976  11.710
  319   2HG   PRO  37          2HG       PRO  40   8.744  10.561  12.019
  320   1HD   PRO  37          1HD       PRO  40   8.014  13.513  12.376
  321   2HD   PRO  37          2HD       PRO  40   7.051  12.256  11.555
  322    H    SER  38           H        SER  41   6.982  13.747  15.400
  323    HA   SER  38           HA       SER  41   8.477  14.408  17.685
  324   1HB   SER  38          1HB       SER  41   5.956  15.449  18.129
  325   2HB   SER  38          2HB       SER  41   7.202  16.207  17.141
  326    HG   SER  38           HG       SER  41   6.159  15.659  15.340
  327    H    LEU  39           H        LEU  42   5.764  12.219  17.182
  328    HA   LEU  39           HA       LEU  42   5.151  11.743  19.935
  329   1HB   LEU  39          1HB       LEU  42   3.918   9.785  19.128
  330   2HB   LEU  39          2HB       LEU  42   3.566  11.276  18.264
  331    HG   LEU  39           HG       LEU  42   5.099  10.464  16.383
  332   1HD1  LEU  39          2HD1      LEU  42   4.929   7.880  17.986
  333   2HD1  LEU  39          3HD1      LEU  42   5.296   7.943  16.251
  334   3HD1  LEU  39          1HD1      LEU  42   6.397   8.695  17.392
  335   1HD2  LEU  39          2HD2      LEU  42   2.638  10.413  16.286
  336   2HD2  LEU  39          3HD2      LEU  42   3.348   9.023  15.452
  337   3HD2  LEU  39          1HD2      LEU  42   2.638   8.817  17.068
  338    H    LEU  40           H        LEU  43   7.945  10.858  18.210
  339    HA   LEU  40           HA       LEU  43   9.684   9.663  18.532
  340   1HB   LEU  40          1HB       LEU  43   8.719   9.799  21.357
  341   2HB   LEU  40          2HB       LEU  43  10.236   8.972  20.974
  342    HG   LEU  40           HG       LEU  43   9.673  11.859  20.164
  343   1HD1  LEU  40          1HD1      LEU  43   9.546  11.662  22.615
  344   2HD1  LEU  40          2HD1      LEU  43  11.109  10.817  22.642
  345   3HD1  LEU  40          3HD1      LEU  43  11.018  12.515  22.125
  346   1HD2  LEU  40          1HD2      LEU  43  12.258  10.243  20.409
  347   2HD2  LEU  40          2HD2      LEU  43  11.524  10.812  18.894
  348   3HD2  LEU  40          3HD2      LEU  43  12.164  11.977  20.053
  349    H    LYS  41           H        LYS  44   7.163   7.980  20.075
  350    HA   LYS  41           HA       LYS  44   8.301   5.344  19.656
  351   1HB   LYS  41          1HB       LYS  44   6.788   5.893  21.531
  352   2HB   LYS  41          2HB       LYS  44   5.463   6.166  20.397
  353   1HG   LYS  41          1HG       LYS  44   5.311   4.000  21.533
  354   2HG   LYS  41          2HG       LYS  44   5.433   3.799  19.788
  355   1HD   LYS  41          1HD       LYS  44   7.813   3.164  19.984
  356   2HD   LYS  41          2HD       LYS  44   7.795   3.558  21.714
  357   1HE   LYS  41          1HE       LYS  44   7.653   1.141  21.388
  358   2HE   LYS  41          2HE       LYS  44   6.147   1.735  22.106
  359   1HZ   LYS  41          2HZ       LYS  44   6.571   1.145  19.255
  360   2HZ   LYS  41          3HZ       LYS  44   5.767   0.185  20.327
  361   3HZ   LYS  41          1HZ       LYS  44   5.160   1.664  19.930
  362    H    GLY  42           H        GLY  45   8.719   6.101  17.317
  363   1HA   GLY  42          1HA       GLY  45   6.485   5.814  15.431
  364   2HA   GLY  42          2HA       GLY  45   8.202   6.077  15.065
  365    HA   PRO  43           HA       PRO  46   7.028   1.528  14.418
  366   1HB   PRO  43          1HB       PRO  46   7.351   1.405  11.684
  367   2HB   PRO  43          2HB       PRO  46   5.814   1.816  12.495
  368   1HG   PRO  43          1HG       PRO  46   7.819   3.712  11.275
  369   2HG   PRO  43          2HG       PRO  46   6.042   3.749  11.154
  370   1HD   PRO  43          1HD       PRO  46   7.474   5.302  12.915
  371   2HD   PRO  43          2HD       PRO  46   5.839   4.703  13.310
  372    NH1  ARG  44           NH2      ARG  47  11.614   4.046   6.774
  373    NH2  ARG  44           NH1      ARG  47   9.507   5.008   6.820
  374    H    ARG  44           H        ARG  47   9.514   3.750  13.284
  375    HA   ARG  44           HA       ARG  47  11.646   1.757  13.772
  376   1HB   ARG  44          1HB       ARG  47  12.886   3.279  12.005
  377   2HB   ARG  44          2HB       ARG  47  11.940   1.857  11.541
  378   1HG   ARG  44          1HG       ARG  47  10.022   3.214  11.013
  379   2HG   ARG  44          2HG       ARG  47  10.871   4.701  11.512
  380   1HD   ARG  44          1HD       ARG  47  12.478   4.345   9.642
  381   2HD   ARG  44          2HD       ARG  47  11.690   2.799   9.270
  382    HE   ARG  44           HE       ARG  47   9.793   4.971   9.272
  383   1HH1  ARG  44          1HH2      ARG  47  12.421   3.688   7.263
  384   2HH1  ARG  44          2HH2      ARG  47  11.636   4.135   5.759
  385   1HH2  ARG  44          1HH1      ARG  47   8.686   5.323   7.332
  386   2HH2  ARG  44          2HH1      ARG  47   9.427   4.979   5.804
  387    H    THR  45           H        THR  48  13.183   2.606  15.284
  388    HA   THR  45           HA       THR  48  12.509   4.868  16.650
  389    HB   THR  45           HB       THR  48  14.755   2.916  16.823
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  14.615   5.479  18.443
  391   2HG2  THR  45          3HG2      THR  48  15.587   4.046  18.820
  392   3HG2  THR  45          1HG2      THR  48  15.951   4.976  17.375
  393    H    LEU  46           H        LEU  49  13.587   6.740  17.003
  394    HA   LEU  46           HA       LEU  49  14.241   8.262  14.680
  395   1HB   LEU  46          1HB       LEU  49  13.528   9.214  16.830
  396   2HB   LEU  46          2HB       LEU  49  15.087   8.845  17.566
  397    HG   LEU  46           HG       LEU  49  14.966  10.509  15.027
  398   1HD1  LEU  46          1HD1      LEU  49  13.287  11.489  16.580
  399   2HD1  LEU  46          2HD1      LEU  49  14.533  11.604  17.838
  400   3HD1  LEU  46          3HD1      LEU  49  14.680  12.547  16.336
  401   1HD2  LEU  46          1HD2      LEU  49  16.822  10.563  17.453
  402   2HD2  LEU  46          2HD2      LEU  49  17.226   9.911  15.852
  403   3HD2  LEU  46          3HD2      LEU  49  16.930  11.636  16.045
  404    H    ASP  47           H        ASP  50  16.350   6.874  17.194
  405    HA   ASP  47           HA       ASP  50  18.757   7.336  15.889
  406   1HB   ASP  47          1HB       ASP  50  18.646   6.813  18.276
  407   2HB   ASP  47          2HB       ASP  50  18.166   5.146  17.904
  408    H    ASP  48           H        ASP  51  16.505   4.690  15.637
  409    HA   ASP  48           HA       ASP  51  18.074   2.791  14.220
  410   1HB   ASP  48          1HB       ASP  51  16.158   2.036  15.358
  411   2HB   ASP  48          2HB       ASP  51  15.098   3.278  14.711
  412    H    LEU  49           H        LEU  52  15.481   4.978  12.962
  413    HA   LEU  49           HA       LEU  52  16.127   4.513  10.265
  414   1HB   LEU  49          1HB       LEU  52  14.702   6.358   9.698
  415   2HB   LEU  49          2HB       LEU  52  14.009   5.341  10.957
  416    HG   LEU  49           HG       LEU  52  15.042   7.182  12.572
  417   1HD1  LEU  49          1HD1      LEU  52  16.017   8.559  10.661
  418   2HD1  LEU  49          2HD1      LEU  52  14.356   8.825  10.114
  419   3HD1  LEU  49          3HD1      LEU  52  14.879   9.427  11.698
  420   1HD2  LEU  49          1HD2      LEU  52  12.447   7.482  11.026
  421   2HD2  LEU  49          2HD2      LEU  52  12.695   6.539  12.506
  422   3HD2  LEU  49          3HD2      LEU  52  12.835   8.303  12.552
  423    H    PHE  50           H        PHE  53  17.272   7.044  12.553
  424    HA   PHE  50           HA       PHE  53  18.875   8.582  10.872
  425   1HB   PHE  50          1HB       PHE  53  18.806   9.205  13.211
  426   2HB   PHE  50          2HB       PHE  53  19.186   7.587  13.685
  427    HD1  PHE  50           HD2      PHE  53  21.138   9.588  11.184
  428    HD2  PHE  50           HD1      PHE  53  21.078   7.574  14.994
  429    HE1  PHE  50           HE2      PHE  53  23.544   9.831  11.337
  430    HE2  PHE  50           HE1      PHE  53  23.531   7.740  15.103
  431    HZ   PHE  50           HZ       PHE  53  24.791   8.854  13.271
  432    H    GLN  51           H        GLN  54  19.883   5.581  12.627
  433    HA   GLN  51           HA       GLN  54  22.349   5.567  11.274
  434   1HB   GLN  51          1HB       GLN  54  21.869   4.560  13.508
  435   2HB   GLN  51          2HB       GLN  54  20.979   3.240  12.748
  436   1HG   GLN  51          1HG       GLN  54  23.864   3.813  11.931
  437   2HG   GLN  51          2HG       GLN  54  23.532   3.042  13.479
  438   1HE2  GLN  51          1HE2      GLN  54  22.971   0.838  10.068
  439   2HE2  GLN  51          2HE2      GLN  54  23.125   2.584   9.928
  440    H    GLU  52           H        GLU  55  19.332   3.735  10.553
  441    HA   GLU  52           HA       GLU  55  20.522   2.107   8.572
  442   1HB   GLU  52          1HB       GLU  55  18.472   1.366   8.018
  443   2HB   GLU  52          2HB       GLU  55  18.098   2.040   9.602
  444   1HG   GLU  52          1HG       GLU  55  17.295   4.134   8.358
  445   2HG   GLU  52          2HG       GLU  55  17.513   3.243   6.851
  446    H    LEU  53           H        LEU  56  19.330   5.434   8.443
  447    HA   LEU  53           HA       LEU  56  19.706   5.765   5.595
  448   1HB   LEU  53          1HB       LEU  56  19.466   7.717   7.903
  449   2HB   LEU  53          2HB       LEU  56  19.534   8.171   6.195
  450    HG   LEU  53           HG       LEU  56  17.431   6.208   7.187
  451   1HD1  LEU  53          1HD1      LEU  56  17.383   8.424   8.544
  452   2HD1  LEU  53          2HD1      LEU  56  16.873   9.176   7.015
  453   3HD1  LEU  53          3HD1      LEU  56  15.905   7.884   7.744
  454   1HD2  LEU  53          1HD2      LEU  56  17.591   8.187   4.901
  455   2HD2  LEU  53          2HD2      LEU  56  17.715   6.420   4.771
  456   3HD2  LEU  53          3HD2      LEU  56  16.181   7.173   5.260
  457    H    ASP  54           H        ASP  57  21.608   6.769   8.454
  458    HA   ASP  54           HA       ASP  57  23.928   7.828   7.018
  459   1HB   ASP  54          1HB       ASP  57  23.132   8.514   9.291
  460   2HB   ASP  54          2HB       ASP  57  23.459   6.887   9.883
  461    H    LYS  55           H        LYS  58  23.792   5.784   5.617
  462    HA   LYS  55           HA       LYS  58  24.525   3.247   6.194
  463   1HB   LYS  55          1HB       LYS  58  24.026   4.212   3.968
  464   2HB   LYS  55          2HB       LYS  58  25.633   4.956   3.928
  465   1HG   LYS  55          1HG       LYS  58  26.666   2.675   4.013
  466   2HG   LYS  55          2HG       LYS  58  25.041   1.963   4.049
  467   1HD   LYS  55          1HD       LYS  58  24.536   2.995   1.850
  468   2HD   LYS  55          2HD       LYS  58  26.139   3.758   1.831
  469   1HE   LYS  55          1HE       LYS  58  27.208   1.505   1.873
  470   2HE   LYS  55          2HE       LYS  58  25.602   0.749   1.869
  471   1HZ   LYS  55          1HZ       LYS  58  25.198   1.781  -0.248
  472   2HZ   LYS  55          2HZ       LYS  58  26.689   2.480  -0.240
  473   3HZ   LYS  55          3HZ       LYS  58  26.550   0.841  -0.309
  474    H    ASN  56           H        ASN  59  26.891   5.941   5.941
  475    HA   ASN  56           HA       ASN  59  29.130   4.126   6.491
  476   1HB   ASN  56          1HB       ASN  59  30.554   5.974   6.110
  477   2HB   ASN  56          2HB       ASN  59  29.311   5.964   4.852
  478   1HD2  ASN  56          1HD2      ASN  59  29.655   9.496   5.835
  479   2HD2  ASN  56          2HD2      ASN  59  30.578   8.270   4.984
  480    H    GLY  57           H        GLY  60  26.901   5.475   8.593
  481   1HA   GLY  57          1HA       GLY  60  26.902   5.708  10.858
  482   2HA   GLY  57          2HA       GLY  60  28.449   4.869  10.891
  483    H    ASP  58           H        ASP  61  28.412   7.819   8.980
  484    HA   ASP  58           HA       ASP  61  30.347   9.014  10.820
  485   1HB   ASP  58          1HB       ASP  61  30.654   9.182   8.409
  486   2HB   ASP  58          2HB       ASP  61  29.099  10.019   8.238
  487    H    GLY  59           H        GLY  62  27.044   9.692   9.777
  488   1HA   GLY  59          1HA       GLY  62  25.567  10.590  11.648
  489   2HA   GLY  59          2HA       GLY  62  26.752  11.879  11.824
  490    H    GLU  60           H        GLU  63  25.736  10.425   8.748
  491    HA   GLU  60           HA       GLU  63  24.798  13.049   7.684
  492   1HB   GLU  60          1HB       GLU  63  25.947  10.492   6.449
  493   2HB   GLU  60          2HB       GLU  63  25.465  11.934   5.539
  494   1HG   GLU  60          1HG       GLU  63  27.148  13.324   6.740
  495   2HG   GLU  60          2HG       GLU  63  27.706  11.893   7.618
  496    H    VAL  61           H        VAL  64  22.719  13.046   6.696
  497    HA   VAL  61           HA       VAL  64  21.588  10.436   5.864
  498    HB   VAL  61           HB       VAL  64  20.274  12.346   7.828
  499   1HG1  VAL  61          2HG1      VAL  64  19.007  10.190   6.118
  500   2HG1  VAL  61          3HG1      VAL  64  18.306  10.819   7.621
  501   3HG1  VAL  61          1HG1      VAL  64  18.533  11.896   6.226
  502   1HG2  VAL  61          1HG2      VAL  64  21.127   9.413   7.757
  503   2HG2  VAL  61          2HG2      VAL  64  21.538  10.655   8.954
  504   3HG2  VAL  61          3HG2      VAL  64  19.923   9.940   8.897
  505    H    SER  62           H        SER  65  22.181  10.839   3.925
  506    HA   SER  62           HA       SER  65  21.806  13.255   2.454
  507   1HB   SER  62          1HB       SER  65  22.406  10.461   1.529
  508   2HB   SER  62          2HB       SER  65  22.822  11.977   0.689
  509    HG   SER  62           HG       SER  65  24.533  10.934   1.964
  510    H    PHE  63           H        PHE  66  20.570  13.463   0.472
  511    HA   PHE  63           HA       PHE  66  17.856  12.897   0.693
  512   1HB   PHE  63          1HB       PHE  66  18.811  14.652  -0.756
  513   2HB   PHE  63          2HB       PHE  66  19.430  13.428  -1.855
  514    HD1  PHE  63           HD1      PHE  66  16.262  14.706  -0.281
  515    HD2  PHE  63           HD2      PHE  66  17.993  12.502  -3.561
  516    HE1  PHE  63           HE1      PHE  66  14.030  14.507  -1.325
  517    HE2  PHE  63           HE2      PHE  66  15.749  12.268  -4.580
  518    HZ   PHE  63           HZ       PHE  66  13.762  13.270  -3.469
  519    H    GLU  64           H        GLU  67  20.235  11.089  -1.387
  520    HA   GLU  64           HA       GLU  67  18.311   9.357  -2.457
  521   1HB   GLU  64          1HB       GLU  67  20.087   7.969  -3.169
  522   2HB   GLU  64          2HB       GLU  67  20.527   9.652  -3.431
  523   1HG   GLU  64          1HG       GLU  67  21.521   7.922  -1.116
  524   2HG   GLU  64          2HG       GLU  67  22.371   8.149  -2.641
  525    H    GLU  65           H        GLU  68  19.949   9.257   0.653
  526    HA   GLU  65           HA       GLU  68  19.125   6.554   1.332
  527   1HB   GLU  65          1HB       GLU  68  20.099   8.816   3.136
  528   2HB   GLU  65          2HB       GLU  68  20.050   7.102   3.544
  529   1HG   GLU  65          1HG       GLU  68  21.719   6.542   1.906
  530   2HG   GLU  65          2HG       GLU  68  21.741   8.176   1.242
  531    H    PHE  66           H        PHE  69  18.145   9.853   2.223
  532    HA   PHE  66           HA       PHE  69  16.031   9.579   3.915
  533   1HB   PHE  66          1HB       PHE  69  17.053  11.684   3.119
  534   2HB   PHE  66          2HB       PHE  69  16.202  11.508   1.591
  535    HD1  PHE  66           HD2      PHE  69  15.568  11.839   5.269
  536    HD2  PHE  66           HD1      PHE  69  14.167  12.586   1.257
  537    HE1  PHE  66           HE2      PHE  69  13.722  13.237   6.165
  538    HE2  PHE  66           HE1      PHE  69  12.340  13.992   2.162
  539    HZ   PHE  66           HZ       PHE  69  12.087  14.287   4.618
  540    H    GLN  67           H        GLN  70  15.908   8.944   0.427
  541    HA   GLN  67           HA       GLN  70  13.194   8.801  -0.081
  542   1HB   GLN  67          1HB       GLN  70  15.360   6.847  -0.950
  543   2HB   GLN  67          2HB       GLN  70  13.747   6.958  -1.672
  544   1HG   GLN  67          1HG       GLN  70  14.162   9.306  -2.324
  545   2HG   GLN  67          2HG       GLN  70  15.792   9.223  -1.648
  546   1HE2  GLN  67          1HE2      GLN  70  16.983   6.928  -4.222
  547   2HE2  GLN  67          2HE2      GLN  70  17.067   7.131  -2.472
  548    H    VAL  68           H        VAL  71  15.143   6.249   1.626
  549    HA   VAL  68           HA       VAL  71  12.889   4.462   1.747
  550    HB   VAL  68           HB       VAL  71  15.365   3.870   1.917
  551   1HG1  VAL  68          1HG1      VAL  71  15.862   5.379   3.861
  552   2HG1  VAL  68          2HG1      VAL  71  14.898   4.318   4.902
  553   3HG1  VAL  68          3HG1      VAL  71  16.358   3.699   4.111
  554   1HG2  VAL  68          2HG2      VAL  71  13.542   2.231   2.131
  555   2HG2  VAL  68          3HG2      VAL  71  14.889   1.853   3.217
  556   3HG2  VAL  68          1HG2      VAL  71  13.412   2.583   3.869
  557    H    LEU  69           H        LEU  72  13.795   7.224   3.671
  558    HA   LEU  69           HA       LEU  72  12.125   6.499   5.956
  559   1HB   LEU  69          1HB       LEU  72  14.112   7.849   6.302
  560   2HB   LEU  69          2HB       LEU  72  13.537   9.079   5.174
  561    HG   LEU  69           HG       LEU  72  11.633   9.583   6.641
  562   1HD1  LEU  69          2HD1      LEU  72  12.930   7.571   8.525
  563   2HD1  LEU  69          3HD1      LEU  72  11.678   8.740   9.000
  564   3HD1  LEU  69          1HD1      LEU  72  11.301   7.470   7.833
  565   1HD2  LEU  69          2HD2      LEU  72  13.727  10.841   6.761
  566   2HD2  LEU  69          3HD2      LEU  72  12.879  10.774   8.308
  567   3HD2  LEU  69          1HD2      LEU  72  14.319   9.760   8.031
  568    H    VAL  70           H        VAL  73  12.031   8.799   3.213
  569    HA   VAL  70           HA       VAL  73   9.535   9.988   3.589
  570    HB   VAL  70           HB       VAL  73  11.017   9.090   1.072
  571   1HG1  VAL  70          2HG1      VAL  73   8.420  10.648   1.173
  572   2HG1  VAL  70          3HG1      VAL  73   9.527  10.648  -0.217
  573   3HG1  VAL  70          1HG1      VAL  73   8.752   9.145   0.293
  574   1HG2  VAL  70          2HG2      VAL  73  11.984  10.890   2.501
  575   2HG2  VAL  70          3HG2      VAL  73  11.565  11.444   0.871
  576   3HG2  VAL  70          1HG2      VAL  73  10.513  11.850   2.248
  577    H    LYS  71           H        LYS  74  10.170   6.762   2.206
  578    HA   LYS  71           HA       LYS  74   7.432   6.128   1.631
  579   1HB   LYS  71          1HB       LYS  74   9.814   4.371   2.348
  580   2HB   LYS  71          2HB       LYS  74   8.275   3.751   1.750
  581   1HG   LYS  71          1HG       LYS  74  10.012   5.721   0.192
  582   2HG   LYS  71          2HG       LYS  74  10.134   3.966   0.062
  583   1HD   LYS  71          1HD       LYS  74   7.772   3.837  -0.699
  584   2HD   LYS  71          2HD       LYS  74   7.612   5.594  -0.531
  585   1HE   LYS  71          1HE       LYS  74   7.987   5.047  -2.861
  586   2HE   LYS  71          2HE       LYS  74   9.376   5.946  -2.231
  587   1HZ   LYS  71          2HZ       LYS  74   9.236   3.026  -2.562
  588   2HZ   LYS  71          3HZ       LYS  74  10.018   4.073  -3.567
  589   3HZ   LYS  71          1HZ       LYS  74  10.541   3.875  -2.019
  590    H    LYS  72           H        LYS  75   6.183   6.847   3.315
  591    HA   LYS  72           HA       LYS  75   5.010   6.901   5.187
  592   1HB   LYS  72          1HB       LYS  75   5.932   4.035   5.357
  593   2HB   LYS  72          2HB       LYS  75   4.699   4.766   6.388
  594   1HG   LYS  72          1HG       LYS  75   3.427   3.703   4.781
  595   2HG   LYS  72          2HG       LYS  75   3.422   5.394   4.283
  596   1HD   LYS  72          1HD       LYS  75   3.595   3.881   2.385
  597   2HD   LYS  72          2HD       LYS  75   5.038   4.881   2.474
  598   1HE   LYS  72          1HE       LYS  75   6.310   2.979   3.460
  599   2HE   LYS  72          2HE       LYS  75   4.826   2.014   3.526
  600   1HZ   LYS  72          2HZ       LYS  75   6.107   3.031   1.089
  601   2HZ   LYS  72          3HZ       LYS  75   6.173   1.481   1.647
  602   3HZ   LYS  72          1HZ       LYS  75   4.736   2.115   1.147
  603    H    ILE  73           H        ILE  76   6.901   8.397   5.613
  604    HA   ILE  73           HA       ILE  76   8.990   8.175   7.286
  605    HB   ILE  73           HB       ILE  76   6.908  10.351   7.169
  606   1HG1  ILE  73          1HG1      ILE  76   9.627  10.011   5.982
  607   2HG1  ILE  73          2HG1      ILE  76   8.048  10.070   5.191
  608   1HG2  ILE  73          1HG2      ILE  76   8.018  10.442   9.454
  609   2HG2  ILE  73          2HG2      ILE  76   9.592  10.453   8.634
  610   3HG2  ILE  73          3HG2      ILE  76   8.452  11.803   8.448
  611   1HD1  ILE  73          1HD1      ILE  76   7.819  12.455   5.966
  612   2HD1  ILE  73          2HD1      ILE  76   9.497  12.370   6.560
  613   3HD1  ILE  73          3HD1      ILE  76   9.161  12.172   4.842
  614    H    SER  74           H        SER  77   5.721   8.637   8.884
  615    HA   SER  74           HA       SER  77   6.390   6.556  10.727
  616   1HB   SER  74          1HB       SER  77   7.942   8.288  11.673
  617   2HB   SER  74          2HB       SER  77   6.564   9.403  11.838
  618    HG   SER  74           HG       SER  77   7.091   8.224  13.775
  619    H    GLN  75           H        GLN  78   4.729   5.893  11.958
  620    HA   GLN  75           HA       GLN  78   2.366   7.212  12.603
  621   1HB   GLN  75          1HB       GLN  78   0.829   5.926  11.016
  622   2HB   GLN  75          2HB       GLN  78   1.616   7.385  10.443
  623   1HG   GLN  75          1HG       GLN  78   3.433   5.907   9.426
  624   2HG   GLN  75          2HG       GLN  78   2.443   4.522   9.881
  625   1HE2  GLN  75          1HE2      GLN  78   0.365   4.939   6.993
  626   2HE2  GLN  75          2HE2      GLN  78   0.852   3.915   8.328
   
  No H/Q in entry =         627
  Start of MODEL           4
 Raw file had 628 H/Q atoms
  Start of MODEL    4
    1   1H    SER  -2           2H       SER   1  -4.401  20.057   1.901
    2   2H    SER  -2           3H       SER   1  -5.991  20.534   1.875
    3   3H    SER  -2           1H       SER   1  -4.972  20.994   3.144
    4    HA   SER  -2           HA       SER   1  -6.305  19.318   3.975
    5   1HB   SER  -2          1HB       SER   1  -5.856  17.704   1.438
    6   2HB   SER  -2          2HB       SER   1  -7.197  17.599   2.608
    7    HG   SER  -2           HG       SER   1  -7.804  18.824   0.747
    8    H    ALA  -1           H        ALA   2  -5.583  16.618   4.135
    9    HA   ALA  -1           HA       ALA   2  -2.781  16.773   5.032
   10   1HB   ALA  -1          2HB       ALA   2  -4.832  14.521   5.119
   11   2HB   ALA  -1          3HB       ALA   2  -3.239  14.525   5.904
   12   3HB   ALA  -1          1HB       ALA   2  -4.483  15.676   6.426
   13    H    GLN   0           H        GLN   3  -2.376  17.287   2.578
   14    HA   GLN   0           HA       GLN   3  -2.074  14.762   1.009
   15   1HB   GLN   0          1HB       GLN   3  -2.084  15.958  -0.960
   16   2HB   GLN   0          2HB       GLN   3  -3.420  16.592  -0.004
   17   1HG   GLN   0          1HG       GLN   3  -0.723  17.951  -0.508
   18   2HG   GLN   0          2HG       GLN   3  -2.267  18.343  -1.253
   19   1HE2  GLN   0          1HE2      GLN   3  -1.437  19.694   2.529
   20   2HE2  GLN   0          2HE2      GLN   3  -0.387  18.521   1.736
   21    H    LYS   1           H        LYS   4  -0.118  14.026   0.352
   22    HA   LYS   1           HA       LYS   4   2.334  15.481   1.256
   23   1HB   LYS   1          1HB       LYS   4   1.919  12.503   0.789
   24   2HB   LYS   1          2HB       LYS   4   3.351  13.274   1.462
   25   1HG   LYS   1          1HG       LYS   4   0.579  13.062   2.729
   26   2HG   LYS   1          2HG       LYS   4   2.029  12.189   3.205
   27   1HD   LYS   1          1HD       LYS   4   1.572  15.198   3.487
   28   2HD   LYS   1          2HD       LYS   4   1.541  13.990   4.774
   29   1HE   LYS   1          1HE       LYS   4   3.954  13.447   4.286
   30   2HE   LYS   1          2HE       LYS   4   3.970  14.776   3.107
   31   1HZ   LYS   1          1HZ       LYS   4   3.405  16.272   4.875
   32   2HZ   LYS   1          2HZ       LYS   4   3.405  15.042   5.972
   33   3HZ   LYS   1          3HZ       LYS   4   4.802  15.469   5.212
   34    H    SER   2           H        SER   5   4.127  15.446  -0.261
   35    HA   SER   2           HA       SER   5   3.684  14.313  -2.913
   36   1HB   SER   2          1HB       SER   5   3.953  17.324  -2.585
   37   2HB   SER   2          2HB       SER   5   3.908  16.423  -4.111
   38    HG   SER   2           HG       SER   5   1.782  15.637  -2.849
   39    HA   PRO   3           HA       PRO   6   8.058  13.736  -2.118
   40   1HB   PRO   3          1HB       PRO   6   8.187  13.885  -5.148
   41   2HB   PRO   3          2HB       PRO   6   9.043  12.768  -4.047
   42   1HG   PRO   3          1HG       PRO   6   6.796  11.943  -5.316
   43   2HG   PRO   3          2HG       PRO   6   7.011  11.583  -3.576
   44   1HD   PRO   3          1HD       PRO   6   5.338  13.768  -4.835
   45   2HD   PRO   3          2HD       PRO   6   4.970  12.668  -3.468
   46    H    ALA   4           H        ALA   7   7.290  16.058  -4.782
   47    HA   ALA   4           HA       ALA   7   9.613  17.588  -4.569
   48   1HB   ALA   4          1HB       ALA   7   8.035  17.740  -6.471
   49   2HB   ALA   4          2HB       ALA   7   6.833  18.506  -5.407
   50   3HB   ALA   4          3HB       ALA   7   8.355  19.342  -5.778
   51    H    GLU   5           H        GLU   8   6.690  17.879  -2.862
   52    HA   GLU   5           HA       GLU   8   7.311  20.351  -1.493
   53   1HB   GLU   5          1HB       GLU   8   4.979  19.532  -1.744
   54   2HB   GLU   5          2HB       GLU   8   5.330  18.180  -0.649
   55   1HG   GLU   5          1HG       GLU   8   4.161  19.971   0.527
   56   2HG   GLU   5          2HG       GLU   8   5.783  19.767   1.187
   57    H    LEU   6           H        LEU   9   7.446  16.890  -0.524
   58    HA   LEU   6           HA       LEU   9   8.689  17.379   1.978
   59   1HB   LEU   6          1HB       LEU   9   8.796  14.947   0.162
   60   2HB   LEU   6          2HB       LEU   9   9.463  14.965   1.797
   61    HG   LEU   6           HG       LEU   9   6.524  15.484   1.135
   62   1HD1  LEU   6          1HD1      LEU   9   7.258  13.144   0.677
   63   2HD1  LEU   6          2HD1      LEU   9   7.869  13.043   2.348
   64   3HD1  LEU   6          3HD1      LEU   9   6.132  13.245   2.043
   65   1HD2  LEU   6          1HD2      LEU   9   8.050  15.202   3.769
   66   2HD2  LEU   6          2HD2      LEU   9   7.060  16.582   3.238
   67   3HD2  LEU   6          3HD2      LEU   9   6.294  15.047   3.642
   68    H    LYS   7           H        LYS  10  10.017  17.042  -1.124
   69    HA   LYS   7           HA       LYS  10  12.791  17.044  -0.367
   70   1HB   LYS   7          1HB       LYS  10  11.876  16.385  -2.642
   71   2HB   LYS   7          2HB       LYS  10  11.719  18.115  -3.001
   72   1HG   LYS   7          1HG       LYS  10  14.163  18.381  -2.482
   73   2HG   LYS   7          2HG       LYS  10  14.276  16.630  -2.225
   74   1HD   LYS   7          1HD       LYS  10  13.491  16.252  -4.564
   75   2HD   LYS   7          2HD       LYS  10  13.457  18.005  -4.829
   76   1HE   LYS   7          1HE       LYS  10  15.925  16.348  -4.098
   77   2HE   LYS   7          2HE       LYS  10  15.534  16.968  -5.712
   78   1HZ   LYS   7          1HZ       LYS  10  15.660  19.190  -4.814
   79   2HZ   LYS   7          2HZ       LYS  10  16.080  18.604  -3.335
   80   3HZ   LYS   7          3HZ       LYS  10  17.083  18.380  -4.622
   81    H    SER   8           H        SER  11  10.576  19.691  -1.413
   82    HA   SER   8           HA       SER  11  12.371  21.843  -1.107
   83   1HB   SER   8          1HB       SER  11   9.361  21.849  -0.578
   84   2HB   SER   8          2HB       SER  11  10.386  23.255  -0.896
   85    HG   SER   8           HG       SER  11   9.925  21.073  -2.672
   86    H    ILE   9           H        ILE  12  10.147  20.371   1.296
   87    HA   ILE   9           HA       ILE  12  10.850  22.062   3.481
   88    HB   ILE   9           HB       ILE  12   9.713  19.250   3.301
   89   1HG1  ILE   9          1HG1      ILE  12   8.402  21.859   4.180
   90   2HG1  ILE   9          2HG1      ILE  12   8.421  21.333   2.496
   91   1HG2  ILE   9          2HG2      ILE  12  10.261  20.943   5.770
   92   2HG2  ILE   9          3HG2      ILE  12   9.069  19.634   5.747
   93   3HG2  ILE   9          1HG2      ILE  12  10.754  19.261   5.435
   94   1HD1  ILE   9          1HD1      ILE  12   7.272  19.222   3.128
   95   2HD1  ILE   9          2HD1      ILE  12   7.108  19.825   4.791
   96   3HD1  ILE   9          3HD1      ILE  12   6.326  20.685   3.461
   97    H    PHE  10           H        PHE  13  12.053  18.792   2.626
   98    HA   PHE  10           HA       PHE  13  14.037  18.417   4.524
   99   1HB   PHE  10          1HB       PHE  13  13.364  16.716   2.987
  100   2HB   PHE  10          2HB       PHE  13  13.843  17.664   1.598
  101    HD1  PHE  10           HD1      PHE  13  16.277  18.120   1.092
  102    HD2  PHE  10           HD2      PHE  13  14.917  15.152   3.920
  103    HE1  PHE  10           HE1      PHE  13  18.410  16.943   0.881
  104    HE2  PHE  10           HE2      PHE  13  17.043  13.918   3.624
  105    HZ   PHE  10           HZ       PHE  13  18.759  14.763   2.067
  106    H    GLU  11           H        GLU  14  14.376  20.128   1.384
  107    HA   GLU  11           HA       GLU  14  17.089  20.779   1.508
  108   1HB   GLU  11          1HB       GLU  14  14.758  22.177   0.201
  109   2HB   GLU  11          2HB       GLU  14  16.415  22.781   0.086
  110   1HG   GLU  11          1HG       GLU  14  17.205  20.723  -0.910
  111   2HG   GLU  11          2HG       GLU  14  15.642  19.938  -0.692
  112    H    LYS  12           H        LYS  15  14.356  22.417   3.156
  113    HA   LYS  12           HA       LYS  15  15.640  24.796   3.803
  114   1HB   LYS  12          1HB       LYS  15  13.224  24.250   4.188
  115   2HB   LYS  12          2HB       LYS  15  13.698  23.245   5.565
  116   1HG   LYS  12          1HG       LYS  15  12.872  25.356   6.320
  117   2HG   LYS  12          2HG       LYS  15  14.573  25.193   6.762
  118   1HD   LYS  12          1HD       LYS  15  15.258  26.683   4.947
  119   2HD   LYS  12          2HD       LYS  15  13.607  26.740   4.304
  120   1HE   LYS  12          1HE       LYS  15  14.470  27.771   7.053
  121   2HE   LYS  12          2HE       LYS  15  14.265  28.772   5.607
  122   1HZ   LYS  12          1HZ       LYS  15  11.968  28.113   5.547
  123   2HZ   LYS  12          2HZ       LYS  15  12.149  27.222   6.923
  124   3HZ   LYS  12          3HZ       LYS  15  12.342  28.855   6.969
  125    OH   TYR  13           OH       TYR  16  11.252  20.569   8.832
  126    H    TYR  13           H        TYR  16  15.791  21.679   5.539
  127    HA   TYR  13           HA       TYR  16  17.644  22.811   7.551
  128   1HB   TYR  13          1HB       TYR  16  17.083  19.898   7.463
  129   2HB   TYR  13          2HB       TYR  16  17.365  20.961   8.827
  130    HD1  TYR  13           HD2      TYR  16  14.910  19.952   6.237
  131    HD2  TYR  13           HD1      TYR  16  15.504  21.224  10.274
  132    HE1  TYR  13           HE2      TYR  16  12.531  19.743   6.649
  133    HE2  TYR  13           HE1      TYR  16  13.066  21.308  10.623
  134    HH   TYR  13           HH       TYR  16  10.990  20.863   9.707
  135    H    ALA  14           H        ALA  17  17.637  20.351   4.920
  136    HA   ALA  14           HA       ALA  17  20.241  19.417   5.192
  137   1HB   ALA  14          2HB       ALA  17  18.568  19.823   2.671
  138   2HB   ALA  14          3HB       ALA  17  20.001  18.822   2.685
  139   3HB   ALA  14          1HB       ALA  17  18.628  18.362   3.671
  140    H    ALA  15           H        ALA  18  19.138  22.316   3.444
  141    HA   ALA  15           HA       ALA  18  21.557  23.098   2.276
  142   1HB   ALA  15          2HB       ALA  18  19.302  24.815   3.367
  143   2HB   ALA  15          3HB       ALA  18  20.579  25.361   2.260
  144   3HB   ALA  15          1HB       ALA  18  19.427  24.123   1.730
  145    H    LYS  16           H        LYS  19  20.593  23.297   5.708
  146    HA   LYS  16           HA       LYS  19  22.525  25.373   6.343
  147   1HB   LYS  16          1HB       LYS  19  21.122  23.522   8.296
  148   2HB   LYS  16          2HB       LYS  19  21.869  25.093   8.600
  149   1HG   LYS  16          1HG       LYS  19  20.132  26.070   6.967
  150   2HG   LYS  16          2HG       LYS  19  19.339  24.483   7.038
  151   1HD   LYS  16          1HD       LYS  19  19.378  24.752   9.614
  152   2HD   LYS  16          2HD       LYS  19  19.793  26.447   9.314
  153   1HE   LYS  16          1HE       LYS  19  17.249  24.944   8.568
  154   2HE   LYS  16          2HE       LYS  19  17.416  26.355   9.620
  155   1HZ   LYS  16          1HZ       LYS  19  18.117  27.574   7.609
  156   2HZ   LYS  16          2HZ       LYS  19  17.750  26.230   6.712
  157   3HZ   LYS  16          3HZ       LYS  19  16.566  27.013   7.540
  158    H    GLU  17           H        GLU  20  22.283  21.885   7.260
  159    HA   GLU  17           HA       GLU  20  25.250  21.712   7.155
  160   1HB   GLU  17          1HB       GLU  20  23.610  20.750   9.517
  161   2HB   GLU  17          2HB       GLU  20  25.337  20.503   9.244
  162   1HG   GLU  17          1HG       GLU  20  23.970  23.213   9.667
  163   2HG   GLU  17          2HG       GLU  20  24.855  22.305  10.892
  164    H    GLY  18           H        GLY  21  25.790  20.117   5.960
  165   1HA   GLY  18          1HA       GLY  21  25.741  17.608   5.754
  166   2HA   GLY  18          2HA       GLY  21  23.982  17.744   5.562
  167    H    ASP  19           H        ASP  22  24.094  20.217   4.111
  168    HA   ASP  19           HA       ASP  22  24.826  21.199   2.140
  169   1HB   ASP  19          1HB       ASP  22  25.186  18.390   0.971
  170   2HB   ASP  19          2HB       ASP  22  25.320  19.888   0.078
  171    HA   PRO  20           HA       PRO  23  20.590  21.305   1.198
  172   1HB   PRO  20          1HB       PRO  23  21.095  21.470  -1.738
  173   2HB   PRO  20          2HB       PRO  23  20.103  22.517  -0.662
  174   1HG   PRO  20          1HG       PRO  23  22.583  23.304  -1.522
  175   2HG   PRO  20          2HG       PRO  23  21.962  23.698   0.100
  176   1HD   PRO  20          1HD       PRO  23  23.939  21.583  -0.688
  177   2HD   PRO  20          2HD       PRO  23  23.879  22.609   0.775
  178    H    ASN  21           H        ASN  24  22.361  18.736  -0.419
  179    HA   ASN  21           HA       ASN  24  19.841  17.303  -0.988
  180   1HB   ASN  21          1HB       ASN  24  21.215  15.842  -2.342
  181   2HB   ASN  21          2HB       ASN  24  21.650  17.508  -2.744
  182   1HD2  ASN  21          1HD2      ASN  24  24.569  15.060  -1.521
  183   2HD2  ASN  21          2HD2      ASN  24  23.018  14.518  -2.136
  184    H    GLN  22           H        GLN  25  21.630  17.571   1.815
  185    HA   GLN  22           HA       GLN  25  20.838  14.831   2.560
  186   1HB   GLN  22          1HB       GLN  25  23.336  15.961   3.789
  187   2HB   GLN  22          2HB       GLN  25  22.868  14.298   3.603
  188   1HG   GLN  22          1HG       GLN  25  23.337  14.553   1.053
  189   2HG   GLN  22          2HG       GLN  25  24.131  16.083   1.457
  190   1HE2  GLN  22          1HE2      GLN  25  26.967  14.435   3.017
  191   2HE2  GLN  22          2HE2      GLN  25  26.042  15.937   2.987
  192    H    LEU  23           H        LEU  26  20.649  14.359   4.741
  193    HA   LEU  23           HA       LEU  26  20.740  16.804   6.329
  194   1HB   LEU  23          1HB       LEU  26  18.902  14.339   6.576
  195   2HB   LEU  23          2HB       LEU  26  18.983  15.560   7.847
  196    HG   LEU  23           HG       LEU  26  18.067  16.252   5.025
  197   1HD1  LEU  23          2HD1      LEU  26  16.427  15.455   7.467
  198   2HD1  LEU  23          3HD1      LEU  26  15.794  16.090   5.938
  199   3HD1  LEU  23          1HD1      LEU  26  16.592  14.505   5.982
  200   1HD2  LEU  23          2HD2      LEU  26  18.832  18.114   6.515
  201   2HD2  LEU  23          3HD2      LEU  26  17.111  18.166   6.076
  202   3HD2  LEU  23          1HD2      LEU  26  17.603  17.607   7.696
  203    H    SER  24           H        SER  27  21.983  16.971   7.939
  204    HA   SER  24           HA       SER  27  23.571  14.672   8.805
  205   1HB   SER  24          1HB       SER  27  23.487  17.510   9.950
  206   2HB   SER  24          2HB       SER  27  24.775  16.302  10.134
  207    HG   SER  24           HG       SER  27  23.978  17.701   7.797
  208    H    LYS  25           H        LYS  28  23.498  14.105  11.222
  209    HA   LYS  25           HA       LYS  28  21.019  13.424  12.121
  210   1HB   LYS  25          1HB       LYS  28  23.369  12.791  13.027
  211   2HB   LYS  25          2HB       LYS  28  23.199  14.184  14.089
  212   1HG   LYS  25          1HG       LYS  28  20.998  13.149  14.930
  213   2HG   LYS  25          2HG       LYS  28  21.300  11.800  13.835
  214   1HD   LYS  25          1HD       LYS  28  22.097  10.880  15.739
  215   2HD   LYS  25          2HD       LYS  28  23.596  11.580  15.134
  216   1HE   LYS  25          1HE       LYS  28  21.729  12.757  17.263
  217   2HE   LYS  25          2HE       LYS  28  23.294  11.985  17.550
  218   1HZ   LYS  25          1HZ       LYS  28  24.315  13.748  16.281
  219   2HZ   LYS  25          2HZ       LYS  28  22.852  14.486  16.089
  220   3HZ   LYS  25          3HZ       LYS  28  23.503  14.329  17.593
  221    H    GLU  26           H        GLU  29  22.676  16.471  13.057
  222    HA   GLU  26           HA       GLU  29  20.720  17.379  14.891
  223   1HB   GLU  26          1HB       GLU  29  22.536  19.001  13.046
  224   2HB   GLU  26          2HB       GLU  29  21.664  19.627  14.451
  225   1HG   GLU  26          1HG       GLU  29  22.911  18.110  15.947
  226   2HG   GLU  26          2HG       GLU  29  23.800  17.439  14.570
  227    H    GLU  27           H        GLU  30  20.992  17.960  11.367
  228    HA   GLU  27           HA       GLU  30  18.671  19.667  11.220
  229   1HB   GLU  27          1HB       GLU  30  20.123  18.089   9.046
  230   2HB   GLU  27          2HB       GLU  30  18.959  19.384   8.789
  231   1HG   GLU  27          1HG       GLU  30  21.698  19.627  10.071
  232   2HG   GLU  27          2HG       GLU  30  21.139  20.342   8.554
  233    H    LEU  28           H        LEU  31  19.203  16.193  10.612
  234    HA   LEU  28           HA       LEU  31  16.531  15.713   9.758
  235   1HB   LEU  28          1HB       LEU  31  17.225  13.605   9.473
  236   2HB   LEU  28          2HB       LEU  31  18.810  14.267   9.876
  237    HG   LEU  28           HG       LEU  31  18.460  13.529  12.257
  238   1HD1  LEU  28          2HD1      LEU  31  16.124  12.021  10.975
  239   2HD1  LEU  28          3HD1      LEU  31  16.931  11.497  12.465
  240   3HD1  LEU  28          1HD1      LEU  31  16.064  13.019  12.444
  241   1HD2  LEU  28          2HD2      LEU  31  19.822  12.421  10.468
  242   2HD2  LEU  28          3HD2      LEU  31  19.229  11.409  11.796
  243   3HD2  LEU  28          1HD2      LEU  31  18.441  11.340  10.188
  244    H    LYS  29           H        LYS  32  18.073  15.448  12.967
  245    HA   LYS  29           HA       LYS  32  15.876  14.628  14.474
  246   1HB   LYS  29          1HB       LYS  32  18.131  14.898  15.462
  247   2HB   LYS  29          2HB       LYS  32  18.072  16.628  15.184
  248   1HG   LYS  29          1HG       LYS  32  17.635  16.171  17.514
  249   2HG   LYS  29          2HG       LYS  32  16.247  16.936  16.743
  250   1HD   LYS  29          1HD       LYS  32  15.570  15.169  18.287
  251   2HD   LYS  29          2HD       LYS  32  15.065  14.737  16.659
  252   1HE   LYS  29          1HE       LYS  32  17.666  13.681  17.861
  253   2HE   LYS  29          2HE       LYS  32  16.108  12.938  18.236
  254   1HZ   LYS  29          1HZ       LYS  32  15.751  12.538  15.931
  255   2HZ   LYS  29          2HZ       LYS  32  17.206  13.198  15.537
  256   3HZ   LYS  29          3HZ       LYS  32  17.145  11.829  16.442
  257    H    GLN  30           H        GLN  33  16.841  18.020  13.728
  258    HA   GLN  30           HA       GLN  33  14.656  19.217  14.962
  259   1HB   GLN  30          1HB       GLN  33  16.316  20.044  12.543
  260   2HB   GLN  30          2HB       GLN  33  15.040  21.093  13.175
  261   1HG   GLN  30          1HG       GLN  33  16.108  21.377  15.270
  262   2HG   GLN  30          2HG       GLN  33  17.228  20.037  14.994
  263   1HE2  GLN  30          1HE2      GLN  33  19.494  21.823  12.903
  264   2HE2  GLN  30          2HE2      GLN  33  18.849  20.249  13.368
  265    H    LEU  31           H        LEU  34  14.987  18.225  11.495
  266    HA   LEU  31           HA       LEU  34  12.423  18.797  10.600
  267   1HB   LEU  31          1HB       LEU  34  14.320  17.983   9.225
  268   2HB   LEU  31          2HB       LEU  34  14.074  16.355   9.830
  269    HG   LEU  31           HG       LEU  34  11.916  17.863   8.319
  270   1HD1  LEU  31          1HD1      LEU  34  14.043  17.576   6.969
  271   2HD1  LEU  31          2HD1      LEU  34  13.897  15.828   7.237
  272   3HD1  LEU  31          3HD1      LEU  34  12.652  16.698   6.317
  273   1HD2  LEU  31          1HD2      LEU  34  12.353  14.918   8.998
  274   2HD2  LEU  31          2HD2      LEU  34  10.943  15.916   9.429
  275   3HD2  LEU  31          3HD2      LEU  34  11.217  15.466   7.758
  276    H    ILE  32           H        ILE  35  13.395  15.847  12.007
  277    HA   ILE  32           HA       ILE  35  10.886  14.531  12.052
  278    HB   ILE  32           HB       ILE  35  13.177  14.197  14.023
  279   1HG1  ILE  32          1HG1      ILE  35  13.944  13.597  11.824
  280   2HG1  ILE  32          2HG1      ILE  35  13.705  12.139  12.768
  281   1HG2  ILE  32          2HG2      ILE  35  10.666  12.547  13.634
  282   2HG2  ILE  32          3HG2      ILE  35  12.128  11.924  14.428
  283   3HG2  ILE  32          1HG2      ILE  35  11.272  13.304  15.118
  284   1HD1  ILE  32          1HD1      ILE  35  11.522  11.827  11.510
  285   2HD1  ILE  32          2HD1      ILE  35  11.963  13.245  10.535
  286   3HD1  ILE  32          3HD1      ILE  35  12.989  11.810  10.514
  287    H    GLN  33           H        GLN  36  12.342  16.310  14.572
  288    HA   GLN  33           HA       GLN  36  10.207  16.226  16.464
  289   1HB   GLN  33          1HB       GLN  36  12.398  18.291  16.040
  290   2HB   GLN  33          2HB       GLN  36  11.253  18.361  17.390
  291   1HG   GLN  33          1HG       GLN  36  11.943  16.173  18.191
  292   2HG   GLN  33          2HG       GLN  36  13.060  15.977  16.836
  293   1HE2  GLN  33          1HE2      GLN  36  14.641  17.496  20.058
  294   2HE2  GLN  33          2HE2      GLN  36  13.372  16.290  19.950
  295    H    ALA  34           H        ALA  37  10.888  18.605  13.886
  296    HA   ALA  34           HA       ALA  37   8.723  20.357  14.575
  297   1HB   ALA  34          1HB       ALA  37  10.694  21.088  13.311
  298   2HB   ALA  34          2HB       ALA  37  10.250  20.022  11.960
  299   3HB   ALA  34          3HB       ALA  37   9.203  21.391  12.394
  300    H    GLU  35           H        GLU  38   9.033  17.796  12.053
  301    HA   GLU  35           HA       GLU  38   6.274  18.306  11.179
  302   1HB   GLU  35          1HB       GLU  38   8.331  16.318  10.177
  303   2HB   GLU  35          2HB       GLU  38   6.738  16.661   9.478
  304   1HG   GLU  35          1HG       GLU  38   7.470  19.077   9.197
  305   2HG   GLU  35          2HG       GLU  38   9.112  18.549   9.609
  306    H    PHE  36           H        PHE  39   7.975  15.440  12.681
  307    HA   PHE  36           HA       PHE  39   5.387  14.436  13.599
  308   1HB   PHE  36          1HB       PHE  39   5.754  12.266  12.124
  309   2HB   PHE  36          2HB       PHE  39   4.820  13.652  11.625
  310    HD1  PHE  36           HD2      PHE  39   8.542  12.903  11.512
  311    HD2  PHE  36           HD1      PHE  39   4.990  14.069   9.355
  312    HE1  PHE  36           HE2      PHE  39   9.914  13.461   9.532
  313    HE2  PHE  36           HE1      PHE  39   6.378  14.622   7.384
  314    HZ   PHE  36           HZ       PHE  39   8.849  14.426   7.508
  315    HA   PRO  37           HA       PRO  40   8.999  12.818  15.942
  316   1HB   PRO  37          1HB       PRO  40   8.013  13.348  18.493
  317   2HB   PRO  37          2HB       PRO  40   9.020  14.480  17.549
  318   1HG   PRO  37          1HG       PRO  40   5.998  14.412  17.743
  319   2HG   PRO  37          2HG       PRO  40   7.076  15.833  17.888
  320   1HD   PRO  37          1HD       PRO  40   5.816  15.300  15.568
  321   2HD   PRO  37          2HD       PRO  40   7.523  15.821  15.541
  322    H    SER  38           H        SER  41   5.633  12.572  16.036
  323    HA   SER  38           HA       SER  41   5.221  10.108  17.443
  324   1HB   SER  38          1HB       SER  41   2.914  10.505  16.215
  325   2HB   SER  38          2HB       SER  41   3.459  11.634  17.467
  326    HG   SER  38           HG       SER  41   2.787  12.719  15.535
  327    H    LEU  39           H        LEU  42   6.965  10.319  14.671
  328    HA   LEU  39           HA       LEU  42   5.611   8.558  12.901
  329   1HB   LEU  39          1HB       LEU  42   7.707   8.309  11.762
  330   2HB   LEU  39          2HB       LEU  42   7.437   9.980  12.237
  331    HG   LEU  39           HG       LEU  42   8.984   9.430  14.294
  332   1HD1  LEU  39          2HD1      LEU  42   9.789   7.202  12.349
  333   2HD1  LEU  39          3HD1      LEU  42  10.768   7.765  13.714
  334   3HD1  LEU  39          1HD1      LEU  42   9.236   6.963  14.014
  335   1HD2  LEU  39          2HD2      LEU  42   9.531  10.928  12.418
  336   2HD2  LEU  39          3HD2      LEU  42  10.949   9.994  12.932
  337   3HD2  LEU  39          1HD2      LEU  42  10.072   9.544  11.452
  338    H    LEU  40           H        LEU  43   6.964   7.868  15.956
  339    HA   LEU  40           HA       LEU  43   7.858   5.166  15.547
  340   1HB   LEU  40          1HB       LEU  43   6.918   6.575  18.073
  341   2HB   LEU  40          2HB       LEU  43   7.921   5.120  18.006
  342    HG   LEU  40           HG       LEU  43   8.802   7.856  16.949
  343   1HD1  LEU  40          2HD1      LEU  43   9.402   6.480  19.597
  344   2HD1  LEU  40          3HD1      LEU  43  10.155   7.976  19.005
  345   3HD1  LEU  40          1HD1      LEU  43   8.421   7.944  19.369
  346   1HD2  LEU  40          2HD2      LEU  43   9.991   5.866  15.953
  347   2HD2  LEU  40          3HD2      LEU  43  11.026   6.885  16.961
  348   3HD2  LEU  40          1HD2      LEU  43  10.409   5.349  17.599
  349    H    LYS  41           H        LYS  44   5.481   5.111  14.235
  350    HA   LYS  41           HA       LYS  44   3.283   4.205  15.945
  351   1HB   LYS  41          1HB       LYS  44   3.645   4.254  12.921
  352   2HB   LYS  41          2HB       LYS  44   2.140   3.878  13.784
  353   1HG   LYS  41          1HG       LYS  44   2.166   6.131  14.826
  354   2HG   LYS  41          2HG       LYS  44   3.668   6.515  13.969
  355   1HD   LYS  41          1HD       LYS  44   2.542   6.265  11.792
  356   2HD   LYS  41          2HD       LYS  44   1.044   5.778  12.602
  357   1HE   LYS  41          1HE       LYS  44   0.929   8.137  11.934
  358   2HE   LYS  41          2HE       LYS  44   0.879   7.990  13.698
  359   1HZ   LYS  41          2HZ       LYS  44   3.267   8.652  12.117
  360   2HZ   LYS  41          3HZ       LYS  44   2.341   9.730  12.951
  361   3HZ   LYS  41          1HZ       LYS  44   3.189   8.577  13.765
  362    H    GLY  42           H        GLY  45   5.027   2.684  16.858
  363   1HA   GLY  42          1HA       GLY  45   4.848   0.297  17.252
  364   2HA   GLY  42          2HA       GLY  45   4.854  -0.021  15.522
  365    HA   PRO  43           HA       PRO  46   9.277  -0.283  15.449
  366   1HB   PRO  43          1HB       PRO  46   9.439   2.027  13.500
  367   2HB   PRO  43          2HB       PRO  46  10.202   0.415  13.398
  368   1HG   PRO  43          1HG       PRO  46   7.977   0.965  11.951
  369   2HG   PRO  43          2HG       PRO  46   8.090  -0.593  12.828
  370   1HD   PRO  43          1HD       PRO  46   6.683   1.945  13.715
  371   2HD   PRO  43          2HD       PRO  46   6.064   0.267  13.677
  372    NH1  ARG  44           NH2      ARG  47   7.619   0.791  22.106
  373    NH2  ARG  44           NH1      ARG  47   6.839  -0.068  20.099
  374    H    ARG  44           H        ARG  47  10.164   0.366  17.393
  375    HA   ARG  44           HA       ARG  47  10.060   3.115  18.279
  376   1HB   ARG  44          1HB       ARG  47  10.123   0.670  19.548
  377   2HB   ARG  44          2HB       ARG  47  11.780   1.155  19.752
  378   1HG   ARG  44          1HG       ARG  47  10.452   1.842  21.648
  379   2HG   ARG  44          2HG       ARG  47  11.035   3.287  20.814
  380   1HD   ARG  44          1HD       ARG  47   8.565   3.286  21.618
  381   2HD   ARG  44          2HD       ARG  47   8.861   3.805  19.977
  382    HE   ARG  44           HE       ARG  47   7.866   1.921  19.096
  383   1HH1  ARG  44          1HH2      ARG  47   8.134   1.503  22.602
  384   2HH1  ARG  44          2HH2      ARG  47   7.226   0.015  22.616
  385   1HH2  ARG  44          1HH1      ARG  47   6.846  -0.009  19.082
  386   2HH2  ARG  44          2HH1      ARG  47   6.419  -0.860  20.557
  387    H    THR  45           H        THR  48  11.284   3.436  15.964
  388    HA   THR  45           HA       THR  48  14.211   3.783  16.536
  389    HB   THR  45           HB       THR  48  12.693   2.957  14.057
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  15.376   4.362  14.324
  391   2HG2  THR  45          3HG2      THR  48  15.029   3.158  13.026
  392   3HG2  THR  45          1HG2      THR  48  14.069   4.633  13.194
  393    H    LEU  46           H        LEU  49  14.207   5.905  17.220
  394    HA   LEU  46           HA       LEU  49  12.949   7.941  15.444
  395   1HB   LEU  46          1HB       LEU  49  12.898   8.074  18.034
  396   2HB   LEU  46          2HB       LEU  49  14.622   8.431  17.915
  397    HG   LEU  46           HG       LEU  49  13.943  10.375  16.313
  398   1HD1  LEU  46          2HD1      LEU  49  11.214   9.721  17.537
  399   2HD1  LEU  46          3HD1      LEU  49  11.613  11.223  16.694
  400   3HD1  LEU  46          1HD1      LEU  49  11.615   9.694  15.807
  401   1HD2  LEU  46          2HD2      LEU  49  14.691  10.706  18.633
  402   2HD2  LEU  46          3HD2      LEU  49  13.409  11.849  18.202
  403   3HD2  LEU  46          1HD2      LEU  49  13.034  10.438  19.216
  404    H    ASP  47           H        ASP  50  15.974   6.296  16.139
  405    HA   ASP  47           HA       ASP  50  17.294   7.887  14.059
  406   1HB   ASP  47          1HB       ASP  50  17.606   8.878  16.476
  407   2HB   ASP  47          2HB       ASP  50  18.511   7.401  16.837
  408    H    ASP  48           H        ASP  51  17.041   4.761  15.505
  409    HA   ASP  48           HA       ASP  51  19.529   3.672  14.703
  410   1HB   ASP  48          1HB       ASP  51  17.932   2.348  15.958
  411   2HB   ASP  48          2HB       ASP  51  16.718   2.464  14.688
  412    H    LEU  49           H        LEU  52  16.613   4.310  12.714
  413    HA   LEU  49           HA       LEU  52  17.754   3.241  10.329
  414   1HB   LEU  49          1HB       LEU  52  15.928   4.196   9.113
  415   2HB   LEU  49          2HB       LEU  52  15.408   3.367  10.570
  416    HG   LEU  49           HG       LEU  52  15.323   5.780  11.634
  417   1HD1  LEU  49          2HD1      LEU  52  15.057   6.448   8.664
  418   2HD1  LEU  49          3HD1      LEU  52  14.672   7.526  10.018
  419   3HD1  LEU  49          1HD1      LEU  52  16.340   7.054   9.722
  420   1HD2  LEU  49          2HD2      LEU  52  13.367   4.248  11.097
  421   2HD2  LEU  49          3HD2      LEU  52  12.997   5.968  10.908
  422   3HD2  LEU  49          1HD2      LEU  52  13.319   4.957   9.480
  423    H    PHE  50           H        PHE  53  18.025   6.403  11.886
  424    HA   PHE  50           HA       PHE  53  18.958   7.917   9.670
  425   1HB   PHE  50          1HB       PHE  53  18.718   9.315  11.461
  426   2HB   PHE  50          2HB       PHE  53  19.062   8.143  12.618
  427    HD1  PHE  50           HD2      PHE  53  20.876  10.395  10.284
  428    HD2  PHE  50           HD1      PHE  53  21.232   7.654  13.571
  429    HE1  PHE  50           HE2      PHE  53  23.024  11.424  10.903
  430    HE2  PHE  50           HE1      PHE  53  23.479   8.529  14.063
  431    HZ   PHE  50           HZ       PHE  53  24.389  10.434  12.761
  432    H    GLN  51           H        GLN  54  20.674   5.889  12.033
  433    HA   GLN  51           HA       GLN  54  23.239   6.244  10.890
  434   1HB   GLN  51          1HB       GLN  54  22.817   5.391  13.192
  435   2HB   GLN  51          2HB       GLN  54  22.086   3.922  12.541
  436   1HG   GLN  51          1HG       GLN  54  24.291   3.307  11.514
  437   2HG   GLN  51          2HG       GLN  54  24.985   4.809  12.145
  438   1HE2  GLN  51          1HE2      GLN  54  23.964   1.839  14.856
  439   2HE2  GLN  51          2HE2      GLN  54  22.992   2.038  13.407
  440    H    GLU  52           H        GLU  55  20.808   3.643  10.460
  441    HA   GLU  52           HA       GLU  55  22.209   2.091   8.587
  442   1HB   GLU  52          1HB       GLU  55  20.080   1.518   9.732
  443   2HB   GLU  52          2HB       GLU  55  19.208   2.623   8.664
  444   1HG   GLU  52          1HG       GLU  55  20.885   0.309   7.595
  445   2HG   GLU  52          2HG       GLU  55  19.213   0.092   8.126
  446    H    LEU  53           H        LEU  56  20.307   5.059   8.074
  447    HA   LEU  53           HA       LEU  56  20.731   5.041   5.163
  448   1HB   LEU  53          1HB       LEU  56  19.335   6.992   6.986
  449   2HB   LEU  53          2HB       LEU  56  19.354   7.046   5.219
  450    HG   LEU  53           HG       LEU  56  18.156   4.758   6.828
  451   1HD1  LEU  53          1HD1      LEU  56  16.926   6.897   7.072
  452   2HD1  LEU  53          2HD1      LEU  56  16.812   7.026   5.306
  453   3HD1  LEU  53          3HD1      LEU  56  16.001   5.693   6.157
  454   1HD2  LEU  53          1HD2      LEU  56  18.013   5.309   3.845
  455   2HD2  LEU  53          2HD2      LEU  56  18.925   3.991   4.610
  456   3HD2  LEU  53          3HD2      LEU  56  17.176   4.030   4.742
  457    H    ASP  54           H        ASP  57  23.019   5.641   7.390
  458    HA   ASP  54           HA       ASP  57  24.055   8.212   6.439
  459   1HB   ASP  54          1HB       ASP  57  24.892   7.307   8.536
  460   2HB   ASP  54          2HB       ASP  57  25.359   5.791   7.747
  461    H    LYS  55           H        LYS  58  24.253   8.422   4.286
  462    HA   LYS  55           HA       LYS  58  24.690   6.549   2.349
  463   1HB   LYS  55          1HB       LYS  58  24.215   8.974   2.116
  464   2HB   LYS  55          2HB       LYS  58  25.910   9.340   2.439
  465   1HG   LYS  55          1HG       LYS  58  25.665   9.471   0.115
  466   2HG   LYS  55          2HG       LYS  58  26.463   7.904   0.354
  467   1HD   LYS  55          1HD       LYS  58  24.233   6.772   0.149
  468   2HD   LYS  55          2HD       LYS  58  23.468   8.351  -0.089
  469   1HE   LYS  55          1HE       LYS  58  25.576   7.106  -1.910
  470   2HE   LYS  55          2HE       LYS  58  23.831   7.123  -2.209
  471   1HZ   LYS  55          1HZ       LYS  58  23.904   9.507  -2.276
  472   2HZ   LYS  55          2HZ       LYS  58  25.527   9.507  -1.984
  473   3HZ   LYS  55          3HZ       LYS  58  24.943   8.864  -3.380
  474    H    ASN  56           H        ASN  59  27.345   8.215   4.174
  475    HA   ASN  56           HA       ASN  59  29.000   5.877   3.938
  476   1HB   ASN  56          1HB       ASN  59  30.776   6.649   2.547
  477   2HB   ASN  56          2HB       ASN  59  29.296   6.709   1.600
  478   1HD2  ASN  56          1HD2      ASN  59  29.240  10.347   1.538
  479   2HD2  ASN  56          2HD2      ASN  59  28.158   8.968   1.633
  480    H    GLY  57           H        GLY  60  29.170   9.453   4.519
  481   1HA   GLY  57          1HA       GLY  60  31.586   9.513   5.846
  482   2HA   GLY  57          2HA       GLY  60  30.261  10.641   6.103
  483    H    ASP  58           H        ASP  61  28.485   9.756   7.633
  484    HA   ASP  58           HA       ASP  61  29.284   7.928   9.734
  485   1HB   ASP  58          1HB       ASP  61  30.776   9.716  10.425
  486   2HB   ASP  58          2HB       ASP  61  29.501  10.931  10.246
  487    H    GLY  59           H        GLY  62  27.401  10.911   9.149
  488   1HA   GLY  59          1HA       GLY  62  24.853   9.476   9.749
  489   2HA   GLY  59          2HA       GLY  62  25.326  10.922  10.676
  490    H    GLU  60           H        GLU  63  25.679  10.058   7.234
  491    HA   GLU  60           HA       GLU  63  24.562  12.696   6.405
  492   1HB   GLU  60          1HB       GLU  63  26.083  10.443   5.009
  493   2HB   GLU  60          2HB       GLU  63  25.504  11.903   4.189
  494   1HG   GLU  60          1HG       GLU  63  26.890  13.302   5.766
  495   2HG   GLU  60          2HG       GLU  63  27.626  11.803   6.369
  496    H    VAL  61           H        VAL  64  22.235  12.254   6.581
  497    HA   VAL  61           HA       VAL  64  21.268   9.928   4.957
  498    HB   VAL  61           HB       VAL  64  19.728  11.847   6.735
  499   1HG1  VAL  61          2HG1      VAL  64  19.030   9.159   5.498
  500   2HG1  VAL  61          3HG1      VAL  64  18.020  10.036   6.655
  501   3HG1  VAL  61          1HG1      VAL  64  18.317  10.720   5.039
  502   1HG2  VAL  61          1HG2      VAL  64  20.846   9.057   7.274
  503   2HG2  VAL  61          2HG2      VAL  64  21.335  10.559   8.079
  504   3HG2  VAL  61          3HG2      VAL  64  19.701   9.918   8.322
  505    H    SER  62           H        SER  65  22.151  10.672   3.077
  506    HA   SER  62           HA       SER  65  21.544  13.049   1.720
  507   1HB   SER  62          1HB       SER  65  21.785  10.301   0.536
  508   2HB   SER  62          2HB       SER  65  22.285  11.847  -0.203
  509    HG   SER  62           HG       SER  65  23.916  11.941   1.447
  510    H    PHE  63           H        PHE  66  19.795  13.494   0.162
  511    HA   PHE  63           HA       PHE  66  17.232  12.755   0.885
  512   1HB   PHE  63          1HB       PHE  66  17.832  14.620  -0.652
  513   2HB   PHE  63          2HB       PHE  66  18.089  13.450  -1.943
  514    HD1  PHE  63           HD2      PHE  66  15.538  14.703   0.515
  515    HD2  PHE  63           HD1      PHE  66  16.189  12.649  -3.224
  516    HE1  PHE  63           HE2      PHE  66  13.096  14.653   0.114
  517    HE2  PHE  63           HE1      PHE  66  13.748  12.638  -3.634
  518    HZ   PHE  63           HZ       PHE  66  12.195  13.651  -1.975
  519    H    GLU  64           H        GLU  67  19.289  11.250  -1.552
  520    HA   GLU  64           HA       GLU  67  17.685   9.306  -2.663
  521   1HB   GLU  64          1HB       GLU  67  20.559   8.745  -1.804
  522   2HB   GLU  64          2HB       GLU  67  19.646   8.046  -3.136
  523   1HG   GLU  64          1HG       GLU  67  20.960   9.546  -4.278
  524   2HG   GLU  64          2HG       GLU  67  19.529  10.548  -4.022
  525    H    GLU  65           H        GLU  68  19.381   9.156   0.486
  526    HA   GLU  65           HA       GLU  68  18.439   6.450   1.069
  527   1HB   GLU  65          1HB       GLU  68  19.855   8.415   2.940
  528   2HB   GLU  65          2HB       GLU  68  19.728   6.656   3.070
  529   1HG   GLU  65          1HG       GLU  68  21.323   8.218   1.034
  530   2HG   GLU  65          2HG       GLU  68  21.932   7.191   2.327
  531    H    PHE  66           H        PHE  69  17.778   9.780   2.101
  532    HA   PHE  66           HA       PHE  69  15.939   9.446   4.131
  533   1HB   PHE  66          1HB       PHE  69  16.878  11.600   3.209
  534   2HB   PHE  66          2HB       PHE  69  15.704  11.479   1.897
  535    HD1  PHE  66           HD1      PHE  69  15.853  11.558   5.660
  536    HD2  PHE  66           HD2      PHE  69  13.676  12.610   2.086
  537    HE1  PHE  66           HE1      PHE  69  14.238  12.861   7.018
  538    HE2  PHE  66           HE2      PHE  69  12.028  13.849   3.460
  539    HZ   PHE  66           HZ       PHE  69  12.297  13.967   5.927
  540    H    GLN  67           H        GLN  70  15.379   9.078   0.638
  541    HA   GLN  67           HA       GLN  70  12.654   8.903   0.382
  542   1HB   GLN  67          1HB       GLN  70  14.745   7.031  -0.764
  543   2HB   GLN  67          2HB       GLN  70  13.053   7.052  -1.276
  544   1HG   GLN  67          1HG       GLN  70  13.221   9.406  -1.957
  545   2HG   GLN  67          2HG       GLN  70  14.923   9.444  -1.496
  546   1HE2  GLN  67          1HE2      GLN  70  15.887   7.159  -4.207
  547   2HE2  GLN  67          2HE2      GLN  70  16.150   7.310  -2.472
  548    H    VAL  68           H        VAL  71  14.771   6.403   1.864
  549    HA   VAL  68           HA       VAL  71  12.818   4.357   2.115
  550    HB   VAL  68           HB       VAL  71  15.247   4.981   3.835
  551   1HG1  VAL  68          2HG1      VAL  71  13.594   2.428   3.596
  552   2HG1  VAL  68          3HG1      VAL  71  15.165   2.544   4.410
  553   3HG1  VAL  68          1HG1      VAL  71  13.782   3.433   5.050
  554   1HG2  VAL  68          1HG2      VAL  71  14.882   3.096   1.456
  555   2HG2  VAL  68          2HG2      VAL  71  15.823   4.600   1.442
  556   3HG2  VAL  68          3HG2      VAL  71  16.352   3.243   2.438
  557    H    LEU  69           H        LEU  72  13.584   7.167   4.196
  558    HA   LEU  69           HA       LEU  72  11.706   6.355   6.257
  559   1HB   LEU  69          1HB       LEU  72  13.662   7.731   6.816
  560   2HB   LEU  69          2HB       LEU  72  13.094   9.018   5.744
  561    HG   LEU  69           HG       LEU  72  11.082   9.341   7.147
  562   1HD1  LEU  69          2HD1      LEU  72  12.324   7.189   8.907
  563   2HD1  LEU  69          3HD1      LEU  72  11.023   8.279   9.425
  564   3HD1  LEU  69          1HD1      LEU  72  10.730   7.127   8.122
  565   1HD2  LEU  69          2HD2      LEU  72  13.120  10.643   7.567
  566   2HD2  LEU  69          3HD2      LEU  72  12.189  10.346   9.044
  567   3HD2  LEU  69          1HD2      LEU  72  13.675   9.418   8.730
  568    H    VAL  70           H        VAL  73  11.790   8.709   3.558
  569    HA   VAL  70           HA       VAL  73   9.319   9.978   3.803
  570    HB   VAL  70           HB       VAL  73  10.689   9.044   1.271
  571   1HG1  VAL  70          2HG1      VAL  73   8.370  10.954   1.607
  572   2HG1  VAL  70          3HG1      VAL  73   9.356  10.819   0.138
  573   3HG1  VAL  70          1HG1      VAL  73   8.386   9.445   0.673
  574   1HG2  VAL  70          2HG2      VAL  73  11.952  10.672   2.720
  575   2HG2  VAL  70          3HG2      VAL  73  11.488  11.363   1.159
  576   3HG2  VAL  70          1HG2      VAL  73  10.572  11.777   2.624
  577    H    LYS  71           H        LYS  74   9.959   6.805   2.266
  578    HA   LYS  71           HA       LYS  74   7.394   6.177   1.428
  579   1HB   LYS  71          1HB       LYS  74   9.467   4.865   0.988
  580   2HB   LYS  71          2HB       LYS  74   9.475   4.333   2.665
  581   1HG   LYS  71          1HG       LYS  74   8.617   2.585   1.185
  582   2HG   LYS  71          2HG       LYS  74   7.409   3.079   2.362
  583   1HD   LYS  71          1HD       LYS  74   6.428   2.719   0.135
  584   2HD   LYS  71          2HD       LYS  74   6.181   4.365   0.700
  585   1HE   LYS  71          1HE       LYS  74   6.782   4.284  -1.698
  586   2HE   LYS  71          2HE       LYS  74   7.991   5.183  -0.778
  587   1HZ   LYS  71          2HZ       LYS  74   8.226   2.378  -1.626
  588   2HZ   LYS  71          3HZ       LYS  74   8.979   3.665  -2.327
  589   3HZ   LYS  71          1HZ       LYS  74   9.362   3.227  -0.787
  590    H    LYS  72           H        LYS  75   8.661   6.061   4.751
  591    HA   LYS  72           HA       LYS  75   6.276   4.712   5.806
  592   1HB   LYS  72          1HB       LYS  75   8.515   5.989   7.401
  593   2HB   LYS  72          2HB       LYS  75   7.405   4.710   7.886
  594   1HG   LYS  72          1HG       LYS  75   9.669   4.522   5.856
  595   2HG   LYS  72          2HG       LYS  75   9.650   3.847   7.479
  596   1HD   LYS  72          1HD       LYS  75   7.788   2.338   6.873
  597   2HD   LYS  72          2HD       LYS  75   7.772   2.979   5.222
  598   1HE   LYS  72          1HE       LYS  75  10.177   1.614   6.522
  599   2HE   LYS  72          2HE       LYS  75   9.022   0.819   5.442
  600   1HZ   LYS  72          2HZ       LYS  75  10.707   3.116   4.694
  601   2HZ   LYS  72          3HZ       LYS  75  10.967   1.542   4.283
  602   3HZ   LYS  72          1HZ       LYS  75   9.636   2.331   3.722
  603    H    ILE  73           H        ILE  76   7.875   7.930   6.160
  604    HA   ILE  73           HA       ILE  76   5.772   8.976   7.803
  605    HB   ILE  73           HB       ILE  76   6.716  11.240   7.180
  606   1HG1  ILE  73          1HG1      ILE  76   8.960   9.786   5.914
  607   2HG1  ILE  73          2HG1      ILE  76   7.594  10.475   4.984
  608   1HG2  ILE  73          1HG2      ILE  76   7.375   9.968   9.215
  609   2HG2  ILE  73          2HG2      ILE  76   8.616   9.111   8.278
  610   3HG2  ILE  73          3HG2      ILE  76   8.755  10.855   8.565
  611   1HD1  ILE  73          1HD1      ILE  76   8.105  12.701   5.878
  612   2HD1  ILE  73          2HD1      ILE  76   9.492  12.033   6.783
  613   3HD1  ILE  73          3HD1      ILE  76   9.493  12.021   5.017
  614    H    SER  74           H        SER  77   5.954   8.703   4.299
  615    HA   SER  74           HA       SER  77   3.822  10.631   3.826
  616   1HB   SER  74          1HB       SER  77   4.928   8.462   2.001
  617   2HB   SER  74          2HB       SER  77   3.918   9.842   1.528
  618    HG   SER  74           HG       SER  77   6.536   9.875   2.607
  619    H    GLN  75           H        GLN  78   2.673   9.362   5.726
  620    HA   GLN  75           HA       GLN  78   0.849   8.202   6.404
  621   1HB   GLN  75          1HB       GLN  78  -0.050   8.694   3.535
  622   2HB   GLN  75          2HB       GLN  78  -1.100   8.310   4.910
  623   1HG   GLN  75          1HG       GLN  78  -0.420  10.378   6.051
  624   2HG   GLN  75          2HG       GLN  78   0.721  10.761   4.748
  625   1HE2  GLN  75          1HE2      GLN  78  -2.163  12.853   3.983
  626   2HE2  GLN  75          2HE2      GLN  78  -0.879  12.770   5.182
   
  No H/Q in entry =         627
  Start of MODEL           5
 Raw file had 628 H/Q atoms
  Start of MODEL    5
    1   1H    SER  -2           2H       SER   1  -6.481  14.729   1.474
    2   2H    SER  -2           3H       SER   1  -7.930  13.909   1.722
    3   3H    SER  -2           1H       SER   1  -7.912  15.574   1.469
    4    HA   SER  -2           HA       SER   1  -8.088  15.481   3.708
    5   1HB   SER  -2          1HB       SER   1  -6.346  13.000   3.863
    6   2HB   SER  -2          2HB       SER   1  -7.699  13.492   4.909
    7    HG   SER  -2           HG       SER   1  -8.357  11.861   3.414
    8    H    ALA  -1           H        ALA   2  -6.382  15.920   5.546
    9    HA   ALA  -1           HA       ALA   2  -4.208  17.428   4.482
   10   1HB   ALA  -1          1HB       ALA   2  -5.274  17.935   6.649
   11   2HB   ALA  -1          2HB       ALA   2  -4.687  16.391   7.311
   12   3HB   ALA  -1          3HB       ALA   2  -3.533  17.658   6.846
   13    H    GLN   0           H        GLN   3  -1.981  16.951   4.366
   14    HA   GLN   0           HA       GLN   3  -0.697  14.630   5.345
   15   1HB   GLN   0          1HB       GLN   3  -0.261  13.563   3.084
   16   2HB   GLN   0          2HB       GLN   3  -1.897  13.372   3.683
   17   1HG   GLN   0          1HG       GLN   3  -2.271  13.813   1.485
   18   2HG   GLN   0          2HG       GLN   3  -2.515  15.413   2.154
   19   1HE2  GLN   0          1HE2      GLN   3   0.400  16.775   0.452
   20   2HE2  GLN   0          2HE2      GLN   3  -0.553  16.983   1.909
   21    H    LYS   1           H        LYS   4   1.580  14.591   4.301
   22    HA   LYS   1           HA       LYS   4   2.403  17.365   3.587
   23   1HB   LYS   1          1HB       LYS   4   4.117  14.972   4.312
   24   2HB   LYS   1          2HB       LYS   4   4.628  16.646   4.029
   25   1HG   LYS   1          1HG       LYS   4   2.824  15.719   6.325
   26   2HG   LYS   1          2HG       LYS   4   4.573  15.960   6.421
   27   1HD   LYS   1          1HD       LYS   4   4.291  18.366   5.840
   28   2HD   LYS   1          2HD       LYS   4   2.537  18.139   5.772
   29   1HE   LYS   1          1HE       LYS   4   3.179  19.101   7.925
   30   2HE   LYS   1          2HE       LYS   4   2.503  17.481   8.163
   31   1HZ   LYS   1          2HZ       LYS   4   5.366  18.147   8.098
   32   2HZ   LYS   1          3HZ       LYS   4   4.491  17.859   9.462
   33   3HZ   LYS   1          1HZ       LYS   4   4.734  16.651   8.377
   34    H    SER   2           H        SER   5   2.757  17.710   1.449
   35    HA   SER   2           HA       SER   5   2.375  15.520  -0.405
   36   1HB   SER   2          1HB       SER   5   3.236  18.370  -0.999
   37   2HB   SER   2          2HB       SER   5   2.522  17.210  -2.138
   38    HG   SER   2           HG       SER   5   0.972  18.674  -1.197
   39    HA   PRO   3           HA       PRO   6   6.573  14.146  -1.003
   40   1HB   PRO   3          1HB       PRO   6   6.061  14.474  -3.976
   41   2HB   PRO   3          2HB       PRO   6   6.832  13.113  -3.117
   42   1HG   PRO   3          1HG       PRO   6   4.242  12.919  -3.892
   43   2HG   PRO   3          2HG       PRO   6   4.717  12.382  -2.253
   44   1HD   PRO   3          1HD       PRO   6   3.408  14.994  -3.043
   45   2HD   PRO   3          2HD       PRO   6   3.038  13.887  -1.686
   46    H    ALA   4           H        ALA   7   5.669  16.712  -3.372
   47    HA   ALA   4           HA       ALA   7   8.242  17.828  -3.583
   48   1HB   ALA   4          1HB       ALA   7   6.431  18.241  -5.229
   49   2HB   ALA   4          2HB       ALA   7   5.540  19.175  -4.003
   50   3HB   ALA   4          3HB       ALA   7   7.099  19.768  -4.617
   51    H    GLU   5           H        GLU   8   5.801  18.336  -1.305
   52    HA   GLU   5           HA       GLU   8   6.822  20.763  -0.070
   53   1HB   GLU   5          1HB       GLU   8   4.467  20.031   0.169
   54   2HB   GLU   5          2HB       GLU   8   5.008  18.615   1.089
   55   1HG   GLU   5          1HG       GLU   8   5.962  20.149   2.815
   56   2HG   GLU   5          2HG       GLU   8   5.192  21.499   1.961
   57    H    LEU   6           H        LEU   9   6.936  17.268   0.792
   58    HA   LEU   6           HA       LEU   9   8.765  17.531   2.926
   59   1HB   LEU   6          1HB       LEU   9   8.311  15.209   1.012
   60   2HB   LEU   6          2HB       LEU   9   9.303  15.097   2.468
   61    HG   LEU   6           HG       LEU   9   6.328  15.782   2.466
   62   1HD1  LEU   6          1HD1      LEU   9   6.779  13.470   1.705
   63   2HD1  LEU   6          2HD1      LEU   9   7.757  13.186   3.164
   64   3HD1  LEU   6          3HD1      LEU   9   6.013  13.495   3.302
   65   1HD2  LEU   6          1HD2      LEU   9   8.327  15.220   4.710
   66   2HD2  LEU   6          2HD2      LEU   9   7.373  16.701   4.463
   67   3HD2  LEU   6          3HD2      LEU   9   6.570  15.203   4.929
   68    H    LYS   7           H        LYS  10   9.309  17.075  -0.409
   69    HA   LYS   7           HA       LYS  10  12.167  16.912  -0.381
   70   1HB   LYS   7          1HB       LYS  10  10.831  16.354  -2.369
   71   2HB   LYS   7          2HB       LYS  10  10.388  18.053  -2.569
   72   1HG   LYS   7          1HG       LYS  10  12.698  18.701  -2.934
   73   2HG   LYS   7          2HG       LYS  10  13.277  17.062  -2.626
   74   1HD   LYS   7          1HD       LYS  10  11.284  17.741  -4.838
   75   2HD   LYS   7          2HD       LYS  10  13.025  17.888  -5.084
   76   1HE   LYS   7          1HE       LYS  10  11.672  15.282  -4.237
   77   2HE   LYS   7          2HE       LYS  10  12.051  15.725  -5.907
   78   1HZ   LYS   7          1HZ       LYS  10  14.351  15.870  -5.307
   79   2HZ   LYS   7          2HZ       LYS  10  14.018  15.437  -3.752
   80   3HZ   LYS   7          3HZ       LYS  10  13.751  14.372  -4.971
   81    H    SER   8           H        SER  11  10.050  19.787  -0.919
   82    HA   SER   8           HA       SER  11  12.083  21.722  -1.035
   83   1HB   SER   8          1HB       SER  11   9.250  22.029   0.056
   84   2HB   SER   8          2HB       SER  11  10.339  23.346  -0.415
   85    HG   SER   8           HG       SER  11   9.317  21.294  -2.097
   86    H    ILE   9           H        ILE  12  10.174  20.701   1.871
   87    HA   ILE   9           HA       ILE  12  11.584  22.376   3.679
   88    HB   ILE   9           HB       ILE  12  10.236  19.715   4.268
   89   1HG1  ILE   9          1HG1      ILE  12   9.158  22.546   4.682
   90   2HG1  ILE   9          2HG1      ILE  12   8.796  21.616   3.234
   91   1HG2  ILE   9          1HG2      ILE  12  11.826  20.425   6.051
   92   2HG2  ILE   9          2HG2      ILE  12  11.026  22.000   6.131
   93   3HG2  ILE   9          3HG2      ILE  12  10.163  20.525   6.605
   94   1HD1  ILE   9          1HD1      ILE  12   7.795  19.811   4.617
   95   2HD1  ILE   9          2HD1      ILE  12   8.028  20.818   6.065
   96   3HD1  ILE   9          3HD1      ILE  12   6.965  21.373   4.767
   97    H    PHE  10           H        PHE  13  12.118  18.919   2.814
   98    HA   PHE  10           HA       PHE  13  14.356  18.363   4.347
   99   1HB   PHE  10          1HB       PHE  13  13.291  16.647   3.091
  100   2HB   PHE  10          2HB       PHE  13  13.591  17.454   1.561
  101    HD1  PHE  10           HD2      PHE  13  15.170  15.495   4.273
  102    HD2  PHE  10           HD1      PHE  13  15.699  17.291   0.393
  103    HE1  PHE  10           HE2      PHE  13  17.323  14.281   4.000
  104    HE2  PHE  10           HE1      PHE  13  17.780  15.992   0.079
  105    HZ   PHE  10           HZ       PHE  13  18.585  14.470   1.878
  106    H    GLU  11           H        GLU  14  14.383  19.852   1.041
  107    HA   GLU  11           HA       GLU  14  17.207  20.181   0.909
  108   1HB   GLU  11          1HB       GLU  14  14.930  21.742  -0.370
  109   2HB   GLU  11          2HB       GLU  14  16.641  21.993  -0.761
  110   1HG   GLU  11          1HG       GLU  14  16.901  19.730  -1.557
  111   2HG   GLU  11          2HG       GLU  14  15.278  19.279  -1.028
  112    H    LYS  12           H        LYS  15  14.661  22.506   1.979
  113    HA   LYS  12           HA       LYS  15  16.463  24.596   2.697
  114   1HB   LYS  12          1HB       LYS  15  13.709  23.892   3.785
  115   2HB   LYS  12          2HB       LYS  15  14.554  25.400   4.135
  116   1HG   LYS  12          1HG       LYS  15  13.802  24.483   1.324
  117   2HG   LYS  12          2HG       LYS  15  12.826  25.556   2.334
  118   1HD   LYS  12          1HD       LYS  15  14.779  27.148   2.457
  119   2HD   LYS  12          2HD       LYS  15  15.641  26.133   1.290
  120   1HE   LYS  12          1HE       LYS  15  12.962  27.516   0.810
  121   2HE   LYS  12          2HE       LYS  15  14.535  28.050   0.198
  122   1HZ   LYS  12          1HZ       LYS  15  14.694  25.996  -1.018
  123   2HZ   LYS  12          2HZ       LYS  15  13.215  25.514  -0.474
  124   3HZ   LYS  12          3HZ       LYS  15  13.343  26.835  -1.447
  125    OH   TYR  13           OH       TYR  16  14.186  21.327  12.023
  126    H    TYR  13           H        TYR  16  15.481  21.706   4.451
  127    HA   TYR  13           HA       TYR  16  16.573  22.544   6.998
  128   1HB   TYR  13          1HB       TYR  16  14.935  20.435   6.026
  129   2HB   TYR  13          2HB       TYR  16  16.383  19.632   6.536
  130    HD1  TYR  13           HD2      TYR  16  13.611  21.878   7.547
  131    HD2  TYR  13           HD1      TYR  16  16.756  19.273   8.954
  132    HE1  TYR  13           HE2      TYR  16  12.874  22.181   9.884
  133    HE2  TYR  13           HE1      TYR  16  16.352  19.936  11.177
  134    HH   TYR  13           HH       TYR  16  13.685  20.574  12.361
  135    H    ALA  14           H        ALA  17  17.596  20.270   4.457
  136    HA   ALA  14           HA       ALA  17  20.134  19.502   5.374
  137   1HB   ALA  14          2HB       ALA  17  18.959  19.847   2.589
  138   2HB   ALA  14          3HB       ALA  17  20.578  19.210   2.914
  139   3HB   ALA  14          1HB       ALA  17  19.158  18.361   3.562
  140    H    ALA  15           H        ALA  18  19.087  22.487   3.700
  141    HA   ALA  15           HA       ALA  18  21.559  23.563   2.976
  142   1HB   ALA  15          1HB       ALA  18  19.275  24.515   2.446
  143   2HB   ALA  15          2HB       ALA  18  19.234  25.164   4.103
  144   3HB   ALA  15          3HB       ALA  18  20.478  25.710   2.972
  145    H    LYS  16           H        LYS  19  20.397  23.062   6.265
  146    HA   LYS  16           HA       LYS  19  22.015  25.058   7.548
  147   1HB   LYS  16          1HB       LYS  19  21.017  22.347   8.504
  148   2HB   LYS  16          2HB       LYS  19  21.777  23.567   9.537
  149   1HG   LYS  16          1HG       LYS  19  19.973  25.159   9.137
  150   2HG   LYS  16          2HG       LYS  19  19.276  24.135   7.882
  151   1HD   LYS  16          1HD       LYS  19  17.904  23.790   9.759
  152   2HD   LYS  16          2HD       LYS  19  18.897  22.337   9.610
  153   1HE   LYS  16          1HE       LYS  19  20.428  23.287  11.401
  154   2HE   LYS  16          2HE       LYS  19  19.313  24.657  11.567
  155   1HZ   LYS  16          1HZ       LYS  19  17.601  23.049  12.148
  156   2HZ   LYS  16          2HZ       LYS  19  18.702  21.824  12.012
  157   3HZ   LYS  16          3HZ       LYS  19  18.882  22.958  13.185
  158    H    GLU  17           H        GLU  20  22.685  21.909   6.129
  159    HA   GLU  17           HA       GLU  20  25.483  21.834   7.084
  160   1HB   GLU  17          1HB       GLU  20  23.915  19.878   5.333
  161   2HB   GLU  17          2HB       GLU  20  25.504  19.619   6.068
  162   1HG   GLU  17          1HG       GLU  20  24.440  19.845   8.340
  163   2HG   GLU  17          2HG       GLU  20  22.857  19.974   7.553
  164    H    GLY  18           H        GLY  21  27.135  21.406   5.292
  165   1HA   GLY  18          1HA       GLY  21  26.966  23.506   3.325
  166   2HA   GLY  18          2HA       GLY  21  28.274  22.346   3.543
  167    H    ASP  19           H        ASP  22  24.832  21.760   2.694
  168    HA   ASP  19           HA       ASP  22  25.091  21.449  -0.074
  169   1HB   ASP  19          1HB       ASP  22  26.531  19.515   0.263
  170   2HB   ASP  19          2HB       ASP  22  25.392  18.821   1.423
  171    HA   PRO  20           HA       PRO  23  20.819  21.396   1.632
  172   1HB   PRO  20          1HB       PRO  23  19.504  22.744  -0.314
  173   2HB   PRO  20          2HB       PRO  23  20.682  23.550   0.748
  174   1HG   PRO  20          1HG       PRO  23  21.218  22.419  -2.009
  175   2HG   PRO  20          2HG       PRO  23  21.554  24.079  -1.429
  176   1HD   PRO  20          1HD       PRO  23  23.453  22.132  -1.412
  177   2HD   PRO  20          2HD       PRO  23  23.366  23.330  -0.084
  178    H    ASN  21           H        ASN  24  21.795  18.987   0.705
  179    HA   ASN  21           HA       ASN  24  19.425  17.847  -0.671
  180   1HB   ASN  21          1HB       ASN  24  22.291  17.376  -1.605
  181   2HB   ASN  21          2HB       ASN  24  20.869  16.497  -2.160
  182   1HD2  ASN  21          1HD2      ASN  24  21.659  20.149  -3.757
  183   2HD2  ASN  21          2HD2      ASN  24  22.667  19.499  -2.463
  184    H    GLN  22           H        GLN  25  21.448  17.750   2.004
  185    HA   GLN  22           HA       GLN  25  20.738  14.957   2.546
  186   1HB   GLN  22          1HB       GLN  25  23.294  15.694   3.750
  187   2HB   GLN  22          2HB       GLN  25  22.928  14.247   2.814
  188   1HG   GLN  22          1HG       GLN  25  23.344  15.522   0.673
  189   2HG   GLN  22          2HG       GLN  25  23.734  16.955   1.647
  190   1HE2  GLN  22          1HE2      GLN  25  26.495  13.907   1.321
  191   2HE2  GLN  22          2HE2      GLN  25  24.795  13.607   0.937
  192    H    LEU  23           H        LEU  26  20.534  14.427   4.681
  193    HA   LEU  23           HA       LEU  26  21.216  16.594   6.482
  194   1HB   LEU  23          1HB       LEU  26  18.764  14.727   6.468
  195   2HB   LEU  23          2HB       LEU  26  19.206  15.534   7.974
  196    HG   LEU  23           HG       LEU  26  18.720  17.099   5.451
  197   1HD1  LEU  23          1HD1      LEU  26  16.715  15.690   6.007
  198   2HD1  LEU  23          2HD1      LEU  26  16.667  16.457   7.603
  199   3HD1  LEU  23          3HD1      LEU  26  16.411  17.427   6.131
  200   1HD2  LEU  23          2HD2      LEU  26  19.907  18.159   7.434
  201   2HD2  LEU  23          3HD2      LEU  26  18.366  18.928   7.061
  202   3HD2  LEU  23          1HD2      LEU  26  18.448  17.772   8.389
  203    H    SER  24           H        SER  27  22.198  15.947   8.447
  204    HA   SER  24           HA       SER  27  23.425  13.285   8.717
  205   1HB   SER  24          1HB       SER  27  24.351  14.344  10.764
  206   2HB   SER  24          2HB       SER  27  24.595  15.392   9.372
  207    HG   SER  24           HG       SER  27  23.073  16.735  10.055
  208    H    LYS  25           H        LYS  28  23.305  12.485  11.130
  209    HA   LYS  25           HA       LYS  28  20.792  11.354  11.693
  210   1HB   LYS  25          1HB       LYS  28  23.067  11.989  13.642
  211   2HB   LYS  25          2HB       LYS  28  21.795  10.784  13.870
  212   1HG   LYS  25          1HG       LYS  28  22.682   9.454  12.020
  213   2HG   LYS  25          2HG       LYS  28  23.902  10.683  11.648
  214   1HD   LYS  25          1HD       LYS  28  24.950  10.452  13.833
  215   2HD   LYS  25          2HD       LYS  28  23.732   9.280  14.332
  216   1HE   LYS  25          1HE       LYS  28  24.505   7.826  12.342
  217   2HE   LYS  25          2HE       LYS  28  25.837   8.972  12.135
  218   1HZ   LYS  25          2HZ       LYS  28  25.256   7.439  14.573
  219   2HZ   LYS  25          3HZ       LYS  28  26.436   7.083  13.473
  220   3HZ   LYS  25          1HZ       LYS  28  26.528   8.468  14.363
  221    H    GLU  26           H        GLU  29  22.469  13.993  13.429
  222    HA   GLU  26           HA       GLU  29  20.294  14.706  15.067
  223   1HB   GLU  26          1HB       GLU  29  21.573  16.602  15.764
  224   2HB   GLU  26          2HB       GLU  29  22.578  15.146  15.685
  225   1HG   GLU  26          1HG       GLU  29  23.315  15.902  13.382
  226   2HG   GLU  26          2HG       GLU  29  22.448  17.419  13.686
  227    H    GLU  27           H        GLU  30  21.328  16.063  11.883
  228    HA   GLU  27           HA       GLU  30  19.280  18.110  12.065
  229   1HB   GLU  27          1HB       GLU  30  20.803  17.179   9.634
  230   2HB   GLU  27          2HB       GLU  30  19.791  18.630   9.785
  231   1HG   GLU  27          1HG       GLU  30  22.310  18.191  11.422
  232   2HG   GLU  27          2HG       GLU  30  22.131  19.256  10.022
  233    H    LEU  28           H        LEU  31  19.293  14.752  10.789
  234    HA   LEU  28           HA       LEU  31  16.688  14.956   9.616
  235   1HB   LEU  28          1HB       LEU  31  18.291  12.643  10.762
  236   2HB   LEU  28          2HB       LEU  31  16.569  12.453  10.454
  237    HG   LEU  28           HG       LEU  31  18.597  13.128   8.319
  238   1HD1  LEU  28          2HD1      LEU  31  17.027  10.605   9.031
  239   2HD1  LEU  28          3HD1      LEU  31  17.987  10.837   7.580
  240   3HD1  LEU  28          1HD1      LEU  31  18.788  10.832   9.171
  241   1HD2  LEU  28          1HD2      LEU  31  15.595  12.523   8.172
  242   2HD2  LEU  28          2HD2      LEU  31  16.361  14.052   7.708
  243   3HD2  LEU  28          3HD2      LEU  31  16.689  12.600   6.776
  244    H    LYS  29           H        LYS  32  17.738  13.985  12.961
  245    HA   LYS  29           HA       LYS  32  15.080  13.776  13.987
  246   1HB   LYS  29          1HB       LYS  32  16.317  12.907  15.496
  247   2HB   LYS  29          2HB       LYS  32  17.662  14.007  15.281
  248   1HG   LYS  29          1HG       LYS  32  15.023  15.122  16.410
  249   2HG   LYS  29          2HG       LYS  32  16.090  14.169  17.477
  250   1HD   LYS  29          1HD       LYS  32  17.369  16.085  15.699
  251   2HD   LYS  29          2HD       LYS  32  16.224  16.853  16.799
  252   1HE   LYS  29          1HE       LYS  32  18.523  16.861  17.782
  253   2HE   LYS  29          2HE       LYS  32  17.400  15.906  18.763
  254   1HZ   LYS  29          1HZ       LYS  32  18.273  13.933  17.716
  255   2HZ   LYS  29          2HZ       LYS  32  19.316  14.830  16.814
  256   3HZ   LYS  29          3HZ       LYS  32  19.477  14.784  18.453
  257    H    GLN  30           H        GLN  33  17.010  16.739  13.615
  258    HA   GLN  30           HA       GLN  33  14.959  18.165  14.845
  259   1HB   GLN  30          1HB       GLN  33  17.176  18.986  12.926
  260   2HB   GLN  30          2HB       GLN  33  16.048  20.220  13.538
  261   1HG   GLN  30          1HG       GLN  33  16.721  19.899  15.771
  262   2HG   GLN  30          2HG       GLN  33  17.497  18.352  15.393
  263   1HE2  GLN  30          1HE2      GLN  33  20.557  19.670  14.260
  264   2HE2  GLN  30          2HE2      GLN  33  19.491  18.260  14.390
  265    H    LEU  31           H        LEU  34  15.520  17.400  11.376
  266    HA   LEU  31           HA       LEU  34  13.341  18.773  10.236
  267   1HB   LEU  31          1HB       LEU  34  14.950  17.529   8.831
  268   2HB   LEU  31          2HB       LEU  34  14.378  16.014   9.511
  269    HG   LEU  31           HG       LEU  34  12.082  16.493   8.561
  270   1HD1  LEU  31          2HD1      LEU  34  13.632  18.624   7.031
  271   2HD1  LEU  31          3HD1      LEU  34  11.994  18.073   6.656
  272   3HD1  LEU  31          1HD1      LEU  34  12.304  18.932   8.174
  273   1HD2  LEU  31          2HD2      LEU  34  13.680  14.915   7.542
  274   2HD2  LEU  31          3HD2      LEU  34  12.639  15.726   6.358
  275   3HD2  LEU  31          1HD2      LEU  34  14.323  16.241   6.548
  276    H    ILE  32           H        ILE  35  13.390  15.631  11.577
  277    HA   ILE  32           HA       ILE  35  10.588  15.145  11.317
  278    HB   ILE  32           HB       ILE  35  12.453  13.838  13.316
  279   1HG1  ILE  32          1HG1      ILE  35  13.330  13.338  11.162
  280   2HG1  ILE  32          2HG1      ILE  35  12.412  11.940  11.692
  281   1HG2  ILE  32          2HG2      ILE  35   9.669  13.052  12.353
  282   2HG2  ILE  32          3HG2      ILE  35  10.749  11.979  13.258
  283   3HG2  ILE  32          1HG2      ILE  35  10.153  13.460  14.007
  284   1HD1  ILE  32          1HD1      ILE  35  10.516  12.668  10.215
  285   2HD1  ILE  32          2HD1      ILE  35  11.541  13.996   9.617
  286   3HD1  ILE  32          3HD1      ILE  35  12.013  12.320   9.341
  287    H    GLN  33           H        GLN  36  12.306  16.380  14.013
  288    HA   GLN  33           HA       GLN  36   9.966  16.607  15.661
  289   1HB   GLN  33          1HB       GLN  36  11.155  17.515  17.299
  290   2HB   GLN  33          2HB       GLN  36  12.471  16.787  16.380
  291   1HG   GLN  33          1HG       GLN  36  12.905  19.065  15.371
  292   2HG   GLN  33          2HG       GLN  36  11.645  19.733  16.409
  293   1HE2  GLN  33          1HE2      GLN  36  13.577  19.375  19.432
  294   2HE2  GLN  33          2HE2      GLN  36  11.928  19.327  18.830
  295    H    ALA  34           H        ALA  37  11.335  18.793  13.213
  296    HA   ALA  34           HA       ALA  37   9.492  20.956  13.802
  297   1HB   ALA  34          2HB       ALA  37  11.127  20.348  11.307
  298   2HB   ALA  34          3HB       ALA  37  10.251  21.856  11.638
  299   3HB   ALA  34          1HB       ALA  37  11.602  21.375  12.681
  300    H    GLU  35           H        GLU  38   9.511  18.282  11.400
  301    HA   GLU  35           HA       GLU  38   7.015  19.144  10.172
  302   1HB   GLU  35          1HB       GLU  38   8.716  16.638   9.915
  303   2HB   GLU  35          2HB       GLU  38   7.245  16.926   8.979
  304   1HG   GLU  35          1HG       GLU  38   8.254  19.042   8.096
  305   2HG   GLU  35          2HG       GLU  38   9.767  18.637   8.921
  306    H    PHE  36           H        PHE  39   7.867  16.301  12.194
  307    HA   PHE  36           HA       PHE  39   5.247  16.128  13.393
  308   1HB   PHE  36          1HB       PHE  39   4.941  13.718  12.370
  309   2HB   PHE  36          2HB       PHE  39   4.295  15.181  11.652
  310    HD1  PHE  36           HD1      PHE  39   7.907  14.230  11.203
  311    HD2  PHE  36           HD2      PHE  39   3.932  14.088   9.538
  312    HE1  PHE  36           HE1      PHE  39   8.860  13.955   8.937
  313    HE2  PHE  36           HE2      PHE  39   4.897  13.646   7.304
  314    HZ   PHE  36           HZ       PHE  39   7.365  13.677   6.981
  315    HA   PRO  37           HA       PRO  40   8.724  14.589  15.915
  316   1HB   PRO  37          1HB       PRO  40   6.555  14.949  17.991
  317   2HB   PRO  37          2HB       PRO  40   8.300  15.316  18.139
  318   1HG   PRO  37          1HG       PRO  40   6.464  17.283  17.645
  319   2HG   PRO  37          2HG       PRO  40   8.069  17.285  16.879
  320   1HD   PRO  37          1HD       PRO  40   5.419  16.499  15.694
  321   2HD   PRO  37          2HD       PRO  40   6.817  17.306  14.914
  322    H    SER  38           H        SER  41   5.472  13.664  16.030
  323    HA   SER  38           HA       SER  41   5.166  11.408  17.454
  324   1HB   SER  38          1HB       SER  41   3.867  11.729  14.743
  325   2HB   SER  38          2HB       SER  41   3.152  11.173  16.270
  326    HG   SER  38           HG       SER  41   2.565  13.348  15.849
  327    H    LEU  39           H        LEU  42   7.196  11.412  14.648
  328    HA   LEU  39           HA       LEU  42   6.676   8.634  13.887
  329   1HB   LEU  39          1HB       LEU  42   8.822  10.571  12.979
  330   2HB   LEU  39          2HB       LEU  42   8.471   8.992  12.266
  331    HG   LEU  39           HG       LEU  42   6.600  11.403  12.295
  332   1HD1  LEU  39          1HD1      LEU  42   8.527  11.530  10.743
  333   2HD1  LEU  39          2HD1      LEU  42   8.059   9.965  10.044
  334   3HD1  LEU  39          3HD1      LEU  42   6.985  11.375   9.884
  335   1HD2  LEU  39          1HD2      LEU  42   6.196   8.590  11.181
  336   2HD2  LEU  39          2HD2      LEU  42   5.195   9.412  12.404
  337   3HD2  LEU  39          3HD2      LEU  42   5.209   9.996  10.740
  338    H    LEU  40           H        LEU  43   7.133   8.615  16.445
  339    HA   LEU  40           HA       LEU  43   9.915   7.818  17.056
  340   1HB   LEU  40          1HB       LEU  43   7.349   7.457  18.657
  341   2HB   LEU  40          2HB       LEU  43   8.995   7.198  19.247
  342    HG   LEU  40           HG       LEU  43   7.796   9.856  18.331
  343   1HD1  LEU  40          1HD1      LEU  43   6.912   9.050  20.474
  344   2HD1  LEU  40          2HD1      LEU  43   8.561   8.815  21.086
  345   3HD1  LEU  40          3HD1      LEU  43   7.970  10.452  20.722
  346   1HD2  LEU  40          1HD2      LEU  43  10.565   9.261  19.459
  347   2HD2  LEU  40          2HD2      LEU  43  10.188   9.889  17.838
  348   3HD2  LEU  40          3HD2      LEU  43   9.864  10.880  19.260
  349    H    LYS  41           H        LYS  44  10.004   6.397  15.196
  350    HA   LYS  41           HA       LYS  44   8.319   4.072  14.968
  351   1HB   LYS  41          1HB       LYS  44  11.040   4.541  13.698
  352   2HB   LYS  41          2HB       LYS  44   9.790   3.386  13.196
  353   1HG   LYS  41          1HG       LYS  44   8.233   5.416  12.888
  354   2HG   LYS  41          2HG       LYS  44   9.679   6.421  13.108
  355   1HD   LYS  41          1HD       LYS  44  10.748   5.119  11.193
  356   2HD   LYS  41          2HD       LYS  44   9.132   4.434  10.892
  357   1HE   LYS  41          1HE       LYS  44   8.242   6.810  10.755
  358   2HE   LYS  41          2HE       LYS  44   9.912   7.393  10.896
  359   1HZ   LYS  41          1HZ       LYS  44  10.393   6.090   8.903
  360   2HZ   LYS  41          2HZ       LYS  44   8.787   5.753   8.736
  361   3HZ   LYS  41          3HZ       LYS  44   9.317   7.308   8.645
  362    H    GLY  42           H        GLY  45   8.581   3.541  17.360
  363   1HA   GLY  42          1HA       GLY  45   9.301   1.127  17.984
  364   2HA   GLY  42          2HA       GLY  45  10.934   1.823  17.962
  365    HA   PRO  43           HA       PRO  46   9.250   2.291  22.299
  366   1HB   PRO  43          1HB       PRO  46  12.255   2.342  22.668
  367   2HB   PRO  43          2HB       PRO  46  11.017   1.596  23.719
  368   1HG   PRO  43          1HG       PRO  46  12.457   0.036  22.036
  369   2HG   PRO  43          2HG       PRO  46  10.687  -0.198  22.147
  370   1HD   PRO  43          1HD       PRO  46  12.228   1.342  20.038
  371   2HD   PRO  43          2HD       PRO  46  10.908   0.154  19.827
  372    NH1  ARG  44           NH1      ARG  47   8.697   9.036  24.042
  373    NH2  ARG  44           NH2      ARG  47   8.320   6.738  24.037
  374    H    ARG  44           H        ARG  47  11.817   3.954  20.527
  375    HA   ARG  44           HA       ARG  47  10.737   6.557  21.111
  376   1HB   ARG  44          1HB       ARG  47  12.381   5.869  23.091
  377   2HB   ARG  44          2HB       ARG  47  13.656   6.087  21.919
  378   1HG   ARG  44          1HG       ARG  47  13.311   8.044  23.349
  379   2HG   ARG  44          2HG       ARG  47  13.097   8.444  21.643
  380   1HD   ARG  44          1HD       ARG  47  11.436   9.356  23.494
  381   2HD   ARG  44          2HD       ARG  47  10.843   8.893  21.892
  382    HE   ARG  44           HE       ARG  47  10.583   6.558  23.280
  383   1HH1  ARG  44          1HH1      ARG  47   9.325   9.806  23.870
  384   2HH1  ARG  44          2HH1      ARG  47   7.759   9.218  24.364
  385   1HH2  ARG  44          1HH2      ARG  47   8.674   5.822  23.758
  386   2HH2  ARG  44          2HH2      ARG  47   7.372   6.840  24.366
  387    H    THR  45           H        THR  48  13.797   4.939  20.004
  388    HA   THR  45           HA       THR  48  14.960   5.069  18.233
  389    HB   THR  45           HB       THR  48  12.315   5.369  16.757
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          1HG2      THR  48  14.516   5.633  15.448
  391   2HG2  THR  45          2HG2      THR  48  14.949   4.052  16.163
  392   3HG2  THR  45          3HG2      THR  48  13.571   4.173  15.036
  393    H    LEU  46           H        LEU  49  12.652   7.234  17.087
  394    HA   LEU  46           HA       LEU  49  12.695   8.987  15.751
  395   1HB   LEU  46          1HB       LEU  49  12.794  10.060  17.981
  396   2HB   LEU  46          2HB       LEU  49  14.557  10.158  17.857
  397    HG   LEU  46           HG       LEU  49  14.374  11.665  15.912
  398   1HD1  LEU  46          2HD1      LEU  49  11.362  11.284  16.231
  399   2HD1  LEU  46          3HD1      LEU  49  12.107  12.617  15.336
  400   3HD1  LEU  46          1HD1      LEU  49  12.348  10.959  14.784
  401   1HD2  LEU  46          2HD2      LEU  49  14.333  12.602  18.204
  402   2HD2  LEU  46          3HD2      LEU  49  13.363  13.591  17.093
  403   3HD2  LEU  46          1HD2      LEU  49  12.561  12.489  18.225
  404    H    ASP  47           H        ASP  50  16.186   8.669  16.692
  405    HA   ASP  47           HA       ASP  50  16.760   8.332  13.879
  406   1HB   ASP  47          1HB       ASP  50  18.468   9.790  13.733
  407   2HB   ASP  47          2HB       ASP  50  16.958  10.688  14.071
  408    H    ASP  48           H        ASP  51  17.056   6.525  14.381
  409    HA   ASP  48           HA       ASP  51  19.702   5.566  15.350
  410   1HB   ASP  48          1HB       ASP  51  18.280   5.162  17.307
  411   2HB   ASP  48          2HB       ASP  51  17.116   4.278  16.310
  412    H    LEU  49           H        LEU  52  16.620   4.122  13.962
  413    HA   LEU  49           HA       LEU  52  18.164   2.469  12.218
  414   1HB   LEU  49          1HB       LEU  52  16.193   2.012  10.996
  415   2HB   LEU  49          2HB       LEU  52  15.812   2.087  12.709
  416    HG   LEU  49           HG       LEU  52  15.100   4.605  12.106
  417   1HD1  LEU  49          1HD1      LEU  52  15.781   4.407   9.658
  418   2HD1  LEU  49          2HD1      LEU  52  14.643   3.067   9.493
  419   3HD1  LEU  49          3HD1      LEU  52  14.046   4.694   9.857
  420   1HD2  LEU  49          2HD2      LEU  52  13.627   2.863  13.052
  421   2HD2  LEU  49          3HD2      LEU  52  12.803   3.780  11.783
  422   3HD2  LEU  49          1HD2      LEU  52  13.422   2.151  11.441
  423    H    PHE  50           H        PHE  53  17.093   5.791  12.075
  424    HA   PHE  50           HA       PHE  53  17.756   6.758   9.542
  425   1HB   PHE  50          1HB       PHE  53  18.107   7.796  12.351
  426   2HB   PHE  50          2HB       PHE  53  18.454   8.808  11.015
  427    HD1  PHE  50           HD2      PHE  53  15.500   6.535  10.692
  428    HD2  PHE  50           HD1      PHE  53  16.916  10.493  11.679
  429    HE1  PHE  50           HE2      PHE  53  13.187   7.319  10.893
  430    HE2  PHE  50           HE1      PHE  53  14.603  11.315  11.631
  431    HZ   PHE  50           HZ       PHE  53  12.713   9.718  11.272
  432    H    GLN  51           H        GLN  54  19.953   5.853  12.262
  433    HA   GLN  51           HA       GLN  54  22.275   7.054  11.172
  434   1HB   GLN  51          1HB       GLN  54  21.994   4.680  13.101
  435   2HB   GLN  51          2HB       GLN  54  23.494   5.535  12.732
  436   1HG   GLN  51          1HG       GLN  54  22.413   7.639  13.561
  437   2HG   GLN  51          2HG       GLN  54  21.006   6.720  14.042
  438   1HE2  GLN  51          1HE2      GLN  54  22.831   4.999  16.723
  439   2HE2  GLN  51          2HE2      GLN  54  21.607   4.644  15.530
  440    H    GLU  52           H        GLU  55  20.650   3.984  10.437
  441    HA   GLU  52           HA       GLU  55  22.883   2.820   9.018
  442   1HB   GLU  52          1HB       GLU  55  19.894   2.351   8.624
  443   2HB   GLU  52          2HB       GLU  55  21.213   1.310   8.087
  444   1HG   GLU  52          1HG       GLU  55  21.858   0.852  10.420
  445   2HG   GLU  52          2HG       GLU  55  20.597   1.937  11.021
  446    H    LEU  53           H        LEU  56  20.330   5.147   8.267
  447    HA   LEU  53           HA       LEU  56  20.781   5.115   5.395
  448   1HB   LEU  53          1HB       LEU  56  19.258   7.141   7.058
  449   2HB   LEU  53          2HB       LEU  56  19.178   6.897   5.317
  450    HG   LEU  53           HG       LEU  56  18.269   4.880   7.403
  451   1HD1  LEU  53          1HD1      LEU  56  16.833   6.907   7.248
  452   2HD1  LEU  53          2HD1      LEU  56  16.677   6.655   5.498
  453   3HD1  LEU  53          3HD1      LEU  56  16.005   5.466   6.634
  454   1HD2  LEU  53          1HD2      LEU  56  18.092   4.836   4.354
  455   2HD2  LEU  53          2HD2      LEU  56  19.002   3.703   5.382
  456   3HD2  LEU  53          3HD2      LEU  56  17.237   3.720   5.439
  457    H    ASP  54           H        ASP  57  22.021   6.883   8.148
  458    HA   ASP  54           HA       ASP  57  23.231   9.220   6.903
  459   1HB   ASP  54          1HB       ASP  57  22.682   8.829   9.315
  460   2HB   ASP  54          2HB       ASP  57  24.063   7.723   9.405
  461    H    LYS  55           H        LYS  58  23.903   7.734   4.926
  462    HA   LYS  55           HA       LYS  58  26.216   6.019   5.323
  463   1HB   LYS  55          1HB       LYS  58  24.684   7.023   2.949
  464   2HB   LYS  55          2HB       LYS  58  26.242   6.155   2.774
  465   1HG   LYS  55          1HG       LYS  58  25.364   4.202   3.865
  466   2HG   LYS  55          2HG       LYS  58  23.902   5.050   4.378
  467   1HD   LYS  55          1HD       LYS  58  23.594   3.461   2.475
  468   2HD   LYS  55          2HD       LYS  58  22.993   5.082   2.175
  469   1HE   LYS  55          1HE       LYS  58  25.762   4.252   1.222
  470   2HE   LYS  55          2HE       LYS  58  24.307   3.848   0.301
  471   1HZ   LYS  55          1HZ       LYS  58  23.755   6.143   0.161
  472   2HZ   LYS  55          2HZ       LYS  58  25.094   6.587   1.004
  473   3HZ   LYS  55          3HZ       LYS  58  25.251   5.867  -0.466
  474    H    ASN  56           H        ASN  59  28.241   6.555   5.398
  475    HA   ASN  56           HA       ASN  59  29.097   9.305   5.286
  476   1HB   ASN  56          1HB       ASN  59  30.098   7.668   6.828
  477   2HB   ASN  56          2HB       ASN  59  30.729   6.742   5.455
  478   1HD2  ASN  56          1HD2      ASN  59  32.425  10.435   6.285
  479   2HD2  ASN  56          2HD2      ASN  59  30.731  10.179   6.664
  480    H    GLY  57           H        GLY  60  29.001   6.725   2.908
  481   1HA   GLY  57          1HA       GLY  60  30.987   7.467   1.088
  482   2HA   GLY  57          2HA       GLY  60  29.417   6.768   0.640
  483    H    ASP  58           H        ASP  61  27.622   8.686   1.348
  484    HA   ASP  58           HA       ASP  61  28.192  10.917  -0.526
  485   1HB   ASP  58          1HB       ASP  61  25.818  11.389  -0.365
  486   2HB   ASP  58          2HB       ASP  61  26.090   9.701  -0.815
  487    H    GLY  59           H        GLY  62  27.722  10.223   2.931
  488   1HA   GLY  59          1HA       GLY  62  29.110  11.899   4.247
  489   2HA   GLY  59          2HA       GLY  62  27.987  13.115   3.621
  490    H    GLU  60           H        GLU  63  25.575  12.050   3.710
  491    HA   GLU  60           HA       GLU  63  24.989  11.127   6.530
  492   1HB   GLU  60          1HB       GLU  63  23.719  13.553   5.355
  493   2HB   GLU  60          2HB       GLU  63  23.567  12.612   6.872
  494   1HG   GLU  60          1HG       GLU  63  24.808  14.668   7.308
  495   2HG   GLU  60          2HG       GLU  63  25.921  13.294   7.470
  496    H    VAL  61           H        VAL  64  22.180  12.256   5.615
  497    HA   VAL  61           HA       VAL  64  21.321   9.961   3.947
  498    HB   VAL  61           HB       VAL  64  19.636  11.771   5.786
  499   1HG1  VAL  61          1HG1      VAL  64  18.464  10.512   3.998
  500   2HG1  VAL  61          2HG1      VAL  64  19.184   9.005   4.611
  501   3HG1  VAL  61          3HG1      VAL  64  18.029   9.896   5.600
  502   1HG2  VAL  61          1HG2      VAL  64  21.116   9.232   6.323
  503   2HG2  VAL  61          2HG2      VAL  64  21.150  10.699   7.315
  504   3HG2  VAL  61          3HG2      VAL  64  19.732   9.629   7.308
  505    H    SER  62           H        SER  65  22.023  10.870   2.083
  506    HA   SER  62           HA       SER  65  21.226  13.502   1.181
  507   1HB   SER  62          1HB       SER  65  22.187  11.055  -0.287
  508   2HB   SER  62          2HB       SER  65  22.002  12.678  -1.000
  509    HG   SER  62           HG       SER  65  23.698  11.916   1.146
  510    H    PHE  63           H        PHE  66  19.651  13.733  -0.732
  511    HA   PHE  63           HA       PHE  66  17.118  12.857  -0.177
  512   1HB   PHE  63          1HB       PHE  66  17.695  14.538  -1.914
  513   2HB   PHE  63          2HB       PHE  66  18.090  13.222  -3.018
  514    HD1  PHE  63           HD1      PHE  66  15.365  14.762  -0.970
  515    HD2  PHE  63           HD2      PHE  66  16.302  11.876  -4.038
  516    HE1  PHE  63           HE1      PHE  66  12.957  14.241  -1.220
  517    HE2  PHE  63           HE2      PHE  66  13.901  11.335  -4.256
  518    HZ   PHE  63           HZ       PHE  66  12.222  12.500  -2.837
  519    H    GLU  64           H        GLU  67  19.498  11.184  -2.144
  520    HA   GLU  64           HA       GLU  67  18.125   9.018  -3.191
  521   1HB   GLU  64          1HB       GLU  67  21.007   9.252  -2.220
  522   2HB   GLU  64          2HB       GLU  67  20.373   7.877  -3.121
  523   1HG   GLU  64          1HG       GLU  67  21.495   9.334  -4.669
  524   2HG   GLU  64          2HG       GLU  67  19.764   9.341  -5.018
  525    H    GLU  65           H        GLU  68  19.333   9.423   0.132
  526    HA   GLU  65           HA       GLU  68  18.495   6.657   0.863
  527   1HB   GLU  65          1HB       GLU  68  19.968   8.806   2.453
  528   2HB   GLU  65          2HB       GLU  68  19.500   7.210   3.040
  529   1HG   GLU  65          1HG       GLU  68  21.709   6.936   2.509
  530   2HG   GLU  65          2HG       GLU  68  20.880   6.220   1.115
  531    H    PHE  66           H        PHE  69  17.888  10.091   1.644
  532    HA   PHE  66           HA       PHE  69  15.978   9.872   3.636
  533   1HB   PHE  66          1HB       PHE  69  16.942  12.015   2.871
  534   2HB   PHE  66          2HB       PHE  69  16.086  11.827   1.342
  535    HD1  PHE  66           HD1      PHE  69  15.169  11.739   5.003
  536    HD2  PHE  66           HD2      PHE  69  14.241  13.209   1.057
  537    HE1  PHE  66           HE1      PHE  69  13.201  12.949   5.910
  538    HE2  PHE  66           HE2      PHE  69  12.305  14.448   1.975
  539    HZ   PHE  66           HZ       PHE  69  11.772  14.313   4.398
  540    H    GLN  67           H        GLN  70  15.427   9.633   0.087
  541    HA   GLN  67           HA       GLN  70  12.650   9.587   0.115
  542   1HB   GLN  67          1HB       GLN  70  12.734   8.349  -1.965
  543   2HB   GLN  67          2HB       GLN  70  13.939   9.645  -1.918
  544   1HG   GLN  67          1HG       GLN  70  15.674   7.959  -1.301
  545   2HG   GLN  67          2HG       GLN  70  14.477   6.670  -1.509
  546   1HE2  GLN  67          1HE2      GLN  70  16.475   7.066  -4.671
  547   2HE2  GLN  67          2HE2      GLN  70  16.907   6.818  -2.976
  548    H    VAL  68           H        VAL  71  14.851   6.965   1.180
  549    HA   VAL  68           HA       VAL  71  12.832   4.922   1.280
  550    HB   VAL  68           HB       VAL  71  15.377   5.203   2.942
  551   1HG1  VAL  68          2HG1      VAL  71  13.640   2.783   2.301
  552   2HG1  VAL  68          3HG1      VAL  71  15.212   2.736   3.127
  553   3HG1  VAL  68          1HG1      VAL  71  13.839   3.541   3.895
  554   1HG2  VAL  68          1HG2      VAL  71  14.881   3.793   0.277
  555   2HG2  VAL  68          2HG2      VAL  71  15.901   5.227   0.512
  556   3HG2  VAL  68          3HG2      VAL  71  16.370   3.688   1.237
  557    H    LEU  69           H        LEU  72  14.034   7.365   3.614
  558    HA   LEU  69           HA       LEU  72  12.394   6.559   5.794
  559   1HB   LEU  69          1HB       LEU  72  14.339   8.003   6.080
  560   2HB   LEU  69          2HB       LEU  72  13.565   9.291   5.153
  561    HG   LEU  69           HG       LEU  72  11.845   9.570   6.836
  562   1HD1  LEU  69          2HD1      LEU  72  13.239   7.326   8.346
  563   2HD1  LEU  69          3HD1      LEU  72  11.984   8.401   9.019
  564   3HD1  LEU  69          1HD1      LEU  72  11.584   7.312   7.695
  565   1HD2  LEU  69          2HD2      LEU  72  14.003  10.789   7.049
  566   2HD2  LEU  69          3HD2      LEU  72  13.276  10.469   8.630
  567   3HD2  LEU  69          1HD2      LEU  72  14.639   9.481   8.069
  568    H    VAL  70           H        VAL  73  11.937   8.958   3.190
  569    HA   VAL  70           HA       VAL  73   9.384   9.907   3.867
  570    HB   VAL  70           HB       VAL  73  10.612   9.535   1.130
  571   1HG1  VAL  70          2HG1      VAL  73   8.130  11.074   1.975
  572   2HG1  VAL  70          3HG1      VAL  73   8.971  11.289   0.426
  573   3HG1  VAL  70          1HG1      VAL  73   8.213   9.740   0.806
  574   1HG2  VAL  70          2HG2      VAL  73  11.840  11.068   2.695
  575   2HG2  VAL  70          3HG2      VAL  73  11.106  11.931   1.338
  576   3HG2  VAL  70          1HG2      VAL  73  10.340  11.979   2.939
  577    H    LYS  71           H        LYS  74  10.213   7.125   1.728
  578    HA   LYS  71           HA       LYS  74   7.642   6.371   1.002
  579   1HB   LYS  71          1HB       LYS  74  10.156   4.740   1.444
  580   2HB   LYS  71          2HB       LYS  74   8.675   3.998   0.845
  581   1HG   LYS  71          1HG       LYS  74   9.896   6.422  -0.519
  582   2HG   LYS  71          2HG       LYS  74  10.409   4.768  -0.885
  583   1HD   LYS  71          1HD       LYS  74   8.039   4.183  -1.452
  584   2HD   LYS  71          2HD       LYS  74   7.571   5.870  -1.202
  585   1HE   LYS  71          1HE       LYS  74   9.596   4.857  -3.254
  586   2HE   LYS  71          2HE       LYS  74   7.935   5.369  -3.590
  587   1HZ   LYS  71          1HZ       LYS  74   8.516   7.555  -2.805
  588   2HZ   LYS  71          2HZ       LYS  74  10.072   7.083  -2.534
  589   3HZ   LYS  71          3HZ       LYS  74   9.473   7.100  -4.066
  590    H    LYS  72           H        LYS  75   9.297   5.469   4.066
  591    HA   LYS  72           HA       LYS  75   6.699   4.209   4.897
  592   1HB   LYS  72          1HB       LYS  75   8.000   2.870   6.504
  593   2HB   LYS  72          2HB       LYS  75   8.175   2.506   4.797
  594   1HG   LYS  72          1HG       LYS  75  10.267   2.252   5.861
  595   2HG   LYS  72          2HG       LYS  75  10.370   3.577   4.708
  596   1HD   LYS  72          1HD       LYS  75  10.219   5.222   6.522
  597   2HD   LYS  72          2HD       LYS  75   9.938   3.941   7.716
  598   1HE   LYS  72          1HE       LYS  75  12.470   4.210   6.023
  599   2HE   LYS  72          2HE       LYS  75  12.303   4.820   7.681
  600   1HZ   LYS  72          1HZ       LYS  75  11.883   2.583   8.399
  601   2HZ   LYS  72          2HZ       LYS  75  12.076   2.013   6.865
  602   3HZ   LYS  72          3HZ       LYS  75  13.346   2.705   7.649
  603    H    ILE  73           H        ILE  76   6.947   7.035   5.010
  604    HA   ILE  73           HA       ILE  76   7.387   7.846   7.727
  605    HB   ILE  73           HB       ILE  76   5.722   8.970   5.463
  606   1HG1  ILE  73          1HG1      ILE  76   8.229   9.078   5.470
  607   2HG1  ILE  73          2HG1      ILE  76   7.390  10.622   5.270
  608   1HG2  ILE  73          2HG2      ILE  76   5.920  10.051   8.292
  609   2HG2  ILE  73          3HG2      ILE  76   5.491  11.055   6.888
  610   3HG2  ILE  73          1HG2      ILE  76   4.457   9.707   7.354
  611   1HD1  ILE  73          2HD1      ILE  76   8.763   9.604   7.802
  612   2HD1  ILE  73          3HD1      ILE  76   9.363  10.838   6.690
  613   3HD1  ILE  73          1HD1      ILE  76   7.913  11.162   7.645
  614    H    SER  74           H        SER  77   6.475   6.735   9.307
  615    HA   SER  74           HA       SER  77   3.976   5.358   9.181
  616   1HB   SER  74          1HB       SER  77   5.468   6.094  11.719
  617   2HB   SER  74          2HB       SER  77   4.562   4.622  11.335
  618    HG   SER  74           HG       SER  77   6.323   4.505   9.556
  619    H    GLN  75           H        GLN  78   2.903   7.454   8.344
  620    HA   GLN  75           HA       GLN  78   1.377   9.095   8.611
  621   1HB   GLN  75          1HB       GLN  78   0.724   7.787  11.290
  622   2HB   GLN  75          2HB       GLN  78  -0.348   8.731  10.246
  623   1HG   GLN  75          1HG       GLN  78   0.852   5.975   9.688
  624   2HG   GLN  75          2HG       GLN  78  -0.840   6.352  10.012
  625   1HE2  GLN  75          1HE2      GLN  78  -1.372   7.785   6.705
  626   2HE2  GLN  75          2HE2      GLN  78  -1.817   8.065   8.379
   
  No H/Q in entry =         627
  Start of MODEL           6
 Raw file had 628 H/Q atoms
  Start of MODEL    6
    1   1H    SER  -2           2H       SER   1  -5.844  16.839   0.138
    2   2H    SER  -2           3H       SER   1  -6.457  16.391  -1.359
    3   3H    SER  -2           1H       SER   1  -7.062  15.712   0.057
    4    HA   SER  -2           HA       SER   1  -5.675  14.097  -0.658
    5   1HB   SER  -2          1HB       SER   1  -3.662  16.097  -1.729
    6   2HB   SER  -2          2HB       SER   1  -4.069  14.473  -2.329
    7    HG   SER  -2           HG       SER   1  -5.050  16.104  -3.631
    8    H    ALA  -1           H        ALA   2  -3.402  13.340   0.158
    9    HA   ALA  -1           HA       ALA   2  -2.979  14.065   2.832
   10   1HB   ALA  -1          2HB       ALA   2  -1.020  12.859   0.824
   11   2HB   ALA  -1          3HB       ALA   2  -0.819  12.864   2.586
   12   3HB   ALA  -1          1HB       ALA   2  -2.160  11.961   1.854
   13    H    GLN   0           H        GLN   3  -2.067  15.861   3.725
   14    HA   GLN   0           HA       GLN   3  -1.095  18.013   2.113
   15   1HB   GLN   0          1HB       GLN   3  -0.802  17.577   5.110
   16   2HB   GLN   0          2HB       GLN   3  -0.584  19.106   4.247
   17   1HG   GLN   0          1HG       GLN   3  -3.206  17.531   4.476
   18   2HG   GLN   0          2HG       GLN   3  -2.768  18.989   5.356
   19   1HE2  GLN   0          1HE2      GLN   3  -4.053  19.334   1.490
   20   2HE2  GLN   0          2HE2      GLN   3  -3.728  17.723   2.121
   21    H    LYS   1           H        LYS   4   0.547  16.077   4.401
   22    HA   LYS   1           HA       LYS   4   3.210  16.736   3.493
   23   1HB   LYS   1          1HB       LYS   4   2.313  14.203   4.950
   24   2HB   LYS   1          2HB       LYS   4   3.982  14.695   4.621
   25   1HG   LYS   1          1HG       LYS   4   1.997  16.131   6.442
   26   2HG   LYS   1          2HG       LYS   4   3.442  15.219   6.903
   27   1HD   LYS   1          1HD       LYS   4   4.662  16.976   5.285
   28   2HD   LYS   1          2HD       LYS   4   3.228  17.957   5.635
   29   1HE   LYS   1          1HE       LYS   4   5.216  16.767   7.607
   30   2HE   LYS   1          2HE       LYS   4   5.091  18.473   7.159
   31   1HZ   LYS   1          2HZ       LYS   4   2.991  16.946   8.535
   32   2HZ   LYS   1          3HZ       LYS   4   4.062  17.966   9.262
   33   3HZ   LYS   1          1HZ       LYS   4   2.960  18.558   8.181
   34    H    SER   2           H        SER   5   4.138  16.180   1.649
   35    HA   SER   2           HA       SER   5   3.362  13.770   0.169
   36   1HB   SER   2          1HB       SER   5   3.043  15.383  -1.859
   37   2HB   SER   2          2HB       SER   5   1.742  15.275  -0.658
   38    HG   SER   2           HG       SER   5   2.334  17.186   0.225
   39    HA   PRO   3           HA       PRO   6   7.612  13.490  -0.772
   40   1HB   PRO   3          1HB       PRO   6   6.805  13.567  -3.701
   41   2HB   PRO   3          2HB       PRO   6   8.026  12.531  -2.908
   42   1HG   PRO   3          1HG       PRO   6   5.550  11.559  -3.373
   43   2HG   PRO   3          2HG       PRO   6   6.316  11.286  -1.777
   44   1HD   PRO   3          1HD       PRO   6   4.205  13.317  -2.508
   45   2HD   PRO   3          2HD       PRO   6   4.354  12.288  -1.053
   46    H    ALA   4           H        ALA   7   6.174  15.716  -3.252
   47    HA   ALA   4           HA       ALA   7   8.439  17.259  -3.662
   48   1HB   ALA   4          1HB       ALA   7   6.417  17.374  -5.079
   49   2HB   ALA   4          2HB       ALA   7   5.530  18.161  -3.754
   50   3HB   ALA   4          3HB       ALA   7   6.896  18.992  -4.530
   51    H    GLU   5           H        GLU   8   5.978  17.770  -1.364
   52    HA   GLU   5           HA       GLU   8   6.932  20.235  -0.244
   53   1HB   GLU   5          1HB       GLU   8   4.607  19.211   0.107
   54   2HB   GLU   5          2HB       GLU   8   5.357  18.114   1.275
   55   1HG   GLU   5          1HG       GLU   8   6.266  20.273   2.421
   56   2HG   GLU   5          2HG       GLU   8   5.113  21.143   1.403
   57    H    LEU   6           H        LEU   9   7.263  16.842   0.869
   58    HA   LEU   6           HA       LEU   9   9.037  17.393   2.996
   59   1HB   LEU   6          1HB       LEU   9   8.678  14.877   1.336
   60   2HB   LEU   6          2HB       LEU   9   9.597  14.930   2.844
   61    HG   LEU   6           HG       LEU   9   6.638  15.693   2.677
   62   1HD1  LEU   6          1HD1      LEU   9   6.983  13.322   2.020
   63   2HD1  LEU   6          2HD1      LEU   9   7.877  13.053   3.537
   64   3HD1  LEU   6          3HD1      LEU   9   6.153  13.478   3.578
   65   1HD2  LEU   6          1HD2      LEU   9   8.468  15.025   5.014
   66   2HD2  LEU   6          2HD2      LEU   9   7.769  16.620   4.659
   67   3HD2  LEU   6          3HD2      LEU   9   6.717  15.283   5.131
   68    H    LYS   7           H        LYS  10   9.647  16.812  -0.287
   69    HA   LYS   7           HA       LYS  10  12.504  16.653  -0.141
   70   1HB   LYS   7          1HB       LYS  10  10.915  15.968  -2.070
   71   2HB   LYS   7          2HB       LYS  10  11.047  17.634  -2.633
   72   1HG   LYS   7          1HG       LYS  10  13.492  15.932  -2.000
   73   2HG   LYS   7          2HG       LYS  10  12.617  15.719  -3.518
   74   1HD   LYS   7          1HD       LYS  10  13.140  17.918  -4.270
   75   2HD   LYS   7          2HD       LYS  10  13.665  18.439  -2.667
   76   1HE   LYS   7          1HE       LYS  10  15.573  17.964  -4.233
   77   2HE   LYS   7          2HE       LYS  10  15.627  17.033  -2.726
   78   1HZ   LYS   7          2HZ       LYS  10  14.634  16.020  -5.295
   79   2HZ   LYS   7          3HZ       LYS  10  16.117  15.705  -4.644
   80   3HZ   LYS   7          1HZ       LYS  10  14.760  15.163  -3.890
   81    H    SER   8           H        SER  11  10.256  19.363  -0.850
   82    HA   SER   8           HA       SER  11  12.206  21.394  -1.173
   83   1HB   SER   8          1HB       SER  11   9.403  21.673   0.006
   84   2HB   SER   8          2HB       SER  11  10.403  22.962  -0.682
   85    HG   SER   8           HG       SER  11   9.412  20.670  -2.062
   86    H    ILE   9           H        ILE  12  10.431  20.356   1.790
   87    HA   ILE   9           HA       ILE  12  11.745  22.149   3.575
   88    HB   ILE   9           HB       ILE  12  10.523  19.412   4.101
   89   1HG1  ILE   9          1HG1      ILE  12   9.274  22.111   4.736
   90   2HG1  ILE   9          2HG1      ILE  12   9.056  21.401   3.140
   91   1HG2  ILE   9          2HG2      ILE  12  11.292  21.683   6.000
   92   2HG2  ILE   9          3HG2      ILE  12  10.362  20.253   6.470
   93   3HG2  ILE   9          1HG2      ILE  12  12.036  20.077   5.937
   94   1HD1  ILE   9          2HD1      ILE  12   8.276  19.995   5.726
   95   2HD1  ILE   9          3HD1      ILE  12   7.184  20.850   4.630
   96   3HD1  ILE   9          1HD1      ILE  12   8.038  19.396   4.077
   97    H    PHE  10           H        PHE  13  12.491  18.767   2.637
   98    HA   PHE  10           HA       PHE  13  14.757  18.320   4.207
   99   1HB   PHE  10          1HB       PHE  13  13.732  16.574   2.908
  100   2HB   PHE  10          2HB       PHE  13  14.087  17.385   1.394
  101    HD1  PHE  10           HD2      PHE  13  16.440  17.577   0.531
  102    HD2  PHE  10           HD1      PHE  13  15.399  15.200   3.975
  103    HE1  PHE  10           HE2      PHE  13  18.639  16.467   0.438
  104    HE2  PHE  10           HE1      PHE  13  17.577  14.029   3.822
  105    HZ   PHE  10           HZ       PHE  13  19.123  14.559   1.982
  106    H    GLU  11           H        GLU  14  14.644  19.755   0.882
  107    HA   GLU  11           HA       GLU  14  17.416  20.328   0.700
  108   1HB   GLU  11          1HB       GLU  14  14.992  21.686  -0.540
  109   2HB   GLU  11          2HB       GLU  14  16.663  22.119  -0.930
  110   1HG   GLU  11          1HG       GLU  14  17.148  19.851  -1.694
  111   2HG   GLU  11          2HG       GLU  14  15.522  19.312  -1.263
  112    H    LYS  12           H        LYS  15  14.708  22.373   1.902
  113    HA   LYS  12           HA       LYS  15  16.205  24.661   2.465
  114   1HB   LYS  12          1HB       LYS  15  13.716  24.491   2.521
  115   2HB   LYS  12          2HB       LYS  15  13.821  23.576   4.020
  116   1HG   LYS  12          1HG       LYS  15  13.242  25.896   4.465
  117   2HG   LYS  12          2HG       LYS  15  14.768  25.457   5.217
  118   1HD   LYS  12          1HD       LYS  15  14.820  27.721   4.225
  119   2HD   LYS  12          2HD       LYS  15  16.053  26.667   3.549
  120   1HE   LYS  12          1HE       LYS  15  14.956  28.057   1.817
  121   2HE   LYS  12          2HE       LYS  15  14.705  26.339   1.500
  122   1HZ   LYS  12          2HZ       LYS  15  12.769  28.141   2.783
  123   2HZ   LYS  12          3HZ       LYS  15  12.708  27.608   1.224
  124   3HZ   LYS  12          1HZ       LYS  15  12.530  26.540   2.465
  125    OH   TYR  13           OH       TYR  16  12.430  21.364  10.391
  126    H    TYR  13           H        TYR  16  15.768  21.738   4.486
  127    HA   TYR  13           HA       TYR  16  17.289  22.815   6.743
  128   1HB   TYR  13          1HB       TYR  16  16.373  20.049   5.905
  129   2HB   TYR  13          2HB       TYR  16  17.515  20.310   7.239
  130    HD1  TYR  13           HD2      TYR  16  14.434  22.315   6.432
  131    HD2  TYR  13           HD1      TYR  16  16.248  19.412   9.134
  132    HE1  TYR  13           HE2      TYR  16  12.591  22.550   8.014
  133    HE2  TYR  13           HE1      TYR  16  14.609  19.848  10.707
  134    HH   TYR  13           HH       TYR  16  11.644  21.727   9.964
  135    H    ALA  14           H        ALA  17  17.977  20.367   4.230
  136    HA   ALA  14           HA       ALA  17  20.593  19.767   4.834
  137   1HB   ALA  14          1HB       ALA  17  19.180  18.513   3.220
  138   2HB   ALA  14          2HB       ALA  17  19.220  19.888   2.098
  139   3HB   ALA  14          3HB       ALA  17  20.686  18.965   2.435
  140    H    ALA  15           H        ALA  18  19.400  22.574   3.019
  141    HA   ALA  15           HA       ALA  18  21.857  23.471   1.944
  142   1HB   ALA  15          1HB       ALA  18  19.662  24.401   1.337
  143   2HB   ALA  15          2HB       ALA  18  19.492  25.094   2.967
  144   3HB   ALA  15          3HB       ALA  18  20.767  25.681   1.876
  145    H    LYS  16           H        LYS  19  20.796  23.461   5.304
  146    HA   LYS  16           HA       LYS  19  22.586  25.591   6.147
  147   1HB   LYS  16          1HB       LYS  19  21.003  23.578   7.784
  148   2HB   LYS  16          2HB       LYS  19  21.866  25.008   8.381
  149   1HG   LYS  16          1HG       LYS  19  20.375  26.498   7.199
  150   2HG   LYS  16          2HG       LYS  19  19.622  25.161   6.321
  151   1HD   LYS  16          1HD       LYS  19  18.172  25.954   8.082
  152   2HD   LYS  16          2HD       LYS  19  18.609  24.264   8.324
  153   1HE   LYS  16          1HE       LYS  19  20.135  26.494   9.740
  154   2HE   LYS  16          2HE       LYS  19  18.587  25.906  10.365
  155   1HZ   LYS  16          1HZ       LYS  19  19.477  23.722  10.495
  156   2HZ   LYS  16          2HZ       LYS  19  20.938  24.218   9.923
  157   3HZ   LYS  16          3HZ       LYS  19  20.393  24.774  11.372
  158    H    GLU  17           H        GLU  20  22.474  22.119   7.254
  159    HA   GLU  17           HA       GLU  20  25.461  22.240   7.451
  160   1HB   GLU  17          1HB       GLU  20  23.735  20.388   9.072
  161   2HB   GLU  17          2HB       GLU  20  25.401  20.875   9.332
  162   1HG   GLU  17          1HG       GLU  20  22.925  22.618   9.697
  163   2HG   GLU  17          2HG       GLU  20  23.966  21.965  10.964
  164    H    GLY  18           H        GLY  21  26.538  20.108   7.304
  165   1HA   GLY  18          1HA       GLY  21  26.959  18.101   6.263
  166   2HA   GLY  18          2HA       GLY  21  25.243  17.942   5.861
  167    H    ASP  19           H        ASP  22  24.440  19.394   4.106
  168    HA   ASP  19           HA       ASP  22  25.774  20.877   2.242
  169   1HB   ASP  19          1HB       ASP  22  27.328  19.127   1.638
  170   2HB   ASP  19          2HB       ASP  22  26.076  17.884   1.699
  171    HA   PRO  20           HA       PRO  23  21.483  21.168   1.042
  172   1HB   PRO  20          1HB       PRO  23  21.663  21.308  -1.775
  173   2HB   PRO  20          2HB       PRO  23  21.710  22.645  -0.597
  174   1HG   PRO  20          1HG       PRO  23  24.033  21.152  -1.830
  175   2HG   PRO  20          2HG       PRO  23  23.859  22.917  -1.583
  176   1HD   PRO  20          1HD       PRO  23  25.343  21.544   0.122
  177   2HD   PRO  20          2HD       PRO  23  24.148  22.665   0.799
  178    H    ASN  21           H        ASN  24  23.295  18.443  -0.241
  179    HA   ASN  21           HA       ASN  24  20.815  17.113  -1.132
  180   1HB   ASN  21          1HB       ASN  24  22.692  16.813  -2.608
  181   2HB   ASN  21          2HB       ASN  24  23.783  16.486  -1.262
  182   1HD2  ASN  21          1HD2      ASN  24  21.510  13.350  -2.629
  183   2HD2  ASN  21          2HD2      ASN  24  20.984  14.991  -3.002
  184    H    GLN  22           H        GLN  25  22.292  17.445   1.940
  185    HA   GLN  22           HA       GLN  25  21.053  14.864   2.773
  186   1HB   GLN  22          1HB       GLN  25  23.168  15.510   4.575
  187   2HB   GLN  22          2HB       GLN  25  23.033  14.073   3.551
  188   1HG   GLN  22          1HG       GLN  25  24.188  15.236   1.686
  189   2HG   GLN  22          2HG       GLN  25  24.287  16.710   2.678
  190   1HE2  GLN  22          1HE2      GLN  25  27.104  13.877   3.172
  191   2HE2  GLN  22          2HE2      GLN  25  25.859  13.720   1.931
  192    H    LEU  23           H        LEU  26  20.415  14.583   4.852
  193    HA   LEU  23           HA       LEU  26  20.547  17.002   6.479
  194   1HB   LEU  23          1HB       LEU  26  18.736  14.500   6.500
  195   2HB   LEU  23          2HB       LEU  26  18.847  15.499   7.950
  196    HG   LEU  23           HG       LEU  26  17.902  16.709   5.367
  197   1HD1  LEU  23          1HD1      LEU  26  16.490  14.650   6.000
  198   2HD1  LEU  23          2HD1      LEU  26  16.132  15.473   7.528
  199   3HD1  LEU  23          3HD1      LEU  26  15.627  16.200   5.998
  200   1HD2  LEU  23          1HD2      LEU  26  17.503  17.334   8.310
  201   2HD2  LEU  23          2HD2      LEU  26  18.486  18.256   7.133
  202   3HD2  LEU  23          3HD2      LEU  26  16.707  18.158   6.970
  203    H    SER  24           H        SER  27  21.965  17.034   8.118
  204    HA   SER  24           HA       SER  27  23.326  14.583   8.889
  205   1HB   SER  24          1HB       SER  27  23.212  17.325  10.238
  206   2HB   SER  24          2HB       SER  27  24.357  16.025  10.625
  207    HG   SER  24           HG       SER  27  25.188  16.162   8.562
  208    H    LYS  25           H        LYS  28  23.087  13.544  11.007
  209    HA   LYS  25           HA       LYS  28  20.554  12.731  11.703
  210   1HB   LYS  25          1HB       LYS  28  23.016  13.012  13.461
  211   2HB   LYS  25          2HB       LYS  28  21.578  12.074  13.893
  212   1HG   LYS  25          1HG       LYS  28  21.937  10.474  12.171
  213   2HG   LYS  25          2HG       LYS  28  23.053  11.505  11.285
  214   1HD   LYS  25          1HD       LYS  28  24.349   9.801  12.343
  215   2HD   LYS  25          2HD       LYS  28  24.714  11.334  13.141
  216   1HE   LYS  25          1HE       LYS  28  23.126  10.709  14.993
  217   2HE   LYS  25          2HE       LYS  28  22.836   9.162  14.169
  218   1HZ   LYS  25          2HZ       LYS  28  25.448  10.093  15.124
  219   2HZ   LYS  25          3HZ       LYS  28  24.474   9.014  15.906
  220   3HZ   LYS  25          1HZ       LYS  28  25.115   8.628  14.439
  221    H    GLU  26           H        GLU  29  22.376  15.388  13.144
  222    HA   GLU  26           HA       GLU  29  20.607  16.254  15.134
  223   1HB   GLU  26          1HB       GLU  29  22.324  18.147  13.479
  224   2HB   GLU  26          2HB       GLU  29  21.790  18.298  15.149
  225   1HG   GLU  26          1HG       GLU  29  23.951  17.641  15.509
  226   2HG   GLU  26          2HG       GLU  29  23.203  16.043  15.476
  227    H    GLU  27           H        GLU  30  20.685  17.091  11.648
  228    HA   GLU  27           HA       GLU  30  18.558  19.070  11.848
  229   1HB   GLU  27          1HB       GLU  30  19.726  17.648   9.426
  230   2HB   GLU  27          2HB       GLU  30  18.657  19.061   9.416
  231   1HG   GLU  27          1HG       GLU  30  20.329  20.432  10.529
  232   2HG   GLU  27          2HG       GLU  30  21.435  19.055  10.656
  233    H    LEU  28           H        LEU  31  18.884  15.645  10.812
  234    HA   LEU  28           HA       LEU  31  16.265  15.256   9.951
  235   1HB   LEU  28          1HB       LEU  31  18.565  13.594  10.710
  236   2HB   LEU  28          2HB       LEU  31  17.081  12.828  11.273
  237    HG   LEU  28           HG       LEU  31  17.474  13.863   8.473
  238   1HD1  LEU  28          1HD1      LEU  31  19.093  12.092   8.939
  239   2HD1  LEU  28          2HD1      LEU  31  17.787  11.027   9.508
  240   3HD1  LEU  28          3HD1      LEU  31  17.844  11.528   7.807
  241   1HD2  LEU  28          2HD2      LEU  31  15.064  13.573   9.162
  242   2HD2  LEU  28          3HD2      LEU  31  15.553  12.399   7.937
  243   3HD2  LEU  28          1HD2      LEU  31  15.430  11.905   9.637
  244    H    LYS  29           H        LYS  32  17.532  14.547  13.290
  245    HA   LYS  29           HA       LYS  32  14.994  13.856  14.269
  246   1HB   LYS  29          1HB       LYS  32  16.044  13.236  15.984
  247   2HB   LYS  29          2HB       LYS  32  17.467  14.135  15.453
  248   1HG   LYS  29          1HG       LYS  32  15.172  15.557  16.927
  249   2HG   LYS  29          2HG       LYS  32  16.454  14.700  17.814
  250   1HD   LYS  29          1HD       LYS  32  17.359  16.279  15.527
  251   2HD   LYS  29          2HD       LYS  32  16.551  17.264  16.770
  252   1HE   LYS  29          1HE       LYS  32  19.014  17.210  17.133
  253   2HE   LYS  29          2HE       LYS  32  18.132  16.491  18.490
  254   1HZ   LYS  29          2HZ       LYS  32  19.410  14.988  16.312
  255   2HZ   LYS  29          3HZ       LYS  32  20.022  15.182  17.831
  256   3HZ   LYS  29          1HZ       LYS  32  18.627  14.337  17.603
  257    H    GLN  30           H        GLN  33  16.385  17.023  14.016
  258    HA   GLN  30           HA       GLN  33  14.269  18.331  15.304
  259   1HB   GLN  30          1HB       GLN  33  16.152  19.337  13.106
  260   2HB   GLN  30          2HB       GLN  33  14.911  20.377  13.810
  261   1HG   GLN  30          1HG       GLN  33  15.856  20.173  16.021
  262   2HG   GLN  30          2HG       GLN  33  17.026  18.967  15.465
  263   1HE2  GLN  30          1HE2      GLN  33  19.277  21.266  14.011
  264   2HE2  GLN  30          2HE2      GLN  33  18.765  19.576  14.125
  265    H    LEU  31           H        LEU  34  14.766  17.830  11.697
  266    HA   LEU  31           HA       LEU  34  12.383  18.721  10.766
  267   1HB   LEU  31          1HB       LEU  34  14.235  17.711   9.372
  268   2HB   LEU  31          2HB       LEU  34  13.742  16.127   9.923
  269    HG   LEU  31           HG       LEU  34  11.577  16.294   8.852
  270   1HD1  LEU  31          2HD1      LEU  34  12.512  19.060   7.989
  271   2HD1  LEU  31          3HD1      LEU  34  11.138  18.194   7.272
  272   3HD1  LEU  31          1HD1      LEU  34  11.071  18.687   8.965
  273   1HD2  LEU  31          2HD2      LEU  34  13.526  15.460   7.565
  274   2HD2  LEU  31          3HD2      LEU  34  12.346  16.276   6.519
  275   3HD2  LEU  31          1HD2      LEU  34  13.830  17.121   6.992
  276    H    ILE  32           H        ILE  35  12.900  15.535  11.865
  277    HA   ILE  32           HA       ILE  35  10.220  14.590  11.577
  278    HB   ILE  32           HB       ILE  35  12.258  13.531  13.557
  279   1HG1  ILE  32          1HG1      ILE  35  13.311  13.324  11.436
  280   2HG1  ILE  32          2HG1      ILE  35  12.658  11.757  11.846
  281   1HG2  ILE  32          2HG2      ILE  35   9.732  12.277  12.401
  282   2HG2  ILE  32          3HG2      ILE  35  10.952  11.413  13.355
  283   3HG2  ILE  32          1HG2      ILE  35  10.024  12.716  14.091
  284   1HD1  ILE  32          1HD1      ILE  35  10.744  12.166  10.306
  285   2HD1  ILE  32          2HD1      ILE  35  11.467  13.741   9.872
  286   3HD1  ILE  32          3HD1      ILE  35  12.321  12.245   9.495
  287    H    GLN  33           H        GLN  36  11.736  15.402  14.538
  288    HA   GLN  33           HA       GLN  36   9.376  15.277  16.144
  289   1HB   GLN  33          1HB       GLN  36  11.905  16.898  16.625
  290   2HB   GLN  33          2HB       GLN  36  10.666  16.575  17.843
  291   1HG   GLN  33          1HG       GLN  36  12.299  14.391  16.450
  292   2HG   GLN  33          2HG       GLN  36  12.658  15.096  18.023
  293   1HE2  GLN  33          1HE2      GLN  36   9.534  12.442  17.675
  294   2HE2  GLN  33          2HE2      GLN  36  10.196  13.192  16.230
  295    H    ALA  34           H        ALA  37  10.757  18.093  14.460
  296    HA   ALA  34           HA       ALA  37   8.841  19.918  15.621
  297   1HB   ALA  34          1HB       ALA  37  11.096  20.613  14.921
  298   2HB   ALA  34          2HB       ALA  37  10.676  20.280  13.225
  299   3HB   ALA  34          3HB       ALA  37   9.825  21.554  14.117
  300    H    GLU  35           H        GLU  38   9.159  18.469  12.294
  301    HA   GLU  35           HA       GLU  38   6.543  19.744  11.637
  302   1HB   GLU  35          1HB       GLU  38   8.702  18.650   9.825
  303   2HB   GLU  35          2HB       GLU  38   7.177  19.418   9.333
  304   1HG   GLU  35          1HG       GLU  38   7.845  21.466  10.667
  305   2HG   GLU  35          2HG       GLU  38   9.424  20.714  10.948
  306    H    PHE  36           H        PHE  39   7.790  16.444  12.163
  307    HA   PHE  36           HA       PHE  39   5.067  15.515  11.754
  308   1HB   PHE  36          1HB       PHE  39   5.624  13.873   9.964
  309   2HB   PHE  36          2HB       PHE  39   5.417  15.531   9.504
  310    HD1  PHE  36           HD1      PHE  39   7.302  16.908   8.678
  311    HD2  PHE  36           HD2      PHE  39   7.791  12.743   9.671
  312    HE1  PHE  36           HE1      PHE  39   9.251  16.779   7.172
  313    HE2  PHE  36           HE2      PHE  39   9.717  12.608   8.121
  314    HZ   PHE  36           HZ       PHE  39  10.468  14.625   6.886
  315    HA   PRO  37           HA       PRO  40   7.587  13.014  14.673
  316   1HB   PRO  37          1HB       PRO  40   5.840  13.112  16.834
  317   2HB   PRO  37          2HB       PRO  40   7.134  14.304  16.527
  318   1HG   PRO  37          1HG       PRO  40   4.221  14.514  15.729
  319   2HG   PRO  37          2HG       PRO  40   5.224  15.741  16.560
  320   1HD   PRO  37          1HD       PRO  40   4.832  15.885  13.906
  321   2HD   PRO  37          2HD       PRO  40   6.466  16.185  14.564
  322    H    SER  38           H        SER  41   4.553  13.008  13.320
  323    HA   SER  38           HA       SER  41   2.864  11.559  12.899
  324   1HB   SER  38          1HB       SER  41   5.235   9.896  11.996
  325   2HB   SER  38          2HB       SER  41   3.631  10.005  11.247
  326    HG   SER  38           HG       SER  41   5.686  11.969  11.392
  327    H    LEU  39           H        LEU  42   3.449  11.191  15.627
  328    HA   LEU  39           HA       LEU  42   3.431   9.705  17.375
  329   1HB   LEU  39          1HB       LEU  42   1.348   8.383  15.592
  330   2HB   LEU  39          2HB       LEU  42   1.476   8.224  17.349
  331    HG   LEU  39           HG       LEU  42   0.815  10.790  15.829
  332   1HD1  LEU  39          1HD1      LEU  42  -0.989   9.106  15.817
  333   2HD1  LEU  39          2HD1      LEU  42  -0.894   8.982  17.587
  334   3HD1  LEU  39          3HD1      LEU  42  -1.414  10.500  16.827
  335   1HD2  LEU  39          1HD2      LEU  42   1.010  10.240  18.828
  336   2HD2  LEU  39          2HD2      LEU  42   2.003  11.381  17.891
  337   3HD2  LEU  39          3HD2      LEU  42   0.280  11.690  18.109
  338    H    LEU  40           H        LEU  43   5.631   9.168  15.883
  339    HA   LEU  40           HA       LEU  43   5.848   6.401  15.101
  340   1HB   LEU  40          1HB       LEU  43   7.900   8.523  15.810
  341   2HB   LEU  40          2HB       LEU  43   8.339   6.921  15.207
  342    HG   LEU  40           HG       LEU  43   6.499   8.766  13.644
  343   1HD1  LEU  40          1HD1      LEU  43   8.635   9.930  14.023
  344   2HD1  LEU  40          2HD1      LEU  43   9.529   8.507  13.439
  345   3HD1  LEU  40          3HD1      LEU  43   8.481   9.423  12.333
  346   1HD2  LEU  40          1HD2      LEU  43   8.209   6.372  12.835
  347   2HD2  LEU  40          2HD2      LEU  43   6.434   6.403  12.939
  348   3HD2  LEU  40          3HD2      LEU  43   7.262   7.388  11.730
  349    H    LYS  41           H        LYS  44   4.689   5.623  17.062
  350    HA   LYS  41           HA       LYS  44   6.349   5.304  19.489
  351   1HB   LYS  41          1HB       LYS  44   4.382   4.253  20.452
  352   2HB   LYS  41          2HB       LYS  44   3.996   5.822  19.747
  353   1HG   LYS  41          1HG       LYS  44   3.018   4.705  17.749
  354   2HG   LYS  41          2HG       LYS  44   3.416   3.120  18.442
  355   1HD   LYS  41          1HD       LYS  44   1.983   3.640  20.408
  356   2HD   LYS  41          2HD       LYS  44   1.615   5.232  19.714
  357   1HE   LYS  41          1HE       LYS  44   0.581   4.137  17.735
  358   2HE   LYS  41          2HE       LYS  44   0.948   2.543  18.421
  359   1HZ   LYS  41          2HZ       LYS  44  -0.802   4.568  19.630
  360   2HZ   LYS  41          3HZ       LYS  44  -1.292   3.201  18.852
  361   3HZ   LYS  41          1HZ       LYS  44  -0.463   3.087  20.270
  362    H    GLY  42           H        GLY  45   5.947   2.787  20.355
  363   1HA   GLY  42          1HA       GLY  45   6.728   0.645  20.159
  364   2HA   GLY  42          2HA       GLY  45   6.168   0.669  18.484
  365    HA   PRO  43           HA       PRO  46  10.724   0.694  17.836
  366   1HB   PRO  43          1HB       PRO  46  10.844   0.406  15.149
  367   2HB   PRO  43          2HB       PRO  46  10.254  -0.912  16.195
  368   1HG   PRO  43          1HG       PRO  46   8.571   1.124  14.701
  369   2HG   PRO  43          2HG       PRO  46   8.406  -0.655  14.673
  370   1HD   PRO  43          1HD       PRO  46   6.909   0.922  16.318
  371   2HD   PRO  43          2HD       PRO  46   7.478  -0.684  16.852
  372    NH1  ARG  44           NH1      ARG  47   8.807   5.004  22.300
  373    NH2  ARG  44           NH2      ARG  47   6.709   5.957  22.102
  374    H    ARG  44           H        ARG  47  10.157   2.917  18.705
  375    HA   ARG  44           HA       ARG  47   9.701   5.244  17.201
  376   1HB   ARG  44          1HB       ARG  47   9.327   4.940  19.570
  377   2HB   ARG  44          2HB       ARG  47  11.068   4.826  19.885
  378   1HG   ARG  44          1HG       ARG  47  11.393   7.153  19.261
  379   2HG   ARG  44          2HG       ARG  47   9.732   7.295  18.674
  380   1HD   ARG  44          1HD       ARG  47  10.589   6.780  21.559
  381   2HD   ARG  44          2HD       ARG  47  10.081   8.318  20.884
  382    HE   ARG  44           HE       ARG  47   7.867   7.626  20.664
  383   1HH1  ARG  44          1HH1      ARG  47   9.782   4.990  22.043
  384   2HH1  ARG  44          2HH1      ARG  47   8.438   4.262  22.875
  385   1HH2  ARG  44          1HH2      ARG  47   6.117   6.695  21.749
  386   2HH2  ARG  44          2HH2      ARG  47   6.313   5.242  22.692
  387    H    THR  45           H        THR  48  11.182   4.550  15.367
  388    HA   THR  45           HA       THR  48  13.986   4.925  15.732
  389    HB   THR  45           HB       THR  48  12.346   4.716  13.169
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  15.263   4.529  13.999
  391   2HG2  THR  45          3HG2      THR  48  14.635   3.824  12.489
  392   3HG2  THR  45          1HG2      THR  48  14.612   5.595  12.774
  393    H    LEU  46           H        LEU  49  13.902   7.009  16.709
  394    HA   LEU  46           HA       LEU  49  13.502   9.287  14.820
  395   1HB   LEU  46          1HB       LEU  49  14.412   9.101  17.692
  396   2HB   LEU  46          2HB       LEU  49  14.167  10.630  16.819
  397    HG   LEU  46           HG       LEU  49  11.988   8.560  17.412
  398   1HD1  LEU  46          1HD1      LEU  49  12.718   9.825  19.392
  399   2HD1  LEU  46          2HD1      LEU  49  12.457  11.354  18.525
  400   3HD1  LEU  46          3HD1      LEU  49  11.081  10.295  18.903
  401   1HD2  LEU  46          1HD2      LEU  49  11.843  11.226  15.948
  402   2HD2  LEU  46          2HD2      LEU  49  11.397   9.623  15.315
  403   3HD2  LEU  46          3HD2      LEU  49  10.429  10.357  16.587
  404    H    ASP  47           H        ASP  50  15.829   6.999  15.457
  405    HA   ASP  47           HA       ASP  50  17.558   8.308  13.665
  406   1HB   ASP  47          1HB       ASP  50  18.211   9.552  15.812
  407   2HB   ASP  47          2HB       ASP  50  18.660   7.991  16.514
  408    H    ASP  48           H        ASP  51  16.997   5.374  15.502
  409    HA   ASP  48           HA       ASP  51  19.335   3.992  14.982
  410   1HB   ASP  48          1HB       ASP  51  17.509   3.034  16.283
  411   2HB   ASP  48          2HB       ASP  51  16.481   2.905  14.852
  412    H    LEU  49           H        LEU  52  16.555   3.919  12.665
  413    HA   LEU  49           HA       LEU  52  18.261   2.675  10.691
  414   1HB   LEU  49          1HB       LEU  52  16.505   2.499   9.260
  415   2HB   LEU  49          2HB       LEU  52  15.808   2.327  10.858
  416    HG   LEU  49           HG       LEU  52  15.201   4.898  10.562
  417   1HD1  LEU  49          2HD1      LEU  52  15.498   3.972   7.664
  418   2HD1  LEU  49          3HD1      LEU  52  14.686   5.457   8.194
  419   3HD1  LEU  49          1HD1      LEU  52  16.423   5.276   8.422
  420   1HD2  LEU  49          2HD2      LEU  52  13.553   3.014  10.686
  421   2HD2  LEU  49          3HD2      LEU  52  13.072   4.229   9.496
  422   3HD2  LEU  49          1HD2      LEU  52  13.806   2.703   8.963
  423    H    PHE  50           H        PHE  53  17.487   6.001  11.521
  424    HA   PHE  50           HA       PHE  53  18.288   7.305   9.135
  425   1HB   PHE  50          1HB       PHE  53  18.713   8.201  11.984
  426   2HB   PHE  50          2HB       PHE  53  18.764   9.241  10.659
  427    HD1  PHE  50           HD1      PHE  53  15.971   7.062   9.981
  428    HD2  PHE  50           HD2      PHE  53  17.204  10.534  12.226
  429    HE1  PHE  50           HE1      PHE  53  13.647   7.423  10.708
  430    HE2  PHE  50           HE2      PHE  53  14.841  11.060  12.668
  431    HZ   PHE  50           HZ       PHE  53  13.064   9.419  12.047
  432    H    GLN  51           H        GLN  54  20.137   6.150  11.976
  433    HA   GLN  51           HA       GLN  54  22.673   7.053  11.129
  434   1HB   GLN  51          1HB       GLN  54  22.225   6.364  13.426
  435   2HB   GLN  51          2HB       GLN  54  21.865   4.714  12.919
  436   1HG   GLN  51          1HG       GLN  54  24.083   4.856  13.909
  437   2HG   GLN  51          2HG       GLN  54  24.217   4.381  12.218
  438   1HE2  GLN  51          1HE2      GLN  54  25.866   7.442  11.244
  439   2HE2  GLN  51          2HE2      GLN  54  24.852   6.131  10.629
  440    H    GLU  52           H        GLU  55  20.866   4.020  10.492
  441    HA   GLU  52           HA       GLU  55  22.933   2.701   9.034
  442   1HB   GLU  52          1HB       GLU  55  20.778   1.685   9.931
  443   2HB   GLU  52          2HB       GLU  55  19.939   2.409   8.545
  444   1HG   GLU  52          1HG       GLU  55  21.482   1.169   7.008
  445   2HG   GLU  52          2HG       GLU  55  22.220   0.395   8.420
  446    H    LEU  53           H        LEU  56  20.369   4.977   8.075
  447    HA   LEU  53           HA       LEU  56  21.088   5.092   5.240
  448   1HB   LEU  53          1HB       LEU  56  19.358   6.855   7.004
  449   2HB   LEU  53          2HB       LEU  56  19.478   6.997   5.264
  450    HG   LEU  53           HG       LEU  56  18.302   4.633   6.749
  451   1HD1  LEU  53          1HD1      LEU  56  16.960   6.752   6.689
  452   2HD1  LEU  53          2HD1      LEU  56  17.074   6.750   4.924
  453   3HD1  LEU  53          3HD1      LEU  56  16.206   5.445   5.755
  454   1HD2  LEU  53          1HD2      LEU  56  18.631   5.088   3.753
  455   2HD2  LEU  53          2HD2      LEU  56  19.355   3.777   4.717
  456   3HD2  LEU  53          3HD2      LEU  56  17.608   3.845   4.497
  457    H    ASP  54           H        ASP  57  23.150   5.929   7.562
  458    HA   ASP  54           HA       ASP  57  23.684   8.674   6.640
  459   1HB   ASP  54          1HB       ASP  57  23.763   7.968   9.044
  460   2HB   ASP  54          2HB       ASP  57  25.164   6.956   8.639
  461    H    LYS  55           H        LYS  58  24.395   8.682   4.651
  462    HA   LYS  55           HA       LYS  58  25.829   7.222   3.038
  463   1HB   LYS  55          1HB       LYS  58  25.148   9.600   2.713
  464   2HB   LYS  55          2HB       LYS  58  26.573  10.113   3.612
  465   1HG   LYS  55          1HG       LYS  58  28.017   9.027   1.887
  466   2HG   LYS  55          2HG       LYS  58  26.561   8.510   1.014
  467   1HD   LYS  55          1HD       LYS  58  25.905  10.888   0.722
  468   2HD   LYS  55          2HD       LYS  58  27.348  11.401   1.629
  469   1HE   LYS  55          1HE       LYS  58  28.802  10.370  -0.093
  470   2HE   LYS  55          2HE       LYS  58  27.370   9.822  -0.989
  471   1HZ   LYS  55          2HZ       LYS  58  28.080  12.619  -0.445
  472   2HZ   LYS  55          3HZ       LYS  58  28.261  11.834  -1.882
  473   3HZ   LYS  55          1HZ       LYS  58  26.753  12.108  -1.279
  474    H    ASN  56           H        ASN  59  27.660   9.005   5.661
  475    HA   ASN  56           HA       ASN  59  29.880   7.014   5.244
  476   1HB   ASN  56          1HB       ASN  59  30.247   9.974   5.833
  477   2HB   ASN  56          2HB       ASN  59  31.505   8.753   5.741
  478   1HD2  ASN  56          1HD2      ASN  59  30.530   8.583   1.987
  479   2HD2  ASN  56          2HD2      ASN  59  29.868   7.550   3.243
  480    H    GLY  57           H        GLY  60  27.684   6.802   7.067
  481   1HA   GLY  57          1HA       GLY  60  27.235   6.417   9.289
  482   2HA   GLY  57          2HA       GLY  60  28.831   5.679   9.235
  483    H    ASP  58           H        ASP  61  27.915   9.170   9.127
  484    HA   ASP  58           HA       ASP  61  29.237   9.554  11.770
  485   1HB   ASP  58          1HB       ASP  61  30.454  11.507  10.886
  486   2HB   ASP  58          2HB       ASP  61  30.987   9.946  10.255
  487    H    GLY  59           H        GLY  62  27.765  11.766   9.340
  488   1HA   GLY  59          1HA       GLY  62  25.500  12.356  11.085
  489   2HA   GLY  59          2HA       GLY  62  26.736  13.630  11.084
  490    H    GLU  60           H        GLU  63  25.041  11.458   8.795
  491    HA   GLU  60           HA       GLU  63  24.255  13.686   7.001
  492   1HB   GLU  60          1HB       GLU  63  25.758  11.186   6.108
  493   2HB   GLU  60          2HB       GLU  63  25.203  12.499   5.067
  494   1HG   GLU  60          1HG       GLU  63  26.851  14.041   6.074
  495   2HG   GLU  60          2HG       GLU  63  27.418  12.762   7.150
  496    H    VAL  61           H        VAL  64  22.752  12.845   5.434
  497    HA   VAL  61           HA       VAL  64  21.966  10.186   5.042
  498    HB   VAL  61           HB       VAL  64  19.871  11.903   6.480
  499   1HG1  VAL  61          2HG1      VAL  64  19.633   9.244   5.019
  500   2HG1  VAL  61          3HG1      VAL  64  18.346   9.950   6.015
  501   3HG1  VAL  61          1HG1      VAL  64  18.877  10.774   4.552
  502   1HG2  VAL  61          1HG2      VAL  64  21.192   9.286   7.284
  503   2HG2  VAL  61          2HG2      VAL  64  20.997  10.777   8.242
  504   3HG2  VAL  61          3HG2      VAL  64  19.610   9.754   7.905
  505    H    SER  62           H        SER  65  22.317  10.525   2.979
  506    HA   SER  62           HA       SER  65  21.787  13.049   1.707
  507   1HB   SER  62          1HB       SER  65  22.602  11.962  -0.282
  508   2HB   SER  62          2HB       SER  65  23.608  11.574   1.138
  509    HG   SER  62           HG       SER  65  22.617   9.566   1.240
  510    H    PHE  63           H        PHE  66  20.222  13.431  -0.050
  511    HA   PHE  63           HA       PHE  66  17.605  12.855   0.569
  512   1HB   PHE  63          1HB       PHE  66  18.218  14.585  -1.044
  513   2HB   PHE  63          2HB       PHE  66  18.732  13.366  -2.204
  514    HD1  PHE  63           HD1      PHE  66  15.749  14.392  -0.150
  515    HD2  PHE  63           HD2      PHE  66  17.143  12.428  -3.731
  516    HE1  PHE  63           HE1      PHE  66  13.423  13.727  -0.706
  517    HE2  PHE  63           HE2      PHE  66  14.814  11.832  -4.309
  518    HZ   PHE  63           HZ       PHE  66  12.952  12.464  -2.793
  519    H    GLU  64           H        GLU  67  19.571  11.135  -1.846
  520    HA   GLU  64           HA       GLU  67  17.710   9.287  -2.713
  521   1HB   GLU  64          1HB       GLU  67  19.671   7.850  -3.277
  522   2HB   GLU  64          2HB       GLU  67  19.694   9.479  -3.944
  523   1HG   GLU  64          1HG       GLU  67  21.161   8.962  -1.355
  524   2HG   GLU  64          2HG       GLU  67  21.837   8.358  -2.856
  525    H    GLU  65           H        GLU  68  19.628   9.191   0.283
  526    HA   GLU  65           HA       GLU  68  18.753   6.501   1.015
  527   1HB   GLU  65          1HB       GLU  68  20.213   8.684   2.599
  528   2HB   GLU  65          2HB       GLU  68  19.910   7.043   3.149
  529   1HG   GLU  65          1HG       GLU  68  21.264   6.082   1.423
  530   2HG   GLU  65          2HG       GLU  68  21.491   7.643   0.632
  531    H    PHE  66           H        PHE  69  18.087   9.841   2.052
  532    HA   PHE  66           HA       PHE  69  16.223   9.546   4.050
  533   1HB   PHE  66          1HB       PHE  69  17.160  11.697   3.311
  534   2HB   PHE  66          2HB       PHE  69  16.257  11.582   1.812
  535    HD1  PHE  66           HD1      PHE  69  15.498  11.474   5.512
  536    HD2  PHE  66           HD2      PHE  69  14.428  12.964   1.607
  537    HE1  PHE  66           HE1      PHE  69  13.662  12.820   6.514
  538    HE2  PHE  66           HE2      PHE  69  12.643  14.343   2.622
  539    HZ   PHE  66           HZ       PHE  69  12.249  14.266   5.071
  540    H    GLN  67           H        GLN  70  15.617   9.256   0.551
  541    HA   GLN  67           HA       GLN  70  12.868   9.163   0.352
  542   1HB   GLN  67          1HB       GLN  70  14.892   7.237  -0.839
  543   2HB   GLN  67          2HB       GLN  70  13.196   7.316  -1.336
  544   1HG   GLN  67          1HG       GLN  70  13.433   9.647  -2.035
  545   2HG   GLN  67          2HG       GLN  70  15.126   9.664  -1.550
  546   1HE2  GLN  67          1HE2      GLN  70  16.040   7.288  -4.237
  547   2HE2  GLN  67          2HE2      GLN  70  16.259   7.384  -2.493
  548    H    VAL  68           H        VAL  71  14.958   6.532   1.633
  549    HA   VAL  68           HA       VAL  71  12.935   4.567   1.941
  550    HB   VAL  68           HB       VAL  71  15.529   5.007   3.483
  551   1HG1  VAL  68          2HG1      VAL  71  13.733   2.552   3.311
  552   2HG1  VAL  68          3HG1      VAL  71  15.390   2.548   3.949
  553   3HG1  VAL  68          1HG1      VAL  71  14.140   3.482   4.772
  554   1HG2  VAL  68          1HG2      VAL  71  14.885   3.252   1.070
  555   2HG2  VAL  68          2HG2      VAL  71  15.885   4.719   1.042
  556   3HG2  VAL  68          3HG2      VAL  71  16.436   3.299   1.932
  557    H    LEU  69           H        LEU  72  13.892   7.267   4.051
  558    HA   LEU  69           HA       LEU  72  12.245   6.440   6.298
  559   1HB   LEU  69          1HB       LEU  72  14.252   7.843   6.473
  560   2HB   LEU  69          2HB       LEU  72  13.500   9.141   5.555
  561    HG   LEU  69           HG       LEU  72  12.414   8.124   8.180
  562   1HD1  LEU  69          1HD1      LEU  72  14.745   9.043   8.391
  563   2HD1  LEU  69          2HD1      LEU  72  14.222  10.509   7.553
  564   3HD1  LEU  69          3HD1      LEU  72  13.564  10.127   9.154
  565   1HD2  LEU  69          1HD2      LEU  72  11.873  10.660   6.564
  566   2HD2  LEU  69          2HD2      LEU  72  10.707   9.395   7.010
  567   3HD2  LEU  69          3HD2      LEU  72  11.377  10.433   8.253
  568    H    VAL  70           H        VAL  73  12.107   9.010   3.893
  569    HA   VAL  70           HA       VAL  73   9.634  10.127   4.288
  570    HB   VAL  70           HB       VAL  73  11.047   9.552   1.648
  571   1HG1  VAL  70          2HG1      VAL  73   8.624  11.322   2.125
  572   2HG1  VAL  70          3HG1      VAL  73   9.668  11.422   0.693
  573   3HG1  VAL  70          1HG1      VAL  73   8.748   9.951   1.002
  574   1HG2  VAL  70          2HG2      VAL  73  12.216  11.034   3.284
  575   2HG2  VAL  70          3HG2      VAL  73  11.727  11.886   1.808
  576   3HG2  VAL  70          1HG2      VAL  73  10.793  12.092   3.308
  577    H    LYS  71           H        LYS  74  10.211   7.097   2.451
  578    HA   LYS  71           HA       LYS  74   7.694   6.655   1.409
  579   1HB   LYS  71          1HB       LYS  74   9.773   4.786   2.572
  580   2HB   LYS  71          2HB       LYS  74   8.255   4.134   1.954
  581   1HG   LYS  71          1HG       LYS  74  10.040   5.933   0.269
  582   2HG   LYS  71          2HG       LYS  74  10.230   4.176   0.350
  583   1HD   LYS  71          1HD       LYS  74   7.847   3.901  -0.386
  584   2HD   LYS  71          2HD       LYS  74   7.731   5.660  -0.577
  585   1HE   LYS  71          1HE       LYS  74   9.566   5.615  -2.239
  586   2HE   LYS  71          2HE       LYS  74   9.674   3.852  -2.068
  587   1HZ   LYS  71          1HZ       LYS  74   7.414   3.705  -2.830
  588   2HZ   LYS  71          2HZ       LYS  74   7.316   5.341  -2.993
  589   3HZ   LYS  71          3HZ       LYS  74   8.352   4.480  -3.941
  590    H    LYS  72           H        LYS  75   8.548   6.323   4.872
  591    HA   LYS  72           HA       LYS  75   5.953   5.089   5.500
  592   1HB   LYS  72          1HB       LYS  75   8.114   6.236   7.321
  593   2HB   LYS  72          2HB       LYS  75   6.661   5.372   7.819
  594   1HG   LYS  72          1HG       LYS  75   8.074   3.628   7.891
  595   2HG   LYS  72          2HG       LYS  75   7.570   3.463   6.203
  596   1HD   LYS  72          1HD       LYS  75   9.648   4.632   5.484
  597   2HD   LYS  72          2HD       LYS  75  10.085   4.916   7.177
  598   1HE   LYS  72          1HE       LYS  75  10.151   2.414   7.523
  599   2HE   LYS  72          2HE       LYS  75   9.814   2.211   5.791
  600   1HZ   LYS  72          1HZ       LYS  75  11.822   3.478   5.365
  601   2HZ   LYS  72          2HZ       LYS  75  12.154   3.526   6.976
  602   3HZ   LYS  72          3HZ       LYS  75  12.128   2.076   6.189
  603    H    ILE  73           H        ILE  76   7.172   8.314   5.103
  604    HA   ILE  73           HA       ILE  76   5.222   9.605   6.851
  605    HB   ILE  73           HB       ILE  76   6.972  10.924   4.745
  606   1HG1  ILE  73          1HG1      ILE  76   8.513   9.565   5.997
  607   2HG1  ILE  73          2HG1      ILE  76   8.705  11.264   6.416
  608   1HG2  ILE  73          2HG2      ILE  76   5.795  11.931   7.364
  609   2HG2  ILE  73          3HG2      ILE  76   6.876  12.841   6.291
  610   3HG2  ILE  73          1HG2      ILE  76   5.270  12.358   5.728
  611   1HD1  ILE  73          1HD1      ILE  76   7.387  10.770   8.524
  612   2HD1  ILE  73          2HD1      ILE  76   7.360   9.059   8.024
  613   3HD1  ILE  73          3HD1      ILE  76   8.903   9.861   8.347
  614    H    SER  74           H        SER  77   5.897   9.466   3.296
  615    HA   SER  74           HA       SER  77   3.141   9.285   2.590
  616   1HB   SER  74          1HB       SER  77   3.176  11.715   3.284
  617   2HB   SER  74          2HB       SER  77   4.439  12.005   2.071
  618    HG   SER  74           HG       SER  77   2.132  12.384   1.509
  619    H    GLN  75           H        GLN  78   2.931   9.556   0.158
  620    HA   GLN  75           HA       GLN  78   5.406   8.994  -1.358
  621   1HB   GLN  75          1HB       GLN  78   3.073   7.027  -1.304
  622   2HB   GLN  75          2HB       GLN  78   4.591   6.895  -2.212
  623   1HG   GLN  75          1HG       GLN  78   5.805   6.886   0.023
  624   2HG   GLN  75          2HG       GLN  78   4.222   6.765   0.817
  625   1HE2  GLN  75          1HE2      GLN  78   5.154   3.303   0.765
  626   2HE2  GLN  75          2HE2      GLN  78   5.313   4.780   1.713
   
  No H/Q in entry =         627
  Start of MODEL           7
 Raw file had 628 H/Q atoms
  Start of MODEL    7
    1   1H    SER  -2           2H       SER   1  -1.493  18.190  -4.503
    2   2H    SER  -2           3H       SER   1  -2.034  16.662  -4.880
    3   3H    SER  -2           1H       SER   1  -0.391  17.041  -4.614
    4    HA   SER  -2           HA       SER   1  -0.807  16.751  -6.965
    5   1HB   SER  -2          1HB       SER   1  -2.983  18.858  -6.653
    6   2HB   SER  -2          2HB       SER   1  -2.670  17.765  -8.034
    7    HG   SER  -2           HG       SER   1  -4.325  16.930  -6.670
    8    H    ALA  -1           H        ALA   2  -1.438  19.783  -7.925
    9    HA   ALA  -1           HA       ALA   2   1.234  20.700  -8.034
   10   1HB   ALA  -1          2HB       ALA   2  -1.362  22.327  -7.992
   11   2HB   ALA  -1          3HB       ALA   2   0.232  22.924  -8.497
   12   3HB   ALA  -1          1HB       ALA   2  -0.569  21.647  -9.431
   13    H    GLN   0           H        GLN   3  -1.427  21.482  -5.780
   14    HA   GLN   0           HA       GLN   3   0.449  22.512  -3.757
   15   1HB   GLN   0          1HB       GLN   3  -1.676  23.701  -4.068
   16   2HB   GLN   0          2HB       GLN   3  -2.596  22.211  -3.800
   17   1HG   GLN   0          1HG       GLN   3  -2.547  23.713  -1.804
   18   2HG   GLN   0          2HG       GLN   3  -1.893  22.109  -1.485
   19   1HE2  GLN   0          1HE2      GLN   3   0.585  25.397  -1.310
   20   2HE2  GLN   0          2HE2      GLN   3  -1.009  25.545  -2.026
   21    H    LYS   1           H        LYS   4   0.991  21.271  -1.997
   22    HA   LYS   1           HA       LYS   4   1.687  19.540  -0.917
   23   1HB   LYS   1          1HB       LYS   4  -1.165  18.693  -1.173
   24   2HB   LYS   1          2HB       LYS   4   0.044  17.886  -0.129
   25   1HG   LYS   1          1HG       LYS   4  -0.558  20.865   0.061
   26   2HG   LYS   1          2HG       LYS   4  -1.510  19.685   0.953
   27   1HD   LYS   1          1HD       LYS   4   0.258  19.015   2.320
   28   2HD   LYS   1          2HD       LYS   4   1.516  19.644   1.262
   29   1HE   LYS   1          1HE       LYS   4  -0.475  21.432   2.713
   30   2HE   LYS   1          2HE       LYS   4   1.123  21.003   3.344
   31   1HZ   LYS   1          2HZ       LYS   4   0.678  22.392   0.787
   32   2HZ   LYS   1          3HZ       LYS   4   1.134  23.096   2.204
   33   3HZ   LYS   1          1HZ       LYS   4   2.132  22.023   1.459
   34    H    SER   2           H        SER   5   3.115  18.150  -1.464
   35    HA   SER   2           HA       SER   5   2.715  15.761  -2.970
   36   1HB   SER   2          1HB       SER   5   2.999  16.514  -5.106
   37   2HB   SER   2          2HB       SER   5   3.042  18.179  -4.550
   38    HG   SER   2           HG       SER   5   4.918  17.702  -5.655
   39    HA   PRO   3           HA       PRO   6   6.602  14.929  -0.965
   40   1HB   PRO   3          1HB       PRO   6   8.280  13.930  -2.949
   41   2HB   PRO   3          2HB       PRO   6   6.994  13.001  -2.131
   42   1HG   PRO   3          1HG       PRO   6   6.811  14.464  -4.778
   43   2HG   PRO   3          2HG       PRO   6   6.291  12.790  -4.413
   44   1HD   PRO   3          1HD       PRO   6   4.503  14.764  -4.453
   45   2HD   PRO   3          2HD       PRO   6   4.437  13.588  -3.116
   46    H    ALA   4           H        ALA   7   6.505  17.044  -3.819
   47    HA   ALA   4           HA       ALA   7   9.077  18.125  -3.662
   48   1HB   ALA   4          1HB       ALA   7   7.476  18.580  -5.516
   49   2HB   ALA   4          2HB       ALA   7   6.479  19.541  -4.396
   50   3HB   ALA   4          3HB       ALA   7   8.114  20.085  -4.824
   51    H    GLU   5           H        GLU   8   6.386  18.606  -1.656
   52    HA   GLU   5           HA       GLU   8   7.230  21.020  -0.283
   53   1HB   GLU   5          1HB       GLU   8   5.488  18.701   0.693
   54   2HB   GLU   5          2HB       GLU   8   5.668  20.252   1.520
   55   1HG   GLU   5          1HG       GLU   8   4.574  19.964  -1.325
   56   2HG   GLU   5          2HG       GLU   8   3.598  20.005   0.149
   57    H    LEU   6           H        LEU   9   7.514  17.543   0.461
   58    HA   LEU   6           HA       LEU   9   9.113  17.780   2.778
   59   1HB   LEU   6          1HB       LEU   9   9.203  15.509   0.751
   60   2HB   LEU   6          2HB       LEU   9   9.709  15.438   2.434
   61    HG   LEU   6           HG       LEU   9   6.835  15.844   1.470
   62   1HD1  LEU   6          1HD1      LEU   9   7.734  13.588   0.993
   63   2HD1  LEU   6          2HD1      LEU   9   8.223  13.421   2.692
   64   3HD1  LEU   6          3HD1      LEU   9   6.502  13.541   2.267
   65   1HD2  LEU   6          1HD2      LEU   9   7.995  15.429   4.259
   66   2HD2  LEU   6          2HD2      LEU   9   7.180  16.900   3.672
   67   3HD2  LEU   6          3HD2      LEU   9   6.265  15.398   3.859
   68    H    LYS   7           H        LYS  10   9.896  17.332  -0.497
   69    HA   LYS   7           HA       LYS  10  12.714  17.284  -0.391
   70   1HB   LYS   7          1HB       LYS  10  11.018  16.976  -2.416
   71   2HB   LYS   7          2HB       LYS  10  11.407  18.670  -2.731
   72   1HG   LYS   7          1HG       LYS  10  13.309  16.291  -2.588
   73   2HG   LYS   7          2HG       LYS  10  12.811  17.171  -4.034
   74   1HD   LYS   7          1HD       LYS  10  13.940  19.236  -3.092
   75   2HD   LYS   7          2HD       LYS  10  14.581  18.228  -1.780
   76   1HE   LYS   7          1HE       LYS  10  15.118  17.758  -4.737
   77   2HE   LYS   7          2HE       LYS  10  16.214  18.552  -3.596
   78   1HZ   LYS   7          1HZ       LYS  10  16.262  16.533  -2.317
   79   2HZ   LYS   7          2HZ       LYS  10  15.280  15.776  -3.399
   80   3HZ   LYS   7          3HZ       LYS  10  16.781  16.273  -3.856
   81    H    SER   8           H        SER  11  10.517  20.138  -0.766
   82    HA   SER   8           HA       SER  11  12.582  22.079  -0.858
   83   1HB   SER   8          1HB       SER  11   9.727  22.390   0.178
   84   2HB   SER   8          2HB       SER  11  10.836  23.700  -0.267
   85    HG   SER   8           HG       SER  11   9.861  21.652  -1.988
   86    H    ILE   9           H        ILE  12  10.617  21.032   2.022
   87    HA   ILE   9           HA       ILE  12  12.006  22.689   3.873
   88    HB   ILE   9           HB       ILE  12  10.707  19.974   4.336
   89   1HG1  ILE   9          1HG1      ILE  12   9.586  22.785   4.781
   90   2HG1  ILE   9          2HG1      ILE  12   9.229  21.814   3.355
   91   1HG2  ILE   9          1HG2      ILE  12  12.255  20.641   6.194
   92   2HG2  ILE   9          2HG2      ILE  12  11.402  22.188   6.328
   93   3HG2  ILE   9          3HG2      ILE  12  10.576  20.666   6.712
   94   1HD1  ILE   9          1HD1      ILE  12   8.292  20.017   4.825
   95   2HD1  ILE   9          2HD1      ILE  12   8.453  21.132   6.206
   96   3HD1  ILE   9          3HD1      ILE  12   7.403  21.552   4.848
   97    H    PHE  10           H        PHE  13  12.591  19.333   2.893
   98    HA   PHE  10           HA       PHE  13  14.877  18.702   4.370
   99   1HB   PHE  10          1HB       PHE  13  13.601  17.094   3.102
  100   2HB   PHE  10          2HB       PHE  13  13.921  17.924   1.594
  101    HD1  PHE  10           HD2      PHE  13  16.170  17.902   0.522
  102    HD2  PHE  10           HD1      PHE  13  15.096  15.385   3.866
  103    HE1  PHE  10           HE2      PHE  13  18.008  16.365  -0.039
  104    HE2  PHE  10           HE1      PHE  13  16.922  13.838   3.271
  105    HZ   PHE  10           HZ       PHE  13  18.432  14.351   1.387
  106    H    GLU  11           H        GLU  14  14.697  20.259   1.109
  107    HA   GLU  11           HA       GLU  14  17.491  20.466   0.808
  108   1HB   GLU  11          1HB       GLU  14  17.170  21.266  -1.194
  109   2HB   GLU  11          2HB       GLU  14  15.516  20.726  -0.951
  110   1HG   GLU  11          1HG       GLU  14  15.026  23.119  -0.143
  111   2HG   GLU  11          2HG       GLU  14  16.654  23.527  -0.701
  112    H    LYS  12           H        LYS  15  15.147  22.731   2.276
  113    HA   LYS  12           HA       LYS  15  17.062  24.863   2.590
  114   1HB   LYS  12          1HB       LYS  15  14.592  24.176   4.234
  115   2HB   LYS  12          2HB       LYS  15  15.506  25.678   4.375
  116   1HG   LYS  12          1HG       LYS  15  14.119  24.747   1.820
  117   2HG   LYS  12          2HG       LYS  15  13.435  25.861   3.004
  118   1HD   LYS  12          1HD       LYS  15  15.339  27.433   2.600
  119   2HD   LYS  12          2HD       LYS  15  15.962  26.331   1.352
  120   1HE   LYS  12          1HE       LYS  15  13.846  26.541   0.082
  121   2HE   LYS  12          2HE       LYS  15  13.220  27.664   1.306
  122   1HZ   LYS  12          1HZ       LYS  15  15.023  29.139   0.778
  123   2HZ   LYS  12          2HZ       LYS  15  15.600  28.094  -0.359
  124   3HZ   LYS  12          3HZ       LYS  15  14.130  28.807  -0.566
  125    OH   TYR  13           OH       TYR  16  12.160  21.748   9.473
  126    H    TYR  13           H        TYR  16  16.209  22.073   4.676
  127    HA   TYR  13           HA       TYR  16  17.963  22.893   6.846
  128   1HB   TYR  13          1HB       TYR  16  16.794  20.216   6.013
  129   2HB   TYR  13          2HB       TYR  16  17.816  20.434   7.433
  130    HD1  TYR  13           HD1      TYR  16  15.483  23.223   6.809
  131    HD2  TYR  13           HD2      TYR  16  15.936  19.351   8.753
  132    HE1  TYR  13           HE1      TYR  16  13.323  23.488   7.904
  133    HE2  TYR  13           HE2      TYR  16  13.809  19.620   9.741
  134    HH   TYR  13           HH       TYR  16  11.771  20.945   9.844
  135    H    ALA  14           H        ALA  17  18.299  20.695   4.056
  136    HA   ALA  14           HA       ALA  17  20.916  19.796   4.582
  137   1HB   ALA  14          2HB       ALA  17  19.356  20.212   1.983
  138   2HB   ALA  14          3HB       ALA  17  20.822  19.247   2.097
  139   3HB   ALA  14          1HB       ALA  17  19.394  18.744   2.986
  140    H    ALA  15           H        ALA  18  19.774  22.587   2.659
  141    HA   ALA  15           HA       ALA  18  22.262  23.631   1.868
  142   1HB   ALA  15          1HB       ALA  18  20.112  24.397   0.952
  143   2HB   ALA  15          2HB       ALA  18  19.688  25.126   2.518
  144   3HB   ALA  15          3HB       ALA  18  21.058  25.759   1.586
  145    H    LYS  16           H        LYS  19  20.456  24.029   4.945
  146    HA   LYS  16           HA       LYS  19  22.006  26.061   6.102
  147   1HB   LYS  16          1HB       LYS  19  19.883  24.860   6.994
  148   2HB   LYS  16          2HB       LYS  19  21.012  23.673   7.684
  149   1HG   LYS  16          1HG       LYS  19  22.211  25.650   8.788
  150   2HG   LYS  16          2HG       LYS  19  20.820  26.632   8.323
  151   1HD   LYS  16          1HD       LYS  19  20.881  24.165  10.134
  152   2HD   LYS  16          2HD       LYS  19  20.567  25.830  10.626
  153   1HE   LYS  16          1HE       LYS  19  18.765  24.044   8.924
  154   2HE   LYS  16          2HE       LYS  19  18.481  24.578  10.581
  155   1HZ   LYS  16          1HZ       LYS  19  18.360  26.828   9.774
  156   2HZ   LYS  16          2HZ       LYS  19  18.605  26.322   8.225
  157   3HZ   LYS  16          3HZ       LYS  19  17.240  25.874   9.032
  158    H    GLU  17           H        GLU  20  22.670  22.559   5.792
  159    HA   GLU  17           HA       GLU  20  25.136  22.688   7.374
  160   1HB   GLU  17          1HB       GLU  20  24.116  20.511   5.486
  161   2HB   GLU  17          2HB       GLU  20  25.466  20.395   6.622
  162   1HG   GLU  17          1HG       GLU  20  23.892  20.806   8.517
  163   2HG   GLU  17          2HG       GLU  20  22.542  20.876   7.369
  164    H    GLY  18           H        GLY  21  24.214  22.411   3.926
  165   1HA   GLY  18          1HA       GLY  21  25.917  24.149   2.747
  166   2HA   GLY  18          2HA       GLY  21  26.991  22.757   2.988
  167    H    ASP  19           H        ASP  22  26.149  20.620   2.213
  168    HA   ASP  19           HA       ASP  22  25.423  20.755  -0.533
  169   1HB   ASP  19          1HB       ASP  22  26.733  18.925   0.420
  170   2HB   ASP  19          2HB       ASP  22  25.369  18.431   1.435
  171    HA   PRO  20           HA       PRO  23  21.039  21.304   0.588
  172   1HB   PRO  20          1HB       PRO  23  19.940  21.796  -1.842
  173   2HB   PRO  20          2HB       PRO  23  21.016  22.958  -1.016
  174   1HG   PRO  20          1HG       PRO  23  21.800  20.921  -3.125
  175   2HG   PRO  20          2HG       PRO  23  22.135  22.680  -3.133
  176   1HD   PRO  20          1HD       PRO  23  23.962  20.888  -2.239
  177   2HD   PRO  20          2HD       PRO  23  23.755  22.463  -1.418
  178    H    ASN  21           H        ASN  24  22.397  18.555  -0.886
  179    HA   ASN  21           HA       ASN  24  19.743  17.326  -1.386
  180   1HB   ASN  21          1HB       ASN  24  21.457  17.276  -3.182
  181   2HB   ASN  21          2HB       ASN  24  22.523  16.348  -2.115
  182   1HD2  ASN  21          1HD2      ASN  24  21.067  13.310  -3.188
  183   2HD2  ASN  21          2HD2      ASN  24  22.488  14.175  -2.624
  184    H    GLN  22           H        GLN  25  21.666  17.542   1.363
  185    HA   GLN  22           HA       GLN  25  20.507  14.995   2.346
  186   1HB   GLN  22          1HB       GLN  25  23.183  15.495   3.433
  187   2HB   GLN  22          2HB       GLN  25  22.491  13.989   2.863
  188   1HG   GLN  22          1HG       GLN  25  23.151  14.650   0.489
  189   2HG   GLN  22          2HG       GLN  25  23.872  16.124   1.173
  190   1HE2  GLN  22          1HE2      GLN  25  26.882  14.211   1.147
  191   2HE2  GLN  22          2HE2      GLN  25  25.980  15.474   0.322
  192    H    LEU  23           H        LEU  26  20.382  14.866   4.676
  193    HA   LEU  23           HA       LEU  26  21.453  17.170   5.967
  194   1HB   LEU  23          1HB       LEU  26  19.323  16.481   7.649
  195   2HB   LEU  23          2HB       LEU  26  19.543  17.967   6.708
  196    HG   LEU  23           HG       LEU  26  18.216  17.179   4.988
  197   1HD1  LEU  23          2HD1      LEU  26  18.480  14.515   6.418
  198   2HD1  LEU  23          3HD1      LEU  26  16.924  14.816   5.627
  199   3HD1  LEU  23          1HD1      LEU  26  18.421  14.810   4.686
  200   1HD2  LEU  23          2HD2      LEU  26  17.078  18.143   6.929
  201   2HD2  LEU  23          3HD2      LEU  26  16.041  16.975   6.109
  202   3HD2  LEU  23          1HD2      LEU  26  16.851  16.531   7.628
  203    H    SER  24           H        SER  27  22.221  16.771   8.074
  204    HA   SER  24           HA       SER  27  23.231  14.090   8.642
  205   1HB   SER  24          1HB       SER  27  24.343  15.244  10.479
  206   2HB   SER  24          2HB       SER  27  24.486  16.272   9.056
  207    HG   SER  24           HG       SER  27  22.868  17.596   9.869
  208    H    LYS  25           H        LYS  28  23.036  13.481  11.085
  209    HA   LYS  25           HA       LYS  28  20.443  12.689  11.711
  210   1HB   LYS  25          1HB       LYS  28  22.847  13.118  13.540
  211   2HB   LYS  25          2HB       LYS  28  21.393  12.213  13.982
  212   1HG   LYS  25          1HG       LYS  28  21.833  10.767  11.885
  213   2HG   LYS  25          2HG       LYS  28  23.440  11.505  11.833
  214   1HD   LYS  25          1HD       LYS  28  22.246   9.898  14.138
  215   2HD   LYS  25          2HD       LYS  28  23.467   9.352  12.981
  216   1HE   LYS  25          1HE       LYS  28  25.029  11.125  13.805
  217   2HE   LYS  25          2HE       LYS  28  23.825  11.586  15.028
  218   1HZ   LYS  25          1HZ       LYS  28  23.961   9.378  15.910
  219   2HZ   LYS  25          2HZ       LYS  28  25.089   8.951  14.788
  220   3HZ   LYS  25          3HZ       LYS  28  25.442  10.101  15.913
  221    H    GLU  26           H        GLU  29  22.132  15.682  12.714
  222    HA   GLU  26           HA       GLU  29  20.242  16.458  14.719
  223   1HB   GLU  26          1HB       GLU  29  22.146  18.132  13.012
  224   2HB   GLU  26          2HB       GLU  29  21.240  18.720  14.414
  225   1HG   GLU  26          1HG       GLU  29  22.365  17.043  15.857
  226   2HG   GLU  26          2HG       GLU  29  23.292  16.452  14.467
  227    H    GLU  27           H        GLU  30  20.656  17.694  11.373
  228    HA   GLU  27           HA       GLU  30  18.240  19.174  11.299
  229   1HB   GLU  27          1HB       GLU  30  20.101  18.035   9.238
  230   2HB   GLU  27          2HB       GLU  30  18.516  18.637   8.730
  231   1HG   GLU  27          1HG       GLU  30  20.340  20.370   8.603
  232   2HG   GLU  27          2HG       GLU  30  18.915  20.830   9.538
  233    H    LEU  28           H        LEU  31  18.826  15.689  10.476
  234    HA   LEU  28           HA       LEU  31  16.149  15.306   9.657
  235   1HB   LEU  28          1HB       LEU  31  18.447  13.579  10.304
  236   2HB   LEU  28          2HB       LEU  31  16.923  12.856  10.805
  237    HG   LEU  28           HG       LEU  31  17.249  14.112   8.107
  238   1HD1  LEU  28          2HD1      LEU  31  17.661  11.217   8.957
  239   2HD1  LEU  28          3HD1      LEU  31  17.544  11.789   7.276
  240   3HD1  LEU  28          1HD1      LEU  31  18.890  12.334   8.309
  241   1HD2  LEU  28          1HD2      LEU  31  15.279  12.060   9.228
  242   2HD2  LEU  28          2HD2      LEU  31  14.876  13.741   8.851
  243   3HD2  LEU  28          3HD2      LEU  31  15.313  12.636   7.546
  244    H    LYS  29           H        LYS  32  17.619  14.774  12.918
  245    HA   LYS  29           HA       LYS  32  15.357  13.904  14.283
  246   1HB   LYS  29          1HB       LYS  32  17.519  14.065  15.447
  247   2HB   LYS  29          2HB       LYS  32  17.646  15.768  15.079
  248   1HG   LYS  29          1HG       LYS  32  17.233  15.650  17.340
  249   2HG   LYS  29          2HG       LYS  32  15.733  16.255  16.637
  250   1HD   LYS  29          1HD       LYS  32  14.736  13.983  16.848
  251   2HD   LYS  29          2HD       LYS  32  16.288  13.325  17.390
  252   1HE   LYS  29          1HE       LYS  32  16.278  14.695  19.400
  253   2HE   LYS  29          2HE       LYS  32  14.811  15.542  18.893
  254   1HZ   LYS  29          2HZ       LYS  32  14.980  12.667  19.464
  255   2HZ   LYS  29          3HZ       LYS  32  14.415  13.813  20.502
  256   3HZ   LYS  29          1HZ       LYS  32  13.605  13.513  19.108
  257    H    GLN  30           H        GLN  33  16.416  17.258  13.694
  258    HA   GLN  30           HA       GLN  33  14.234  18.555  14.861
  259   1HB   GLN  30          1HB       GLN  33  15.962  19.330  12.470
  260   2HB   GLN  30          2HB       GLN  33  14.836  20.452  13.238
  261   1HG   GLN  30          1HG       GLN  33  16.129  20.691  15.145
  262   2HG   GLN  30          2HG       GLN  33  16.792  19.061  15.053
  263   1HE2  GLN  30          1HE2      GLN  33  18.648  21.608  12.416
  264   2HE2  GLN  30          2HE2      GLN  33  16.881  21.557  12.428
  265    H    LEU  31           H        LEU  34  14.657  17.725  11.327
  266    HA   LEU  31           HA       LEU  34  12.158  18.350  10.410
  267   1HB   LEU  31          1HB       LEU  34  14.187  17.429   9.099
  268   2HB   LEU  31          2HB       LEU  34  13.640  15.839   9.599
  269    HG   LEU  31           HG       LEU  34  11.370  16.456   8.515
  270   1HD1  LEU  31          2HD1      LEU  34  13.164  18.503   7.142
  271   2HD1  LEU  31          3HD1      LEU  34  11.511  18.069   6.662
  272   3HD1  LEU  31          1HD1      LEU  34  11.790  18.882   8.206
  273   1HD2  LEU  31          1HD2      LEU  34  13.889  16.063   6.846
  274   2HD2  LEU  31          2HD2      LEU  34  12.898  14.785   7.583
  275   3HD2  LEU  31          3HD2      LEU  34  12.231  15.783   6.279
  276    H    ILE  32           H        ILE  35  12.984  15.257  11.589
  277    HA   ILE  32           HA       ILE  35  10.445  14.034  11.362
  278    HB   ILE  32           HB       ILE  35  12.516  13.325  13.469
  279   1HG1  ILE  32          1HG1      ILE  35  13.716  12.968  11.513
  280   2HG1  ILE  32          2HG1      ILE  35  13.038  11.407  11.879
  281   1HG2  ILE  32          2HG2      ILE  35  10.165  11.741  12.352
  282   2HG2  ILE  32          3HG2      ILE  35  11.421  11.086  13.421
  283   3HG2  ILE  32          1HG2      ILE  35  10.347  12.347  14.009
  284   1HD1  ILE  32          1HD1      ILE  35  11.181  11.868  10.204
  285   2HD1  ILE  32          2HD1      ILE  35  12.068  13.347   9.750
  286   3HD1  ILE  32          3HD1      ILE  35  12.807  11.764   9.512
  287    H    GLN  33           H        GLN  36  11.838  15.220  14.240
  288    HA   GLN  33           HA       GLN  36   9.550  14.909  15.900
  289   1HB   GLN  33          1HB       GLN  36  11.848  16.870  16.204
  290   2HB   GLN  33          2HB       GLN  36  10.700  16.450  17.483
  291   1HG   GLN  33          1HG       GLN  36  12.512  14.395  16.114
  292   2HG   GLN  33          2HG       GLN  36  12.912  15.295  17.575
  293   1HE2  GLN  33          1HE2      GLN  36  10.106  12.284  17.798
  294   2HE2  GLN  33          2HE2      GLN  36  10.419  13.035  16.243
  295    H    ALA  34           H        ALA  37  10.628  17.826  14.089
  296    HA   ALA  34           HA       ALA  37   8.467  19.425  15.152
  297   1HB   ALA  34          1HB       ALA  37  10.616  20.391  14.514
  298   2HB   ALA  34          2HB       ALA  37  10.339  19.936  12.821
  299   3HB   ALA  34          3HB       ALA  37   9.281  21.127  13.606
  300    H    GLU  35           H        GLU  38   9.011  17.928  11.882
  301    HA   GLU  35           HA       GLU  38   6.370  18.954  11.047
  302   1HB   GLU  35          1HB       GLU  38   8.626  17.596   9.553
  303   2HB   GLU  35          2HB       GLU  38   7.035  17.910   8.861
  304   1HG   GLU  35          1HG       GLU  38   8.565  19.674   8.227
  305   2HG   GLU  35          2HG       GLU  38   7.221  20.294   9.189
  306    H    PHE  36           H        PHE  39   7.735  15.698  11.866
  307    HA   PHE  36           HA       PHE  39   5.001  14.659  11.819
  308   1HB   PHE  36          1HB       PHE  39   5.814  12.878  10.002
  309   2HB   PHE  36          2HB       PHE  39   4.915  14.334   9.667
  310    HD1  PHE  36           HD1      PHE  39   8.566  13.418  10.073
  311    HD2  PHE  36           HD2      PHE  39   5.583  15.604   7.855
  312    HE1  PHE  36           HE1      PHE  39  10.314  14.250   8.525
  313    HE2  PHE  36           HE2      PHE  39   7.340  16.479   6.357
  314    HZ   PHE  36           HZ       PHE  39   9.706  15.783   6.662
  315    HA   PRO  37           HA       PRO  40   7.979  12.548  14.615
  316   1HB   PRO  37          1HB       PRO  40   6.384  12.481  16.887
  317   2HB   PRO  37          2HB       PRO  40   7.446  13.833  16.413
  318   1HG   PRO  37          1HG       PRO  40   4.489  13.534  15.845
  319   2HG   PRO  37          2HG       PRO  40   5.340  14.949  16.540
  320   1HD   PRO  37          1HD       PRO  40   4.739  14.879  13.936
  321   2HD   PRO  37          2HD       PRO  40   6.349  15.470  14.438
  322    H    SER  38           H        SER  41   5.423  11.546  12.912
  323    HA   SER  38           HA       SER  41   4.202   9.656  12.615
  324   1HB   SER  38          1HB       SER  41   7.075   8.691  12.901
  325   2HB   SER  38          2HB       SER  41   5.799   7.813  12.058
  326    HG   SER  38           HG       SER  41   6.775  10.440  11.457
  327    H    LEU  39           H        LEU  42   3.856  10.235  15.297
  328    HA   LEU  39           HA       LEU  42   3.439   9.383  17.378
  329   1HB   LEU  39          1HB       LEU  42   2.454   7.021  15.735
  330   2HB   LEU  39          2HB       LEU  42   1.919   7.475  17.358
  331    HG   LEU  39           HG       LEU  42   1.471   9.091  14.804
  332   1HD1  LEU  39          1HD1      LEU  42   0.116   7.034  14.971
  333   2HD1  LEU  39          2HD1      LEU  42  -0.455   7.534  16.578
  334   3HD1  LEU  39          3HD1      LEU  42  -0.886   8.487  15.143
  335   1HD2  LEU  39          1HD2      LEU  42   0.592   9.632  17.680
  336   2HD2  LEU  39          2HD2      LEU  42   1.673  10.646  16.694
  337   3HD2  LEU  39          3HD2      LEU  42  -0.028  10.484  16.250
  338    H    LEU  40           H        LEU  43   6.137   9.020  16.753
  339    HA   LEU  40           HA       LEU  43   6.994   6.317  17.401
  340   1HB   LEU  40          1HB       LEU  43   8.430   8.993  17.362
  341   2HB   LEU  40          2HB       LEU  43   9.242   7.442  17.595
  342    HG   LEU  40           HG       LEU  43   7.561   7.999  15.118
  343   1HD1  LEU  40          2HD1      LEU  43  10.529   8.496  15.525
  344   2HD1  LEU  40          3HD1      LEU  43   9.672   8.586  13.971
  345   3HD1  LEU  40          1HD1      LEU  43   9.298   9.743  15.259
  346   1HD2  LEU  40          1HD2      LEU  43   9.823   6.044  15.672
  347   2HD2  LEU  40          2HD2      LEU  43   8.095   5.635  15.530
  348   3HD2  LEU  40          3HD2      LEU  43   8.976   6.245  14.126
  349    H    LYS  41           H        LYS  44   5.337   6.383  19.256
  350    HA   LYS  41           HA       LYS  44   6.120   7.743  21.700
  351   1HB   LYS  41          1HB       LYS  44   3.776   7.088  20.817
  352   2HB   LYS  41          2HB       LYS  44   4.092   5.490  21.479
  353   1HG   LYS  41          1HG       LYS  44   4.107   8.154  23.001
  354   2HG   LYS  41          2HG       LYS  44   2.777   6.992  22.949
  355   1HD   LYS  41          1HD       LYS  44   4.278   5.270  24.004
  356   2HD   LYS  41          2HD       LYS  44   5.515   6.528  24.206
  357   1HE   LYS  41          1HE       LYS  44   3.933   7.875  25.567
  358   2HE   LYS  41          2HE       LYS  44   2.698   6.614  25.376
  359   1HZ   LYS  41          1HZ       LYS  44   4.159   5.097  26.493
  360   2HZ   LYS  41          2HZ       LYS  44   5.306   6.266  26.675
  361   3HZ   LYS  41          3HZ       LYS  44   3.854   6.411  27.438
  362    H    GLY  42           H        GLY  45   8.374   6.745  21.246
  363   1HA   GLY  42          1HA       GLY  45   9.629   5.589  23.062
  364   2HA   GLY  42          2HA       GLY  45   8.700   4.121  22.681
  365    HA   PRO  43           HA       PRO  46  12.699   4.385  20.221
  366   1HB   PRO  43          1HB       PRO  46  13.111   1.674  21.477
  367   2HB   PRO  43          2HB       PRO  46  14.289   2.988  21.216
  368   1HG   PRO  43          1HG       PRO  46  13.248   2.519  23.675
  369   2HG   PRO  43          2HG       PRO  46  13.370   4.207  23.085
  370   1HD   PRO  43          1HD       PRO  46  10.945   2.371  22.936
  371   2HD   PRO  43          2HD       PRO  46  11.070   4.004  23.641
  372    NH1  ARG  44           NH2      ARG  47   9.688   0.184  13.201
  373    NH2  ARG  44           NH1      ARG  47  10.969  -1.253  14.486
  374    H    ARG  44           H        ARG  47  10.347   3.852  18.838
  375    HA   ARG  44           HA       ARG  47  10.224   1.236  17.662
  376   1HB   ARG  44          1HB       ARG  47   8.362   2.815  17.574
  377   2HB   ARG  44          2HB       ARG  47   9.357   3.995  16.729
  378   1HG   ARG  44          1HG       ARG  47   7.814   3.020  15.198
  379   2HG   ARG  44          2HG       ARG  47   9.436   2.526  14.723
  380   1HD   ARG  44          1HD       ARG  47   7.608   0.784  16.445
  381   2HD   ARG  44          2HD       ARG  47   7.510   0.756  14.693
  382    HE   ARG  44           HE       ARG  47   9.550  -0.444  16.364
  383   1HH1  ARG  44          1HH2      ARG  47   8.953   0.871  13.142
  384   2HH1  ARG  44          2HH2      ARG  47  10.213  -0.060  12.376
  385   1HH2  ARG  44          1HH1      ARG  47  11.233  -1.601  15.396
  386   2HH2  ARG  44          2HH1      ARG  47  11.516  -1.515  13.681
  387    H    THR  45           H        THR  48  11.813   4.325  16.708
  388    HA   THR  45           HA       THR  48  14.069   2.955  15.605
  389    HB   THR  45           HB       THR  48  11.953   4.153  13.826
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  14.946   4.590  13.403
  391   2HG2  THR  45          3HG2      THR  48  13.744   4.578  12.076
  392   3HG2  THR  45          1HG2      THR  48  13.661   5.773  13.346
  393    H    LEU  46           H        LEU  49  12.329   5.823  15.328
  394    HA   LEU  46           HA       LEU  49  12.733   7.991  15.296
  395   1HB   LEU  46          1HB       LEU  49  12.523   7.696  17.718
  396   2HB   LEU  46          2HB       LEU  49  14.264   7.409  17.858
  397    HG   LEU  46           HG       LEU  49  14.732   9.715  17.086
  398   1HD1  LEU  46          2HD1      LEU  49  11.700  10.067  17.025
  399   2HD1  LEU  46          3HD1      LEU  49  12.896  11.373  16.924
  400   3HD1  LEU  46          1HD1      LEU  49  12.799  10.186  15.628
  401   1HD2  LEU  46          2HD2      LEU  49  14.439   9.239  19.485
  402   2HD2  LEU  46          3HD2      LEU  49  13.870  10.868  19.087
  403   3HD2  LEU  46          1HD2      LEU  49  12.697   9.565  19.349
  404    H    ASP  47           H        ASP  50  15.872   6.639  16.333
  405    HA   ASP  47           HA       ASP  50  17.155   8.151  14.161
  406   1HB   ASP  47          1HB       ASP  50  17.752   8.944  16.465
  407   2HB   ASP  47          2HB       ASP  50  18.155   7.269  16.907
  408    H    ASP  48           H        ASP  51  16.580   4.910  15.213
  409    HA   ASP  48           HA       ASP  51  19.023   3.705  14.544
  410   1HB   ASP  48          1HB       ASP  51  17.273   2.504  15.691
  411   2HB   ASP  48          2HB       ASP  51  16.195   2.603  14.294
  412    H    LEU  49           H        LEU  52  16.271   3.382  12.331
  413    HA   LEU  49           HA       LEU  52  17.813   2.591  10.063
  414   1HB   LEU  49          1HB       LEU  52  15.274   4.214   9.688
  415   2HB   LEU  49          2HB       LEU  52  15.914   2.908   8.693
  416    HG   LEU  49           HG       LEU  52  14.769   2.712  11.475
  417   1HD1  LEU  49          1HD1      LEU  52  13.062   3.252   9.818
  418   2HD1  LEU  49          2HD1      LEU  52  13.573   1.884   8.803
  419   3HD1  LEU  49          3HD1      LEU  52  12.837   1.593  10.395
  420   1HD2  LEU  49          2HD2      LEU  52  16.434   0.885  11.036
  421   2HD2  LEU  49          3HD2      LEU  52  14.793   0.230  11.115
  422   3HD2  LEU  49          1HD2      LEU  52  15.576   0.474   9.539
  423    H    PHE  50           H        PHE  53  16.464   5.578  10.983
  424    HA   PHE  50           HA       PHE  53  17.238   7.531   9.183
  425   1HB   PHE  50          1HB       PHE  53  15.877   7.779  11.213
  426   2HB   PHE  50          2HB       PHE  53  17.273   7.456  12.185
  427    HD1  PHE  50           HD1      PHE  53  19.321   9.225  11.888
  428    HD2  PHE  50           HD2      PHE  53  15.069   9.867  11.524
  429    HE1  PHE  50           HE1      PHE  53  19.486  11.194  13.296
  430    HE2  PHE  50           HE2      PHE  53  15.251  11.777  13.042
  431    HZ   PHE  50           HZ       PHE  53  17.475  12.445  13.942
  432    H    GLN  51           H        GLN  54  19.326   6.295  11.903
  433    HA   GLN  51           HA       GLN  54  21.625   7.802  11.108
  434   1HB   GLN  51          1HB       GLN  54  21.291   7.115  13.387
  435   2HB   GLN  51          2HB       GLN  54  21.348   5.397  12.970
  436   1HG   GLN  51          1HG       GLN  54  23.701   7.192  12.278
  437   2HG   GLN  51          2HG       GLN  54  23.434   6.705  13.953
  438   1HE2  GLN  51          1HE2      GLN  54  24.856   3.940  11.298
  439   2HE2  GLN  51          2HE2      GLN  54  24.245   5.474  10.691
  440    H    GLU  52           H        GLU  55  20.596   4.378  10.592
  441    HA   GLU  52           HA       GLU  55  22.965   3.523   9.285
  442   1HB   GLU  52          1HB       GLU  55  20.083   2.672   8.774
  443   2HB   GLU  52          2HB       GLU  55  21.514   1.841   8.160
  444   1HG   GLU  52          1HG       GLU  55  22.294   1.349  10.414
  445   2HG   GLU  52          2HG       GLU  55  20.988   2.289  11.137
  446    H    LEU  53           H        LEU  56  20.180   5.329   8.057
  447    HA   LEU  53           HA       LEU  56  21.075   5.379   5.299
  448   1HB   LEU  53          1HB       LEU  56  19.008   6.979   6.838
  449   2HB   LEU  53          2HB       LEU  56  19.222   7.086   5.096
  450    HG   LEU  53           HG       LEU  56  18.571   4.460   6.508
  451   1HD1  LEU  53          1HD1      LEU  56  16.790   6.109   6.927
  452   2HD1  LEU  53          2HD1      LEU  56  16.683   6.441   5.181
  453   3HD1  LEU  53          3HD1      LEU  56  16.244   4.841   5.819
  454   1HD2  LEU  53          2HD2      LEU  56  19.531   4.200   4.225
  455   2HD2  LEU  53          3HD2      LEU  56  17.832   3.730   4.295
  456   3HD2  LEU  53          1HD2      LEU  56  18.280   5.291   3.591
  457    H    ASP  54           H        ASP  57  22.053   7.223   8.070
  458    HA   ASP  54           HA       ASP  57  22.906   9.745   6.755
  459   1HB   ASP  54          1HB       ASP  57  22.163   9.304   9.162
  460   2HB   ASP  54          2HB       ASP  57  23.758   8.581   9.415
  461    H    LYS  55           H        LYS  58  23.772   7.785   5.144
  462    HA   LYS  55           HA       LYS  58  25.381   6.149   4.707
  463   1HB   LYS  55          1HB       LYS  58  26.482   8.822   3.848
  464   2HB   LYS  55          2HB       LYS  58  26.919   7.249   3.172
  465   1HG   LYS  55          1HG       LYS  58  24.524   6.864   2.560
  466   2HG   LYS  55          2HG       LYS  58  24.126   8.476   3.145
  467   1HD   LYS  55          1HD       LYS  58  25.913   7.763   0.786
  468   2HD   LYS  55          2HD       LYS  58  24.335   8.564   0.762
  469   1HE   LYS  55          1HE       LYS  58  25.437  10.450   2.151
  470   2HE   LYS  55          2HE       LYS  58  26.988   9.678   1.745
  471   1HZ   LYS  55          1HZ       LYS  58  26.348   9.930  -0.588
  472   2HZ   LYS  55          2HZ       LYS  58  25.018  10.795  -0.107
  473   3HZ   LYS  55          3HZ       LYS  58  26.525  11.364   0.211
  474    H    ASN  56           H        ASN  59  27.552   8.786   5.896
  475    HA   ASN  56           HA       ASN  59  28.693   6.874   7.807
  476   1HB   ASN  56          1HB       ASN  59  29.802   6.362   5.557
  477   2HB   ASN  56          2HB       ASN  59  30.510   7.976   5.618
  478   1HD2  ASN  56          1HD2      ASN  59  31.708   5.150   8.426
  479   2HD2  ASN  56          2HD2      ASN  59  30.040   5.157   7.869
  480    H    GLY  57           H        GLY  60  27.388   9.576   7.764
  481   1HA   GLY  57          1HA       GLY  60  27.533  11.314   9.305
  482   2HA   GLY  57          2HA       GLY  60  29.201  10.860   9.710
  483    H    ASP  58           H        ASP  61  30.498  10.820   7.474
  484    HA   ASP  58           HA       ASP  61  30.517  13.606   6.389
  485   1HB   ASP  58          1HB       ASP  61  32.683  13.111   5.511
  486   2HB   ASP  58          2HB       ASP  61  32.658  12.599   7.202
  487    H    GLY  59           H        GLY  62  28.330  12.541   5.806
  488   1HA   GLY  59          1HA       GLY  62  27.569  12.458   3.255
  489   2HA   GLY  59          2HA       GLY  62  28.161  10.781   3.500
  490    H    GLU  60           H        GLU  63  25.615  12.904   4.080
  491    HA   GLU  60           HA       GLU  63  24.548  11.648   6.571
  492   1HB   GLU  60          1HB       GLU  63  23.405  14.003   5.220
  493   2HB   GLU  60          2HB       GLU  63  23.302  13.218   6.816
  494   1HG   GLU  60          1HG       GLU  63  24.665  15.250   7.045
  495   2HG   GLU  60          2HG       GLU  63  25.743  13.854   7.207
  496    H    VAL  61           H        VAL  64  21.817  12.326   6.001
  497    HA   VAL  61           HA       VAL  64  21.075  10.072   4.306
  498    HB   VAL  61           HB       VAL  64  19.327  12.075   5.787
  499   1HG1  VAL  61          2HG1      VAL  64  18.805   9.322   4.556
  500   2HG1  VAL  61          3HG1      VAL  64  17.660  10.175   5.607
  501   3HG1  VAL  61          1HG1      VAL  64  18.110  10.869   4.047
  502   1HG2  VAL  61          1HG2      VAL  64  20.465   9.375   6.557
  503   2HG2  VAL  61          2HG2      VAL  64  20.726  10.902   7.421
  504   3HG2  VAL  61          3HG2      VAL  64  19.148  10.092   7.433
  505    H    SER  62           H        SER  65  22.112  10.868   2.455
  506    HA   SER  62           HA       SER  65  21.305  13.148   0.964
  507   1HB   SER  62          1HB       SER  65  22.262  10.401   0.102
  508   2HB   SER  62          2HB       SER  65  22.077  11.764  -1.020
  509    HG   SER  62           HG       SER  65  23.645  11.960   1.350
  510    H    PHE  63           H        PHE  66  19.609  13.423  -0.582
  511    HA   PHE  63           HA       PHE  66  17.128  12.575   0.040
  512   1HB   PHE  63          1HB       PHE  66  17.677  14.329  -1.610
  513   2HB   PHE  63          2HB       PHE  66  17.974  13.086  -2.822
  514    HD1  PHE  63           HD1      PHE  66  15.402  14.554  -0.531
  515    HD2  PHE  63           HD2      PHE  66  16.090  11.939  -3.896
  516    HE1  PHE  63           HE1      PHE  66  12.955  14.298  -0.842
  517    HE2  PHE  63           HE2      PHE  66  13.648  11.673  -4.186
  518    HZ   PHE  63           HZ       PHE  66  12.074  12.853  -2.664
  519    H    GLU  64           H        GLU  67  19.182  10.893  -2.306
  520    HA   GLU  64           HA       GLU  67  17.555   8.873  -3.217
  521   1HB   GLU  64          1HB       GLU  67  20.461   8.437  -2.390
  522   2HB   GLU  64          2HB       GLU  67  19.517   7.535  -3.569
  523   1HG   GLU  64          1HG       GLU  67  20.742   8.899  -4.957
  524   2HG   GLU  64          2HG       GLU  67  19.280   9.876  -4.790
  525    H    GLU  65           H        GLU  68  19.426   8.867  -0.171
  526    HA   GLU  65           HA       GLU  68  18.401   6.294   0.742
  527   1HB   GLU  65          1HB       GLU  68  20.208   8.442   1.962
  528   2HB   GLU  65          2HB       GLU  68  19.622   7.077   2.890
  529   1HG   GLU  65          1HG       GLU  68  21.824   6.593   2.014
  530   2HG   GLU  65          2HG       GLU  68  20.623   5.473   1.361
  531    H    PHE  66           H        PHE  69  17.836   9.739   1.460
  532    HA   PHE  66           HA       PHE  69  16.155   9.619   3.643
  533   1HB   PHE  66          1HB       PHE  69  16.868  11.732   2.439
  534   2HB   PHE  66          2HB       PHE  69  15.703  11.335   1.187
  535    HD1  PHE  66           HD1      PHE  69  15.338  11.329   4.956
  536    HD2  PHE  66           HD2      PHE  69  14.042  12.918   1.155
  537    HE1  PHE  66           HE1      PHE  69  13.463  12.505   6.069
  538    HE2  PHE  66           HE2      PHE  69  12.251  14.181   2.298
  539    HZ   PHE  66           HZ       PHE  69  11.923  13.934   4.749
  540    H    GLN  67           H        GLN  70  15.210   9.088   0.254
  541    HA   GLN  67           HA       GLN  70  12.476   8.823   0.399
  542   1HB   GLN  67          1HB       GLN  70  14.466   7.035  -1.032
  543   2HB   GLN  67          2HB       GLN  70  12.725   7.005  -1.345
  544   1HG   GLN  67          1HG       GLN  70  12.696   9.302  -2.079
  545   2HG   GLN  67          2HG       GLN  70  14.383   9.549  -1.649
  546   1HE2  GLN  67          1HE2      GLN  70  15.505   7.330  -4.408
  547   2HE2  GLN  67          2HE2      GLN  70  15.752   7.385  -2.667
  548    H    VAL  68           H        VAL  71  14.846   6.317   1.471
  549    HA   VAL  68           HA       VAL  71  12.894   4.306   2.051
  550    HB   VAL  68           HB       VAL  71  15.643   4.758   3.306
  551   1HG1  VAL  68          2HG1      VAL  71  13.909   2.258   3.115
  552   2HG1  VAL  68          3HG1      VAL  71  15.582   2.306   3.706
  553   3HG1  VAL  68          1HG1      VAL  71  14.312   3.144   4.602
  554   1HG2  VAL  68          1HG2      VAL  71  14.830   3.137   0.851
  555   2HG2  VAL  68          2HG2      VAL  71  15.845   4.594   0.849
  556   3HG2  VAL  68          3HG2      VAL  71  16.434   3.116   1.611
  557    H    LEU  69           H        LEU  72  14.268   6.965   4.030
  558    HA   LEU  69           HA       LEU  72  12.868   6.145   6.403
  559   1HB   LEU  69          1HB       LEU  72  14.924   7.622   6.337
  560   2HB   LEU  69          2HB       LEU  72  13.904   8.919   5.713
  561    HG   LEU  69           HG       LEU  72  12.527   8.804   7.808
  562   1HD1  LEU  69          2HD1      LEU  72  14.647   6.778   8.675
  563   2HD1  LEU  69          3HD1      LEU  72  13.534   7.608   9.782
  564   3HD1  LEU  69          1HD1      LEU  72  12.892   6.501   8.571
  565   1HD2  LEU  69          2HD2      LEU  72  14.390  10.386   7.557
  566   2HD2  LEU  69          3HD2      LEU  72  14.240   9.843   9.238
  567   3HD2  LEU  69          1HD2      LEU  72  15.528   9.185   8.207
  568    H    VAL  70           H        VAL  73  12.207   8.414   3.717
  569    HA   VAL  70           HA       VAL  73   9.848   9.575   4.670
  570    HB   VAL  70           HB       VAL  73  10.573   8.907   1.805
  571   1HG1  VAL  70          2HG1      VAL  73   8.358  10.688   2.896
  572   2HG1  VAL  70          3HG1      VAL  73   8.903  10.648   1.207
  573   3HG1  VAL  70          1HG1      VAL  73   8.143   9.221   1.918
  574   1HG2  VAL  70          2HG2      VAL  73  12.093  10.517   3.024
  575   2HG2  VAL  70          3HG2      VAL  73  11.193  11.276   1.705
  576   3HG2  VAL  70          1HG2      VAL  73  10.677  11.513   3.387
  577    H    LYS  71           H        LYS  74  10.271   6.425   2.963
  578    HA   LYS  71           HA       LYS  74   7.527   5.708   2.835
  579   1HB   LYS  71          1HB       LYS  74   9.919   3.880   3.289
  580   2HB   LYS  71          2HB       LYS  74   8.299   3.375   2.807
  581   1HG   LYS  71          1HG       LYS  74  10.344   4.885   1.167
  582   2HG   LYS  71          2HG       LYS  74   9.678   3.296   0.929
  583   1HD   LYS  71          1HD       LYS  74   8.524   4.405  -0.680
  584   2HD   LYS  71          2HD       LYS  74   7.365   4.492   0.642
  585   1HE   LYS  71          1HE       LYS  74   7.555   6.613  -0.611
  586   2HE   LYS  71          2HE       LYS  74   8.056   6.870   1.056
  587   1HZ   LYS  71          2HZ       LYS  74   9.885   6.428  -1.192
  588   2HZ   LYS  71          3HZ       LYS  74   9.514   7.891  -0.531
  589   3HZ   LYS  71          1HZ       LYS  74  10.318   6.769   0.365
  590    H    LYS  72           H        LYS  75   9.530   5.912   5.725
  591    HA   LYS  72           HA       LYS  75   7.653   4.234   7.269
  592   1HB   LYS  72          1HB       LYS  75  10.050   5.759   8.298
  593   2HB   LYS  72          2HB       LYS  75   9.219   4.384   9.031
  594   1HG   LYS  72          1HG       LYS  75  10.956   4.377   6.530
  595   2HG   LYS  72          2HG       LYS  75  11.340   3.674   8.097
  596   1HD   LYS  72          1HD       LYS  75   9.491   2.031   7.829
  597   2HD   LYS  72          2HD       LYS  75   9.094   2.737   6.247
  598   1HE   LYS  72          1HE       LYS  75  11.368   2.210   5.417
  599   2HE   LYS  72          2HE       LYS  75  11.758   1.449   6.971
  600   1HZ   LYS  72          1HZ       LYS  75   9.986  -0.108   6.573
  601   2HZ   LYS  72          2HZ       LYS  75   9.634   0.603   5.128
  602   3HZ   LYS  72          3HZ       LYS  75  11.086  -0.147   5.346
  603    H    ILE  73           H        ILE  76   7.690   7.505   6.295
  604    HA   ILE  73           HA       ILE  76   7.035   8.887   8.645
  605    HB   ILE  73           HB       ILE  76   6.176   9.302   5.769
  606   1HG1  ILE  73          1HG1      ILE  76   8.655   9.453   6.505
  607   2HG1  ILE  73          2HG1      ILE  76   7.967  10.792   5.572
  608   1HG2  ILE  73          2HG2      ILE  76   5.718  11.121   8.160
  609   2HG2  ILE  73          3HG2      ILE  76   5.650  11.663   6.467
  610   3HG2  ILE  73          1HG2      ILE  76   4.508  10.453   7.050
  611   1HD1  ILE  73          2HD1      ILE  76   8.302  10.797   8.604
  612   2HD1  ILE  73          3HD1      ILE  76   9.429  11.515   7.438
  613   3HD1  ILE  73          1HD1      ILE  76   7.780  12.142   7.557
  614    H    SER  74           H        SER  77   5.592   8.290  10.033
  615    HA   SER  74           HA       SER  77   3.728   7.328  11.017
  616   1HB   SER  74          1HB       SER  77   2.286   8.642   8.674
  617   2HB   SER  74          2HB       SER  77   1.583   8.193  10.237
  618    HG   SER  74           HG       SER  77   3.776   9.979   9.933
  619    H    GLN  75           H        GLN  78   5.207   5.625   9.358
  620    HA   GLN  75           HA       GLN  78   5.154   3.450   8.797
  621   1HB   GLN  75          1HB       GLN  78   2.135   3.399   8.814
  622   2HB   GLN  75          2HB       GLN  78   3.229   2.048   8.961
  623   1HG   GLN  75          1HG       GLN  78   3.654   2.364  11.189
  624   2HG   GLN  75          2HG       GLN  78   3.477   4.114  11.152
  625   1HE2  GLN  75          1HE2      GLN  78  -0.169   4.006  11.239
  626   2HE2  GLN  75          2HE2      GLN  78   1.093   4.745  10.248
   
  No H/Q in entry =         627
  Start of MODEL           8
 Raw file had 628 H/Q atoms
  Start of MODEL    8
    1   1H    SER  -2           2H       SER   1   0.608   6.211   3.491
    2   2H    SER  -2           3H       SER   1  -0.253   5.490   4.656
    3   3H    SER  -2           1H       SER   1  -1.014   5.980   3.246
    4    HA   SER  -2           HA       SER   1  -1.538   7.496   5.007
    5   1HB   SER  -2          1HB       SER   1   1.480   7.878   5.235
    6   2HB   SER  -2          2HB       SER   1   0.227   8.534   6.317
    7    HG   SER  -2           HG       SER   1   1.365   6.440   6.880
    8    H    ALA  -1           H        ALA   2  -1.530   9.903   4.676
    9    HA   ALA  -1           HA       ALA   2  -1.308  10.565   1.870
   10   1HB   ALA  -1          1HB       ALA   2  -3.128  11.408   3.279
   11   2HB   ALA  -1          2HB       ALA   2  -1.962  12.276   4.304
   12   3HB   ALA  -1          3HB       ALA   2  -2.177  12.743   2.602
   13    H    GLN   0           H        GLN   3   1.072   9.975   1.850
   14    HA   GLN   0           HA       GLN   3   3.004  11.621   3.119
   15   1HB   GLN   0          1HB       GLN   3   3.351   9.368   1.837
   16   2HB   GLN   0          2HB       GLN   3   3.411  10.371   0.376
   17   1HG   GLN   0          1HG       GLN   3   5.154  11.773   1.928
   18   2HG   GLN   0          2HG       GLN   3   5.284  10.210   2.721
   19   1HE2  GLN   0          1HE2      GLN   3   6.958  10.904  -0.989
   20   2HE2  GLN   0          2HE2      GLN   3   5.802  12.042  -0.306
   21    H    LYS   1           H        LYS   4   3.818  13.658   2.603
   22    HA   LYS   1           HA       LYS   4   2.464  15.307   0.672
   23   1HB   LYS   1          1HB       LYS   4   4.964  15.594   2.375
   24   2HB   LYS   1          2HB       LYS   4   4.593  16.773   1.118
   25   1HG   LYS   1          1HG       LYS   4   3.765  17.528   3.279
   26   2HG   LYS   1          2HG       LYS   4   2.460  17.325   2.104
   27   1HD   LYS   1          1HD       LYS   4   1.792  15.195   3.158
   28   2HD   LYS   1          2HD       LYS   4   3.166  15.301   4.286
   29   1HE   LYS   1          1HE       LYS   4   2.200  17.370   5.249
   30   2HE   LYS   1          2HE       LYS   4   0.874  17.309   4.070
   31   1HZ   LYS   1          1HZ       LYS   4   0.218  15.213   5.011
   32   2HZ   LYS   1          2HZ       LYS   4   1.428  15.291   6.127
   33   3HZ   LYS   1          3HZ       LYS   4   0.212  16.403   6.151
   34    H    SER   2           H        SER   5   3.334  16.141  -1.357
   35    HA   SER   2           HA       SER   5   4.313  14.084  -2.957
   36   1HB   SER   2          1HB       SER   5   4.467  17.050  -3.583
   37   2HB   SER   2          2HB       SER   5   4.284  15.710  -4.730
   38    HG   SER   2           HG       SER   5   2.259  15.263  -3.568
   39    HA   PRO   3           HA       PRO   6   8.712  13.937  -2.425
   40   1HB   PRO   3          1HB       PRO   6   8.773  14.209  -5.451
   41   2HB   PRO   3          2HB       PRO   6   9.767  13.147  -4.410
   42   1HG   PRO   3          1HG       PRO   6   7.579  12.131  -5.634
   43   2HG   PRO   3          2HG       PRO   6   7.874  11.761  -3.911
   44   1HD   PRO   3          1HD       PRO   6   5.949  13.771  -5.081
   45   2HD   PRO   3          2HD       PRO   6   5.748  12.640  -3.705
   46    H    ALA   4           H        ALA   7   7.670  16.352  -4.913
   47    HA   ALA   4           HA       ALA   7   9.889  18.032  -4.692
   48   1HB   ALA   4          1HB       ALA   7   8.229  18.181  -6.521
   49   2HB   ALA   4          2HB       ALA   7   7.018  18.789  -5.367
   50   3HB   ALA   4          3HB       ALA   7   8.460  19.757  -5.739
   51    H    GLU   5           H        GLU   8   7.013  18.043  -2.867
   52    HA   GLU   5           HA       GLU   8   7.460  20.487  -1.371
   53   1HB   GLU   5          1HB       GLU   8   5.828  18.033  -0.555
   54   2HB   GLU   5          2HB       GLU   8   5.793  19.609   0.235
   55   1HG   GLU   5          1HG       GLU   8   4.926  20.662  -1.806
   56   2HG   GLU   5          2HG       GLU   8   4.990  19.122  -2.671
   57    H    LEU   6           H        LEU   9   7.917  17.030  -0.614
   58    HA   LEU   6           HA       LEU   9   9.259  17.396   1.846
   59   1HB   LEU   6          1HB       LEU   9   9.457  15.168  -0.219
   60   2HB   LEU   6          2HB       LEU   9  10.194  15.066   1.374
   61    HG   LEU   6           HG       LEU   9   7.205  15.366   0.851
   62   1HD1  LEU   6          1HD1      LEU   9   8.110  13.166   0.205
   63   2HD1  LEU   6          2HD1      LEU   9   8.882  13.002   1.798
   64   3HD1  LEU   6          3HD1      LEU   9   7.115  13.043   1.670
   65   1HD2  LEU   6          1HD2      LEU   9   8.795  15.028   3.439
   66   2HD2  LEU   6          2HD2      LEU   9   7.704  16.370   3.022
   67   3HD2  LEU   6          3HD2      LEU   9   7.048  14.761   3.307
   68    H    LYS   7           H        LYS  10  10.487  17.207  -1.313
   69    HA   LYS   7           HA       LYS  10  13.265  17.368  -0.749
   70   1HB   LYS   7          1HB       LYS  10  12.215  16.700  -2.932
   71   2HB   LYS   7          2HB       LYS  10  11.985  18.414  -3.300
   72   1HG   LYS   7          1HG       LYS  10  14.367  18.795  -3.325
   73   2HG   LYS   7          2HG       LYS  10  14.695  17.243  -2.528
   74   1HD   LYS   7          1HD       LYS  10  13.791  16.018  -4.474
   75   2HD   LYS   7          2HD       LYS  10  13.553  17.546  -5.339
   76   1HE   LYS   7          1HE       LYS  10  16.247  16.530  -4.281
   77   2HE   LYS   7          2HE       LYS  10  15.664  16.277  -5.933
   78   1HZ   LYS   7          1HZ       LYS  10  15.592  18.633  -6.232
   79   2HZ   LYS   7          2HZ       LYS  10  16.134  18.901  -4.699
   80   3HZ   LYS   7          3HZ       LYS  10  17.105  18.148  -5.797
   81    H    SER   8           H        SER  11  10.845  19.955  -1.376
   82    HA   SER   8           HA       SER  11  12.680  22.131  -1.255
   83   1HB   SER   8          1HB       SER  11   9.733  22.095  -0.464
   84   2HB   SER   8          2HB       SER  11  10.718  23.522  -0.828
   85    HG   SER   8           HG       SER  11  10.155  21.377  -2.622
   86    H    ILE   9           H        ILE  12  10.602  20.717   1.341
   87    HA   ILE   9           HA       ILE  12  11.565  22.394   3.440
   88    HB   ILE   9           HB       ILE  12  10.500  19.541   3.567
   89   1HG1  ILE   9          1HG1      ILE  12   9.017  22.165   4.065
   90   2HG1  ILE   9          2HG1      ILE  12   8.982  21.329   2.515
   91   1HG2  ILE   9          1HG2      ILE  12  11.721  20.214   5.653
   92   2HG2  ILE   9          2HG2      ILE  12  10.700  21.654   5.768
   93   3HG2  ILE   9          3HG2      ILE  12   9.998  20.033   5.939
   94   1HD1  ILE   9          1HD1      ILE  12   8.061  19.296   3.618
   95   2HD1  ILE   9          2HD1      ILE  12   7.926  20.217   5.136
   96   3HD1  ILE   9          3HD1      ILE  12   7.010  20.722   3.710
   97    H    PHE  10           H        PHE  13  12.579  19.162   2.381
   98    HA   PHE  10           HA       PHE  13  14.714  18.634   4.100
   99   1HB   PHE  10          1HB       PHE  13  13.826  16.984   2.651
  100   2HB   PHE  10          2HB       PHE  13  14.068  17.980   1.230
  101    HD1  PHE  10           HD1      PHE  13  15.689  15.657   3.529
  102    HD2  PHE  10           HD2      PHE  13  16.090  18.111   0.016
  103    HE1  PHE  10           HE1      PHE  13  17.685  14.344   2.816
  104    HE2  PHE  10           HE2      PHE  13  18.082  16.814  -0.673
  105    HZ   PHE  10           HZ       PHE  13  18.901  14.967   0.776
  106    H    GLU  11           H        GLU  14  14.827  20.356   0.922
  107    HA   GLU  11           HA       GLU  14  17.588  20.941   0.959
  108   1HB   GLU  11          1HB       GLU  14  15.223  22.209  -0.439
  109   2HB   GLU  11          2HB       GLU  14  16.856  22.885  -0.579
  110   1HG   GLU  11          1HG       GLU  14  17.764  20.790  -1.376
  111   2HG   GLU  11          2HG       GLU  14  16.216  19.970  -1.173
  112    H    LYS  12           H        LYS  15  14.804  22.832   2.239
  113    HA   LYS  12           HA       LYS  15  16.270  25.092   2.997
  114   1HB   LYS  12          1HB       LYS  15  13.805  24.946   3.042
  115   2HB   LYS  12          2HB       LYS  15  13.881  23.869   4.439
  116   1HG   LYS  12          1HG       LYS  15  13.313  26.117   5.120
  117   2HG   LYS  12          2HG       LYS  15  14.861  25.626   5.820
  118   1HD   LYS  12          1HD       LYS  15  16.089  26.993   4.183
  119   2HD   LYS  12          2HD       LYS  15  14.592  27.323   3.291
  120   1HE   LYS  12          1HE       LYS  15  15.219  29.252   4.652
  121   2HE   LYS  12          2HE       LYS  15  13.701  28.565   5.251
  122   1HZ   LYS  12          2HZ       LYS  15  16.368  28.077   6.391
  123   2HZ   LYS  12          3HZ       LYS  15  15.232  29.099   7.010
  124   3HZ   LYS  12          1HZ       LYS  15  14.948  27.477   6.973
  125    OH   TYR  13           OH       TYR  16  12.841  21.222  10.706
  126    H    TYR  13           H        TYR  16  15.968  21.958   4.680
  127    HA   TYR  13           HA       TYR  16  17.463  22.844   7.046
  128   1HB   TYR  13          1HB       TYR  16  16.600  20.127   5.958
  129   2HB   TYR  13          2HB       TYR  16  17.764  20.299   7.271
  130    HD1  TYR  13           HD2      TYR  16  14.510  22.114   6.580
  131    HD2  TYR  13           HD1      TYR  16  16.692  19.432   9.206
  132    HE1  TYR  13           HE2      TYR  16  12.741  22.264   8.276
  133    HE2  TYR  13           HE1      TYR  16  15.137  19.826  10.912
  134    HH   TYR  13           HH       TYR  16  12.982  20.653  11.466
  135    H    ALA  14           H        ALA  17  18.137  20.623   4.344
  136    HA   ALA  14           HA       ALA  17  20.778  20.014   4.811
  137   1HB   ALA  14          2HB       ALA  17  19.295  20.395   2.185
  138   2HB   ALA  14          3HB       ALA  17  20.893  19.665   2.348
  139   3HB   ALA  14          1HB       ALA  17  19.486  18.891   3.137
  140    H    ALA  15           H        ALA  18  19.538  22.992   3.285
  141    HA   ALA  15           HA       ALA  18  21.945  23.966   2.213
  142   1HB   ALA  15          1HB       ALA  18  19.771  24.926   1.731
  143   2HB   ALA  15          2HB       ALA  18  19.612  25.502   3.412
  144   3HB   ALA  15          3HB       ALA  18  20.869  26.178   2.346
  145    H    LYS  16           H        LYS  19  21.185  23.597   5.609
  146    HA   LYS  16           HA       LYS  19  23.035  25.618   6.553
  147   1HB   LYS  16          1HB       LYS  19  21.953  23.088   7.843
  148   2HB   LYS  16          2HB       LYS  19  22.881  24.345   8.684
  149   1HG   LYS  16          1HG       LYS  19  21.145  26.029   8.030
  150   2HG   LYS  16          2HG       LYS  19  20.161  24.738   7.341
  151   1HD   LYS  16          1HD       LYS  19  21.005  25.001  10.266
  152   2HD   LYS  16          2HD       LYS  19  19.404  25.352   9.590
  153   1HE   LYS  16          1HE       LYS  19  19.264  22.927   8.845
  154   2HE   LYS  16          2HE       LYS  19  20.765  22.628   9.743
  155   1HZ   LYS  16          1HZ       LYS  19  19.660  23.354  11.726
  156   2HZ   LYS  16          2HZ       LYS  19  18.263  23.629  10.897
  157   3HZ   LYS  16          3HZ       LYS  19  18.849  22.097  11.035
  158    H    GLU  17           H        GLU  20  23.391  22.404   5.200
  159    HA   GLU  17           HA       GLU  20  26.143  22.049   6.188
  160   1HB   GLU  17          1HB       GLU  20  24.498  20.282   4.323
  161   2HB   GLU  17          2HB       GLU  20  25.983  19.857   5.189
  162   1HG   GLU  17          1HG       GLU  20  24.727  20.310   7.362
  163   2HG   GLU  17          2HG       GLU  20  23.249  20.446   6.390
  164    H    GLY  18           H        GLY  21  27.676  21.193   4.384
  165   1HA   GLY  18          1HA       GLY  21  28.440  23.298   2.735
  166   2HA   GLY  18          2HA       GLY  21  28.935  21.612   2.515
  167    H    ASP  19           H        ASP  22  26.825  20.243   1.631
  168    HA   ASP  19           HA       ASP  22  26.141  21.570  -0.919
  169   1HB   ASP  19          1HB       ASP  22  25.777  19.378  -1.804
  170   2HB   ASP  19          2HB       ASP  22  27.395  19.524  -1.110
  171    HA   PRO  20           HA       PRO  23  22.043  21.872   0.989
  172   1HB   PRO  20          1HB       PRO  23  20.721  23.265  -0.911
  173   2HB   PRO  20          2HB       PRO  23  22.085  23.974  -0.019
  174   1HG   PRO  20          1HG       PRO  23  22.229  22.649  -2.733
  175   2HG   PRO  20          2HG       PRO  23  22.790  24.289  -2.284
  176   1HD   PRO  20          1HD       PRO  23  24.480  22.170  -2.298
  177   2HD   PRO  20          2HD       PRO  23  24.603  23.416  -1.015
  178    H    ASN  21           H        ASN  24  22.444  19.252   0.348
  179    HA   ASN  21           HA       ASN  24  19.821  18.566  -0.576
  180   1HB   ASN  21          1HB       ASN  24  21.620  18.830  -2.708
  181   2HB   ASN  21          2HB       ASN  24  21.602  17.097  -2.435
  182   1HD2  ASN  21          1HD2      ASN  24  18.134  19.175  -3.507
  183   2HD2  ASN  21          2HD2      ASN  24  19.472  19.937  -2.655
  184    H    GLN  22           H        GLN  25  21.502  18.016   1.770
  185    HA   GLN  22           HA       GLN  25  20.594  15.293   2.147
  186   1HB   GLN  22          1HB       GLN  25  23.378  15.986   3.077
  187   2HB   GLN  22          2HB       GLN  25  22.606  14.421   2.942
  188   1HG   GLN  22          1HG       GLN  25  22.766  14.536   0.422
  189   2HG   GLN  22          2HG       GLN  25  23.627  16.072   0.589
  190   1HE2  GLN  22          1HE2      GLN  25  26.670  14.251   0.640
  191   2HE2  GLN  22          2HE2      GLN  25  25.748  15.627   0.022
  192    H    LEU  23           H        LEU  26  20.491  14.895   4.555
  193    HA   LEU  23           HA       LEU  26  21.561  17.127   6.007
  194   1HB   LEU  23          1HB       LEU  26  19.463  16.088   7.668
  195   2HB   LEU  23          2HB       LEU  26  19.713  17.723   7.044
  196    HG   LEU  23           HG       LEU  26  18.352  17.256   5.161
  197   1HD1  LEU  23          2HD1      LEU  26  18.069  14.503   6.519
  198   2HD1  LEU  23          3HD1      LEU  26  16.868  15.072   5.359
  199   3HD1  LEU  23          1HD1      LEU  26  18.531  14.778   4.841
  200   1HD2  LEU  23          2HD2      LEU  26  17.434  18.100   7.311
  201   2HD2  LEU  23          3HD2      LEU  26  16.244  17.257   6.315
  202   3HD2  LEU  23          1HD2      LEU  26  16.961  16.452   7.736
  203    H    SER  24           H        SER  27  22.512  16.600   8.039
  204    HA   SER  24           HA       SER  27  23.414  13.823   8.380
  205   1HB   SER  24          1HB       SER  27  24.848  15.892   8.757
  206   2HB   SER  24          2HB       SER  27  23.874  16.223  10.195
  207    HG   SER  24           HG       SER  27  25.447  13.917   9.622
  208    H    LYS  25           H        LYS  28  23.527  13.360  10.909
  209    HA   LYS  25           HA       LYS  28  21.079  12.252  11.644
  210   1HB   LYS  25          1HB       LYS  28  23.372  11.574  12.409
  211   2HB   LYS  25          2HB       LYS  28  23.389  12.964  13.504
  212   1HG   LYS  25          1HG       LYS  28  21.295  12.000  14.593
  213   2HG   LYS  25          2HG       LYS  28  21.504  10.573  13.541
  214   1HD   LYS  25          1HD       LYS  28  23.675  10.087  14.572
  215   2HD   LYS  25          2HD       LYS  28  23.604  11.595  15.501
  216   1HE   LYS  25          1HE       LYS  28  22.987   9.751  16.957
  217   2HE   LYS  25          2HE       LYS  28  21.562  10.769  16.686
  218   1HZ   LYS  25          1HZ       LYS  28  20.903   9.145  14.986
  219   2HZ   LYS  25          2HZ       LYS  28  22.190   8.198  15.420
  220   3HZ   LYS  25          3HZ       LYS  28  20.979   8.509  16.500
  221    H    GLU  26           H        GLU  29  22.639  15.116  13.177
  222    HA   GLU  26           HA       GLU  29  20.459  15.659  14.902
  223   1HB   GLU  26          1HB       GLU  29  23.037  16.651  14.624
  224   2HB   GLU  26          2HB       GLU  29  22.065  18.041  14.134
  225   1HG   GLU  26          1HG       GLU  29  21.791  16.453  16.735
  226   2HG   GLU  26          2HG       GLU  29  22.589  18.016  16.555
  227    H    GLU  27           H        GLU  30  21.132  16.767  11.583
  228    HA   GLU  27           HA       GLU  30  18.961  18.683  11.547
  229   1HB   GLU  27          1HB       GLU  30  20.490  17.360   9.294
  230   2HB   GLU  27          2HB       GLU  30  19.239  18.620   9.115
  231   1HG   GLU  27          1HG       GLU  30  20.585  20.080  10.687
  232   2HG   GLU  27          2HG       GLU  30  21.876  18.871  10.638
  233    H    LEU  28           H        LEU  31  19.233  15.200  10.566
  234    HA   LEU  28           HA       LEU  31  16.525  15.003   9.755
  235   1HB   LEU  28          1HB       LEU  31  18.587  13.026  10.735
  236   2HB   LEU  28          2HB       LEU  31  16.896  12.584  10.930
  237    HG   LEU  28           HG       LEU  31  18.333  13.048   8.338
  238   1HD1  LEU  28          1HD1      LEU  31  18.515  10.831   9.470
  239   2HD1  LEU  28          2HD1      LEU  31  16.747  10.751   9.603
  240   3HD1  LEU  28          3HD1      LEU  31  17.500  10.671   8.018
  241   1HD2  LEU  28          1HD2      LEU  31  15.326  12.766   8.847
  242   2HD2  LEU  28          2HD2      LEU  31  16.136  14.039   7.903
  243   3HD2  LEU  28          3HD2      LEU  31  16.087  12.399   7.286
  244    H    LYS  29           H        LYS  32  17.980  14.501  13.031
  245    HA   LYS  29           HA       LYS  32  15.641  13.835  14.394
  246   1HB   LYS  29          1HB       LYS  32  17.841  13.963  15.570
  247   2HB   LYS  29          2HB       LYS  32  17.889  15.692  15.316
  248   1HG   LYS  29          1HG       LYS  32  17.259  15.214  17.597
  249   2HG   LYS  29          2HG       LYS  32  15.973  16.071  16.762
  250   1HD   LYS  29          1HD       LYS  32  15.082  14.271  18.195
  251   2HD   LYS  29          2HD       LYS  32  14.678  13.982  16.506
  252   1HE   LYS  29          1HE       LYS  32  15.333  11.914  17.672
  253   2HE   LYS  29          2HE       LYS  32  16.412  12.258  16.323
  254   1HZ   LYS  29          2HZ       LYS  32  16.969  12.839  19.148
  255   2HZ   LYS  29          3HZ       LYS  32  17.592  11.586  18.275
  256   3HZ   LYS  29          1HZ       LYS  32  17.989  13.137  17.887
  257    H    GLN  30           H        GLN  33  16.872  17.173  13.873
  258    HA   GLN  30           HA       GLN  33  14.660  18.475  14.969
  259   1HB   GLN  30          1HB       GLN  33  16.557  19.268  12.722
  260   2HB   GLN  30          2HB       GLN  33  15.347  20.391  13.367
  261   1HG   GLN  30          1HG       GLN  33  16.340  20.437  15.517
  262   2HG   GLN  30          2HG       GLN  33  17.332  19.008  15.206
  263   1HE2  GLN  30          1HE2      GLN  33  19.869  20.696  13.393
  264   2HE2  GLN  30          2HE2      GLN  33  19.082  19.144  13.709
  265    H    LEU  31           H        LEU  34  15.210  17.556  11.493
  266    HA   LEU  31           HA       LEU  34  12.798  18.407  10.443
  267   1HB   LEU  31          1HB       LEU  34  14.856  17.364   9.265
  268   2HB   LEU  31          2HB       LEU  34  14.146  15.807   9.686
  269    HG   LEU  31           HG       LEU  34  12.006  16.704   8.452
  270   1HD1  LEU  31          1HD1      LEU  34  12.842  19.044   8.156
  271   2HD1  LEU  31          2HD1      LEU  34  14.191  18.427   7.185
  272   3HD1  LEU  31          3HD1      LEU  34  12.523  18.241   6.613
  273   1HD2  LEU  31          1HD2      LEU  34  14.593  15.871   7.085
  274   2HD2  LEU  31          2HD2      LEU  34  13.289  14.822   7.669
  275   3HD2  LEU  31          3HD2      LEU  34  13.011  15.922   6.296
  276    H    ILE  32           H        ILE  35  13.439  15.399  11.932
  277    HA   ILE  32           HA       ILE  35  10.812  14.291  11.601
  278    HB   ILE  32           HB       ILE  35  12.848  13.481  13.708
  279   1HG1  ILE  32          1HG1      ILE  35  13.927  12.954  11.679
  280   2HG1  ILE  32          2HG1      ILE  35  13.165  11.468  12.175
  281   1HG2  ILE  32          2HG2      ILE  35  10.300  12.149  12.724
  282   2HG2  ILE  32          3HG2      ILE  35  11.526  11.340  13.714
  283   3HG2  ILE  32          1HG2      ILE  35  10.644  12.717  14.366
  284   1HD1  ILE  32          1HD1      ILE  35  11.311  11.878  10.551
  285   2HD1  ILE  32          2HD1      ILE  35  12.148  13.358  10.008
  286   3HD1  ILE  32          3HD1      ILE  35  12.914  11.786   9.793
  287    H    GLN  33           H        GLN  36  12.238  15.797  14.331
  288    HA   GLN  33           HA       GLN  36   9.874  15.722  15.979
  289   1HB   GLN  33          1HB       GLN  36  12.098  17.806  16.037
  290   2HB   GLN  33          2HB       GLN  36  10.854  17.597  17.279
  291   1HG   GLN  33          1HG       GLN  36  12.993  15.563  16.547
  292   2HG   GLN  33          2HG       GLN  36  12.950  16.579  17.982
  293   1HE2  GLN  33          1HE2      GLN  36  10.667  13.161  17.755
  294   2HE2  GLN  33          2HE2      GLN  36  11.437  13.816  16.322
  295    H    ALA  34           H        ALA  37  10.941  18.122  13.565
  296    HA   ALA  34           HA       ALA  37   8.774  19.945  14.093
  297   1HB   ALA  34          1HB       ALA  37  10.881  20.661  13.101
  298   2HB   ALA  34          2HB       ALA  37  10.589  19.651  11.671
  299   3HB   ALA  34          3HB       ALA  37   9.525  21.033  12.019
  300    H    GLU  35           H        GLU  38   9.304  17.694  11.311
  301    HA   GLU  35           HA       GLU  38   6.566  18.192  10.369
  302   1HB   GLU  35          1HB       GLU  38   8.925  16.632   9.271
  303   2HB   GLU  35          2HB       GLU  38   7.313  16.550   8.562
  304   1HG   GLU  35          1HG       GLU  38   8.605  18.182   7.351
  305   2HG   GLU  35          2HG       GLU  38   7.274  18.979   8.194
  306    H    PHE  36           H        PHE  39   8.279  15.405  11.876
  307    HA   PHE  36           HA       PHE  39   5.662  13.956  11.897
  308   1HB   PHE  36          1HB       PHE  39   8.354  12.683  11.344
  309   2HB   PHE  36          2HB       PHE  39   6.776  11.946  11.166
  310    HD1  PHE  36           HD1      PHE  39   5.183  13.464   9.428
  311    HD2  PHE  36           HD2      PHE  39   9.492  13.272   9.404
  312    HE1  PHE  36           HE1      PHE  39   5.202  14.070   7.028
  313    HE2  PHE  36           HE2      PHE  39   9.505  13.897   7.016
  314    HZ   PHE  36           HZ       PHE  39   7.363  14.283   5.811
  315    HA   PRO  37           HA       PRO  40   7.862  13.933  16.029
  316   1HB   PRO  37          1HB       PRO  40   5.906  15.099  17.588
  317   2HB   PRO  37          2HB       PRO  40   7.241  15.942  16.789
  318   1HG   PRO  37          1HG       PRO  40   4.395  15.697  15.807
  319   2HG   PRO  37          2HG       PRO  40   5.473  17.116  15.783
  320   1HD   PRO  37          1HD       PRO  40   5.079  15.540  13.579
  321   2HD   PRO  37          2HD       PRO  40   6.656  16.307  13.920
  322    H    SER  38           H        SER  41   4.494  13.856  16.489
  323    HA   SER  38           HA       SER  41   4.066  11.750  18.110
  324   1HB   SER  38          1HB       SER  41   2.165  12.341  15.825
  325   2HB   SER  38          2HB       SER  41   1.797  11.936  17.515
  326    HG   SER  38           HG       SER  41   1.601  14.196  17.140
  327    H    LEU  39           H        LEU  42   4.389  11.533  14.573
  328    HA   LEU  39           HA       LEU  42   3.566   8.832  14.284
  329   1HB   LEU  39          1HB       LEU  42   5.554  10.355  12.564
  330   2HB   LEU  39          2HB       LEU  42   4.642   8.909  12.113
  331    HG   LEU  39           HG       LEU  42   3.513  11.697  12.630
  332   1HD1  LEU  39          1HD1      LEU  42   4.628  11.305  10.438
  333   2HD1  LEU  39          2HD1      LEU  42   3.530   9.945  10.138
  334   3HD1  LEU  39          3HD1      LEU  42   2.888  11.595  10.273
  335   1HD2  LEU  39          1HD2      LEU  42   2.041   9.085  12.046
  336   2HD2  LEU  39          2HD2      LEU  42   1.860  10.108  13.492
  337   3HD2  LEU  39          3HD2      LEU  42   1.319  10.703  11.920
  338    H    LEU  40           H        LEU  43   6.673  10.132  15.387
  339    HA   LEU  40           HA       LEU  43   7.619   7.313  15.642
  340   1HB   LEU  40          1HB       LEU  43   9.189   9.782  14.835
  341   2HB   LEU  40          2HB       LEU  43   9.943   8.256  15.322
  342    HG   LEU  40           HG       LEU  43   7.989   8.434  12.996
  343   1HD1  LEU  40          2HD1      LEU  43  11.033   8.594  12.966
  344   2HD1  LEU  40          3HD1      LEU  43  10.001   8.378  11.537
  345   3HD1  LEU  40          1HD1      LEU  43   9.886   9.866  12.483
  346   1HD2  LEU  40          1HD2      LEU  43  10.086   6.347  13.781
  347   2HD2  LEU  40          2HD2      LEU  43   8.331   6.141  13.931
  348   3HD2  LEU  40          3HD2      LEU  43   9.062   6.293  12.333
  349    H    LYS  41           H        LYS  44   6.824  10.049  17.328
  350    HA   LYS  41           HA       LYS  44   8.607   9.602  19.605
  351   1HB   LYS  41          1HB       LYS  44   6.130  11.275  19.136
  352   2HB   LYS  41          2HB       LYS  44   6.823  11.140  20.738
  353   1HG   LYS  41          1HG       LYS  44   8.365  12.096  18.290
  354   2HG   LYS  41          2HG       LYS  44   7.557  13.158  19.446
  355   1HD   LYS  41          1HD       LYS  44   9.942  11.336  20.020
  356   2HD   LYS  41          2HD       LYS  44   9.908  13.095  19.939
  357   1HE   LYS  41          1HE       LYS  44   8.316  13.119  21.896
  358   2HE   LYS  41          2HE       LYS  44   8.577  11.369  22.065
  359   1HZ   LYS  41          2HZ       LYS  44  10.664  13.419  22.204
  360   2HZ   LYS  41          3HZ       LYS  44  10.003  12.611  23.480
  361   3HZ   LYS  41          1HZ       LYS  44  10.892  11.793  22.359
  362    H    GLY  42           H        GLY  45   8.205   7.233  19.495
  363   1HA   GLY  42          1HA       GLY  45   6.577   6.404  21.717
  364   2HA   GLY  42          2HA       GLY  45   5.881   5.898  20.153
  365    HA   PRO  43           HA       PRO  46   9.384   2.954  21.303
  366   1HB   PRO  43          1HB       PRO  46   8.026   0.613  21.526
  367   2HB   PRO  43          2HB       PRO  46   8.022   1.828  22.831
  368   1HG   PRO  43          1HG       PRO  46   5.917   1.448  20.680
  369   2HG   PRO  43          2HG       PRO  46   5.663   1.539  22.448
  370   1HD   PRO  43          1HD       PRO  46   5.379   3.714  20.814
  371   2HD   PRO  43          2HD       PRO  46   6.050   3.880  22.463
  372    NH1  ARG  44           NH1      ARG  47   5.997   3.005  13.119
  373    NH2  ARG  44           NH2      ARG  47   5.939   5.276  12.657
  374    H    ARG  44           H        ARG  47   9.495   3.985  19.008
  375    HA   ARG  44           HA       ARG  47   9.394   1.861  16.939
  376   1HB   ARG  44          1HB       ARG  47   8.116   4.623  16.888
  377   2HB   ARG  44          2HB       ARG  47   8.681   3.879  15.387
  378   1HG   ARG  44          1HG       ARG  47   7.208   2.055  15.537
  379   2HG   ARG  44          2HG       ARG  47   6.855   2.329  17.240
  380   1HD   ARG  44          1HD       ARG  47   4.963   2.994  15.759
  381   2HD   ARG  44          2HD       ARG  47   5.554   4.256  16.838
  382    HE   ARG  44           HE       ARG  47   5.969   5.576  15.058
  383   1HH1  ARG  44          1HH1      ARG  47   6.015   2.260  13.800
  384   2HH1  ARG  44          2HH1      ARG  47   5.998   2.790  12.133
  385   1HH2  ARG  44          1HH2      ARG  47   5.870   6.218  13.036
  386   2HH2  ARG  44          2HH2      ARG  47   5.881   5.122  11.652
  387    H    THR  45           H        THR  48  10.778   2.606  15.043
  388    HA   THR  45           HA       THR  48  13.400   3.224  15.932
  389    HB   THR  45           HB       THR  48  12.400   3.301  13.063
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          1HG2      THR  48  14.840   3.692  13.735
  391   2HG2  THR  45          2HG2      THR  48  14.792   2.029  14.421
  392   3HG2  THR  45          3HG2      THR  48  14.585   2.259  12.691
  393    H    LEU  46           H        LEU  49  12.498   5.428  16.988
  394    HA   LEU  46           HA       LEU  49  12.096   7.613  15.261
  395   1HB   LEU  46          1HB       LEU  49  11.638   7.751  17.709
  396   2HB   LEU  46          2HB       LEU  49  13.361   7.546  18.046
  397    HG   LEU  46           HG       LEU  49  13.834   9.739  16.929
  398   1HD1  LEU  46          1HD1      LEU  49  11.852   9.854  15.434
  399   2HD1  LEU  46          2HD1      LEU  49  10.796  10.022  16.858
  400   3HD1  LEU  46          3HD1      LEU  49  11.982  11.284  16.463
  401   1HD2  LEU  46          1HD2      LEU  49  11.792   9.807  19.185
  402   2HD2  LEU  46          2HD2      LEU  49  13.548   9.600  19.360
  403   3HD2  LEU  46          3HD2      LEU  49  12.895  11.130  18.744
  404    H    ASP  47           H        ASP  50  15.191   6.282  16.506
  405    HA   ASP  47           HA       ASP  50  16.324   7.160  14.161
  406   1HB   ASP  47          1HB       ASP  50  18.040   8.534  14.864
  407   2HB   ASP  47          2HB       ASP  50  16.479   9.264  15.314
  408    H    ASP  48           H        ASP  51  16.864   5.458  13.730
  409    HA   ASP  48           HA       ASP  51  19.278   4.097  14.651
  410   1HB   ASP  48          1HB       ASP  51  18.034   2.823  16.093
  411   2HB   ASP  48          2HB       ASP  51  16.572   2.884  15.137
  412    H    LEU  49           H        LEU  52  16.380   3.364  12.545
  413    HA   LEU  49           HA       LEU  52  18.089   2.523  10.380
  414   1HB   LEU  49          1HB       LEU  52  16.185   2.482   8.964
  415   2HB   LEU  49          2HB       LEU  52  15.779   1.827  10.540
  416    HG   LEU  49           HG       LEU  52  14.749   4.224  11.000
  417   1HD1  LEU  49          2HD1      LEU  52  14.716   4.088   7.937
  418   2HD1  LEU  49          3HD1      LEU  52  13.763   5.206   8.925
  419   3HD1  LEU  49          1HD1      LEU  52  15.514   5.349   8.876
  420   1HD2  LEU  49          1HD2      LEU  52  13.490   2.223   9.073
  421   2HD2  LEU  49          2HD2      LEU  52  13.444   2.109  10.831
  422   3HD2  LEU  49          3HD2      LEU  52  12.611   3.438  10.022
  423    H    PHE  50           H        PHE  53  16.580   5.471  11.310
  424    HA   PHE  50           HA       PHE  53  17.137   7.452   9.511
  425   1HB   PHE  50          1HB       PHE  53  15.990   7.476  11.749
  426   2HB   PHE  50          2HB       PHE  53  17.585   7.342  12.504
  427    HD1  PHE  50           HD1      PHE  53  19.315   9.374  11.778
  428    HD2  PHE  50           HD2      PHE  53  14.998   9.484  12.131
  429    HE1  PHE  50           HE1      PHE  53  19.446  11.404  13.144
  430    HE2  PHE  50           HE2      PHE  53  15.182  11.460  13.567
  431    HZ   PHE  50           HZ       PHE  53  17.439  12.334  14.179
  432    H    GLN  51           H        GLN  54  19.366   6.096  12.006
  433    HA   GLN  51           HA       GLN  54  21.542   7.805  11.335
  434   1HB   GLN  51          1HB       GLN  54  21.165   6.676  13.536
  435   2HB   GLN  51          2HB       GLN  54  21.636   5.134  12.800
  436   1HG   GLN  51          1HG       GLN  54  23.875   6.037  12.288
  437   2HG   GLN  51          2HG       GLN  54  23.375   7.642  12.844
  438   1HE2  GLN  51          1HE2      GLN  54  24.117   4.705  15.648
  439   2HE2  GLN  51          2HE2      GLN  54  23.737   4.238  14.000
  440    H    GLU  52           H        GLU  55  20.755   4.390  10.534
  441    HA   GLU  52           HA       GLU  55  23.052   3.837   9.005
  442   1HB   GLU  52          1HB       GLU  55  21.293   2.182   9.726
  443   2HB   GLU  52          2HB       GLU  55  20.221   2.823   8.472
  444   1HG   GLU  52          1HG       GLU  55  21.297   0.778   7.704
  445   2HG   GLU  52          2HG       GLU  55  21.831   2.143   6.719
  446    H    LEU  53           H        LEU  56  20.060   5.527   8.105
  447    HA   LEU  53           HA       LEU  56  20.623   5.758   5.312
  448   1HB   LEU  53          1HB       LEU  56  18.868   7.401   7.146
  449   2HB   LEU  53          2HB       LEU  56  18.923   7.608   5.408
  450    HG   LEU  53           HG       LEU  56  18.158   4.992   6.776
  451   1HD1  LEU  53          1HD1      LEU  56  16.538   6.814   7.197
  452   2HD1  LEU  53          2HD1      LEU  56  16.460   7.109   5.444
  453   3HD1  LEU  53          3HD1      LEU  56  15.858   5.579   6.118
  454   1HD2  LEU  53          1HD2      LEU  56  17.944   5.846   3.863
  455   2HD2  LEU  53          2HD2      LEU  56  18.991   4.556   4.508
  456   3HD2  LEU  53          3HD2      LEU  56  17.241   4.379   4.562
  457    H    ASP  54           H        ASP  57  22.213   7.452   7.936
  458    HA   ASP  54           HA       ASP  57  23.065   9.836   6.394
  459   1HB   ASP  54          1HB       ASP  57  24.152   8.502   8.901
  460   2HB   ASP  54          2HB       ASP  57  24.795   9.954   8.152
  461    H    LYS  55           H        LYS  58  23.438   8.164   4.434
  462    HA   LYS  55           HA       LYS  58  25.567   6.287   4.595
  463   1HB   LYS  55          1HB       LYS  58  24.632   7.780   2.122
  464   2HB   LYS  55          2HB       LYS  58  25.657   6.329   2.182
  465   1HG   LYS  55          1HG       LYS  58  23.738   5.186   3.463
  466   2HG   LYS  55          2HG       LYS  58  22.736   6.567   3.017
  467   1HD   LYS  55          1HD       LYS  58  24.112   4.590   1.136
  468   2HD   LYS  55          2HD       LYS  58  22.383   4.758   1.439
  469   1HE   LYS  55          1HE       LYS  58  22.699   7.220   0.548
  470   2HE   LYS  55          2HE       LYS  58  24.244   6.624  -0.071
  471   1HZ   LYS  55          1HZ       LYS  58  23.031   4.960  -1.293
  472   2HZ   LYS  55          2HZ       LYS  58  21.597   5.530  -0.702
  473   3HZ   LYS  55          3HZ       LYS  58  22.507   6.473  -1.694
  474    H    ASN  56           H        ASN  59  27.688   6.550   4.788
  475    HA   ASN  56           HA       ASN  59  28.886   9.151   4.978
  476   1HB   ASN  56          1HB       ASN  59  29.683   7.247   6.272
  477   2HB   ASN  56          2HB       ASN  59  30.145   6.381   4.798
  478   1HD2  ASN  56          1HD2      ASN  59  33.206   8.155   4.405
  479   2HD2  ASN  56          2HD2      ASN  59  32.096   7.011   3.675
  480    H    GLY  57           H        GLY  60  28.694   6.778   2.338
  481   1HA   GLY  57          1HA       GLY  60  30.713   7.732   0.626
  482   2HA   GLY  57          2HA       GLY  60  29.195   6.982   0.097
  483    H    ASP  58           H        ASP  61  27.327   8.815   1.019
  484    HA   ASP  58           HA       ASP  61  27.587  11.013  -0.919
  485   1HB   ASP  58          1HB       ASP  61  25.372  10.232   1.044
  486   2HB   ASP  58          2HB       ASP  61  25.308  11.570  -0.104
  487    H    GLY  59           H        GLY  62  27.416  10.479   2.567
  488   1HA   GLY  59          1HA       GLY  62  29.015  11.978   3.850
  489   2HA   GLY  59          2HA       GLY  62  28.009  13.313   3.243
  490    H    GLU  60           H        GLU  63  25.539  12.596   3.337
  491    HA   GLU  60           HA       GLU  63  24.788  11.626   6.097
  492   1HB   GLU  60          1HB       GLU  63  23.600  14.053   4.926
  493   2HB   GLU  60          2HB       GLU  63  23.593  13.235   6.505
  494   1HG   GLU  60          1HG       GLU  63  25.937  14.727   5.187
  495   2HG   GLU  60          2HG       GLU  63  24.918  15.387   6.454
  496    H    VAL  61           H        VAL  64  22.059  12.630   5.508
  497    HA   VAL  61           HA       VAL  64  21.017  10.359   3.976
  498    HB   VAL  61           HB       VAL  64  19.646  12.587   5.555
  499   1HG1  VAL  61          1HG1      VAL  64  18.143  11.360   3.999
  500   2HG1  VAL  61          2HG1      VAL  64  18.602   9.840   4.799
  501   3HG1  VAL  61          3HG1      VAL  64  17.742  11.096   5.699
  502   1HG2  VAL  61          2HG2      VAL  64  21.239  11.251   6.986
  503   2HG2  VAL  61          3HG2      VAL  64  19.569  11.148   7.448
  504   3HG2  VAL  61          1HG2      VAL  64  20.298   9.803   6.571
  505    H    SER  62           H        SER  65  21.508  10.866   1.855
  506    HA   SER  62           HA       SER  65  20.876  13.311   0.537
  507   1HB   SER  62          1HB       SER  65  21.061  10.435  -0.436
  508   2HB   SER  62          2HB       SER  65  21.064  11.866  -1.508
  509    HG   SER  62           HG       SER  65  23.192  11.163  -0.975
  510    H    PHE  63           H        PHE  66  19.142  13.470  -1.236
  511    HA   PHE  63           HA       PHE  66  16.645  13.423  -0.031
  512   1HB   PHE  63          1HB       PHE  66  17.172  14.803  -2.000
  513   2HB   PHE  63          2HB       PHE  66  17.175  13.365  -3.019
  514    HD1  PHE  63           HD2      PHE  66  14.984  15.085  -0.463
  515    HD2  PHE  63           HD1      PHE  66  15.137  12.787  -4.115
  516    HE1  PHE  63           HE2      PHE  66  12.507  14.985  -0.517
  517    HE2  PHE  63           HE1      PHE  66  12.665  12.770  -4.201
  518    HZ   PHE  63           HZ       PHE  66  11.345  13.867  -2.396
  519    H    GLU  64           H        GLU  67  17.931  10.925  -2.261
  520    HA   GLU  64           HA       GLU  67  15.622   9.311  -2.329
  521   1HB   GLU  64          1HB       GLU  67  17.125   7.469  -2.937
  522   2HB   GLU  64          2HB       GLU  67  17.468   8.952  -3.832
  523   1HG   GLU  64          1HG       GLU  67  19.418   9.388  -2.274
  524   2HG   GLU  64          2HG       GLU  67  19.070   7.833  -1.490
  525    H    GLU  65           H        GLU  68  18.330   9.285  -0.002
  526    HA   GLU  65           HA       GLU  68  17.412   7.139   1.611
  527   1HB   GLU  65          1HB       GLU  68  19.102   9.552   2.433
  528   2HB   GLU  65          2HB       GLU  68  18.977   8.019   3.285
  529   1HG   GLU  65          1HG       GLU  68  20.193   8.395   0.526
  530   2HG   GLU  65          2HG       GLU  68  21.040   8.135   2.050
  531    H    PHE  66           H        PHE  69  16.863  10.674   1.774
  532    HA   PHE  66           HA       PHE  69  15.311  10.588   4.145
  533   1HB   PHE  66          1HB       PHE  69  16.185  12.683   3.337
  534   2HB   PHE  66          2HB       PHE  69  15.264  12.555   1.834
  535    HD1  PHE  66           HD2      PHE  69  14.254  12.047   5.453
  536    HD2  PHE  66           HD1      PHE  69  13.715  14.342   1.831
  537    HE1  PHE  66           HE2      PHE  69  12.192  12.995   6.367
  538    HE2  PHE  66           HE1      PHE  69  11.786  15.495   2.883
  539    HZ   PHE  66           HZ       PHE  69  10.932  14.736   5.082
  540    H    GLN  67           H        GLN  70  14.241  10.447   0.667
  541    HA   GLN  67           HA       GLN  70  11.520  10.167   1.339
  542   1HB   GLN  67          1HB       GLN  70  13.117   9.806  -1.091
  543   2HB   GLN  67          2HB       GLN  70  11.813   8.622  -1.012
  544   1HG   GLN  67          1HG       GLN  70  11.380  11.596  -0.545
  545   2HG   GLN  67          2HG       GLN  70  11.272  10.835  -2.131
  546   1HE2  GLN  67          1HE2      GLN  70   8.340   9.201   0.216
  547   2HE2  GLN  67          2HE2      GLN  70  10.005   8.899   0.643
  548    H    VAL  68           H        VAL  71  14.091   7.682   1.095
  549    HA   VAL  68           HA       VAL  71  12.409   5.425   1.529
  550    HB   VAL  68           HB       VAL  71  15.343   5.970   2.100
  551   1HG1  VAL  68          2HG1      VAL  71  13.814   3.396   2.582
  552   2HG1  VAL  68          3HG1      VAL  71  15.584   3.519   2.474
  553   3HG1  VAL  68          1HG1      VAL  71  14.730   4.348   3.781
  554   1HG2  VAL  68          2HG2      VAL  71  14.521   5.708  -0.282
  555   2HG2  VAL  68          3HG2      VAL  71  15.680   4.468   0.222
  556   3HG2  VAL  68          1HG2      VAL  71  13.947   4.091   0.150
  557    H    LEU  69           H        LEU  72  14.063   7.596   3.894
  558    HA   LEU  69           HA       LEU  72  13.156   6.351   6.254
  559   1HB   LEU  69          1HB       LEU  72  14.757   8.258   6.167
  560   2HB   LEU  69          2HB       LEU  72  13.462   9.375   5.802
  561    HG   LEU  69           HG       LEU  72  13.255   7.637   8.247
  562   1HD1  LEU  69          1HD1      LEU  72  15.515   8.669   8.319
  563   2HD1  LEU  69          2HD1      LEU  72  14.789  10.263   8.043
  564   3HD1  LEU  69          3HD1      LEU  72  14.453   9.376   9.545
  565   1HD2  LEU  69          1HD2      LEU  72  12.302  10.475   7.630
  566   2HD2  LEU  69          2HD2      LEU  72  11.266   9.044   7.774
  567   3HD2  LEU  69          3HD2      LEU  72  12.110   9.639   9.185
  568    H    VAL  70           H        VAL  73  11.680   9.028   4.437
  569    HA   VAL  70           HA       VAL  73   9.357   9.331   5.908
  570    HB   VAL  70           HB       VAL  73   9.814   9.776   2.944
  571   1HG1  VAL  70          2HG1      VAL  73   7.450  10.660   4.653
  572   2HG1  VAL  70          3HG1      VAL  73   7.809  11.218   3.010
  573   3HG1  VAL  70          1HG1      VAL  73   7.400   9.524   3.287
  574   1HG2  VAL  70          2HG2      VAL  73  11.147  11.139   4.588
  575   2HG2  VAL  70          3HG2      VAL  73  10.035  12.117   3.627
  576   3HG2  VAL  70          1HG2      VAL  73   9.632  11.704   5.305
  577    H    LYS  71           H        LYS  74   9.801   7.120   3.072
  578    HA   LYS  71           HA       LYS  74   7.177   6.027   3.155
  579   1HB   LYS  71          1HB       LYS  74   9.832   4.758   2.373
  580   2HB   LYS  71          2HB       LYS  74   8.284   3.960   2.149
  581   1HG   LYS  71          1HG       LYS  74   9.097   6.626   0.904
  582   2HG   LYS  71          2HG       LYS  74   9.145   5.074   0.091
  583   1HD   LYS  71          1HD       LYS  74   6.676   6.592   1.055
  584   2HD   LYS  71          2HD       LYS  74   7.190   6.335  -0.601
  585   1HE   LYS  71          1HE       LYS  74   6.171   4.196   1.326
  586   2HE   LYS  71          2HE       LYS  74   5.346   4.848  -0.096
  587   1HZ   LYS  71          1HZ       LYS  74   7.082   3.934  -1.458
  588   2HZ   LYS  71          2HZ       LYS  74   7.839   3.305  -0.135
  589   3HZ   LYS  71          3HZ       LYS  74   6.348   2.756  -0.569
  590    H    LYS  72           H        LYS  75  10.178   4.895   4.850
  591    HA   LYS  72           HA       LYS  75   8.888   2.816   6.266
  592   1HB   LYS  72          1HB       LYS  75  11.400   4.415   6.794
  593   2HB   LYS  72          2HB       LYS  75  10.916   3.028   7.779
  594   1HG   LYS  72          1HG       LYS  75  11.092   1.494   6.002
  595   2HG   LYS  72          2HG       LYS  75  11.077   2.755   4.751
  596   1HD   LYS  72          1HD       LYS  75  13.193   3.594   5.386
  597   2HD   LYS  72          2HD       LYS  75  13.283   2.541   6.816
  598   1HE   LYS  72          1HE       LYS  75  13.284   0.523   5.369
  599   2HE   LYS  72          2HE       LYS  75  13.247   1.550   3.928
  600   1HZ   LYS  72          1HZ       LYS  75  15.357   2.464   4.632
  601   2HZ   LYS  72          2HZ       LYS  75  15.374   1.487   5.957
  602   3HZ   LYS  72          3HZ       LYS  75  15.453   0.831   4.449
  603    H    ILE  73           H        ILE  76   8.423   6.242   6.825
  604    HA   ILE  73           HA       ILE  76   7.985   6.112   9.652
  605    HB   ILE  73           HB       ILE  76   6.389   7.768   7.653
  606   1HG1  ILE  73          1HG1      ILE  76   8.896   8.689   9.152
  607   2HG1  ILE  73          2HG1      ILE  76   8.873   8.140   7.527
  608   1HG2  ILE  73          1HG2      ILE  76   5.347   7.635   9.900
  609   2HG2  ILE  73          2HG2      ILE  76   6.878   8.142  10.640
  610   3HG2  ILE  73          3HG2      ILE  76   5.953   9.245   9.604
  611   1HD1  ILE  73          1HD1      ILE  76   7.251   9.989   6.942
  612   2HD1  ILE  73          2HD1      ILE  76   7.342  10.556   8.621
  613   3HD1  ILE  73          3HD1      ILE  76   8.775  10.601   7.614
  614    H    SER  74           H        SER  77   6.056   5.146   6.811
  615    HA   SER  74           HA       SER  77   4.387   3.314   8.336
  616   1HB   SER  74          1HB       SER  77   2.247   4.454   7.850
  617   2HB   SER  74          2HB       SER  77   3.229   5.352   9.005
  618    HG   SER  74           HG       SER  77   3.959   6.656   7.246
  619    H    GLN  75           H        GLN  78   3.060   4.930   5.581
  620    HA   GLN  75           HA       GLN  78   4.271   3.102   3.680
  621   1HB   GLN  75          1HB       GLN  78   1.561   2.449   3.267
  622   2HB   GLN  75          2HB       GLN  78   2.892   1.418   3.752
  623   1HG   GLN  75          1HG       GLN  78   1.121   1.032   5.256
  624   2HG   GLN  75          2HG       GLN  78   2.384   1.858   6.165
  625   1HE2  GLN  75          1HE2      GLN  78  -0.492   3.672   7.361
  626   2HE2  GLN  75          2HE2      GLN  78   0.550   2.303   7.702
   
  No H/Q in entry =         627
  Start of MODEL           9
 Raw file had 628 H/Q atoms
  Start of MODEL    9
    1   1H    SER  -2           1H       SER   1  -1.919  11.024   3.126
    2   2H    SER  -2           2H       SER   1  -0.401  10.608   2.670
    3   3H    SER  -2           3H       SER   1  -1.086   9.822   3.971
    4    HA   SER  -2           HA       SER   1  -1.104  11.909   5.170
    5   1HB   SER  -2          1HB       SER   1   1.756  11.821   4.410
    6   2HB   SER  -2          2HB       SER   1   0.984  11.438   5.951
    7    HG   SER  -2           HG       SER   1   0.590   9.365   5.194
    8    H    ALA  -1           H        ALA   2   1.065  13.879   4.734
    9    HA   ALA  -1           HA       ALA   2  -0.327  15.588   2.832
   10   1HB   ALA  -1          1HB       ALA   2   0.519  16.423   4.987
   11   2HB   ALA  -1          2HB       ALA   2   2.183  16.039   4.489
   12   3HB   ALA  -1          3HB       ALA   2   1.252  17.279   3.619
   13    H    GLN   0           H        GLN   3   0.461  13.518   1.225
   14    HA   GLN   0           HA       GLN   3   3.102  14.087   0.033
   15   1HB   GLN   0          1HB       GLN   3   0.809  12.283  -0.865
   16   2HB   GLN   0          2HB       GLN   3   2.310  12.529  -1.756
   17   1HG   GLN   0          1HG       GLN   3   2.675  10.545  -0.608
   18   2HG   GLN   0          2HG       GLN   3   3.617  11.764   0.256
   19   1HE2  GLN   0          1HE2      GLN   3   2.164  10.147   3.120
   20   2HE2  GLN   0          2HE2      GLN   3   3.618  10.270   2.146
   21    H    LYS   1           H        LYS   4   2.381  16.457   0.004
   22    HA   LYS   1           HA       LYS   4   0.463  17.324  -1.870
   23   1HB   LYS   1          1HB       LYS   4   1.304  18.705   0.002
   24   2HB   LYS   1          2HB       LYS   4   2.891  18.789  -0.767
   25   1HG   LYS   1          1HG       LYS   4   1.602  20.851  -1.075
   26   2HG   LYS   1          2HG       LYS   4   1.964  20.092  -2.632
   27   1HD   LYS   1          1HD       LYS   4  -0.343  19.240  -2.792
   28   2HD   LYS   1          2HD       LYS   4  -0.682  19.764  -1.133
   29   1HE   LYS   1          1HE       LYS   4  -1.656  21.326  -2.733
   30   2HE   LYS   1          2HE       LYS   4  -0.373  22.133  -1.818
   31   1HZ   LYS   1          2HZ       LYS   4  -0.096  21.002  -4.519
   32   2HZ   LYS   1          3HZ       LYS   4  -0.272  22.601  -4.162
   33   3HZ   LYS   1          1HZ       LYS   4   1.081  21.796  -3.680
   34    H    SER   2           H        SER   5   3.791  16.772  -2.185
   35    HA   SER   2           HA       SER   5   3.862  16.017  -4.875
   36   1HB   SER   2          1HB       SER   5   3.374  18.137  -5.755
   37   2HB   SER   2          2HB       SER   5   4.201  18.993  -4.447
   38    HG   SER   2           HG       SER   5   5.290  19.001  -6.521
   39    HA   PRO   3           HA       PRO   6   7.911  14.915  -3.347
   40   1HB   PRO   3          1HB       PRO   6   9.367  14.637  -5.676
   41   2HB   PRO   3          2HB       PRO   6   8.169  13.445  -5.099
   42   1HG   PRO   3          1HG       PRO   6   7.744  15.647  -7.134
   43   2HG   PRO   3          2HG       PRO   6   7.281  13.927  -7.266
   44   1HD   PRO   3          1HD       PRO   6   5.479  15.786  -6.524
   45   2HD   PRO   3          2HD       PRO   6   5.502  14.203  -5.698
   46    H    ALA   4           H        ALA   7   7.556  17.538  -5.788
   47    HA   ALA   4           HA       ALA   7  10.057  18.768  -5.199
   48   1HB   ALA   4          1HB       ALA   7   8.770  19.228  -7.282
   49   2HB   ALA   4          2HB       ALA   7   7.513  20.032  -6.311
   50   3HB   ALA   4          3HB       ALA   7   9.147  20.722  -6.400
   51    H    GLU   5           H        GLU   8   6.963  18.989  -3.843
   52    HA   GLU   5           HA       GLU   8   7.446  21.269  -2.113
   53   1HB   GLU   5          1HB       GLU   8   5.191  20.349  -2.868
   54   2HB   GLU   5          2HB       GLU   8   5.352  19.110  -1.612
   55   1HG   GLU   5          1HG       GLU   8   5.411  22.145  -1.199
   56   2HG   GLU   5          2HG       GLU   8   3.998  21.117  -0.953
   57    H    LEU   6           H        LEU   9   7.409  17.703  -1.604
   58    HA   LEU   6           HA       LEU   9   8.401  17.791   1.047
   59   1HB   LEU   6          1HB       LEU   9   8.751  15.643  -1.073
   60   2HB   LEU   6          2HB       LEU   9   9.132  15.416   0.638
   61    HG   LEU   6           HG       LEU   9   6.344  16.087  -0.418
   62   1HD1  LEU   6          1HD1      LEU   9   7.101  13.857  -1.163
   63   2HD1  LEU   6          2HD1      LEU   9   7.507  13.432   0.515
   64   3HD1  LEU   6          3HD1      LEU   9   5.818  13.732   0.052
   65   1HD2  LEU   6          1HD2      LEU   9   7.312  15.258   2.350
   66   2HD2  LEU   6          2HD2      LEU   9   6.591  16.821   1.902
   67   3HD2  LEU   6          3HD2      LEU   9   5.612  15.356   1.846
   68    H    LYS   7           H        LYS  10  10.031  17.830  -1.937
   69    HA   LYS   7           HA       LYS  10  12.718  17.709  -0.932
   70   1HB   LYS   7          1HB       LYS  10  12.203  17.318  -3.295
   71   2HB   LYS   7          2HB       LYS  10  11.770  19.016  -3.508
   72   1HG   LYS   7          1HG       LYS  10  13.956  19.790  -3.070
   73   2HG   LYS   7          2HG       LYS  10  14.517  18.242  -2.436
   74   1HD   LYS   7          1HD       LYS  10  13.520  18.336  -5.290
   75   2HD   LYS   7          2HD       LYS  10  15.066  19.103  -4.915
   76   1HE   LYS   7          1HE       LYS  10  15.420  16.788  -5.643
   77   2HE   LYS   7          2HE       LYS  10  15.976  17.041  -3.983
   78   1HZ   LYS   7          2HZ       LYS  10  13.429  15.800  -4.756
   79   2HZ   LYS   7          3HZ       LYS  10  14.769  15.009  -4.207
   80   3HZ   LYS   7          1HZ       LYS  10  13.958  16.034  -3.214
   81    H    SER   8           H        SER  11  10.584  20.512  -1.730
   82    HA   SER   8           HA       SER  11  12.360  22.566  -0.968
   83   1HB   SER   8          1HB       SER  11   9.330  22.549  -0.589
   84   2HB   SER   8          2HB       SER  11  10.392  23.960  -0.635
   85    HG   SER   8           HG       SER  11  10.043  22.097  -2.768
   86    H    ILE   9           H        ILE  12  10.020  20.708   1.035
   87    HA   ILE   9           HA       ILE  12  10.622  21.991   3.512
   88    HB   ILE   9           HB       ILE  12   9.547  19.235   2.815
   89   1HG1  ILE   9          1HG1      ILE  12   8.287  21.749   4.006
   90   2HG1  ILE   9          2HG1      ILE  12   8.140  21.214   2.329
   91   1HG2  ILE   9          2HG2      ILE  12   9.844  20.428   5.601
   92   2HG2  ILE   9          3HG2      ILE  12   8.966  18.940   5.172
   93   3HG2  ILE   9          1HG2      ILE  12  10.698  18.997   4.974
   94   1HD1  ILE   9          1HD1      ILE  12   7.031  19.105   3.149
   95   2HD1  ILE   9          2HD1      ILE  12   7.014  19.807   4.787
   96   3HD1  ILE   9          3HD1      ILE  12   6.130  20.596   3.491
   97    H    PHE  10           H        PHE  13  11.921  18.924   2.177
   98    HA   PHE  10           HA       PHE  13  13.824  18.279   4.086
   99   1HB   PHE  10          1HB       PHE  13  13.194  16.893   2.186
  100   2HB   PHE  10          2HB       PHE  13  13.911  18.027   1.060
  101    HD1  PHE  10           HD2      PHE  13  16.420  18.392   0.995
  102    HD2  PHE  10           HD1      PHE  13  14.526  15.120   3.091
  103    HE1  PHE  10           HE2      PHE  13  18.501  17.112   0.888
  104    HE2  PHE  10           HE1      PHE  13  16.590  13.783   2.817
  105    HZ   PHE  10           HZ       PHE  13  18.576  14.756   1.730
  106    H    GLU  11           H        GLU  14  14.264  20.453   1.279
  107    HA   GLU  11           HA       GLU  14  16.968  21.097   1.634
  108   1HB   GLU  11          1HB       GLU  14  14.672  22.617   0.394
  109   2HB   GLU  11          2HB       GLU  14  16.337  23.219   0.378
  110   1HG   GLU  11          1HG       GLU  14  17.148  21.253  -0.777
  111   2HG   GLU  11          2HG       GLU  14  15.589  20.452  -0.678
  112    H    LYS  12           H        LYS  15  14.144  22.382   3.417
  113    HA   LYS  12           HA       LYS  15  15.312  24.708   4.424
  114   1HB   LYS  12          1HB       LYS  15  12.934  24.031   4.746
  115   2HB   LYS  12          2HB       LYS  15  13.458  22.781   5.886
  116   1HG   LYS  12          1HG       LYS  15  12.583  24.683   7.065
  117   2HG   LYS  12          2HG       LYS  15  14.287  24.446   7.455
  118   1HD   LYS  12          1HD       LYS  15  14.934  26.304   5.982
  119   2HD   LYS  12          2HD       LYS  15  13.257  26.467   5.407
  120   1HE   LYS  12          1HE       LYS  15  12.537  27.050   7.719
  121   2HE   LYS  12          2HE       LYS  15  14.210  26.869   8.286
  122   1HZ   LYS  12          1HZ       LYS  15  14.830  28.647   6.820
  123   2HZ   LYS  12          2HZ       LYS  15  13.275  28.816   6.295
  124   3HZ   LYS  12          3HZ       LYS  15  13.655  29.139   7.866
  125    OH   TYR  13           OH       TYR  16  11.198  19.989   8.658
  126    H    TYR  13           H        TYR  16  15.674  21.337   5.553
  127    HA   TYR  13           HA       TYR  16  17.499  22.221   7.716
  128   1HB   TYR  13          1HB       TYR  16  17.074  19.331   7.157
  129   2HB   TYR  13          2HB       TYR  16  17.335  20.185   8.668
  130    HD1  TYR  13           HD1      TYR  16  14.870  19.227   6.096
  131    HD2  TYR  13           HD2      TYR  16  15.434  20.672  10.097
  132    HE1  TYR  13           HE1      TYR  16  12.474  19.090   6.469
  133    HE2  TYR  13           HE2      TYR  16  12.980  20.841  10.379
  134    HH   TYR  13           HH       TYR  16  10.728  19.411   8.044
  135    H    ALA  14           H        ALA  17  17.555  20.136   4.756
  136    HA   ALA  14           HA       ALA  17  20.233  19.417   4.936
  137   1HB   ALA  14          2HB       ALA  17  18.530  19.811   2.436
  138   2HB   ALA  14          3HB       ALA  17  20.105  19.023   2.423
  139   3HB   ALA  14          1HB       ALA  17  18.791  18.312   3.352
  140    H    ALA  15           H        ALA  18  18.936  22.408   3.449
  141    HA   ALA  15           HA       ALA  18  21.269  23.384   2.294
  142   1HB   ALA  15          1HB       ALA  18  19.089  24.434   2.010
  143   2HB   ALA  15          2HB       ALA  18  19.084  24.949   3.717
  144   3HB   ALA  15          3HB       ALA  18  20.275  25.621   2.583
  145    H    LYS  16           H        LYS  19  20.596  23.160   5.792
  146    HA   LYS  16           HA       LYS  19  22.412  25.160   6.669
  147   1HB   LYS  16          1HB       LYS  19  21.675  22.508   7.977
  148   2HB   LYS  16          2HB       LYS  19  22.507  23.855   8.765
  149   1HG   LYS  16          1HG       LYS  19  20.558  25.339   8.301
  150   2HG   LYS  16          2HG       LYS  19  19.684  23.967   7.596
  151   1HD   LYS  16          1HD       LYS  19  19.931  22.732   9.769
  152   2HD   LYS  16          2HD       LYS  19  20.721  24.163  10.461
  153   1HE   LYS  16          1HE       LYS  19  18.641  25.498   9.915
  154   2HE   LYS  16          2HE       LYS  19  17.868  23.999   9.369
  155   1HZ   LYS  16          1HZ       LYS  19  18.227  23.124  11.604
  156   2HZ   LYS  16          2HZ       LYS  19  18.872  24.565  12.067
  157   3HZ   LYS  16          3HZ       LYS  19  17.292  24.485  11.608
  158    H    GLU  17           H        GLU  20  22.980  21.946   5.345
  159    HA   GLU  17           HA       GLU  20  25.793  21.796   6.194
  160   1HB   GLU  17          1HB       GLU  20  24.148  20.227   4.191
  161   2HB   GLU  17          2HB       GLU  20  25.723  19.742   4.862
  162   1HG   GLU  17          1HG       GLU  20  24.652  19.784   7.176
  163   2HG   GLU  17          2HG       GLU  20  23.078  19.992   6.389
  164    H    GLY  18           H        GLY  21  24.215  23.602   3.865
  165   1HA   GLY  18          1HA       GLY  21  25.152  24.879   2.141
  166   2HA   GLY  18          2HA       GLY  21  26.639  23.905   2.178
  167    H    ASP  19           H        ASP  22  26.015  21.418   1.849
  168    HA   ASP  19           HA       ASP  22  25.026  21.056  -0.823
  169   1HB   ASP  19          1HB       ASP  22  26.651  19.531   0.165
  170   2HB   ASP  19          2HB       ASP  22  25.517  19.091   1.452
  171    HA   PRO  20           HA       PRO  23  20.772  21.208   0.861
  172   1HB   PRO  20          1HB       PRO  23  19.352  21.581  -1.408
  173   2HB   PRO  20          2HB       PRO  23  20.455  22.840  -0.784
  174   1HG   PRO  20          1HG       PRO  23  21.051  20.759  -2.916
  175   2HG   PRO  20          2HG       PRO  23  21.263  22.530  -3.039
  176   1HD   PRO  20          1HD       PRO  23  23.308  20.859  -2.337
  177   2HD   PRO  20          2HD       PRO  23  23.144  22.493  -1.638
  178    H    ASN  21           H        ASN  24  22.261  18.625  -0.783
  179    HA   ASN  21           HA       ASN  24  19.741  17.139  -1.140
  180   1HB   ASN  21          1HB       ASN  24  21.377  17.259  -3.003
  181   2HB   ASN  21          2HB       ASN  24  22.581  16.453  -1.985
  182   1HD2  ASN  21          1HD2      ASN  24  21.419  13.276  -2.969
  183   2HD2  ASN  21          2HD2      ASN  24  22.773  14.288  -2.478
  184    H    GLN  22           H        GLN  25  21.669  17.493   1.568
  185    HA   GLN  22           HA       GLN  25  20.691  14.846   2.470
  186   1HB   GLN  22          1HB       GLN  25  23.319  15.773   3.559
  187   2HB   GLN  22          2HB       GLN  25  22.696  14.153   3.434
  188   1HG   GLN  22          1HG       GLN  25  23.172  14.248   0.901
  189   2HG   GLN  22          2HG       GLN  25  24.019  15.771   1.209
  190   1HE2  GLN  22          1HE2      GLN  25  26.555  14.042   3.320
  191   2HE2  GLN  22          2HE2      GLN  25  25.468  15.413   3.464
  192    H    LEU  23           H        LEU  26  20.452  14.571   4.704
  193    HA   LEU  23           HA       LEU  26  21.124  16.910   6.158
  194   1HB   LEU  23          1HB       LEU  26  18.783  16.152   7.469
  195   2HB   LEU  23          2HB       LEU  26  19.069  17.590   6.457
  196    HG   LEU  23           HG       LEU  26  18.279  16.301   4.506
  197   1HD1  LEU  23          2HD1      LEU  26  17.340  14.439   6.727
  198   2HD1  LEU  23          3HD1      LEU  26  16.805  14.284   5.059
  199   3HD1  LEU  23          1HD1      LEU  26  18.500  13.968   5.475
  200   1HD2  LEU  23          1HD2      LEU  26  16.417  16.834   6.836
  201   2HD2  LEU  23          2HD2      LEU  26  16.844  17.905   5.473
  202   3HD2  LEU  23          3HD2      LEU  26  15.845  16.479   5.191
  203    H    SER  24           H        SER  27  22.114  16.468   8.079
  204    HA   SER  24           HA       SER  27  22.641  13.637   8.627
  205   1HB   SER  24          1HB       SER  27  23.908  16.161   9.802
  206   2HB   SER  24          2HB       SER  27  24.526  14.521   9.971
  207    HG   SER  24           HG       SER  27  24.226  15.989   7.562
  208    H    LYS  25           H        LYS  28  23.061  13.242  11.088
  209    HA   LYS  25           HA       LYS  28  20.829  12.739  12.500
  210   1HB   LYS  25          1HB       LYS  28  23.496  13.741  13.568
  211   2HB   LYS  25          2HB       LYS  28  22.193  13.157  14.612
  212   1HG   LYS  25          1HG       LYS  28  22.219  10.966  13.515
  213   2HG   LYS  25          2HG       LYS  28  23.530  11.495  12.439
  214   1HD   LYS  25          1HD       LYS  28  25.037  11.825  14.336
  215   2HD   LYS  25          2HD       LYS  28  23.714  11.602  15.489
  216   1HE   LYS  25          1HE       LYS  28  25.091   9.605  15.443
  217   2HE   LYS  25          2HE       LYS  28  23.473   9.237  14.833
  218   1HZ   LYS  25          2HZ       LYS  28  25.842   9.747  13.168
  219   2HZ   LYS  25          3HZ       LYS  28  25.224   8.268  13.535
  220   3HZ   LYS  25          1HZ       LYS  28  24.339   9.322  12.627
  221    H    GLU  26           H        GLU  29  22.503  15.892  12.810
  222    HA   GLU  26           HA       GLU  29  20.741  17.017  14.735
  223   1HB   GLU  26          1HB       GLU  29  22.482  18.420  12.640
  224   2HB   GLU  26          2HB       GLU  29  21.700  19.174  14.025
  225   1HG   GLU  26          1HG       GLU  29  23.966  18.832  14.635
  226   2HG   GLU  26          2HG       GLU  29  23.005  17.674  15.559
  227    H    GLU  27           H        GLU  30  20.910  17.605  11.208
  228    HA   GLU  27           HA       GLU  30  18.627  19.230  10.946
  229   1HB   GLU  27          1HB       GLU  30  19.949  17.252   9.038
  230   2HB   GLU  27          2HB       GLU  30  18.639  18.335   8.585
  231   1HG   GLU  27          1HG       GLU  30  20.652  19.365   7.851
  232   2HG   GLU  27          2HG       GLU  30  20.068  20.299   9.230
  233    H    LEU  28           H        LEU  31  18.990  15.692  10.697
  234    HA   LEU  28           HA       LEU  31  16.308  15.029  10.080
  235   1HB   LEU  28          1HB       LEU  31  18.530  13.553  11.540
  236   2HB   LEU  28          2HB       LEU  31  16.976  12.804  11.199
  237    HG   LEU  28           HG       LEU  31  18.635  14.041   8.978
  238   1HD1  LEU  28          1HD1      LEU  31  19.927  12.252  10.290
  239   2HD1  LEU  28          2HD1      LEU  31  18.659  11.118   9.767
  240   3HD1  LEU  28          3HD1      LEU  31  19.658  11.964   8.572
  241   1HD2  LEU  28          1HD2      LEU  31  16.503  11.849   9.050
  242   2HD2  LEU  28          2HD2      LEU  31  16.242  13.486   8.447
  243   3HD2  LEU  28          3HD2      LEU  31  17.356  12.379   7.607
  244    H    LYS  29           H        LYS  32  17.968  15.174  13.304
  245    HA   LYS  29           HA       LYS  32  15.715  14.464  14.813
  246   1HB   LYS  29          1HB       LYS  32  17.890  14.626  15.885
  247   2HB   LYS  29          2HB       LYS  32  18.052  16.327  15.441
  248   1HG   LYS  29          1HG       LYS  32  17.540  16.163  17.779
  249   2HG   LYS  29          2HG       LYS  32  16.194  16.959  16.953
  250   1HD   LYS  29          1HD       LYS  32  14.937  14.788  16.941
  251   2HD   LYS  29          2HD       LYS  32  16.293  14.000  17.766
  252   1HE   LYS  29          1HE       LYS  32  14.598  16.303  18.852
  253   2HE   LYS  29          2HE       LYS  32  14.440  14.600  19.301
  254   1HZ   LYS  29          1HZ       LYS  32  16.681  14.686  20.150
  255   2HZ   LYS  29          2HZ       LYS  32  16.791  16.289  19.772
  256   3HZ   LYS  29          3HZ       LYS  32  15.706  15.785  20.901
  257    H    GLN  30           H        GLN  33  16.825  17.748  13.776
  258    HA   GLN  30           HA       GLN  33  14.672  19.081  14.994
  259   1HB   GLN  30          1HB       GLN  33  16.240  19.833  12.474
  260   2HB   GLN  30          2HB       GLN  33  15.092  20.913  13.283
  261   1HG   GLN  30          1HG       GLN  33  16.417  20.760  15.379
  262   2HG   GLN  30          2HG       GLN  33  17.598  19.734  14.565
  263   1HE2  GLN  30          1HE2      GLN  33  17.889  23.733  14.173
  264   2HE2  GLN  30          2HE2      GLN  33  16.775  22.968  15.288
  265    H    LEU  31           H        LEU  34  14.948  17.823  11.632
  266    HA   LEU  31           HA       LEU  34  12.415  18.418  10.680
  267   1HB   LEU  31          1HB       LEU  34  14.277  17.402   9.405
  268   2HB   LEU  31          2HB       LEU  34  13.970  15.847  10.166
  269    HG   LEU  31           HG       LEU  34  11.880  17.290   8.511
  270   1HD1  LEU  31          1HD1      LEU  34  13.954  16.893   7.176
  271   2HD1  LEU  31          2HD1      LEU  34  13.882  15.179   7.610
  272   3HD1  LEU  31          3HD1      LEU  34  12.597  15.912   6.619
  273   1HD2  LEU  31          1HD2      LEU  34  12.195  14.379   9.383
  274   2HD2  LEU  31          2HD2      LEU  34  10.864  15.477   9.809
  275   3HD2  LEU  31          3HD2      LEU  34  11.048  14.934   8.150
  276    H    ILE  32           H        ILE  35  13.286  15.592  12.403
  277    HA   ILE  32           HA       ILE  35  10.679  14.461  12.672
  278    HB   ILE  32           HB       ILE  35  13.097  14.215  14.492
  279   1HG1  ILE  32          1HG1      ILE  35  13.452  13.232  12.282
  280   2HG1  ILE  32          2HG1      ILE  35  13.415  12.033  13.565
  281   1HG2  ILE  32          2HG2      ILE  35  10.447  12.752  14.692
  282   2HG2  ILE  32          3HG2      ILE  35  11.971  12.184  15.417
  283   3HG2  ILE  32          1HG2      ILE  35  11.269  13.709  15.937
  284   1HD1  ILE  32          1HD1      ILE  35  11.005  11.514  12.894
  285   2HD1  ILE  32          2HD1      ILE  35  11.239  12.623  11.519
  286   3HD1  ILE  32          3HD1      ILE  35  12.214  11.158  11.665
  287    H    GLN  33           H        GLN  36  12.388  16.205  15.037
  288    HA   GLN  33           HA       GLN  36  10.421  16.380  16.981
  289   1HB   GLN  33          1HB       GLN  36  11.870  17.534  18.235
  290   2HB   GLN  33          2HB       GLN  36  13.003  17.076  16.967
  291   1HG   GLN  33          1HG       GLN  36  12.555  19.346  15.904
  292   2HG   GLN  33          2HG       GLN  36  11.608  19.752  17.343
  293   1HE2  GLN  33          1HE2      GLN  36  14.793  21.207  18.185
  294   2HE2  GLN  33          2HE2      GLN  36  13.306  21.554  17.315
  295    H    ALA  34           H        ALA  37  10.963  18.656  14.291
  296    HA   ALA  34           HA       ALA  37   8.813  20.448  15.263
  297   1HB   ALA  34          1HB       ALA  37  10.936  21.385  14.462
  298   2HB   ALA  34          2HB       ALA  37  10.667  20.651  12.865
  299   3HB   ALA  34          3HB       ALA  37   9.563  21.907  13.464
  300    H    GLU  35           H        GLU  38   9.509  18.411  12.369
  301    HA   GLU  35           HA       GLU  38   7.067  19.240  11.083
  302   1HB   GLU  35          1HB       GLU  38   9.353  18.571  10.060
  303   2HB   GLU  35          2HB       GLU  38   8.766  16.905  10.210
  304   1HG   GLU  35          1HG       GLU  38   6.735  17.598   8.857
  305   2HG   GLU  35          2HG       GLU  38   7.468  19.196   8.665
  306    H    PHE  36           H        PHE  39   8.043  16.221  12.881
  307    HA   PHE  36           HA       PHE  39   5.202  15.628  13.168
  308   1HB   PHE  36          1HB       PHE  39   5.397  13.356  12.079
  309   2HB   PHE  36          2HB       PHE  39   5.175  14.755  11.068
  310    HD1  PHE  36           HD2      PHE  39   7.686  12.194  12.136
  311    HD2  PHE  36           HD1      PHE  39   6.667  15.291   9.313
  312    HE1  PHE  36           HE2      PHE  39   9.335  11.290  10.541
  313    HE2  PHE  36           HE1      PHE  39   8.360  14.407   7.741
  314    HZ   PHE  36           HZ       PHE  39   9.683  12.396   8.338
  315    HA   PRO  37           HA       PRO  40   7.919  13.992  16.483
  316   1HB   PRO  37          1HB       PRO  40   6.740  15.314  18.619
  317   2HB   PRO  37          2HB       PRO  40   8.110  15.955  17.672
  318   1HG   PRO  37          1HG       PRO  40   5.170  16.574  17.303
  319   2HG   PRO  37          2HG       PRO  40   6.535  17.716  17.356
  320   1HD   PRO  37          1HD       PRO  40   5.515  16.891  14.992
  321   2HD   PRO  37          2HD       PRO  40   7.280  17.057  15.184
  322    H    SER  38           H        SER  41   4.635  14.780  16.347
  323    HA   SER  38           HA       SER  41   3.218  13.157  18.054
  324   1HB   SER  38          1HB       SER  41   1.426  13.321  16.166
  325   2HB   SER  38          2HB       SER  41   2.066  14.823  16.862
  326    HG   SER  38           HG       SER  41   2.088  14.862  14.553
  327    H    LEU  39           H        LEU  42   4.334  12.258  14.769
  328    HA   LEU  39           HA       LEU  42   3.070   9.701  14.718
  329   1HB   LEU  39          1HB       LEU  42   5.633  10.610  13.350
  330   2HB   LEU  39          2HB       LEU  42   4.754   9.121  12.979
  331    HG   LEU  39           HG       LEU  42   3.678  11.952  12.616
  332   1HD1  LEU  39          1HD1      LEU  42   5.451  11.210  10.984
  333   2HD1  LEU  39          2HD1      LEU  42   4.432   9.824  10.562
  334   3HD1  LEU  39          3HD1      LEU  42   3.872  11.475  10.226
  335   1HD2  LEU  39          1HD2      LEU  42   2.397   9.253  12.013
  336   2HD2  LEU  39          2HD2      LEU  42   1.784  10.511  13.113
  337   3HD2  LEU  39          3HD2      LEU  42   1.819  10.807  11.377
  338    H    LEU  40           H        LEU  43   6.122  10.741  16.257
  339    HA   LEU  40           HA       LEU  43   6.816   7.943  16.877
  340   1HB   LEU  40          1HB       LEU  43   8.140  10.515  17.758
  341   2HB   LEU  40          2HB       LEU  43   8.737   8.865  17.989
  342    HG   LEU  40           HG       LEU  43   8.363  10.320  15.340
  343   1HD1  LEU  40          1HD1      LEU  43  10.355  10.911  16.713
  344   2HD1  LEU  40          2HD1      LEU  43  10.824   9.196  16.747
  345   3HD1  LEU  40          3HD1      LEU  43  10.806  10.079  15.205
  346   1HD2  LEU  40          1HD2      LEU  43   9.163   7.427  15.860
  347   2HD2  LEU  40          2HD2      LEU  43   7.803   8.006  14.866
  348   3HD2  LEU  40          3HD2      LEU  43   9.461   8.278  14.331
  349    H    LYS  41           H        LYS  44   4.440   8.084  17.710
  350    HA   LYS  41           HA       LYS  44   4.110   8.934  20.492
  351   1HB   LYS  41          1HB       LYS  44   1.990   7.763  20.368
  352   2HB   LYS  41          2HB       LYS  44   2.226   9.012  19.148
  353   1HG   LYS  41          1HG       LYS  44   2.694   7.204  17.423
  354   2HG   LYS  41          2HG       LYS  44   2.408   6.003  18.692
  355   1HD   LYS  41          1HD       LYS  44   0.305   6.050  17.911
  356   2HD   LYS  41          2HD       LYS  44   0.156   7.444  18.990
  357   1HE   LYS  41          1HE       LYS  44   0.805   7.551  15.990
  358   2HE   LYS  41          2HE       LYS  44  -0.790   7.832  16.702
  359   1HZ   LYS  41          1HZ       LYS  44   0.129   9.693  17.888
  360   2HZ   LYS  41          2HZ       LYS  44   1.597   9.486  17.174
  361   3HZ   LYS  41          3HZ       LYS  44   0.287   9.872  16.259
  362    H    GLY  42           H        GLY  45   6.324   7.814  20.748
  363   1HA   GLY  42          1HA       GLY  45   6.615   6.059  22.628
  364   2HA   GLY  42          2HA       GLY  45   6.265   4.906  21.314
  365    HA   PRO  43           HA       PRO  46  10.684   6.761  20.965
  366   1HB   PRO  43          1HB       PRO  46  12.303   5.202  22.488
  367   2HB   PRO  43          2HB       PRO  46  11.320   6.513  23.187
  368   1HG   PRO  43          1HG       PRO  46  10.591   3.570  23.056
  369   2HG   PRO  43          2HG       PRO  46  10.614   4.620  24.505
  370   1HD   PRO  43          1HD       PRO  46   8.318   4.176  23.096
  371   2HD   PRO  43          2HD       PRO  46   8.675   5.786  23.791
  372    NH1  ARG  44           NH2      ARG  47   5.238   5.447  17.619
  373    NH2  ARG  44           NH1      ARG  47   4.820   3.735  19.114
  374    H    ARG  44           H        ARG  47   9.573   5.607  18.964
  375    HA   ARG  44           HA       ARG  47  10.998   3.080  18.281
  376   1HB   ARG  44          1HB       ARG  47   9.475   2.622  16.661
  377   2HB   ARG  44          2HB       ARG  47   8.658   2.950  18.196
  378   1HG   ARG  44          1HG       ARG  47   8.143   5.257  17.378
  379   2HG   ARG  44          2HG       ARG  47   8.918   4.836  15.832
  380   1HD   ARG  44          1HD       ARG  47   6.543   4.429  15.505
  381   2HD   ARG  44          2HD       ARG  47   7.376   2.877  15.639
  382    HE   ARG  44           HE       ARG  47   6.303   2.401  17.611
  383   1HH1  ARG  44          1HH2      ARG  47   5.675   5.795  16.779
  384   2HH1  ARG  44          2HH2      ARG  47   4.613   6.042  18.135
  385   1HH2  ARG  44          1HH1      ARG  47   4.936   2.777  19.405
  386   2HH2  ARG  44          2HH1      ARG  47   4.294   4.376  19.708
  387    H    THR  45           H        THR  48  12.655   3.047  16.803
  388    HA   THR  45           HA       THR  48  14.190   3.672  15.511
  389    HB   THR  45           HB       THR  48  12.149   5.386  14.040
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          1HG2      THR  48  14.636   5.593  13.396
  391   2HG2  THR  45          2HG2      THR  48  14.595   3.805  13.266
  392   3HG2  THR  45          3HG2      THR  48  13.596   4.817  12.178
  393    H    LEU  46           H        LEU  49  12.589   6.642  15.484
  394    HA   LEU  46           HA       LEU  49  13.206   8.772  15.279
  395   1HB   LEU  46          1HB       LEU  49  13.386   8.256  17.801
  396   2HB   LEU  46          2HB       LEU  49  15.125   8.499  17.597
  397    HG   LEU  46           HG       LEU  49  12.919  10.495  16.827
  398   1HD1  LEU  46          1HD1      LEU  49  13.063  10.116  19.257
  399   2HD1  LEU  46          2HD1      LEU  49  14.801  10.487  19.214
  400   3HD1  LEU  46          3HD1      LEU  49  13.607  11.742  18.819
  401   1HD2  LEU  46          1HD2      LEU  49  15.954  10.798  16.862
  402   2HD2  LEU  46          2HD2      LEU  49  14.859  11.025  15.476
  403   3HD2  LEU  46          3HD2      LEU  49  14.818  12.161  16.811
  404    H    ASP  47           H        ASP  50  16.336   7.140  16.021
  405    HA   ASP  47           HA       ASP  50  17.426   8.243  13.478
  406   1HB   ASP  47          1HB       ASP  50  18.122   9.591  15.561
  407   2HB   ASP  47          2HB       ASP  50  18.825   8.077  16.177
  408    H    ASP  48           H        ASP  51  16.918   5.459  15.313
  409    HA   ASP  48           HA       ASP  51  19.230   3.950  14.938
  410   1HB   ASP  48          1HB       ASP  51  17.303   3.063  16.129
  411   2HB   ASP  48          2HB       ASP  51  16.339   3.037  14.644
  412    H    LEU  49           H        LEU  52  16.539   4.005  12.477
  413    HA   LEU  49           HA       LEU  52  18.261   2.698  10.582
  414   1HB   LEU  49          1HB       LEU  52  16.577   2.894   8.953
  415   2HB   LEU  49          2HB       LEU  52  15.902   2.410  10.502
  416    HG   LEU  49           HG       LEU  52  15.348   5.010  10.730
  417   1HD1  LEU  49          1HD1      LEU  52  16.479   5.659   8.572
  418   2HD1  LEU  49          2HD1      LEU  52  15.350   4.607   7.705
  419   3HD1  LEU  49          3HD1      LEU  52  14.750   6.029   8.579
  420   1HD2  LEU  49          2HD2      LEU  52  13.710   3.108  10.627
  421   2HD2  LEU  49          3HD2      LEU  52  13.142   4.525   9.717
  422   3HD2  LEU  49          1HD2      LEU  52  13.825   3.127   8.859
  423    H    PHE  50           H        PHE  53  17.549   6.123  11.218
  424    HA   PHE  50           HA       PHE  53  18.812   7.325   8.997
  425   1HB   PHE  50          1HB       PHE  53  18.730   8.049  11.916
  426   2HB   PHE  50          2HB       PHE  53  19.363   9.150  10.824
  427    HD1  PHE  50           HD2      PHE  53  16.826   8.005   8.773
  428    HD2  PHE  50           HD1      PHE  53  17.449  10.273  12.402
  429    HE1  PHE  50           HE2      PHE  53  14.745   9.184   8.409
  430    HE2  PHE  50           HE1      PHE  53  15.220  11.276  12.137
  431    HZ   PHE  50           HZ       PHE  53  13.851  10.759  10.141
  432    H    GLN  51           H        GLN  54  20.307   6.001  11.972
  433    HA   GLN  51           HA       GLN  54  22.926   6.798  11.239
  434   1HB   GLN  51          1HB       GLN  54  22.372   6.155  13.536
  435   2HB   GLN  51          2HB       GLN  54  21.886   4.539  13.025
  436   1HG   GLN  51          1HG       GLN  54  24.030   4.447  14.121
  437   2HG   GLN  51          2HG       GLN  54  24.230   3.981  12.436
  438   1HE2  GLN  51          1HE2      GLN  54  26.268   6.854  11.624
  439   2HE2  GLN  51          2HE2      GLN  54  25.202   5.632  10.940
  440    H    GLU  52           H        GLU  55  21.005   3.908  10.373
  441    HA   GLU  52           HA       GLU  55  23.209   2.529   9.095
  442   1HB   GLU  52          1HB       GLU  55  20.212   2.247   8.592
  443   2HB   GLU  52          2HB       GLU  55  21.485   1.134   8.085
  444   1HG   GLU  52          1HG       GLU  55  22.084   0.717  10.464
  445   2HG   GLU  52          2HG       GLU  55  20.779   1.790  10.987
  446    H    LEU  53           H        LEU  56  20.758   4.871   8.077
  447    HA   LEU  53           HA       LEU  56  21.429   4.885   5.233
  448   1HB   LEU  53          1HB       LEU  56  19.849   6.758   6.987
  449   2HB   LEU  53          2HB       LEU  56  19.939   6.820   5.238
  450    HG   LEU  53           HG       LEU  56  18.706   4.582   6.869
  451   1HD1  LEU  53          1HD1      LEU  56  17.468   6.748   6.743
  452   2HD1  LEU  53          2HD1      LEU  56  17.501   6.639   4.977
  453   3HD1  LEU  53          3HD1      LEU  56  16.630   5.418   5.926
  454   1HD2  LEU  53          1HD2      LEU  56  18.925   4.835   3.843
  455   2HD2  LEU  53          2HD2      LEU  56  19.666   3.575   4.859
  456   3HD2  LEU  53          3HD2      LEU  56  17.912   3.678   4.726
  457    H    ASP  54           H        ASP  57  23.736   5.505   7.212
  458    HA   ASP  54           HA       ASP  57  24.329   8.357   6.821
  459   1HB   ASP  54          1HB       ASP  57  26.248   7.902   8.109
  460   2HB   ASP  54          2HB       ASP  57  24.820   7.238   8.905
  461    H    LYS  55           H        LYS  58  24.245   8.434   4.529
  462    HA   LYS  55           HA       LYS  58  25.487   7.359   2.504
  463   1HB   LYS  55          1HB       LYS  58  24.503   9.784   2.840
  464   2HB   LYS  55          2HB       LYS  58  26.159  10.294   2.970
  465   1HG   LYS  55          1HG       LYS  58  24.915   8.800   0.611
  466   2HG   LYS  55          2HG       LYS  58  25.206  10.535   0.734
  467   1HD   LYS  55          1HD       LYS  58  27.706   9.987   1.032
  468   2HD   LYS  55          2HD       LYS  58  27.289   8.330   0.547
  469   1HE   LYS  55          1HE       LYS  58  28.044   9.496  -1.407
  470   2HE   LYS  55          2HE       LYS  58  26.299   9.241  -1.576
  471   1HZ   LYS  55          2HZ       LYS  58  27.599  11.727  -0.686
  472   2HZ   LYS  55          3HZ       LYS  58  26.975  11.453  -2.186
  473   3HZ   LYS  55          1HZ       LYS  58  25.979  11.515  -0.877
  474    H    ASN  56           H        ASN  59  27.525   9.591   4.473
  475    HA   ASN  56           HA       ASN  59  29.951   8.393   3.264
  476   1HB   ASN  56          1HB       ASN  59  29.322  10.931   3.419
  477   2HB   ASN  56          2HB       ASN  59  29.957  10.808   5.061
  478   1HD2  ASN  56          1HD2      ASN  59  33.360  10.146   3.829
  479   2HD2  ASN  56          2HD2      ASN  59  32.245   9.602   5.086
  480    H    GLY  57           H        GLY  60  28.512   6.816   5.324
  481   1HA   GLY  57          1HA       GLY  60  29.016   5.549   7.152
  482   2HA   GLY  57          2HA       GLY  60  30.710   5.827   6.740
  483    H    ASP  58           H        ASP  61  28.242   8.144   7.829
  484    HA   ASP  58           HA       ASP  61  29.642   8.545  10.434
  485   1HB   ASP  58          1HB       ASP  61  30.648  10.199   9.029
  486   2HB   ASP  58          2HB       ASP  61  29.103  10.691   8.338
  487    H    GLY  59           H        GLY  62  27.120  10.570   8.994
  488   1HA   GLY  59          1HA       GLY  62  24.839   9.235  10.162
  489   2HA   GLY  59          2HA       GLY  62  25.422  10.580  11.175
  490    H    GLU  60           H        GLU  63  25.435  10.161   7.692
  491    HA   GLU  60           HA       GLU  63  24.126  12.796   7.165
  492   1HB   GLU  60          1HB       GLU  63  26.098  10.995   5.728
  493   2HB   GLU  60          2HB       GLU  63  25.388  12.451   4.998
  494   1HG   GLU  60          1HG       GLU  63  26.379  13.871   6.772
  495   2HG   GLU  60          2HG       GLU  63  27.118  12.450   7.523
  496    H    VAL  61           H        VAL  64  21.887  12.356   6.541
  497    HA   VAL  61           HA       VAL  64  21.508   9.923   4.824
  498    HB   VAL  61           HB       VAL  64  19.484  11.518   6.411
  499   1HG1  VAL  61          2HG1      VAL  64  19.327   8.857   4.975
  500   2HG1  VAL  61          3HG1      VAL  64  18.063   9.524   6.025
  501   3HG1  VAL  61          1HG1      VAL  64  18.503  10.355   4.514
  502   1HG2  VAL  61          1HG2      VAL  64  20.843   8.846   7.026
  503   2HG2  VAL  61          2HG2      VAL  64  21.063  10.324   7.955
  504   3HG2  VAL  61          3HG2      VAL  64  19.485   9.525   7.935
  505    H    SER  62           H        SER  65  21.803  10.354   2.812
  506    HA   SER  62           HA       SER  65  21.292  12.968   1.655
  507   1HB   SER  62          1HB       SER  65  22.062  11.973  -0.391
  508   2HB   SER  62          2HB       SER  65  23.096  11.457   0.968
  509    HG   SER  62           HG       SER  65  22.069   9.481   0.976
  510    H    PHE  63           H        PHE  66  19.676  13.311  -0.153
  511    HA   PHE  63           HA       PHE  66  17.079  12.617   0.554
  512   1HB   PHE  63          1HB       PHE  66  17.830  14.371  -1.106
  513   2HB   PHE  63          2HB       PHE  66  17.949  13.101  -2.315
  514    HD1  PHE  63           HD1      PHE  66  15.847  11.933  -3.102
  515    HD2  PHE  63           HD2      PHE  66  15.703  15.178  -0.263
  516    HE1  PHE  63           HE1      PHE  66  13.387  12.065  -3.366
  517    HE2  PHE  63           HE2      PHE  66  13.242  15.271  -0.494
  518    HZ   PHE  63           HZ       PHE  66  12.076  13.725  -2.056
  519    H    GLU  64           H        GLU  67  19.195  10.973  -1.742
  520    HA   GLU  64           HA       GLU  67  17.546   8.948  -2.723
  521   1HB   GLU  64          1HB       GLU  67  20.528   8.695  -2.110
  522   2HB   GLU  64          2HB       GLU  67  19.573   7.755  -3.259
  523   1HG   GLU  64          1HG       GLU  67  20.485   9.220  -4.736
  524   2HG   GLU  64          2HG       GLU  67  19.064  10.178  -4.311
  525    H    GLU  65           H        GLU  68  19.020   9.188   0.461
  526    HA   GLU  65           HA       GLU  68  18.414   6.345   1.116
  527   1HB   GLU  65          1HB       GLU  68  19.948   8.540   2.595
  528   2HB   GLU  65          2HB       GLU  68  19.684   6.899   3.170
  529   1HG   GLU  65          1HG       GLU  68  20.945   5.918   1.404
  530   2HG   GLU  65          2HG       GLU  68  21.069   7.454   0.532
  531    H    PHE  66           H        PHE  69  17.782   9.668   2.182
  532    HA   PHE  66           HA       PHE  69  16.094   9.407   4.312
  533   1HB   PHE  66          1HB       PHE  69  16.944  11.539   3.350
  534   2HB   PHE  66          2HB       PHE  69  15.824  11.359   2.002
  535    HD1  PHE  66           HD2      PHE  69  15.899  11.581   5.756
  536    HD2  PHE  66           HD1      PHE  69  13.654  12.310   2.142
  537    HE1  PHE  66           HE2      PHE  69  14.138  12.725   7.074
  538    HE2  PHE  66           HE1      PHE  69  11.897  13.446   3.470
  539    HZ   PHE  66           HZ       PHE  69  12.115  13.622   5.937
  540    H    GLN  67           H        GLN  70  15.195   9.088   0.877
  541    HA   GLN  67           HA       GLN  70  12.453   9.000   1.081
  542   1HB   GLN  67          1HB       GLN  70  12.438   7.534  -0.924
  543   2HB   GLN  67          2HB       GLN  70  13.417   8.994  -1.024
  544   1HG   GLN  67          1HG       GLN  70  14.682   7.332  -2.085
  545   2HG   GLN  67          2HG       GLN  70  15.459   7.634  -0.533
  546   1HE2  GLN  67          1HE2      GLN  70  15.656   4.061  -0.550
  547   2HE2  GLN  67          2HE2      GLN  70  16.520   5.553  -0.929
  548    H    VAL  68           H        VAL  71  14.633   6.477   2.315
  549    HA   VAL  68           HA       VAL  71  12.735   4.388   2.591
  550    HB   VAL  68           HB       VAL  71  15.149   5.188   4.263
  551   1HG1  VAL  68          2HG1      VAL  71  13.502   2.622   4.383
  552   2HG1  VAL  68          3HG1      VAL  71  15.097   2.841   5.133
  553   3HG1  VAL  68          1HG1      VAL  71  13.725   3.797   5.699
  554   1HG2  VAL  68          1HG2      VAL  71  14.719   3.030   2.141
  555   2HG2  VAL  68          2HG2      VAL  71  15.653   4.521   1.926
  556   3HG2  VAL  68          3HG2      VAL  71  16.217   3.287   3.055
  557    H    LEU  69           H        LEU  72  13.383   7.251   4.652
  558    HA   LEU  69           HA       LEU  72  11.532   6.527   6.736
  559   1HB   LEU  69          1HB       LEU  72  13.399   8.194   6.956
  560   2HB   LEU  69          2HB       LEU  72  12.516   9.279   5.882
  561    HG   LEU  69           HG       LEU  72  10.562   9.090   7.598
  562   1HD1  LEU  69          2HD1      LEU  72  12.850   8.147   9.368
  563   2HD1  LEU  69          3HD1      LEU  72  11.270   8.723   9.931
  564   3HD1  LEU  69          1HD1      LEU  72  11.380   7.252   8.955
  565   1HD2  LEU  69          1HD2      LEU  72  13.092  10.668   8.022
  566   2HD2  LEU  69          2HD2      LEU  72  11.600  11.142   7.216
  567   3HD2  LEU  69          3HD2      LEU  72  11.609  10.922   8.974
  568    H    VAL  70           H        VAL  73  11.398   8.624   3.845
  569    HA   VAL  70           HA       VAL  73   8.756   9.554   4.128
  570    HB   VAL  70           HB       VAL  73  10.212   8.986   1.516
  571   1HG1  VAL  70          2HG1      VAL  73   7.892  10.848   2.170
  572   2HG1  VAL  70          3HG1      VAL  73   8.779  10.808   0.633
  573   3HG1  VAL  70          1HG1      VAL  73   7.829   9.406   1.133
  574   1HG2  VAL  70          1HG2      VAL  73  10.140  11.485   3.271
  575   2HG2  VAL  70          2HG2      VAL  73  11.564  10.463   2.990
  576   3HG2  VAL  70          3HG2      VAL  73  10.870  11.385   1.655
  577    H    LYS  71           H        LYS  74   9.977   6.499   2.679
  578    HA   LYS  71           HA       LYS  74   7.585   5.573   1.564
  579   1HB   LYS  71          1HB       LYS  74   9.949   4.653   1.387
  580   2HB   LYS  71          2HB       LYS  74   9.679   3.794   2.892
  581   1HG   LYS  71          1HG       LYS  74   8.072   3.540   0.303
  582   2HG   LYS  71          2HG       LYS  74   9.352   2.449   0.817
  583   1HD   LYS  71          1HD       LYS  74   6.649   2.795   2.201
  584   2HD   LYS  71          2HD       LYS  74   7.157   1.467   1.171
  585   1HE   LYS  71          1HE       LYS  74   8.958   0.858   2.764
  586   2HE   LYS  71          2HE       LYS  74   8.446   2.158   3.853
  587   1HZ   LYS  71          2HZ       LYS  74   6.794  -0.116   3.034
  588   2HZ   LYS  71          3HZ       LYS  74   7.526   0.085   4.496
  589   3HZ   LYS  71          1HZ       LYS  74   6.321   1.109   4.032
  590    H    LYS  72           H        LYS  75   8.880   4.656   4.858
  591    HA   LYS  72           HA       LYS  75   6.409   3.442   5.586
  592   1HB   LYS  72          1HB       LYS  75   7.315   3.308   7.833
  593   2HB   LYS  72          2HB       LYS  75   8.435   2.762   6.577
  594   1HG   LYS  72          1HG       LYS  75   9.448   5.168   6.730
  595   2HG   LYS  72          2HG       LYS  75   8.595   5.279   8.277
  596   1HD   LYS  72          1HD       LYS  75  10.629   3.212   7.347
  597   2HD   LYS  72          2HD       LYS  75  10.940   4.532   8.488
  598   1HE   LYS  72          1HE       LYS  75   9.224   3.538  10.061
  599   2HE   LYS  72          2HE       LYS  75   9.079   2.147   8.970
  600   1HZ   LYS  72          1HZ       LYS  75  11.411   1.729   9.313
  601   2HZ   LYS  72          2HZ       LYS  75  11.512   2.996  10.366
  602   3HZ   LYS  72          3HZ       LYS  75  10.573   1.695  10.732
  603    H    ILE  73           H        ILE  76   7.641   6.779   6.363
  604    HA   ILE  73           HA       ILE  76   5.370   7.404   7.970
  605    HB   ILE  73           HB       ILE  76   5.931   9.771   7.635
  606   1HG1  ILE  73          1HG1      ILE  76   8.269   9.959   6.327
  607   2HG1  ILE  73          2HG1      ILE  76   7.310   8.810   5.364
  608   1HG2  ILE  73          1HG2      ILE  76   7.098   8.419   9.339
  609   2HG2  ILE  73          2HG2      ILE  76   8.363   8.024   8.161
  610   3HG2  ILE  73          3HG2      ILE  76   8.126   9.703   8.687
  611   1HD1  ILE  73          1HD1      ILE  76   5.447  10.453   5.248
  612   2HD1  ILE  73          2HD1      ILE  76   6.416  11.591   6.214
  613   3HD1  ILE  73          3HD1      ILE  76   6.947  11.128   4.589
  614    H    SER  74           H        SER  77   5.763   7.356   4.426
  615    HA   SER  74           HA       SER  77   3.192   8.622   4.009
  616   1HB   SER  74          1HB       SER  77   4.984   7.092   2.083
  617   2HB   SER  74          2HB       SER  77   3.529   7.981   1.628
  618    HG   SER  74           HG       SER  77   5.919   8.992   2.730
  619    H    GLN  75           H        GLN  78   3.305   6.080   5.726
  620    HA   GLN  75           HA       GLN  78   1.905   4.376   6.135
  621   1HB   GLN  75          1HB       GLN  78   0.083   5.584   4.013
  622   2HB   GLN  75          2HB       GLN  78  -0.388   4.546   5.353
  623   1HG   GLN  75          1HG       GLN  78   0.013   6.268   6.973
  624   2HG   GLN  75          2HG       GLN  78   0.910   7.274   5.835
  625   1HE2  GLN  75          1HE2      GLN  78  -3.193   7.166   5.381
  626   2HE2  GLN  75          2HE2      GLN  78  -2.364   5.743   5.976
   
  No H/Q in entry =         627
  Start of MODEL          10
 Raw file had 628 H/Q atoms
  Start of MODEL   10
    1   1H    SER  -2           2H       SER   1   1.732  22.300   8.625
    2   2H    SER  -2           3H       SER   1   2.557  23.738   8.878
    3   3H    SER  -2           1H       SER   1   2.533  22.959   7.350
    4    HA   SER  -2           HA       SER   1   4.585  22.545   8.258
    5   1HB   SER  -2          1HB       SER   1   3.264  21.620  10.838
    6   2HB   SER  -2          2HB       SER   1   4.945  22.141  10.564
    7    HG   SER  -2           HG       SER   1   3.694  23.853  11.476
    8    H    ALA  -1           H        ALA   2   5.535  20.311   8.391
    9    HA   ALA  -1           HA       ALA   2   5.613  18.122   7.960
   10   1HB   ALA  -1          1HB       ALA   2   3.904  17.822   9.754
   11   2HB   ALA  -1          2HB       ALA   2   2.630  17.855   8.514
   12   3HB   ALA  -1          3HB       ALA   2   3.855  16.594   8.486
   13    H    GLN   0           H        GLN   3   2.493  19.221   6.625
   14    HA   GLN   0           HA       GLN   3   1.667  19.273   4.521
   15   1HB   GLN   0          1HB       GLN   3   4.462  19.085   3.373
   16   2HB   GLN   0          2HB       GLN   3   3.047  19.895   2.701
   17   1HG   GLN   0          1HG       GLN   3   4.690  20.806   5.117
   18   2HG   GLN   0          2HG       GLN   3   4.703  21.512   3.517
   19   1HE2  GLN   0          1HE2      GLN   3   1.550  23.215   3.883
   20   2HE2  GLN   0          2HE2      GLN   3   2.596  22.459   2.694
   21    H    LYS   1           H        LYS   4   1.871  17.980   2.240
   22    HA   LYS   1           HA       LYS   4   2.595  15.163   2.732
   23   1HB   LYS   1          1HB       LYS   4  -0.184  16.246   2.226
   24   2HB   LYS   1          2HB       LYS   4   0.221  14.663   1.570
   25   1HG   LYS   1          1HG       LYS   4   0.567  15.303   4.528
   26   2HG   LYS   1          2HG       LYS   4  -0.922  14.658   3.829
   27   1HD   LYS   1          1HD       LYS   4   0.255  12.698   2.957
   28   2HD   LYS   1          2HD       LYS   4   1.800  13.282   3.606
   29   1HE   LYS   1          1HE       LYS   4   0.952  13.129   5.896
   30   2HE   LYS   1          2HE       LYS   4  -0.650  12.648   5.297
   31   1HZ   LYS   1          2HZ       LYS   4   1.825  11.102   4.907
   32   2HZ   LYS   1          3HZ       LYS   4   0.623  10.765   5.982
   33   3HZ   LYS   1          1HZ       LYS   4   0.327  10.700   4.360
   34    H    SER   2           H        SER   5   2.382  17.678   0.537
   35    HA   SER   2           HA       SER   5   2.412  16.065  -1.832
   36   1HB   SER   2          1HB       SER   5   3.556  18.851  -1.712
   37   2HB   SER   2          2HB       SER   5   2.593  18.105  -2.992
   38    HG   SER   2           HG       SER   5   0.800  18.186  -1.527
   39    HA   PRO   3           HA       PRO   6   6.708  14.823  -1.662
   40   1HB   PRO   3          1HB       PRO   6   7.379  14.683  -4.356
   41   2HB   PRO   3          2HB       PRO   6   6.439  13.452  -3.469
   42   1HG   PRO   3          1HG       PRO   6   5.378  15.685  -5.207
   43   2HG   PRO   3          2HG       PRO   6   4.881  13.973  -5.185
   44   1HD   PRO   3          1HD       PRO   6   3.451  15.865  -3.887
   45   2HD   PRO   3          2HD       PRO   6   3.684  14.256  -3.144
   46    H    ALA   4           H        ALA   7   5.922  17.436  -4.007
   47    HA   ALA   4           HA       ALA   7   8.430  18.672  -4.016
   48   1HB   ALA   4          1HB       ALA   7   6.628  19.203  -5.637
   49   2HB   ALA   4          2HB       ALA   7   5.688  19.967  -4.333
   50   3HB   ALA   4          3HB       ALA   7   7.233  20.675  -4.850
   51    H    GLU   5           H        GLU   8   5.862  18.970  -1.820
   52    HA   GLU   5           HA       GLU   8   6.885  21.224  -0.300
   53   1HB   GLU   5          1HB       GLU   8   4.878  19.069   0.488
   54   2HB   GLU   5          2HB       GLU   8   5.331  20.426   1.507
   55   1HG   GLU   5          1HG       GLU   8   4.343  20.966  -1.315
   56   2HG   GLU   5          2HG       GLU   8   3.202  20.628  -0.004
   57    H    LEU   6           H        LEU   9   6.930  17.650   0.309
   58    HA   LEU   6           HA       LEU   9   8.631  17.839   2.558
   59   1HB   LEU   6          1HB       LEU   9   8.511  15.583   0.505
   60   2HB   LEU   6          2HB       LEU   9   9.302  15.501   2.080
   61    HG   LEU   6           HG       LEU   9   6.320  15.671   1.516
   62   1HD1  LEU   6          2HD1      LEU   9   8.142  13.693   2.966
   63   2HD1  LEU   6          3HD1      LEU   9   6.388  13.560   2.880
   64   3HD1  LEU   6          1HD1      LEU   9   7.350  13.447   1.393
   65   1HD2  LEU   6          1HD2      LEU   9   7.764  15.988   4.178
   66   2HD2  LEU   6          2HD2      LEU   9   6.665  17.163   3.412
   67   3HD2  LEU   6          3HD2      LEU   9   6.030  15.630   4.003
   68    H    LYS   7           H        LYS  10   9.374  17.529  -0.742
   69    HA   LYS   7           HA       LYS  10  12.210  17.423  -0.626
   70   1HB   LYS   7          1HB       LYS  10  10.812  17.008  -2.661
   71   2HB   LYS   7          2HB       LYS  10  10.595  18.759  -2.835
   72   1HG   LYS   7          1HG       LYS  10  13.081  19.026  -2.957
   73   2HG   LYS   7          2HG       LYS  10  13.269  17.272  -2.854
   74   1HD   LYS   7          1HD       LYS  10  11.777  18.780  -5.058
   75   2HD   LYS   7          2HD       LYS  10  13.437  18.173  -5.165
   76   1HE   LYS   7          1HE       LYS  10  12.584  15.839  -4.785
   77   2HE   LYS   7          2HE       LYS  10  10.923  16.467  -4.842
   78   1HZ   LYS   7          1HZ       LYS  10  11.355  17.245  -7.050
   79   2HZ   LYS   7          2HZ       LYS  10  12.892  16.652  -7.004
   80   3HZ   LYS   7          3HZ       LYS  10  11.609  15.621  -6.939
   81    H    SER   8           H        SER  11   9.972  20.255  -0.781
   82    HA   SER   8           HA       SER  11  11.989  22.241  -0.723
   83   1HB   SER   8          1HB       SER  11   9.170  22.418   0.426
   84   2HB   SER   8          2HB       SER  11  10.271  23.762   0.121
   85    HG   SER   8           HG       SER  11   9.299  21.939  -1.835
   86    H    ILE   9           H        ILE  12  10.265  20.639   2.059
   87    HA   ILE   9           HA       ILE  12  11.587  22.114   4.083
   88    HB   ILE   9           HB       ILE  12  11.098  19.145   4.458
   89   1HG1  ILE   9          1HG1      ILE  12   9.061  19.676   3.498
   90   2HG1  ILE   9          2HG1      ILE  12   8.809  19.591   5.223
   91   1HG2  ILE   9          1HG2      ILE  12  12.209  20.386   6.247
   92   2HG2  ILE   9          2HG2      ILE  12  10.855  21.531   6.324
   93   3HG2  ILE   9          3HG2      ILE  12  10.618  19.825   6.754
   94   1HD1  ILE   9          2HD1      ILE  12   9.007  22.139   3.563
   95   2HD1  ILE   9          3HD1      ILE  12   7.538  21.366   4.173
   96   3HD1  ILE   9          1HD1      ILE  12   8.710  22.064   5.323
   97    H    PHE  10           H        PHE  13  12.469  19.011   2.599
   98    HA   PHE  10           HA       PHE  13  14.891  18.479   3.881
   99   1HB   PHE  10          1HB       PHE  13  13.769  16.888   2.437
  100   2HB   PHE  10          2HB       PHE  13  13.997  17.906   1.028
  101    HD1  PHE  10           HD2      PHE  13  16.238  18.216  -0.017
  102    HD2  PHE  10           HD1      PHE  13  15.583  15.474   3.249
  103    HE1  PHE  10           HE2      PHE  13  18.479  17.269  -0.369
  104    HE2  PHE  10           HE1      PHE  13  17.808  14.464   2.840
  105    HZ   PHE  10           HZ       PHE  13  19.220  15.322   0.991
  106    H    GLU  11           H        GLU  14  14.490  20.167   0.730
  107    HA   GLU  11           HA       GLU  14  17.179  20.906   0.381
  108   1HB   GLU  11          1HB       GLU  14  14.596  22.187  -0.594
  109   2HB   GLU  11          2HB       GLU  14  16.200  22.722  -1.110
  110   1HG   GLU  11          1HG       GLU  14  15.131  19.888  -1.502
  111   2HG   GLU  11          2HG       GLU  14  15.146  21.156  -2.729
  112    H    LYS  12           H        LYS  15  14.535  22.767   2.008
  113    HA   LYS  12           HA       LYS  15  16.085  25.090   2.453
  114   1HB   LYS  12          1HB       LYS  15  13.604  23.931   3.693
  115   2HB   LYS  12          2HB       LYS  15  14.502  25.109   4.645
  116   1HG   LYS  12          1HG       LYS  15  12.855  26.307   3.411
  117   2HG   LYS  12          2HG       LYS  15  14.459  26.736   2.804
  118   1HD   LYS  12          1HD       LYS  15  14.078  25.083   0.897
  119   2HD   LYS  12          2HD       LYS  15  12.430  24.860   1.517
  120   1HE   LYS  12          1HE       LYS  15  11.973  27.275   1.199
  121   2HE   LYS  12          2HE       LYS  15  13.623  27.508   0.586
  122   1HZ   LYS  12          1HZ       LYS  15  13.105  26.014  -1.199
  123   2HZ   LYS  12          2HZ       LYS  15  11.572  25.797  -0.636
  124   3HZ   LYS  12          3HZ       LYS  15  12.050  27.277  -1.176
  125    OH   TYR  13           OH       TYR  16  12.055  21.176   9.270
  126    H    TYR  13           H        TYR  16  15.880  22.100   4.459
  127    HA   TYR  13           HA       TYR  16  17.681  23.235   6.472
  128   1HB   TYR  13          1HB       TYR  16  16.808  20.417   5.872
  129   2HB   TYR  13          2HB       TYR  16  17.878  20.844   7.214
  130    HD1  TYR  13           HD2      TYR  16  15.156  23.255   6.712
  131    HD2  TYR  13           HD1      TYR  16  16.177  19.477   8.646
  132    HE1  TYR  13           HE2      TYR  16  12.953  23.150   7.774
  133    HE2  TYR  13           HE1      TYR  16  13.977  19.318   9.453
  134    HH   TYR  13           HH       TYR  16  11.924  20.389   9.802
  135    H    ALA  14           H        ALA  17  18.033  20.694   3.982
  136    HA   ALA  14           HA       ALA  17  20.703  20.078   4.226
  137   1HB   ALA  14          1HB       ALA  17  19.062  18.836   2.849
  138   2HB   ALA  14          2HB       ALA  17  19.016  20.174   1.675
  139   3HB   ALA  14          3HB       ALA  17  20.475  19.204   1.899
  140    H    ALA  15           H        ALA  18  19.263  22.826   2.427
  141    HA   ALA  15           HA       ALA  18  21.654  23.679   1.127
  142   1HB   ALA  15          2HB       ALA  18  19.188  25.262   1.944
  143   2HB   ALA  15          3HB       ALA  18  20.449  25.813   0.822
  144   3HB   ALA  15          1HB       ALA  18  19.446  24.414   0.399
  145    H    LYS  16           H        LYS  19  20.320  24.478   4.380
  146    HA   LYS  16           HA       LYS  19  22.434  26.483   4.763
  147   1HB   LYS  16          1HB       LYS  19  21.487  26.949   6.898
  148   2HB   LYS  16          2HB       LYS  19  20.334  27.134   5.567
  149   1HG   LYS  16          1HG       LYS  19  19.230  25.125   6.102
  150   2HG   LYS  16          2HG       LYS  19  20.505  24.609   7.216
  151   1HD   LYS  16          1HD       LYS  19  19.943  26.395   8.790
  152   2HD   LYS  16          2HD       LYS  19  18.770  27.080   7.650
  153   1HE   LYS  16          1HE       LYS  19  17.673  25.781   9.458
  154   2HE   LYS  16          2HE       LYS  19  17.332  25.117   7.854
  155   1HZ   LYS  16          2HZ       LYS  19  19.356  24.093   9.732
  156   2HZ   LYS  16          3HZ       LYS  19  17.874  23.422   9.454
  157   3HZ   LYS  16          1HZ       LYS  19  19.001  23.455   8.254
  158    H    GLU  17           H        GLU  20  21.805  23.144   5.810
  159    HA   GLU  17           HA       GLU  20  24.470  23.165   7.201
  160   1HB   GLU  17          1HB       GLU  20  21.789  22.104   8.113
  161   2HB   GLU  17          2HB       GLU  20  23.322  21.550   8.826
  162   1HG   GLU  17          1HG       GLU  20  23.811  23.831   9.579
  163   2HG   GLU  17          2HG       GLU  20  22.374  24.450   8.752
  164    H    GLY  18           H        GLY  21  25.589  21.211   7.225
  165   1HA   GLY  18          1HA       GLY  21  26.236  19.133   6.522
  166   2HA   GLY  18          2HA       GLY  21  24.591  18.804   5.966
  167    H    ASP  19           H        ASP  22  23.945  19.697   3.847
  168    HA   ASP  19           HA       ASP  22  25.669  20.879   1.973
  169   1HB   ASP  19          1HB       ASP  22  27.050  18.889   1.955
  170   2HB   ASP  19          2HB       ASP  22  25.639  17.835   2.031
  171    HA   PRO  20           HA       PRO  23  21.586  21.385   0.344
  172   1HB   PRO  20          1HB       PRO  23  22.055  21.266  -2.443
  173   2HB   PRO  20          2HB       PRO  23  22.110  22.692  -1.373
  174   1HG   PRO  20          1HG       PRO  23  24.393  20.917  -2.245
  175   2HG   PRO  20          2HG       PRO  23  24.363  22.703  -2.131
  176   1HD   PRO  20          1HD       PRO  23  25.533  21.291  -0.212
  177   2HD   PRO  20          2HD       PRO  23  24.435  22.606   0.277
  178    H    ASN  21           H        ASN  24  23.314  18.471  -0.775
  179    HA   ASN  21           HA       ASN  24  20.688  17.273  -1.502
  180   1HB   ASN  21          1HB       ASN  24  22.618  17.198  -3.113
  181   2HB   ASN  21          2HB       ASN  24  23.495  16.202  -1.939
  182   1HD2  ASN  21          1HD2      ASN  24  22.163  13.459  -3.802
  183   2HD2  ASN  21          2HD2      ASN  24  23.601  14.390  -3.403
  184    H    GLN  22           H        GLN  25  21.870  17.705   1.448
  185    HA   GLN  22           HA       GLN  25  20.931  15.062   2.291
  186   1HB   GLN  22          1HB       GLN  25  23.359  16.145   3.703
  187   2HB   GLN  22          2HB       GLN  25  22.870  14.482   3.552
  188   1HG   GLN  22          1HG       GLN  25  23.685  14.489   1.118
  189   2HG   GLN  22          2HG       GLN  25  24.254  16.137   1.371
  190   1HE2  GLN  22          1HE2      GLN  25  26.459  12.960   2.669
  191   2HE2  GLN  22          2HE2      GLN  25  24.871  12.736   1.957
  192    H    LEU  23           H        LEU  26  20.672  14.730   4.535
  193    HA   LEU  23           HA       LEU  26  20.702  17.284   5.961
  194   1HB   LEU  23          1HB       LEU  26  18.923  14.787   6.332
  195   2HB   LEU  23          2HB       LEU  26  18.900  16.114   7.493
  196    HG   LEU  23           HG       LEU  26  18.046  16.635   4.650
  197   1HD1  LEU  23          2HD1      LEU  26  16.391  15.459   6.923
  198   2HD1  LEU  23          3HD1      LEU  26  15.729  16.092   5.410
  199   3HD1  LEU  23          1HD1      LEU  26  16.772  14.655   5.382
  200   1HD2  LEU  23          2HD2      LEU  26  18.341  18.541   6.171
  201   2HD2  LEU  23          3HD2      LEU  26  16.644  18.274   5.700
  202   3HD2  LEU  23          1HD2      LEU  26  17.188  17.775   7.312
  203    H    SER  24           H        SER  27  22.014  17.311   7.737
  204    HA   SER  24           HA       SER  27  23.460  14.838   8.373
  205   1HB   SER  24          1HB       SER  27  24.861  16.289   9.771
  206   2HB   SER  24          2HB       SER  27  24.739  16.911   8.121
  207    HG   SER  24           HG       SER  27  23.325  18.474   8.819
  208    H    LYS  25           H        LYS  28  23.794  14.437  10.805
  209    HA   LYS  25           HA       LYS  28  21.579  13.520  12.028
  210   1HB   LYS  25          1HB       LYS  28  22.756  13.905  14.278
  211   2HB   LYS  25          2HB       LYS  28  23.396  12.775  13.097
  212   1HG   LYS  25          1HG       LYS  28  25.050  14.436  12.352
  213   2HG   LYS  25          2HG       LYS  28  24.319  15.649  13.417
  214   1HD   LYS  25          1HD       LYS  28  24.927  14.332  15.403
  215   2HD   LYS  25          2HD       LYS  28  25.542  13.020  14.383
  216   1HE   LYS  25          1HE       LYS  28  27.369  14.408  15.291
  217   2HE   LYS  25          2HE       LYS  28  27.333  14.450  13.522
  218   1HZ   LYS  25          2HZ       LYS  28  26.143  16.511  15.248
  219   2HZ   LYS  25          3HZ       LYS  28  27.643  16.614  14.561
  220   3HZ   LYS  25          1HZ       LYS  28  26.302  16.562  13.610
  221    H    GLU  26           H        GLU  29  22.795  16.815  12.701
  222    HA   GLU  26           HA       GLU  29  20.810  17.466  14.622
  223   1HB   GLU  26          1HB       GLU  29  22.190  19.450  12.766
  224   2HB   GLU  26          2HB       GLU  29  21.507  19.740  14.367
  225   1HG   GLU  26          1HG       GLU  29  24.016  18.159  13.672
  226   2HG   GLU  26          2HG       GLU  29  23.895  19.660  14.582
  227    H    GLU  27           H        GLU  30  20.924  18.012  11.100
  228    HA   GLU  27           HA       GLU  30  18.479  19.476  10.912
  229   1HB   GLU  27          1HB       GLU  30  19.852  17.705   8.856
  230   2HB   GLU  27          2HB       GLU  30  18.631  18.948   8.536
  231   1HG   GLU  27          1HG       GLU  30  20.113  20.714   9.218
  232   2HG   GLU  27          2HG       GLU  30  21.345  19.574   9.786
  233    H    LEU  28           H        LEU  31  19.283  16.011  10.488
  234    HA   LEU  28           HA       LEU  31  16.674  15.093   9.842
  235   1HB   LEU  28          1HB       LEU  31  18.988  13.764  11.308
  236   2HB   LEU  28          2HB       LEU  31  17.521  12.892  10.833
  237    HG   LEU  28           HG       LEU  31  19.162  14.387   8.793
  238   1HD1  LEU  28          1HD1      LEU  31  20.648  12.824  10.049
  239   2HD1  LEU  28          2HD1      LEU  31  19.573  11.491   9.579
  240   3HD1  LEU  28          3HD1      LEU  31  20.453  12.435   8.351
  241   1HD2  LEU  28          2HD2      LEU  31  16.817  13.546   8.230
  242   2HD2  LEU  28          3HD2      LEU  31  18.076  12.811   7.240
  243   3HD2  LEU  28          1HD2      LEU  31  17.375  11.907   8.595
  244    H    LYS  29           H        LYS  32  18.375  15.220  13.002
  245    HA   LYS  29           HA       LYS  32  16.364  14.382  14.723
  246   1HB   LYS  29          1HB       LYS  32  18.613  14.790  15.493
  247   2HB   LYS  29          2HB       LYS  32  18.551  16.475  14.996
  248   1HG   LYS  29          1HG       LYS  32  18.394  16.375  17.360
  249   2HG   LYS  29          2HG       LYS  32  16.869  16.998  16.700
  250   1HD   LYS  29          1HD       LYS  32  15.751  14.887  17.131
  251   2HD   LYS  29          2HD       LYS  32  17.285  14.023  17.338
  252   1HE   LYS  29          1HE       LYS  32  17.751  15.141  19.431
  253   2HE   LYS  29          2HE       LYS  32  16.369  16.225  19.235
  254   1HZ   LYS  29          2HZ       LYS  32  16.201  13.312  19.547
  255   2HZ   LYS  29          3HZ       LYS  32  15.894  14.433  20.716
  256   3HZ   LYS  29          1HZ       LYS  32  14.926  14.347  19.390
  257    H    GLN  30           H        GLN  33  16.936  17.708  13.419
  258    HA   GLN  30           HA       GLN  33  14.764  18.779  14.857
  259   1HB   GLN  30          1HB       GLN  33  16.173  19.728  12.325
  260   2HB   GLN  30          2HB       GLN  33  14.828  20.632  13.023
  261   1HG   GLN  30          1HG       GLN  33  17.372  19.901  14.535
  262   2HG   GLN  30          2HG       GLN  33  17.070  21.459  13.755
  263   1HE2  GLN  30          1HE2      GLN  33  16.221  21.664  17.419
  264   2HE2  GLN  30          2HE2      GLN  33  17.660  21.168  16.542
  265    H    LEU  31           H        LEU  34  14.896  17.895  11.293
  266    HA   LEU  31           HA       LEU  34  12.238  18.133  10.680
  267   1HB   LEU  31          1HB       LEU  34  14.423  17.164   9.393
  268   2HB   LEU  31          2HB       LEU  34  13.619  15.642   9.680
  269    HG   LEU  31           HG       LEU  34  12.208  18.020   8.367
  270   1HD1  LEU  31          2HD1      LEU  34  13.834  15.818   7.054
  271   2HD1  LEU  31          3HD1      LEU  34  12.797  16.982   6.195
  272   3HD1  LEU  31          1HD1      LEU  34  14.225  17.551   7.077
  273   1HD2  LEU  31          1HD2      LEU  34  11.691  15.010   8.283
  274   2HD2  LEU  31          2HD2      LEU  34  10.697  16.223   9.116
  275   3HD2  LEU  31          3HD2      LEU  34  10.805  16.240   7.356
  276    H    ILE  32           H        ILE  35  13.667  15.408  12.075
  277    HA   ILE  32           HA       ILE  35  11.591  13.548  12.302
  278    HB   ILE  32           HB       ILE  35  14.085  14.098  13.852
  279   1HG1  ILE  32          1HG1      ILE  35  14.016  12.928  11.579
  280   2HG1  ILE  32          2HG1      ILE  35  14.955  12.185  12.876
  281   1HG2  ILE  32          2HG2      ILE  35  12.176  11.954  14.757
  282   2HG2  ILE  32          3HG2      ILE  35  13.904  12.061  15.147
  283   3HG2  ILE  32          1HG2      ILE  35  12.801  13.319  15.692
  284   1HD1  ILE  32          2HD1      ILE  35  12.152  11.304  12.056
  285   2HD1  ILE  32          3HD1      ILE  35  13.670  10.526  11.582
  286   3HD1  ILE  32          1HD1      ILE  35  13.188  10.524  13.275
  287    H    GLN  33           H        GLN  36  12.578  15.695  14.778
  288    HA   GLN  33           HA       GLN  36  10.293  15.223  16.507
  289   1HB   GLN  33          1HB       GLN  36  12.219  17.566  16.376
  290   2HB   GLN  33          2HB       GLN  36  11.048  17.320  17.674
  291   1HG   GLN  33          1HG       GLN  36  12.114  15.307  18.425
  292   2HG   GLN  33          2HG       GLN  36  13.173  15.241  17.006
  293   1HE2  GLN  33          1HE2      GLN  36  15.211  18.052  18.017
  294   2HE2  GLN  33          2HE2      GLN  36  14.440  17.322  16.600
  295    H    ALA  34           H        ALA  37  11.122  17.960  14.382
  296    HA   ALA  34           HA       ALA  37   8.893  19.565  14.932
  297   1HB   ALA  34          1HB       ALA  37  10.979  20.357  13.897
  298   2HB   ALA  34          2HB       ALA  37  10.601  19.446  12.417
  299   3HB   ALA  34          3HB       ALA  37   9.566  20.799  12.918
  300    H    GLU  35           H        GLU  38   9.186  16.940  12.491
  301    HA   GLU  35           HA       GLU  38   6.302  17.463  11.807
  302   1HB   GLU  35          1HB       GLU  38   8.550  16.921   9.844
  303   2HB   GLU  35          2HB       GLU  38   6.831  17.087   9.480
  304   1HG   GLU  35          1HG       GLU  38   6.952  19.441  10.460
  305   2HG   GLU  35          2HG       GLU  38   8.713  19.249  10.543
  306    H    PHE  36           H        PHE  39   8.929  14.969  11.491
  307    HA   PHE  36           HA       PHE  39   6.717  12.923  11.477
  308   1HB   PHE  36          1HB       PHE  39   8.949  13.090   9.456
  309   2HB   PHE  36          2HB       PHE  39   7.718  11.843   9.573
  310    HD1  PHE  36           HD1      PHE  39   5.206  12.635   9.402
  311    HD2  PHE  36           HD2      PHE  39   8.572  14.979   8.055
  312    HE1  PHE  36           HE1      PHE  39   3.779  13.716   7.686
  313    HE2  PHE  36           HE2      PHE  39   7.097  16.157   6.450
  314    HZ   PHE  36           HZ       PHE  39   4.737  15.428   6.167
  315    HA   PRO  37           HA       PRO  40  10.204  11.475  14.044
  316   1HB   PRO  37          1HB       PRO  40   8.906  10.737  16.340
  317   2HB   PRO  37          2HB       PRO  40   9.288  12.427  15.926
  318   1HG   PRO  37          1HG       PRO  40   6.682  10.972  15.377
  319   2HG   PRO  37          2HG       PRO  40   6.902  12.530  16.233
  320   1HD   PRO  37          1HD       PRO  40   6.305  12.477  13.587
  321   2HD   PRO  37          2HD       PRO  40   7.523  13.642  14.202
  322    H    SER  38           H        SER  41   9.218  10.040  11.882
  323    HA   SER  38           HA       SER  41   8.537   8.074  10.981
  324   1HB   SER  38          1HB       SER  41  10.565   7.138  13.028
  325   2HB   SER  38          2HB       SER  41  10.120   6.295  11.528
  326    HG   SER  38           HG       SER  41  11.264   8.900  11.737
  327    H    LEU  39           H        LEU  42   6.731   8.819  13.030
  328    HA   LEU  39           HA       LEU  42   5.195   8.107  14.559
  329   1HB   LEU  39          1HB       LEU  42   5.050   5.841  12.550
  330   2HB   LEU  39          2HB       LEU  42   3.749   6.331  13.650
  331    HG   LEU  39           HG       LEU  42   4.904   8.014  11.372
  332   1HD1  LEU  39          1HD1      LEU  42   3.580   6.094  10.596
  333   2HD1  LEU  39          2HD1      LEU  42   2.236   6.577  11.655
  334   3HD1  LEU  39          3HD1      LEU  42   2.727   7.618  10.302
  335   1HD2  LEU  39          1HD2      LEU  42   2.596   8.566  13.295
  336   2HD2  LEU  39          2HD2      LEU  42   4.103   9.501  13.156
  337   3HD2  LEU  39          3HD2      LEU  42   2.942   9.500  11.825
  338    H    LEU  40           H        LEU  43   7.837   7.359  15.301
  339    HA   LEU  40           HA       LEU  43   9.108   5.851  16.438
  340   1HB   LEU  40          1HB       LEU  43   6.583   5.984  18.118
  341   2HB   LEU  40          2HB       LEU  43   8.179   5.514  18.720
  342    HG   LEU  40           HG       LEU  43   7.462   8.260  17.597
  343   1HD1  LEU  40          1HD1      LEU  43   6.422   7.768  19.783
  344   2HD1  LEU  40          2HD1      LEU  43   8.012   7.323  20.444
  345   3HD1  LEU  40          3HD1      LEU  43   7.693   8.994  19.932
  346   1HD2  LEU  40          1HD2      LEU  43  10.044   7.186  18.827
  347   2HD2  LEU  40          2HD2      LEU  43   9.836   7.821  17.178
  348   3HD2  LEU  40          3HD2      LEU  43   9.690   8.905  18.561
  349    H    LYS  41           H        LYS  44   8.131   4.379  14.346
  350    HA   LYS  41           HA       LYS  44   6.807   1.981  15.264
  351   1HB   LYS  41          1HB       LYS  44   8.420   2.629  12.766
  352   2HB   LYS  41          2HB       LYS  44   7.620   1.075  13.009
  353   1HG   LYS  41          1HG       LYS  44   6.196   3.768  12.957
  354   2HG   LYS  41          2HG       LYS  44   6.296   2.612  11.620
  355   1HD   LYS  41          1HD       LYS  44   5.247   0.884  13.260
  356   2HD   LYS  41          2HD       LYS  44   4.830   2.282  14.271
  357   1HE   LYS  41          1HE       LYS  44   3.962   1.823  11.381
  358   2HE   LYS  41          2HE       LYS  44   2.961   1.618  12.827
  359   1HZ   LYS  41          1HZ       LYS  44   3.271   3.953  13.284
  360   2HZ   LYS  41          2HZ       LYS  44   4.143   4.131  11.896
  361   3HZ   LYS  41          3HZ       LYS  44   2.553   3.709  11.819
  362    H    GLY  42           H        GLY  45   7.745  -0.238  15.051
  363   1HA   GLY  42          1HA       GLY  45   9.192  -1.837  15.833
  364   2HA   GLY  42          2HA       GLY  45  10.483  -0.793  15.223
  365    HA   PRO  43           HA       PRO  46  10.958  -0.737  19.837
  366   1HB   PRO  43          1HB       PRO  46  13.651  -0.671  20.027
  367   2HB   PRO  43          2HB       PRO  46  12.802  -2.141  19.480
  368   1HG   PRO  43          1HG       PRO  46  14.076  -0.009  17.736
  369   2HG   PRO  43          2HG       PRO  46  14.332  -1.775  17.657
  370   1HD   PRO  43          1HD       PRO  46  12.540  -0.454  16.061
  371   2HD   PRO  43          2HD       PRO  46  12.227  -2.116  16.641
  372    NH1  ARG  44           NH1      ARG  47   7.988   0.739  21.203
  373    NH2  ARG  44           NH2      ARG  47   7.303   1.507  19.138
  374    H    ARG  44           H        ARG  47   9.819   1.417  19.030
  375    HA   ARG  44           HA       ARG  47   9.658   3.697  19.067
  376   1HB   ARG  44          1HB       ARG  47  11.963   3.594  21.045
  377   2HB   ARG  44          2HB       ARG  47  10.744   4.855  20.911
  378   1HG   ARG  44          1HG       ARG  47  10.224   1.985  21.814
  379   2HG   ARG  44          2HG       ARG  47  10.534   3.347  22.874
  380   1HD   ARG  44          1HD       ARG  47   8.148   3.007  22.851
  381   2HD   ARG  44          2HD       ARG  47   8.528   4.533  22.060
  382    HE   ARG  44           HE       ARG  47   7.590   3.755  20.133
  383   1HH1  ARG  44          1HH1      ARG  47   8.297   0.934  22.144
  384   2HH1  ARG  44          2HH1      ARG  47   7.879  -0.216  20.896
  385   1HH2  ARG  44          1HH2      ARG  47   7.160   2.287  18.499
  386   2HH2  ARG  44          2HH2      ARG  47   7.502   0.597  18.731
  387    H    THR  45           H        THR  48  10.890   3.026  16.764
  388    HA   THR  45           HA       THR  48  13.508   3.960  16.519
  389    HB   THR  45           HB       THR  48  11.424   3.529  14.353
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  14.385   4.132  14.420
  391   2HG2  THR  45          3HG2      THR  48  13.709   3.035  13.166
  392   3HG2  THR  45          1HG2      THR  48  13.159   4.715  13.325
  393    H    LEU  46           H        LEU  49  13.340   6.039  17.600
  394    HA   LEU  46           HA       LEU  49  12.394   8.228  15.822
  395   1HB   LEU  46          1HB       LEU  49  12.333   8.486  18.268
  396   2HB   LEU  46          2HB       LEU  49  14.092   8.355  18.350
  397    HG   LEU  46           HG       LEU  49  13.058  10.344  16.364
  398   1HD1  LEU  46          2HD1      LEU  49  12.666  10.815  19.341
  399   2HD1  LEU  46          3HD1      LEU  49  12.514  12.043  18.067
  400   3HD1  LEU  46          1HD1      LEU  49  11.389  10.678  18.110
  401   1HD2  LEU  46          1HD2      LEU  49  15.096  10.544  18.642
  402   2HD2  LEU  46          2HD2      LEU  49  15.496  10.164  16.957
  403   3HD2  LEU  46          3HD2      LEU  49  14.843  11.754  17.374
  404    H    ASP  47           H        ASP  50  15.201   6.170  16.447
  405    HA   ASP  47           HA       ASP  50  16.603   7.532  14.282
  406   1HB   ASP  47          1HB       ASP  50  17.390   8.507  16.488
  407   2HB   ASP  47          2HB       ASP  50  17.779   6.863  17.031
  408    H    ASP  48           H        ASP  51  16.127   4.372  15.667
  409    HA   ASP  48           HA       ASP  51  18.373   3.063  14.761
  410   1HB   ASP  48          1HB       ASP  51  16.569   1.870  15.852
  411   2HB   ASP  48          2HB       ASP  51  15.498   2.104  14.467
  412    H    LEU  49           H        LEU  52  15.560   3.738  12.580
  413    HA   LEU  49           HA       LEU  52  16.904   2.831  10.242
  414   1HB   LEU  49          1HB       LEU  52  15.126   3.832   8.964
  415   2HB   LEU  49          2HB       LEU  52  14.531   2.950  10.365
  416    HG   LEU  49           HG       LEU  52  14.563   5.396  11.492
  417   1HD1  LEU  49          1HD1      LEU  52  15.458   6.533   9.369
  418   2HD1  LEU  49          2HD1      LEU  52  13.982   6.017   8.559
  419   3HD1  LEU  49          3HD1      LEU  52  13.900   7.128   9.945
  420   1HD2  LEU  49          2HD2      LEU  52  12.577   3.877  11.165
  421   2HD2  LEU  49          3HD2      LEU  52  12.220   5.596  10.932
  422   3HD2  LEU  49          1HD2      LEU  52  12.406   4.534   9.528
  423    H    PHE  50           H        PHE  53  16.724   6.043  11.721
  424    HA   PHE  50           HA       PHE  53  17.916   7.641   9.735
  425   1HB   PHE  50          1HB       PHE  53  16.829   8.293  11.908
  426   2HB   PHE  50          2HB       PHE  53  18.293   7.791  12.748
  427    HD1  PHE  50           HD2      PHE  53  20.547   9.026  11.375
  428    HD2  PHE  50           HD1      PHE  53  16.641  10.462  12.540
  429    HE1  PHE  50           HE2      PHE  53  21.574  10.936  12.493
  430    HE2  PHE  50           HE1      PHE  53  17.697  12.358  13.690
  431    HZ   PHE  50           HZ       PHE  53  20.165  12.565  13.746
  432    H    GLN  51           H        GLN  54  19.387   5.726  12.388
  433    HA   GLN  51           HA       GLN  54  22.074   6.235  11.637
  434   1HB   GLN  51          1HB       GLN  54  21.343   5.476  13.893
  435   2HB   GLN  51          2HB       GLN  54  20.874   3.908  13.218
  436   1HG   GLN  51          1HG       GLN  54  23.256   3.483  12.591
  437   2HG   GLN  51          2HG       GLN  54  23.694   5.075  13.233
  438   1HE2  GLN  51          1HE2      GLN  54  22.512   2.163  15.940
  439   2HE2  GLN  51          2HE2      GLN  54  21.741   2.218  14.363
  440    H    GLU  52           H        GLU  55  19.871   3.446  10.862
  441    HA   GLU  52           HA       GLU  55  21.784   1.981   9.362
  442   1HB   GLU  52          1HB       GLU  55  18.785   2.265   8.937
  443   2HB   GLU  52          2HB       GLU  55  19.804   1.108   8.077
  444   1HG   GLU  52          1HG       GLU  55  20.446  -0.007  10.130
  445   2HG   GLU  52          2HG       GLU  55  19.609   1.185  11.122
  446    H    LEU  53           H        LEU  56  19.866   4.820   8.424
  447    HA   LEU  53           HA       LEU  56  20.833   4.796   5.650
  448   1HB   LEU  53          1HB       LEU  56  19.171   6.761   7.253
  449   2HB   LEU  53          2HB       LEU  56  19.474   6.877   5.523
  450    HG   LEU  53           HG       LEU  56  18.068   4.503   6.822
  451   1HD1  LEU  53          1HD1      LEU  56  16.774   6.578   7.100
  452   2HD1  LEU  53          2HD1      LEU  56  16.899   6.900   5.358
  453   3HD1  LEU  53          3HD1      LEU  56  15.997   5.483   5.944
  454   1HD2  LEU  53          1HD2      LEU  56  18.281   5.299   3.894
  455   2HD2  LEU  53          2HD2      LEU  56  19.112   3.924   4.654
  456   3HD2  LEU  53          3HD2      LEU  56  17.359   3.941   4.569
  457    H    ASP  54           H        ASP  57  22.125   5.987   8.584
  458    HA   ASP  54           HA       ASP  57  23.644   8.329   7.647
  459   1HB   ASP  54          1HB       ASP  57  22.973   7.921  10.000
  460   2HB   ASP  54          2HB       ASP  57  23.952   6.438  10.010
  461    H    LYS  55           H        LYS  58  24.227   7.221   5.575
  462    HA   LYS  55           HA       LYS  58  26.035   5.167   5.265
  463   1HB   LYS  55          1HB       LYS  58  26.131   7.884   3.901
  464   2HB   LYS  55          2HB       LYS  58  27.013   6.442   3.363
  465   1HG   LYS  55          1HG       LYS  58  24.779   5.221   3.261
  466   2HG   LYS  55          2HG       LYS  58  23.993   6.792   3.489
  467   1HD   LYS  55          1HD       LYS  58  25.923   6.040   1.229
  468   2HD   LYS  55          2HD       LYS  58  24.168   6.131   1.101
  469   1HE   LYS  55          1HE       LYS  58  24.363   8.595   1.831
  470   2HE   LYS  55          2HE       LYS  58  26.116   8.427   1.604
  471   1HZ   LYS  55          1HZ       LYS  58  25.631   7.737  -0.674
  472   2HZ   LYS  55          2HZ       LYS  58  24.029   8.056  -0.417
  473   3HZ   LYS  55          3HZ       LYS  58  25.137   9.277  -0.356
  474    H    ASN  56           H        ASN  59  27.010   8.444   6.417
  475    HA   ASN  56           HA       ASN  59  29.812   7.635   6.385
  476   1HB   ASN  56          1HB       ASN  59  30.423   9.749   6.808
  477   2HB   ASN  56          2HB       ASN  59  28.918   9.986   5.920
  478   1HD2  ASN  56          1HD2      ASN  59  29.089  12.282   8.940
  479   2HD2  ASN  56          2HD2      ASN  59  30.081  12.027   7.508
  480    H    GLY  57           H        GLY  60  27.433   6.794   8.566
  481   1HA   GLY  57          1HA       GLY  60  27.502   5.907  10.649
  482   2HA   GLY  57          2HA       GLY  60  29.246   5.705  10.434
  483    H    ASP  58           H        ASP  61  27.881   8.925  10.283
  484    HA   ASP  58           HA       ASP  61  28.662   9.548  13.101
  485   1HB   ASP  58          1HB       ASP  61  30.438  10.614  12.253
  486   2HB   ASP  58          2HB       ASP  61  29.848  10.569  10.605
  487    H    GLY  59           H        GLY  62  26.829  10.588  10.183
  488   1HA   GLY  59          1HA       GLY  62  24.312  10.770  11.188
  489   2HA   GLY  59          2HA       GLY  62  25.067  12.242  11.827
  490    H    GLU  60           H        GLU  63  24.695  10.436   8.773
  491    HA   GLU  60           HA       GLU  63  24.410  12.976   7.222
  492   1HB   GLU  60          1HB       GLU  63  26.748  12.073   7.299
  493   2HB   GLU  60          2HB       GLU  63  26.099  10.527   6.654
  494   1HG   GLU  60          1HG       GLU  63  25.449  11.718   4.564
  495   2HG   GLU  60          2HG       GLU  63  25.835  13.289   5.290
  496    H    VAL  61           H        VAL  64  22.224  12.658   6.446
  497    HA   VAL  61           HA       VAL  64  21.835  10.099   4.905
  498    HB   VAL  61           HB       VAL  64  19.715  11.570   6.468
  499   1HG1  VAL  61          2HG1      VAL  64  19.747   8.973   4.905
  500   2HG1  VAL  61          3HG1      VAL  64  18.417   9.484   5.963
  501   3HG1  VAL  61          1HG1      VAL  64  18.821  10.438   4.515
  502   1HG2  VAL  61          1HG2      VAL  64  21.095   8.901   7.028
  503   2HG2  VAL  61          2HG2      VAL  64  21.299  10.346   8.018
  504   3HG2  VAL  61          3HG2      VAL  64  19.723   9.550   7.939
  505    H    SER  62           H        SER  65  22.487  10.765   3.031
  506    HA   SER  62           HA       SER  65  21.918  13.200   1.747
  507   1HB   SER  62          1HB       SER  65  22.306  10.480   0.500
  508   2HB   SER  62          2HB       SER  65  22.787  12.057  -0.179
  509    HG   SER  62           HG       SER  65  24.525  10.823   0.799
  510    H    PHE  63           H        PHE  66  20.361  13.538  -0.059
  511    HA   PHE  63           HA       PHE  66  17.721  12.986   0.500
  512   1HB   PHE  63          1HB       PHE  66  18.473  14.603  -1.243
  513   2HB   PHE  63          2HB       PHE  66  18.906  13.267  -2.289
  514    HD1  PHE  63           HD2      PHE  66  16.022  14.790  -0.430
  515    HD2  PHE  63           HD1      PHE  66  17.235  12.202  -3.665
  516    HE1  PHE  63           HE2      PHE  66  13.659  14.548  -1.126
  517    HE2  PHE  63           HE1      PHE  66  14.867  11.951  -4.345
  518    HZ   PHE  63           HZ       PHE  66  13.075  13.117  -3.078
  519    H    GLU  64           H        GLU  67  19.821  11.152  -1.661
  520    HA   GLU  64           HA       GLU  67  18.136   9.258  -2.701
  521   1HB   GLU  64          1HB       GLU  67  21.033   8.821  -1.847
  522   2HB   GLU  64          2HB       GLU  67  20.096   7.817  -2.944
  523   1HG   GLU  64          1HG       GLU  67  21.383   9.149  -4.367
  524   2HG   GLU  64          2HG       GLU  67  19.778   9.880  -4.428
  525    H    GLU  65           H        GLU  68  19.839   9.086   0.443
  526    HA   GLU  65           HA       GLU  68  18.604   6.526   1.147
  527   1HB   GLU  65          1HB       GLU  68  20.599   8.367   2.569
  528   2HB   GLU  65          2HB       GLU  68  19.856   6.993   3.359
  529   1HG   GLU  65          1HG       GLU  68  21.967   6.328   2.443
  530   2HG   GLU  65          2HG       GLU  68  20.655   5.448   1.661
  531    H    PHE  66           H        PHE  69  18.189   9.957   1.983
  532    HA   PHE  66           HA       PHE  69  16.352   9.751   4.071
  533   1HB   PHE  66          1HB       PHE  69  17.393  11.868   3.232
  534   2HB   PHE  66          2HB       PHE  69  16.344  11.784   1.820
  535    HD1  PHE  66           HD1      PHE  69  16.062  11.712   5.581
  536    HD2  PHE  66           HD2      PHE  69  14.387  13.066   1.839
  537    HE1  PHE  66           HE1      PHE  69  14.304  12.957   6.810
  538    HE2  PHE  66           HE2      PHE  69  12.667  14.345   3.079
  539    HZ   PHE  66           HZ       PHE  69  12.594  14.260   5.560
  540    H    GLN  67           H        GLN  70  15.789   9.446   0.569
  541    HA   GLN  67           HA       GLN  70  13.011   9.392   0.402
  542   1HB   GLN  67          1HB       GLN  70  15.030   7.531  -0.888
  543   2HB   GLN  67          2HB       GLN  70  13.332   7.598  -1.360
  544   1HG   GLN  67          1HG       GLN  70  13.489   9.905  -2.055
  545   2HG   GLN  67          2HG       GLN  70  15.157  10.031  -1.512
  546   1HE2  GLN  67          1HE2      GLN  70  16.264   7.689  -4.197
  547   2HE2  GLN  67          2HE2      GLN  70  16.382   7.713  -2.441
  548    H    VAL  68           H        VAL  71  15.142   6.792   1.712
  549    HA   VAL  68           HA       VAL  71  13.057   4.833   1.933
  550    HB   VAL  68           HB       VAL  71  15.677   5.100   3.454
  551   1HG1  VAL  68          2HG1      VAL  71  13.795   2.734   3.079
  552   2HG1  VAL  68          3HG1      VAL  71  15.442   2.615   3.731
  553   3HG1  VAL  68          1HG1      VAL  71  14.220   3.540   4.609
  554   1HG2  VAL  68          1HG2      VAL  71  14.993   3.572   0.901
  555   2HG2  VAL  68          2HG2      VAL  71  16.059   4.989   1.008
  556   3HG2  VAL  68          3HG2      VAL  71  16.533   3.475   1.778
  557    H    LEU  69           H        LEU  72  14.359   7.309   4.168
  558    HA   LEU  69           HA       LEU  72  12.813   6.578   6.450
  559   1HB   LEU  69          1HB       LEU  72  14.753   8.089   6.474
  560   2HB   LEU  69          2HB       LEU  72  13.863   9.342   5.620
  561    HG   LEU  69           HG       LEU  72  12.841   8.245   8.233
  562   1HD1  LEU  69          1HD1      LEU  72  15.222   8.937   8.586
  563   2HD1  LEU  69          2HD1      LEU  72  14.871  10.503   7.830
  564   3HD1  LEU  69          3HD1      LEU  72  14.117  10.072   9.376
  565   1HD2  LEU  69          1HD2      LEU  72  12.502  10.915   6.814
  566   2HD2  LEU  69          2HD2      LEU  72  11.253   9.694   7.138
  567   3HD2  LEU  69          3HD2      LEU  72  11.962  10.590   8.474
  568    H    VAL  70           H        VAL  73  12.320   9.060   3.967
  569    HA   VAL  70           HA       VAL  73   9.739   9.876   4.647
  570    HB   VAL  70           HB       VAL  73  11.019   9.722   1.886
  571   1HG1  VAL  70          2HG1      VAL  73   8.512  11.198   2.799
  572   2HG1  VAL  70          3HG1      VAL  73   9.368  11.518   1.278
  573   3HG1  VAL  70          1HG1      VAL  73   8.610   9.948   1.544
  574   1HG2  VAL  70          2HG2      VAL  73  12.220  11.143   3.547
  575   2HG2  VAL  70          3HG2      VAL  73  11.472  12.108   2.268
  576   3HG2  VAL  70          1HG2      VAL  73  10.714  12.021   3.873
  577    H    LYS  71           H        LYS  74  10.649   7.147   2.480
  578    HA   LYS  71           HA       LYS  74   8.099   6.437   1.629
  579   1HB   LYS  71          1HB       LYS  74  10.256   5.459   0.812
  580   2HB   LYS  71          2HB       LYS  74  10.401   4.560   2.317
  581   1HG   LYS  71          1HG       LYS  74   9.575   3.134   0.526
  582   2HG   LYS  71          2HG       LYS  74   8.398   3.265   1.825
  583   1HD   LYS  71          1HD       LYS  74   7.361   3.337  -0.423
  584   2HD   LYS  71          2HD       LYS  74   6.992   4.762   0.537
  585   1HE   LYS  71          1HE       LYS  74   7.493   5.330  -1.820
  586   2HE   LYS  71          2HE       LYS  74   8.655   6.090  -0.730
  587   1HZ   LYS  71          2HZ       LYS  74   9.103   3.620  -2.258
  588   2HZ   LYS  71          3HZ       LYS  74   9.713   5.107  -2.618
  589   3HZ   LYS  71          1HZ       LYS  74  10.192   4.333  -1.245
  590    H    LYS  72           H        LYS  75   9.778   5.491   4.695
  591    HA   LYS  72           HA       LYS  75   7.632   3.823   5.605
  592   1HB   LYS  72          1HB       LYS  75   9.854   5.260   7.076
  593   2HB   LYS  72          2HB       LYS  75   8.778   4.069   7.817
  594   1HG   LYS  72          1HG       LYS  75   9.572   2.288   6.495
  595   2HG   LYS  72          2HG       LYS  75  10.287   3.348   5.269
  596   1HD   LYS  72          1HD       LYS  75  11.936   4.182   6.815
  597   2HD   LYS  72          2HD       LYS  75  11.307   3.138   8.117
  598   1HE   LYS  72          1HE       LYS  75  12.456   2.146   5.461
  599   2HE   LYS  72          2HE       LYS  75  13.351   2.206   6.989
  600   1HZ   LYS  72          1HZ       LYS  75  11.738   0.702   7.917
  601   2HZ   LYS  72          2HZ       LYS  75  10.934   0.620   6.479
  602   3HZ   LYS  72          3HZ       LYS  75  12.473   0.047   6.596
  603    H    ILE  73           H        ILE  76   7.988   7.332   5.549
  604    HA   ILE  73           HA       ILE  76   5.973   7.829   7.591
  605    HB   ILE  73           HB       ILE  76   6.570   9.726   5.299
  606   1HG1  ILE  73          1HG1      ILE  76   8.357   9.546   7.758
  607   2HG1  ILE  73          2HG1      ILE  76   8.754   9.051   6.186
  608   1HG2  ILE  73          1HG2      ILE  76   4.684  10.140   6.920
  609   2HG2  ILE  73          2HG2      ILE  76   5.904  10.293   8.200
  610   3HG2  ILE  73          3HG2      ILE  76   5.884  11.419   6.820
  611   1HD1  ILE  73          1HD1      ILE  76   8.257  11.463   5.405
  612   2HD1  ILE  73          2HD1      ILE  76   8.063  11.873   7.115
  613   3HD1  ILE  73          3HD1      ILE  76   9.622  11.303   6.533
  614    H    SER  74           H        SER  77   6.144   7.845   4.048
  615    HA   SER  74           HA       SER  77   4.695   7.507   2.372
  616   1HB   SER  74          1HB       SER  77   2.941   6.185   4.502
  617   2HB   SER  74          2HB       SER  77   2.526   6.260   2.794
  618    HG   SER  74           HG       SER  77   5.063   5.294   3.566
  619    H    GLN  75           H        GLN  78   2.847   8.302   1.309
  620    HA   GLN  75           HA       GLN  78   1.994  10.920   2.444
  621   1HB   GLN  75          1HB       GLN  78   1.956  10.085  -0.467
  622   2HB   GLN  75          2HB       GLN  78   1.855  11.709   0.230
  623   1HG   GLN  75          1HG       GLN  78   4.264   9.829   0.157
  624   2HG   GLN  75          2HG       GLN  78   4.091  11.388  -0.659
  625   1HE2  GLN  75          1HE2      GLN  78   4.472  13.205   2.539
  626   2HE2  GLN  75          2HE2      GLN  78   3.390  13.218   1.154
   
  No H/Q in entry =         627
  Start of MODEL          11
 Raw file had 628 H/Q atoms
  Start of MODEL   11
    1   1H    SER  -2           2H       SER   1  -2.825  21.205   0.012
    2   2H    SER  -2           3H       SER   1  -1.423  21.849   0.699
    3   3H    SER  -2           1H       SER   1  -2.532  22.839  -0.097
    4    HA   SER  -2           HA       SER   1  -1.041  22.542  -1.742
    5   1HB   SER  -2          1HB       SER   1  -0.327  19.744  -0.818
    6   2HB   SER  -2          2HB       SER   1   0.712  20.995  -1.533
    7    HG   SER  -2           HG       SER   1   1.053  20.807   0.739
    8    H    ALA  -1           H        ALA   2  -0.943  20.929  -3.738
    9    HA   ALA  -1           HA       ALA   2  -3.635  19.824  -4.193
   10   1HB   ALA  -1          1HB       ALA   2  -2.402  21.212  -5.886
   11   2HB   ALA  -1          2HB       ALA   2  -1.183  19.925  -6.010
   12   3HB   ALA  -1          3HB       ALA   2  -2.870  19.622  -6.492
   13    H    GLN   0           H        GLN   3  -2.398  17.679  -5.996
   14    HA   GLN   0           HA       GLN   3  -2.439  15.510  -4.183
   15   1HB   GLN   0          1HB       GLN   3  -1.189  15.753  -6.967
   16   2HB   GLN   0          2HB       GLN   3  -1.330  14.256  -6.050
   17   1HG   GLN   0          1HG       GLN   3  -3.133  14.212  -7.540
   18   2HG   GLN   0          2HG       GLN   3  -3.829  14.577  -5.955
   19   1HE2  GLN   0          1HE2      GLN   3  -5.637  16.863  -8.115
   20   2HE2  GLN   0          2HE2      GLN   3  -5.663  15.204  -7.549
   21    H    LYS   1           H        LYS   4  -0.940  14.867  -2.702
   22    HA   LYS   1           HA       LYS   4   1.438  16.251  -2.220
   23   1HB   LYS   1          1HB       LYS   4   0.671  13.395  -1.510
   24   2HB   LYS   1          2HB       LYS   4   2.121  14.208  -0.905
   25   1HG   LYS   1          1HG       LYS   4  -0.696  15.314  -0.465
   26   2HG   LYS   1          2HG       LYS   4   0.115  14.204   0.651
   27   1HD   LYS   1          1HD       LYS   4   2.003  15.813   0.893
   28   2HD   LYS   1          2HD       LYS   4   1.150  16.960  -0.158
   29   1HE   LYS   1          1HE       LYS   4  -0.714  17.100   1.421
   30   2HE   LYS   1          2HE       LYS   4   0.053  15.896   2.476
   31   1HZ   LYS   1          2HZ       LYS   4   1.217  18.507   1.790
   32   2HZ   LYS   1          3HZ       LYS   4   0.451  18.136   3.205
   33   3HZ   LYS   1          1HZ       LYS   4   1.861  17.386   2.806
   34    H    SER   2           H        SER   5   3.316  16.313  -3.155
   35    HA   SER   2           HA       SER   5   4.165  14.184  -5.056
   36   1HB   SER   2          1HB       SER   5   4.316  17.219  -5.411
   37   2HB   SER   2          2HB       SER   5   4.950  16.014  -6.545
   38    HG   SER   2           HG       SER   5   2.207  16.271  -5.772
   39    HA   PRO   3           HA       PRO   6   7.837  14.144  -2.639
   40   1HB   PRO   3          1HB       PRO   6   9.864  13.977  -4.575
   41   2HB   PRO   3          2HB       PRO   6   8.886  12.626  -3.942
   42   1HG   PRO   3          1HG       PRO   6   8.418  14.233  -6.457
   43   2HG   PRO   3          2HG       PRO   6   8.340  12.459  -6.252
   44   1HD   PRO   3          1HD       PRO   6   6.092  13.915  -6.276
   45   2HD   PRO   3          2HD       PRO   6   6.263  12.621  -5.056
   46    H    ALA   4           H        ALA   7   7.861  16.428  -5.385
   47    HA   ALA   4           HA       ALA   7   9.887  18.115  -4.642
   48   1HB   ALA   4          1HB       ALA   7   8.618  18.308  -6.753
   49   2HB   ALA   4          2HB       ALA   7   7.207  18.905  -5.846
   50   3HB   ALA   4          3HB       ALA   7   8.698  19.869  -5.913
   51    H    GLU   5           H        GLU   8   6.774  17.958  -3.298
   52    HA   GLU   5           HA       GLU   8   6.758  20.425  -1.826
   53   1HB   GLU   5          1HB       GLU   8   4.773  19.008  -2.376
   54   2HB   GLU   5          2HB       GLU   8   5.267  17.848  -1.130
   55   1HG   GLU   5          1HG       GLU   8   5.038  19.584   0.605
   56   2HG   GLU   5          2HG       GLU   8   4.654  20.797  -0.630
   57    H    LEU   6           H        LEU   9   7.516  17.065  -0.823
   58    HA   LEU   6           HA       LEU   9   8.502  17.855   1.761
   59   1HB   LEU   6          1HB       LEU   9   9.010  15.306   0.179
   60   2HB   LEU   6          2HB       LEU   9   9.348  15.528   1.900
   61    HG   LEU   6           HG       LEU   9   6.571  15.623   0.622
   62   1HD1  LEU   6          1HD1      LEU   9   7.579  13.377   0.609
   63   2HD1  LEU   6          2HD1      LEU   9   7.910  13.506   2.352
   64   3HD1  LEU   6          3HD1      LEU   9   6.234  13.469   1.761
   65   1HD2  LEU   6          1HD2      LEU   9   7.452  15.764   3.546
   66   2HD2  LEU   6          2HD2      LEU   9   6.603  17.032   2.632
   67   3HD2  LEU   6          3HD2      LEU   9   5.781  15.515   3.000
   68    H    LYS   7           H        LYS  10   9.903  17.333  -1.280
   69    HA   LYS   7           HA       LYS  10  12.639  17.420  -0.592
   70   1HB   LYS   7          1HB       LYS  10  11.741  16.765  -2.837
   71   2HB   LYS   7          2HB       LYS  10  11.554  18.497  -3.202
   72   1HG   LYS   7          1HG       LYS  10  13.942  18.869  -2.901
   73   2HG   LYS   7          2HG       LYS  10  14.171  17.211  -2.319
   74   1HD   LYS   7          1HD       LYS  10  13.494  16.331  -4.542
   75   2HD   LYS   7          2HD       LYS  10  13.220  17.987  -5.113
   76   1HE   LYS   7          1HE       LYS  10  15.396  17.183  -5.891
   77   2HE   LYS   7          2HE       LYS  10  15.622  18.521  -4.753
   78   1HZ   LYS   7          2HZ       LYS  10  15.854  15.663  -4.085
   79   2HZ   LYS   7          3HZ       LYS  10  17.116  16.688  -4.356
   80   3HZ   LYS   7          1HZ       LYS  10  16.130  16.920  -3.060
   81    H    SER   8           H        SER  11  10.340  20.085  -1.351
   82    HA   SER   8           HA       SER  11  12.177  22.228  -1.221
   83   1HB   SER   8          1HB       SER  11   9.262  22.193  -0.316
   84   2HB   SER   8          2HB       SER  11  10.235  23.628  -0.678
   85    HG   SER   8           HG       SER  11   9.628  21.529  -2.515
   86    H    ILE   9           H        ILE  12  10.262  20.743   1.451
   87    HA   ILE   9           HA       ILE  12  11.338  22.409   3.513
   88    HB   ILE   9           HB       ILE  12  10.145  19.610   3.682
   89   1HG1  ILE   9          1HG1      ILE  12   8.866  22.348   4.141
   90   2HG1  ILE   9          2HG1      ILE  12   8.668  21.397   2.666
   91   1HG2  ILE   9          2HG2      ILE  12  10.629  21.707   5.850
   92   2HG2  ILE   9          3HG2      ILE  12   9.758  20.181   6.081
   93   3HG2  ILE   9          1HG2      ILE  12  11.471  20.152   5.705
   94   1HD1  ILE   9          1HD1      ILE  12   7.680  19.538   3.998
   95   2HD1  ILE   9          2HD1      ILE  12   7.680  20.612   5.421
   96   3HD1  ILE   9          3HD1      ILE  12   6.736  21.038   3.990
   97    H    PHE  10           H        PHE  13  12.229  19.153   2.357
   98    HA   PHE  10           HA       PHE  13  14.390  18.566   4.031
   99   1HB   PHE  10          1HB       PHE  13  13.487  16.967   2.467
  100   2HB   PHE  10          2HB       PHE  13  13.871  17.995   1.101
  101    HD1  PHE  10           HD2      PHE  13  16.221  18.376   0.333
  102    HD2  PHE  10           HD1      PHE  13  15.147  15.428   3.292
  103    HE1  PHE  10           HE2      PHE  13  18.489  17.451   0.223
  104    HE2  PHE  10           HE1      PHE  13  17.374  14.366   3.013
  105    HZ   PHE  10           HZ       PHE  13  19.057  15.406   1.557
  106    H    GLU  11           H        GLU  14  14.461  20.358   0.912
  107    HA   GLU  11           HA       GLU  14  17.221  21.003   0.939
  108   1HB   GLU  11          1HB       GLU  14  14.826  22.330  -0.389
  109   2HB   GLU  11          2HB       GLU  14  16.493  22.876  -0.621
  110   1HG   GLU  11          1HG       GLU  14  17.161  20.701  -1.517
  111   2HG   GLU  11          2HG       GLU  14  15.557  20.037  -1.222
  112    H    LYS  12           H        LYS  15  14.357  22.773   2.232
  113    HA   LYS  12           HA       LYS  15  15.682  25.092   3.030
  114   1HB   LYS  12          1HB       LYS  15  13.144  24.450   3.158
  115   2HB   LYS  12          2HB       LYS  15  13.538  23.777   4.731
  116   1HG   LYS  12          1HG       LYS  15  12.676  25.959   5.078
  117   2HG   LYS  12          2HG       LYS  15  14.391  25.982   5.487
  118   1HD   LYS  12          1HD       LYS  15  13.650  28.005   4.282
  119   2HD   LYS  12          2HD       LYS  15  14.922  27.164   3.397
  120   1HE   LYS  12          1HE       LYS  15  13.298  26.239   1.817
  121   2HE   LYS  12          2HE       LYS  15  11.941  26.829   2.801
  122   1HZ   LYS  12          2HZ       LYS  15  13.923  28.511   1.438
  123   2HZ   LYS  12          3HZ       LYS  15  12.386  28.216   0.922
  124   3HZ   LYS  12          1HZ       LYS  15  12.639  29.050   2.320
  125    OH   TYR  13           OH       TYR  16  12.346  21.179  10.701
  126    H    TYR  13           H        TYR  16  15.503  21.935   4.691
  127    HA   TYR  13           HA       TYR  16  17.008  22.843   7.040
  128   1HB   TYR  13          1HB       TYR  16  16.110  20.137   5.987
  129   2HB   TYR  13          2HB       TYR  16  17.308  20.269   7.265
  130    HD1  TYR  13           HD1      TYR  16  13.988  21.943   6.543
  131    HD2  TYR  13           HD2      TYR  16  16.433  19.768   9.385
  132    HE1  TYR  13           HE1      TYR  16  12.186  22.055   8.221
  133    HE2  TYR  13           HE2      TYR  16  14.749  20.079  11.067
  134    HH   TYR  13           HH       TYR  16  12.586  20.792  11.546
  135    H    ALA  14           H        ALA  17  17.776  20.563   4.374
  136    HA   ALA  14           HA       ALA  17  20.439  20.141   4.970
  137   1HB   ALA  14          2HB       ALA  17  19.050  20.168   2.249
  138   2HB   ALA  14          3HB       ALA  17  20.651  19.473   2.561
  139   3HB   ALA  14          1HB       ALA  17  19.230  18.796   3.365
  140    H    ALA  15           H        ALA  18  19.118  22.829   3.040
  141    HA   ALA  15           HA       ALA  18  21.454  23.949   2.036
  142   1HB   ALA  15          2HB       ALA  18  18.973  25.363   3.095
  143   2HB   ALA  15          3HB       ALA  18  20.207  26.090   2.043
  144   3HB   ALA  15          1HB       ALA  18  19.221  24.745   1.445
  145    H    LYS  16           H        LYS  19  20.284  24.075   5.424
  146    HA   LYS  16           HA       LYS  19  21.891  26.266   6.271
  147   1HB   LYS  16          1HB       LYS  19  21.073  23.798   7.853
  148   2HB   LYS  16          2HB       LYS  19  21.612  25.337   8.527
  149   1HG   LYS  16          1HG       LYS  19  19.044  24.905   6.921
  150   2HG   LYS  16          2HG       LYS  19  19.181  25.071   8.669
  151   1HD   LYS  16          1HD       LYS  19  20.099  27.383   8.351
  152   2HD   LYS  16          2HD       LYS  19  19.869  27.204   6.596
  153   1HE   LYS  16          1HE       LYS  19  17.446  26.813   6.936
  154   2HE   LYS  16          2HE       LYS  19  17.655  27.022   8.685
  155   1HZ   LYS  16          1HZ       LYS  19  18.411  29.250   8.261
  156   2HZ   LYS  16          2HZ       LYS  19  18.203  29.053   6.636
  157   3HZ   LYS  16          3HZ       LYS  19  16.900  29.017   7.645
  158    H    GLU  17           H        GLU  20  22.757  22.950   5.511
  159    HA   GLU  17           HA       GLU  20  25.403  23.106   6.801
  160   1HB   GLU  17          1HB       GLU  20  24.080  21.061   4.997
  161   2HB   GLU  17          2HB       GLU  20  25.606  20.826   5.862
  162   1HG   GLU  17          1HG       GLU  20  24.492  21.033   8.036
  163   2HG   GLU  17          2HG       GLU  20  22.949  21.430   7.269
  164    H    GLY  18           H        GLY  21  24.041  24.228   3.921
  165   1HA   GLY  18          1HA       GLY  21  25.377  25.531   2.420
  166   2HA   GLY  18          2HA       GLY  21  26.680  24.332   2.496
  167    H    ASP  19           H        ASP  22  26.156  22.122   1.688
  168    HA   ASP  19           HA       ASP  22  24.876  22.229  -0.882
  169   1HB   ASP  19          1HB       ASP  22  25.880  19.876   0.766
  170   2HB   ASP  19          2HB       ASP  22  25.314  19.770  -0.906
  171    HA   PRO  20           HA       PRO  23  20.860  21.318   1.095
  172   1HB   PRO  20          1HB       PRO  23  19.155  21.933  -0.897
  173   2HB   PRO  20          2HB       PRO  23  20.152  23.180  -0.112
  174   1HG   PRO  20          1HG       PRO  23  20.788  21.716  -2.689
  175   2HG   PRO  20          2HG       PRO  23  20.728  23.485  -2.428
  176   1HD   PRO  20          1HD       PRO  23  23.060  22.058  -2.270
  177   2HD   PRO  20          2HD       PRO  23  22.742  23.465  -1.215
  178    H    ASN  21           H        ASN  24  22.330  19.072   0.617
  179    HA   ASN  21           HA       ASN  24  20.464  17.296  -0.886
  180   1HB   ASN  21          1HB       ASN  24  22.493  17.815  -2.249
  181   2HB   ASN  21          2HB       ASN  24  23.489  17.096  -0.971
  182   1HD2  ASN  21          1HD2      ASN  24  23.205  14.014  -2.703
  183   2HD2  ASN  21          2HD2      ASN  24  24.263  15.227  -2.008
  184    H    GLN  22           H        GLN  25  21.756  17.831   2.195
  185    HA   GLN  22           HA       GLN  25  20.789  15.183   2.970
  186   1HB   GLN  22          1HB       GLN  25  23.345  16.121   4.276
  187   2HB   GLN  22          2HB       GLN  25  22.691  14.518   4.173
  188   1HG   GLN  22          1HG       GLN  25  23.398  14.516   1.657
  189   2HG   GLN  22          2HG       GLN  25  24.323  15.971   2.048
  190   1HE2  GLN  22          1HE2      GLN  25  26.595  14.094   4.239
  191   2HE2  GLN  22          2HE2      GLN  25  25.756  15.643   4.185
  192    H    LEU  23           H        LEU  26  20.517  14.938   5.212
  193    HA   LEU  23           HA       LEU  26  20.874  17.445   6.629
  194   1HB   LEU  23          1HB       LEU  26  19.131  15.100   7.613
  195   2HB   LEU  23          2HB       LEU  26  19.201  16.722   8.274
  196    HG   LEU  23           HG       LEU  26  18.337  17.337   5.787
  197   1HD1  LEU  23          2HD1      LEU  26  17.215  14.553   6.428
  198   2HD1  LEU  23          3HD1      LEU  26  16.608  15.631   5.169
  199   3HD1  LEU  23          1HD1      LEU  26  18.253  14.963   5.051
  200   1HD2  LEU  23          2HD2      LEU  26  17.226  17.963   7.924
  201   2HD2  LEU  23          3HD2      LEU  26  16.062  17.432   6.704
  202   3HD2  LEU  23          1HD2      LEU  26  16.532  16.334   8.021
  203    H    SER  24           H        SER  27  22.148  17.462   8.429
  204    HA   SER  24           HA       SER  27  23.975  15.260   8.873
  205   1HB   SER  24          1HB       SER  27  24.779  16.797  10.679
  206   2HB   SER  24          2HB       SER  27  24.558  17.685   9.165
  207    HG   SER  24           HG       SER  27  23.290  18.916  10.406
  208    H    LYS  25           H        LYS  28  24.117  14.434  11.304
  209    HA   LYS  25           HA       LYS  28  21.705  13.254  12.139
  210   1HB   LYS  25          1HB       LYS  28  24.045  12.684  12.884
  211   2HB   LYS  25          2HB       LYS  28  23.995  14.088  13.964
  212   1HG   LYS  25          1HG       LYS  28  22.104  13.065  15.200
  213   2HG   LYS  25          2HG       LYS  28  22.008  11.763  14.003
  214   1HD   LYS  25          1HD       LYS  28  23.121  10.935  15.976
  215   2HD   LYS  25          2HD       LYS  28  24.260  10.970  14.622
  216   1HE   LYS  25          1HE       LYS  28  25.292  13.036  15.500
  217   2HE   LYS  25          2HE       LYS  28  24.087  13.104  16.804
  218   1HZ   LYS  25          1HZ       LYS  28  24.960  11.026  17.604
  219   2HZ   LYS  25          2HZ       LYS  28  26.072  10.980  16.387
  220   3HZ   LYS  25          3HZ       LYS  28  26.145  12.168  17.526
  221    H    GLU  26           H        GLU  29  23.084  16.416  13.009
  222    HA   GLU  26           HA       GLU  29  21.172  17.147  14.997
  223   1HB   GLU  26          1HB       GLU  29  22.854  18.889  13.134
  224   2HB   GLU  26          2HB       GLU  29  21.988  19.448  14.570
  225   1HG   GLU  26          1HG       GLU  29  23.349  17.954  16.001
  226   2HG   GLU  26          2HG       GLU  29  24.233  17.369  14.583
  227    H    GLU  27           H        GLU  30  21.342  17.956  11.463
  228    HA   GLU  27           HA       GLU  30  18.827  19.387  11.553
  229   1HB   GLU  27          1HB       GLU  30  20.596  18.406   9.343
  230   2HB   GLU  27          2HB       GLU  30  18.968  18.999   8.996
  231   1HG   GLU  27          1HG       GLU  30  20.596  20.802   8.751
  232   2HG   GLU  27          2HG       GLU  30  19.407  21.147  10.005
  233    H    LEU  28           H        LEU  31  19.608  15.964  10.866
  234    HA   LEU  28           HA       LEU  31  16.980  15.280  10.014
  235   1HB   LEU  28          1HB       LEU  31  17.759  13.214   9.750
  236   2HB   LEU  28          2HB       LEU  31  19.313  13.980  10.054
  237    HG   LEU  28           HG       LEU  31  19.092  13.245  12.477
  238   1HD1  LEU  28          2HD1      LEU  31  16.959  11.406  11.280
  239   2HD1  LEU  28          3HD1      LEU  31  17.703  11.243  12.885
  240   3HD1  LEU  28          1HD1      LEU  31  16.654  12.596  12.549
  241   1HD2  LEU  28          2HD2      LEU  31  20.478  12.178  10.607
  242   2HD2  LEU  28          3HD2      LEU  31  20.084  11.228  12.044
  243   3HD2  LEU  28          1HD2      LEU  31  19.187  10.966  10.527
  244    H    LYS  29           H        LYS  32  18.570  15.107  13.197
  245    HA   LYS  29           HA       LYS  32  16.445  14.139  14.743
  246   1HB   LYS  29          1HB       LYS  32  18.639  14.489  15.719
  247   2HB   LYS  29          2HB       LYS  32  18.615  16.204  15.331
  248   1HG   LYS  29          1HG       LYS  32  18.306  15.925  17.671
  249   2HG   LYS  29          2HG       LYS  32  16.842  16.636  16.967
  250   1HD   LYS  29          1HD       LYS  32  15.598  14.620  17.292
  251   2HD   LYS  29          2HD       LYS  32  17.053  13.618  17.265
  252   1HE   LYS  29          1HE       LYS  32  16.076  13.710  19.525
  253   2HE   LYS  29          2HE       LYS  32  17.730  14.334  19.470
  254   1HZ   LYS  29          1HZ       LYS  32  16.794  16.555  19.423
  255   2HZ   LYS  29          2HZ       LYS  32  15.269  15.940  19.580
  256   3HZ   LYS  29          3HZ       LYS  32  16.370  15.727  20.780
  257    H    GLN  30           H        GLN  33  17.149  17.556  13.859
  258    HA   GLN  30           HA       GLN  33  14.878  18.593  15.170
  259   1HB   GLN  30          1HB       GLN  33  16.512  19.603  12.816
  260   2HB   GLN  30          2HB       GLN  33  15.173  20.545  13.489
  261   1HG   GLN  30          1HG       GLN  33  16.223  20.810  15.592
  262   2HG   GLN  30          2HG       GLN  33  17.397  19.523  15.286
  263   1HE2  GLN  30          1HE2      GLN  33  19.632  21.444  13.303
  264   2HE2  GLN  30          2HE2      GLN  33  19.038  19.841  13.716
  265    H    LEU  31           H        LEU  34  15.359  17.708  11.689
  266    HA   LEU  31           HA       LEU  34  12.868  18.215  10.676
  267   1HB   LEU  31          1HB       LEU  34  14.943  17.498   9.471
  268   2HB   LEU  31          2HB       LEU  34  14.628  15.842   9.968
  269    HG   LEU  31           HG       LEU  34  14.076  16.238   7.670
  270   1HD1  LEU  31          1HD1      LEU  34  12.728  14.580   9.024
  271   2HD1  LEU  31          2HD1      LEU  34  11.421  15.791   9.043
  272   3HD1  LEU  31          3HD1      LEU  34  12.005  15.154   7.513
  273   1HD2  LEU  31          2HD2      LEU  34  13.510  18.624   7.794
  274   2HD2  LEU  31          3HD2      LEU  34  12.303  17.690   6.905
  275   3HD2  LEU  31          1HD2      LEU  34  11.959  18.225   8.562
  276    H    ILE  32           H        ILE  35  13.854  15.255  12.067
  277    HA   ILE  32           HA       ILE  35  11.498  13.722  11.844
  278    HB   ILE  32           HB       ILE  35  13.552  13.709  14.074
  279   1HG1  ILE  32          1HG1      ILE  35  14.278  12.974  11.762
  280   2HG1  ILE  32          2HG1      ILE  35  14.532  11.844  13.091
  281   1HG2  ILE  32          2HG2      ILE  35  11.189  11.829  13.682
  282   2HG2  ILE  32          3HG2      ILE  35  12.608  11.447  14.679
  283   3HG2  ILE  32          1HG2      ILE  35  11.564  12.795  15.114
  284   1HD1  ILE  32          2HD1      ILE  35  12.235  11.678  11.083
  285   2HD1  ILE  32          3HD1      ILE  35  13.737  10.738  11.030
  286   3HD1  ILE  32          1HD1      ILE  35  12.603  10.496  12.361
  287    H    GLN  33           H        GLN  36  12.469  15.535  14.557
  288    HA   GLN  33           HA       GLN  36  10.109  15.274  16.097
  289   1HB   GLN  33          1HB       GLN  36  12.170  17.496  16.078
  290   2HB   GLN  33          2HB       GLN  36  10.892  17.370  17.294
  291   1HG   GLN  33          1HG       GLN  36  11.701  15.263  18.117
  292   2HG   GLN  33          2HG       GLN  36  12.855  15.091  16.785
  293   1HE2  GLN  33          1HE2      GLN  36  15.073  17.685  18.000
  294   2HE2  GLN  33          2HE2      GLN  36  14.358  17.036  16.515
  295    H    ALA  34           H        ALA  37  11.081  17.831  13.762
  296    HA   ALA  34           HA       ALA  37   8.817  19.511  14.169
  297   1HB   ALA  34          1HB       ALA  37  10.909  20.290  13.175
  298   2HB   ALA  34          2HB       ALA  37  10.650  19.254  11.754
  299   3HB   ALA  34          3HB       ALA  37   9.540  20.599  12.087
  300    H    GLU  35           H        GLU  38   9.465  17.255  11.415
  301    HA   GLU  35           HA       GLU  38   6.728  17.660  10.436
  302   1HB   GLU  35          1HB       GLU  38   8.970  15.869   9.424
  303   2HB   GLU  35          2HB       GLU  38   7.397  16.117   8.659
  304   1HG   GLU  35          1HG       GLU  38   7.925  18.596   8.539
  305   2HG   GLU  35          2HG       GLU  38   9.586  18.187   8.999
  306    H    PHE  36           H        PHE  39   8.541  14.931  11.954
  307    HA   PHE  36           HA       PHE  39   5.966  13.398  12.005
  308   1HB   PHE  36          1HB       PHE  39   8.674  12.159  11.559
  309   2HB   PHE  36          2HB       PHE  39   7.075  11.458  11.302
  310    HD1  PHE  36           HD2      PHE  39   5.596  12.998   9.528
  311    HD2  PHE  36           HD1      PHE  39   9.900  12.691   9.648
  312    HE1  PHE  36           HE2      PHE  39   5.729  13.847   7.207
  313    HE2  PHE  36           HE1      PHE  39  10.019  13.521   7.319
  314    HZ   PHE  36           HZ       PHE  39   7.942  14.131   6.104
  315    HA   PRO  37           HA       PRO  40   7.888  13.463  16.226
  316   1HB   PRO  37          1HB       PRO  40   5.902  14.708  17.675
  317   2HB   PRO  37          2HB       PRO  40   7.155  15.587  16.778
  318   1HG   PRO  37          1HG       PRO  40   4.360  14.890  15.822
  319   2HG   PRO  37          2HG       PRO  40   5.160  16.492  15.786
  320   1HD   PRO  37          1HD       PRO  40   5.150  14.897  13.591
  321   2HD   PRO  37          2HD       PRO  40   6.626  15.811  14.045
  322    H    SER  38           H        SER  41   7.201  11.255  15.287
  323    HA   SER  38           HA       SER  41   5.354   9.824  17.031
  324   1HB   SER  38          1HB       SER  41   4.180   8.844  15.008
  325   2HB   SER  38          2HB       SER  41   3.810  10.550  15.366
  326    HG   SER  38           HG       SER  41   5.218  11.175  13.752
  327    H    LEU  39           H        LEU  42   7.852   9.919  14.490
  328    HA   LEU  39           HA       LEU  42   8.297   7.072  14.408
  329   1HB   LEU  39          1HB       LEU  42  10.107   9.330  13.498
  330   2HB   LEU  39          2HB       LEU  42  10.145   7.644  12.973
  331    HG   LEU  39           HG       LEU  42   7.928   9.649  12.407
  332   1HD1  LEU  39          1HD1      LEU  42  10.026   9.984  11.120
  333   2HD1  LEU  39          2HD1      LEU  42   9.933   8.302  10.553
  334   3HD1  LEU  39          3HD1      LEU  42   8.680   9.471  10.087
  335   1HD2  LEU  39          1HD2      LEU  42   8.170   6.739  11.527
  336   2HD2  LEU  39          2HD2      LEU  42   6.949   7.405  12.637
  337   3HD2  LEU  39          3HD2      LEU  42   6.964   7.913  10.953
  338    H    LEU  40           H        LEU  43   8.348   8.043  17.096
  339    HA   LEU  40           HA       LEU  43  11.170   7.549  17.966
  340   1HB   LEU  40          1HB       LEU  43   8.814   8.688  19.548
  341   2HB   LEU  40          2HB       LEU  43  10.490   8.514  20.069
  342    HG   LEU  40           HG       LEU  43  10.800  10.020  17.776
  343   1HD1  LEU  40          1HD1      LEU  43   8.358  10.283  17.488
  344   2HD1  LEU  40          2HD1      LEU  43   8.240  11.008  19.102
  345   3HD1  LEU  40          3HD1      LEU  43   9.151  11.829  17.819
  346   1HD2  LEU  40          2HD2      LEU  43  11.822  10.463  20.009
  347   2HD2  LEU  40          3HD2      LEU  43  11.137  11.937  19.302
  348   3HD2  LEU  40          1HD2      LEU  43  10.264  11.082  20.591
  349    H    LYS  41           H        LYS  44  10.175   5.346  16.963
  350    HA   LYS  41           HA       LYS  44   9.381   3.649  19.215
  351   1HB   LYS  41          1HB       LYS  44   7.397   2.796  17.988
  352   2HB   LYS  41          2HB       LYS  44   7.260   4.495  18.452
  353   1HG   LYS  41          1HG       LYS  44   7.928   5.168  16.127
  354   2HG   LYS  41          2HG       LYS  44   7.924   3.454  15.659
  355   1HD   LYS  41          1HD       LYS  44   5.525   3.318  16.288
  356   2HD   LYS  41          2HD       LYS  44   5.580   5.010  16.837
  357   1HE   LYS  41          1HE       LYS  44   6.199   5.738  14.534
  358   2HE   LYS  41          2HE       LYS  44   6.071   4.062  13.973
  359   1HZ   LYS  41          2HZ       LYS  44   3.896   5.628  15.176
  360   2HZ   LYS  41          3HZ       LYS  44   4.133   5.405  13.559
  361   3HZ   LYS  41          1HZ       LYS  44   3.766   4.113  14.529
  362    H    GLY  42           H        GLY  45   9.045   1.326  18.184
  363   1HA   GLY  42          1HA       GLY  45   9.886  -0.420  16.928
  364   2HA   GLY  42          2HA       GLY  45  10.738   0.733  15.877
  365    HA   PRO  43           HA       PRO  46  13.791  -1.482  18.701
  366   1HB   PRO  43          1HB       PRO  46  15.339  -1.329  16.109
  367   2HB   PRO  43          2HB       PRO  46  15.286  -2.666  17.292
  368   1HG   PRO  43          1HG       PRO  46  13.896  -2.847  14.967
  369   2HG   PRO  43          2HG       PRO  46  13.119  -3.348  16.502
  370   1HD   PRO  43          1HD       PRO  46  12.830  -0.695  15.052
  371   2HD   PRO  43          2HD       PRO  46  11.551  -1.758  15.713
  372    NH1  ARG  44           NH2      ARG  47  22.264   2.409  16.939
  373    NH2  ARG  44           NH1      ARG  47  23.063   3.998  18.406
  374    H    ARG  44           H        ARG  47  15.275  -0.182  19.859
  375    HA   ARG  44           HA       ARG  47  16.391   1.671  20.503
  376   1HB   ARG  44          1HB       ARG  47  17.803   0.682  18.670
  377   2HB   ARG  44          2HB       ARG  47  17.227   1.933  17.590
  378   1HG   ARG  44          1HG       ARG  47  18.258   3.660  19.065
  379   2HG   ARG  44          2HG       ARG  47  18.761   2.373  20.190
  380   1HD   ARG  44          1HD       ARG  47  20.023   1.266  18.335
  381   2HD   ARG  44          2HD       ARG  47  19.553   2.597  17.252
  382    HE   ARG  44           HE       ARG  47  20.851   3.657  19.563
  383   1HH1  ARG  44          1HH2      ARG  47  21.551   1.758  16.652
  384   2HH1  ARG  44          2HH2      ARG  47  23.048   2.605  16.321
  385   1HH2  ARG  44          1HH1      ARG  47  22.935   4.593  19.211
  386   2HH2  ARG  44          2HH1      ARG  47  23.901   4.080  17.847
  387    H    THR  45           H        THR  48  16.184   3.768  17.689
  388    HA   THR  45           HA       THR  48  13.520   4.414  17.991
  389    HB   THR  45           HB       THR  48  14.390   5.417  20.243
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  16.253   7.081  18.462
  391   2HG2  THR  45          3HG2      THR  48  15.972   7.306  20.191
  392   3HG2  THR  45          1HG2      THR  48  16.700   5.812  19.594
  393    H    LEU  46           H        LEU  49  13.899   7.414  17.480
  394    HA   LEU  46           HA       LEU  49  13.768   7.312  14.684
  395   1HB   LEU  46          1HB       LEU  49  14.374   9.664  14.605
  396   2HB   LEU  46          2HB       LEU  49  12.968   9.239  15.602
  397    HG   LEU  46           HG       LEU  49  15.228   9.136  17.223
  398   1HD1  LEU  46          1HD1      LEU  49  16.397  10.602  15.596
  399   2HD1  LEU  46          2HD1      LEU  49  15.092  11.802  15.754
  400   3HD1  LEU  46          3HD1      LEU  49  16.137  11.428  17.143
  401   1HD2  LEU  46          2HD2      LEU  49  13.035   9.620  18.056
  402   2HD2  LEU  46          3HD2      LEU  49  14.125  10.934  18.526
  403   3HD2  LEU  46          1HD2      LEU  49  12.987  11.175  17.181
  404    H    ASP  47           H        ASP  50  16.346   7.711  16.794
  405    HA   ASP  47           HA       ASP  50  18.629   8.062  15.460
  406   1HB   ASP  47          1HB       ASP  50  18.399   7.906  17.901
  407   2HB   ASP  47          2HB       ASP  50  18.317   6.134  17.769
  408    H    ASP  48           H        ASP  51  16.776   5.066  15.808
  409    HA   ASP  48           HA       ASP  51  18.551   3.135  14.742
  410   1HB   ASP  48          1HB       ASP  51  16.139   2.919  16.017
  411   2HB   ASP  48          2HB       ASP  51  15.487   3.032  14.443
  412    H    LEU  49           H        LEU  52  15.784   4.828  13.347
  413    HA   LEU  49           HA       LEU  52  16.003   3.991  10.663
  414   1HB   LEU  49          1HB       LEU  52  15.108   6.818  11.227
  415   2HB   LEU  49          2HB       LEU  52  14.471   5.639  10.084
  416    HG   LEU  49           HG       LEU  52  14.162   5.683  13.095
  417   1HD1  LEU  49          1HD1      LEU  52  12.837   7.389  11.960
  418   2HD1  LEU  49          2HD1      LEU  52  12.134   6.163  10.880
  419   3HD1  LEU  49          3HD1      LEU  52  11.791   6.117  12.623
  420   1HD2  LEU  49          2HD2      LEU  52  14.147   3.298  12.255
  421   2HD2  LEU  49          3HD2      LEU  52  12.537   3.793  12.789
  422   3HD2  LEU  49          1HD2      LEU  52  12.924   3.749  11.056
  423    H    PHE  50           H        PHE  53  17.150   6.885  12.283
  424    HA   PHE  50           HA       PHE  53  18.643   8.224  10.360
  425   1HB   PHE  50          1HB       PHE  53  18.714   9.289  12.432
  426   2HB   PHE  50          2HB       PHE  53  18.950   7.821  13.273
  427    HD1  PHE  50           HD2      PHE  53  21.095   9.303  10.539
  428    HD2  PHE  50           HD1      PHE  53  20.818   8.043  14.654
  429    HE1  PHE  50           HE2      PHE  53  23.534   9.401  10.744
  430    HE2  PHE  50           HE1      PHE  53  23.264   8.195  14.870
  431    HZ   PHE  50           HZ       PHE  53  24.650   8.802  12.895
  432    H    GLN  51           H        GLN  54  20.021   5.573  12.423
  433    HA   GLN  51           HA       GLN  54  22.382   5.512  10.813
  434   1HB   GLN  51          1HB       GLN  54  21.180   3.733  12.959
  435   2HB   GLN  51          2HB       GLN  54  22.550   3.104  12.029
  436   1HG   GLN  51          1HG       GLN  54  24.062   4.645  12.820
  437   2HG   GLN  51          2HG       GLN  54  22.846   5.902  13.045
  438   1HE2  GLN  51          1HE2      GLN  54  21.766   4.869  16.293
  439   2HE2  GLN  51          2HE2      GLN  54  21.167   5.485  14.768
  440    H    GLU  52           H        GLU  55  19.413   3.508  10.603
  441    HA   GLU  52           HA       GLU  55  20.402   1.754   8.583
  442   1HB   GLU  52          1HB       GLU  55  17.598   2.860   9.035
  443   2HB   GLU  52          2HB       GLU  55  17.989   1.561   7.902
  444   1HG   GLU  52          1HG       GLU  55  18.799   0.129   9.693
  445   2HG   GLU  52          2HG       GLU  55  18.587   1.406  10.893
  446    H    LEU  53           H        LEU  56  19.144   5.047   8.399
  447    HA   LEU  53           HA       LEU  56  19.088   5.264   5.505
  448   1HB   LEU  53          1HB       LEU  56  19.003   7.327   7.708
  449   2HB   LEU  53          2HB       LEU  56  18.734   7.631   5.992
  450    HG   LEU  53           HG       LEU  56  17.036   5.550   7.376
  451   1HD1  LEU  53          1HD1      LEU  56  16.948   7.631   8.786
  452   2HD1  LEU  53          2HD1      LEU  56  16.436   8.535   7.359
  453   3HD1  LEU  53          3HD1      LEU  56  15.420   7.222   8.002
  454   1HD2  LEU  53          2HD2      LEU  56  16.956   5.805   4.902
  455   2HD2  LEU  53          3HD2      LEU  56  15.420   6.187   5.698
  456   3HD2  LEU  53          1HD2      LEU  56  16.466   7.501   5.119
  457    H    ASP  54           H        ASP  57  21.352   6.413   8.028
  458    HA   ASP  54           HA       ASP  57  23.267   7.722   6.302
  459   1HB   ASP  54          1HB       ASP  57  22.928   8.013   8.771
  460   2HB   ASP  54          2HB       ASP  57  23.702   6.458   9.029
  461    H    LYS  55           H        LYS  58  23.450   5.978   4.546
  462    HA   LYS  55           HA       LYS  58  24.596   3.432   5.008
  463   1HB   LYS  55          1HB       LYS  58  24.970   5.319   2.653
  464   2HB   LYS  55          2HB       LYS  58  25.455   3.618   2.676
  465   1HG   LYS  55          1HG       LYS  58  23.198   2.838   2.877
  466   2HG   LYS  55          2HG       LYS  58  22.580   4.445   3.245
  467   1HD   LYS  55          1HD       LYS  58  22.012   3.879   0.966
  468   2HD   LYS  55          2HD       LYS  58  23.134   5.245   0.988
  469   1HE   LYS  55          1HE       LYS  58  25.012   3.744   0.398
  470   2HE   LYS  55          2HE       LYS  58  23.924   2.342   0.455
  471   1HZ   LYS  55          2HZ       LYS  58  23.695   4.626  -1.380
  472   2HZ   LYS  55          3HZ       LYS  58  24.277   3.134  -1.763
  473   3HZ   LYS  55          1HZ       LYS  58  22.695   3.318  -1.345
  474    H    ASN  56           H        ASN  59  26.105   6.603   5.188
  475    HA   ASN  56           HA       ASN  59  28.832   5.623   4.984
  476   1HB   ASN  56          1HB       ASN  59  27.797   7.995   4.460
  477   2HB   ASN  56          2HB       ASN  59  28.083   8.294   6.175
  478   1HD2  ASN  56          1HD2      ASN  59  31.764   7.900   5.612
  479   2HD2  ASN  56          2HD2      ASN  59  30.580   7.168   6.689
  480    H    GLY  57           H        GLY  60  26.477   5.636   7.532
  481   1HA   GLY  57          1HA       GLY  60  26.582   5.219   9.767
  482   2HA   GLY  57          2HA       GLY  60  28.068   4.330   9.406
  483    H    ASP  58           H        ASP  61  26.998   7.774   9.665
  484    HA   ASP  58           HA       ASP  61  29.165   8.340  11.608
  485   1HB   ASP  58          1HB       ASP  61  30.265   8.832   9.539
  486   2HB   ASP  58          2HB       ASP  61  28.855   9.657   8.876
  487    H    GLY  59           H        GLY  62  27.180  10.598   9.722
  488   1HA   GLY  59          1HA       GLY  62  25.061  10.892  11.662
  489   2HA   GLY  59          2HA       GLY  62  26.286  12.160  11.814
  490    H    GLU  60           H        GLU  63  24.913  10.371   9.017
  491    HA   GLU  60           HA       GLU  63  24.196  12.953   7.654
  492   1HB   GLU  60          1HB       GLU  63  25.381  10.414   6.419
  493   2HB   GLU  60          2HB       GLU  63  25.073  11.956   5.613
  494   1HG   GLU  60          1HG       GLU  63  26.727  13.078   7.197
  495   2HG   GLU  60          2HG       GLU  63  27.214  11.459   7.730
  496    H    VAL  61           H        VAL  64  22.287  12.891   6.451
  497    HA   VAL  61           HA       VAL  64  21.373  10.302   5.432
  498    HB   VAL  61           HB       VAL  64  19.446  12.055   7.020
  499   1HG1  VAL  61          2HG1      VAL  64  19.184   9.565   5.312
  500   2HG1  VAL  61          3HG1      VAL  64  17.950  10.024   6.503
  501   3HG1  VAL  61          1HG1      VAL  64  18.301  11.093   5.127
  502   1HG2  VAL  61          1HG2      VAL  64  20.539   9.257   7.582
  503   2HG2  VAL  61          2HG2      VAL  64  20.792  10.719   8.567
  504   3HG2  VAL  61          3HG2      VAL  64  19.181  10.008   8.434
  505    H    SER  62           H        SER  65  21.804  10.765   3.446
  506    HA   SER  62           HA       SER  65  21.541  13.345   2.228
  507   1HB   SER  62          1HB       SER  65  22.335  12.240   0.243
  508   2HB   SER  62          2HB       SER  65  23.227  11.608   1.647
  509    HG   SER  62           HG       SER  65  21.914   9.814   1.649
  510    H    PHE  63           H        PHE  66  20.263  13.657   0.134
  511    HA   PHE  63           HA       PHE  66  17.500  13.320   0.570
  512   1HB   PHE  63          1HB       PHE  66  18.434  14.976  -1.015
  513   2HB   PHE  63          2HB       PHE  66  18.925  13.683  -2.096
  514    HD1  PHE  63           HD2      PHE  66  15.909  15.101  -0.350
  515    HD2  PHE  63           HD1      PHE  66  17.351  12.759  -3.674
  516    HE1  PHE  63           HE2      PHE  66  13.594  14.863  -1.191
  517    HE2  PHE  63           HE1      PHE  66  15.031  12.508  -4.497
  518    HZ   PHE  63           HZ       PHE  66  13.149  13.568  -3.268
  519    H    GLU  64           H        GLU  67  19.636  11.381  -1.571
  520    HA   GLU  64           HA       GLU  67  17.681   9.659  -2.530
  521   1HB   GLU  64          1HB       GLU  67  19.501   8.018  -2.933
  522   2HB   GLU  64          2HB       GLU  67  19.785   9.636  -3.579
  523   1HG   GLU  64          1HG       GLU  67  21.335  10.147  -1.726
  524   2HG   GLU  64          2HG       GLU  67  21.005   8.567  -0.999
  525    H    GLU  65           H        GLU  68  19.537   9.377   0.492
  526    HA   GLU  65           HA       GLU  68  18.391   6.862   1.327
  527   1HB   GLU  65          1HB       GLU  68  19.768   9.106   2.845
  528   2HB   GLU  65          2HB       GLU  68  19.351   7.543   3.556
  529   1HG   GLU  65          1HG       GLU  68  20.843   6.328   2.178
  530   2HG   GLU  65          2HG       GLU  68  21.087   7.668   1.062
  531    H    PHE  66           H        PHE  69  17.692  10.276   2.097
  532    HA   PHE  66           HA       PHE  69  15.705  10.064   3.997
  533   1HB   PHE  66          1HB       PHE  69  16.792  12.133   3.224
  534   2HB   PHE  66          2HB       PHE  69  15.868  12.073   1.728
  535    HD1  PHE  66           HD2      PHE  69  15.627  12.580   5.401
  536    HD2  PHE  66           HD1      PHE  69  13.601  12.861   1.600
  537    HE1  PHE  66           HE2      PHE  69  13.914  14.049   6.417
  538    HE2  PHE  66           HE1      PHE  69  11.886  14.329   2.628
  539    HZ   PHE  66           HZ       PHE  69  12.041  14.937   5.032
  540    H    GLN  67           H        GLN  70  15.342   9.618   0.477
  541    HA   GLN  67           HA       GLN  70  12.546   9.598   0.232
  542   1HB   GLN  67          1HB       GLN  70  14.544   7.667  -1.000
  543   2HB   GLN  67          2HB       GLN  70  12.883   7.890  -1.557
  544   1HG   GLN  67          1HG       GLN  70  13.299  10.208  -2.170
  545   2HG   GLN  67          2HG       GLN  70  14.941  10.142  -1.534
  546   1HE2  GLN  67          1HE2      GLN  70  16.058   7.849  -4.190
  547   2HE2  GLN  67          2HE2      GLN  70  16.101   7.906  -2.427
  548    H    VAL  68           H        VAL  71  14.696   7.034   1.550
  549    HA   VAL  68           HA       VAL  71  12.620   5.082   1.873
  550    HB   VAL  68           HB       VAL  71  15.273   5.356   3.338
  551   1HG1  VAL  68          2HG1      VAL  71  13.390   2.982   3.027
  552   2HG1  VAL  68          3HG1      VAL  71  15.023   2.917   3.721
  553   3HG1  VAL  68          1HG1      VAL  71  13.761   3.843   4.538
  554   1HG2  VAL  68          1HG2      VAL  71  14.520   3.794   0.829
  555   2HG2  VAL  68          2HG2      VAL  71  15.613   5.194   0.896
  556   3HG2  VAL  68          3HG2      VAL  71  16.071   3.683   1.686
  557    H    LEU  69           H        LEU  72  14.031   7.579   4.068
  558    HA   LEU  69           HA       LEU  72  12.525   6.933   6.363
  559   1HB   LEU  69          1HB       LEU  72  14.348   8.573   6.408
  560   2HB   LEU  69          2HB       LEU  72  13.425   9.679   5.399
  561    HG   LEU  69           HG       LEU  72  11.721   9.952   7.129
  562   1HD1  LEU  69          2HD1      LEU  72  13.481   8.151   8.851
  563   2HD1  LEU  69          3HD1      LEU  72  12.139   9.145   9.439
  564   3HD1  LEU  69          1HD1      LEU  72  11.815   7.812   8.330
  565   1HD2  LEU  69          2HD2      LEU  72  13.692  11.441   7.015
  566   2HD2  LEU  69          3HD2      LEU  72  13.082  11.274   8.665
  567   3HD2  LEU  69          1HD2      LEU  72  14.548  10.398   8.169
  568    H    VAL  70           H        VAL  73  11.748   9.113   3.631
  569    HA   VAL  70           HA       VAL  73   9.190   9.903   4.511
  570    HB   VAL  70           HB       VAL  73  10.299   9.587   1.693
  571   1HG1  VAL  70          2HG1      VAL  73   7.733  10.961   2.588
  572   2HG1  VAL  70          3HG1      VAL  73   8.475  11.098   0.979
  573   3HG1  VAL  70          1HG1      VAL  73   7.849   9.542   1.524
  574   1HG2  VAL  70          2HG2      VAL  73  11.440  11.257   3.159
  575   2HG2  VAL  70          3HG2      VAL  73  10.565  12.025   1.828
  576   3HG2  VAL  70          1HG2      VAL  73   9.880  12.035   3.467
  577    H    LYS  71           H        LYS  74  10.092   7.114   2.373
  578    HA   LYS  71           HA       LYS  74   7.454   6.104   2.119
  579   1HB   LYS  71          1HB       LYS  74  10.140   4.679   2.137
  580   2HB   LYS  71          2HB       LYS  74   8.626   3.865   1.745
  581   1HG   LYS  71          1HG       LYS  74   9.535   6.352   0.239
  582   2HG   LYS  71          2HG       LYS  74  10.069   4.723  -0.197
  583   1HD   LYS  71          1HD       LYS  74   7.741   3.999  -0.553
  584   2HD   LYS  71          2HD       LYS  74   7.136   5.570  -0.016
  585   1HE   LYS  71          1HE       LYS  74   7.086   5.475  -2.435
  586   2HE   LYS  71          2HE       LYS  74   8.261   6.692  -1.911
  587   1HZ   LYS  71          2HZ       LYS  74   8.903   3.952  -2.766
  588   2HZ   LYS  71          3HZ       LYS  74   9.080   5.309  -3.684
  589   3HZ   LYS  71          1HZ       LYS  74   9.995   5.108  -2.330
  590    H    LYS  72           H        LYS  75   9.843   5.591   4.724
  591    HA   LYS  72           HA       LYS  75   7.994   3.837   6.185
  592   1HB   LYS  72          1HB       LYS  75  10.720   4.901   6.987
  593   2HB   LYS  72          2HB       LYS  75   9.807   3.609   7.775
  594   1HG   LYS  72          1HG       LYS  75  11.123   3.506   5.044
  595   2HG   LYS  72          2HG       LYS  75  11.494   2.572   6.493
  596   1HD   LYS  72          1HD       LYS  75   9.154   1.563   6.302
  597   2HD   LYS  72          2HD       LYS  75   9.012   2.407   4.737
  598   1HE   LYS  72          1HE       LYS  75  11.010   1.205   3.896
  599   2HE   LYS  72          2HE       LYS  75  11.169   0.363   5.450
  600   1HZ   LYS  72          1HZ       LYS  75   9.027  -0.615   5.073
  601   2HZ   LYS  72          2HZ       LYS  75   8.877   0.162   3.628
  602   3HZ   LYS  72          3HZ       LYS  75  10.055  -0.971   3.836
  603    H    ILE  73           H        ILE  76   7.269   6.894   5.825
  604    HA   ILE  73           HA       ILE  76   7.309   7.840   8.571
  605    HB   ILE  73           HB       ILE  76   5.493   8.665   6.286
  606   1HG1  ILE  73          1HG1      ILE  76   7.811  10.280   7.448
  607   2HG1  ILE  73          2HG1      ILE  76   8.066   9.110   6.193
  608   1HG2  ILE  73          2HG2      ILE  76   5.990   9.931   9.033
  609   2HG2  ILE  73          3HG2      ILE  76   5.056  10.691   7.736
  610   3HG2  ILE  73          1HG2      ILE  76   4.458   9.230   8.489
  611   1HD1  ILE  73          2HD1      ILE  76   6.098  11.445   5.983
  612   2HD1  ILE  73          3HD1      ILE  76   7.715  11.407   5.288
  613   3HD1  ILE  73          1HD1      ILE  76   6.471  10.281   4.707
  614    H    SER  74           H        SER  77   6.736   5.916   9.622
  615    HA   SER  74           HA       SER  77   4.131   4.667   9.236
  616   1HB   SER  74          1HB       SER  77   6.247   4.211  11.404
  617   2HB   SER  74          2HB       SER  77   4.965   3.084  10.916
  618    HG   SER  74           HG       SER  77   7.107   4.013   9.248
  619    H    GLN  75           H        GLN  78   2.323   5.237  10.172
  620    HA   GLN  75           HA       GLN  78   2.361   7.147  12.460
  621   1HB   GLN  75          1HB       GLN  78   0.132   6.660  10.460
  622   2HB   GLN  75          2HB       GLN  78   0.363   8.034  11.558
  623   1HG   GLN  75          1HG       GLN  78   2.518   8.547  10.258
  624   2HG   GLN  75          2HG       GLN  78   2.051   7.290   9.105
  625   1HE2  GLN  75          1HE2      GLN  78   0.022  10.877   9.151
  626   2HE2  GLN  75          2HE2      GLN  78   1.025  10.435  10.521
   
  No H/Q in entry =         627
  Start of MODEL          12
 Raw file had 628 H/Q atoms
  Start of MODEL   12
    1   1H    SER  -2           2H       SER   1   2.198  11.290   1.777
    2   2H    SER  -2           3H       SER   1   2.324  10.528   0.303
    3   3H    SER  -2           1H       SER   1   2.373  12.181   0.427
    4    HA   SER  -2           HA       SER   1   0.230  11.793  -0.286
    5   1HB   SER  -2          1HB       SER   1  -0.091   9.870   2.070
    6   2HB   SER  -2          2HB       SER   1  -1.260  10.205   0.776
    7    HG   SER  -2           HG       SER   1  -0.242   8.453   0.000
    8    H    ALA  -1           H        ALA   2  -1.767  12.772   0.915
    9    HA   ALA  -1           HA       ALA   2  -2.605  14.456   2.182
   10   1HB   ALA  -1          1HB       ALA   2  -2.466  12.757   3.960
   11   2HB   ALA  -1          2HB       ALA   2  -0.835  13.312   4.389
   12   3HB   ALA  -1          3HB       ALA   2  -2.218  14.398   4.587
   13    H    GLN   0           H        GLN   3  -1.379  15.740   0.604
   14    HA   GLN   0           HA       GLN   3  -0.294  17.610   0.057
   15   1HB   GLN   0          1HB       GLN   3   0.582  17.986   2.946
   16   2HB   GLN   0          2HB       GLN   3   0.694  19.141   1.625
   17   1HG   GLN   0          1HG       GLN   3  -1.783  19.166   1.412
   18   2HG   GLN   0          2HG       GLN   3  -1.908  17.999   2.738
   19   1HE2  GLN   0          1HE2      GLN   3  -0.663  21.838   3.655
   20   2HE2  GLN   0          2HE2      GLN   3  -0.255  21.169   2.084
   21    H    LYS   1           H        LYS   4   1.611  16.039   2.406
   22    HA   LYS   1           HA       LYS   4   4.185  16.423   1.350
   23   1HB   LYS   1          1HB       LYS   4   3.318  13.847   2.695
   24   2HB   LYS   1          2HB       LYS   4   4.945  14.515   2.537
   25   1HG   LYS   1          1HG       LYS   4   2.644  15.639   4.200
   26   2HG   LYS   1          2HG       LYS   4   4.094  14.835   4.800
   27   1HD   LYS   1          1HD       LYS   4   5.486  16.691   3.757
   28   2HD   LYS   1          2HD       LYS   4   3.974  17.548   3.409
   29   1HE   LYS   1          1HE       LYS   4   4.958  16.713   6.176
   30   2HE   LYS   1          2HE       LYS   4   5.008  18.347   5.496
   31   1HZ   LYS   1          1HZ       LYS   4   2.619  18.306   5.368
   32   2HZ   LYS   1          2HZ       LYS   4   2.574  16.798   6.032
   33   3HZ   LYS   1          3HZ       LYS   4   3.135  18.069   6.915
   34    H    SER   2           H        SER   5   5.022  15.930  -0.505
   35    HA   SER   2           HA       SER   5   4.484  13.460  -1.986
   36   1HB   SER   2          1HB       SER   5   4.076  16.254  -3.187
   37   2HB   SER   2          2HB       SER   5   3.879  14.708  -4.032
   38    HG   SER   2           HG       SER   5   2.307  15.767  -1.916
   39    HA   PRO   3           HA       PRO   6   8.807  13.660  -2.688
   40   1HB   PRO   3          1HB       PRO   6   8.215  13.910  -5.658
   41   2HB   PRO   3          2HB       PRO   6   9.516  12.980  -4.857
   42   1HG   PRO   3          1HG       PRO   6   7.226  11.720  -5.543
   43   2HG   PRO   3          2HG       PRO   6   7.918  11.445  -3.918
   44   1HD   PRO   3          1HD       PRO   6   5.606  13.219  -4.688
   45   2HD   PRO   3          2HD       PRO   6   5.795  12.150  -3.267
   46    H    ALA   4           H        ALA   7   7.542  15.996  -5.161
   47    HA   ALA   4           HA       ALA   7   9.721  17.730  -5.027
   48   1HB   ALA   4          1HB       ALA   7   8.036  17.788  -6.825
   49   2HB   ALA   4          2HB       ALA   7   6.828  18.410  -5.678
   50   3HB   ALA   4          3HB       ALA   7   8.247  19.392  -6.099
   51    H    GLU   5           H        GLU   8   6.811  17.875  -3.279
   52    HA   GLU   5           HA       GLU   8   7.271  20.319  -1.842
   53   1HB   GLU   5          1HB       GLU   8   5.037  19.228  -2.092
   54   2HB   GLU   5          2HB       GLU   8   5.541  17.965  -0.956
   55   1HG   GLU   5          1HG       GLU   8   5.874  19.705   0.798
   56   2HG   GLU   5          2HG       GLU   8   5.368  20.951  -0.353
   57    H    LEU   6           H        LEU   9   7.766  16.896  -0.938
   58    HA   LEU   6           HA       LEU   9   8.937  17.393   1.577
   59   1HB   LEU   6          1HB       LEU   9   9.080  15.065  -0.353
   60   2HB   LEU   6          2HB       LEU   9   9.945  15.023   1.182
   61    HG   LEU   6           HG       LEU   9   6.954  15.595   1.080
   62   1HD1  LEU   6          2HD1      LEU   9   8.393  12.938   1.304
   63   2HD1  LEU   6          3HD1      LEU   9   6.653  13.166   1.584
   64   3HD1  LEU   6          1HD1      LEU   9   7.336  13.437  -0.030
   65   1HD2  LEU   6          1HD2      LEU   9   8.852  14.549   3.248
   66   2HD2  LEU   6          2HD2      LEU   9   8.089  16.149   3.221
   67   3HD2  LEU   6          3HD2      LEU   9   7.101  14.702   3.430
   68    H    LYS   7           H        LYS  10  10.325  17.110  -1.526
   69    HA   LYS   7           HA       LYS  10  13.084  17.323  -0.755
   70   1HB   LYS   7          1HB       LYS  10  12.057  16.750  -3.081
   71   2HB   LYS   7          2HB       LYS  10  12.079  18.489  -3.369
   72   1HG   LYS   7          1HG       LYS  10  14.449  16.695  -2.655
   73   2HG   LYS   7          2HG       LYS  10  14.043  17.294  -4.266
   74   1HD   LYS   7          1HD       LYS  10  14.352  19.660  -3.405
   75   2HD   LYS   7          2HD       LYS  10  14.980  18.973  -1.895
   76   1HE   LYS   7          1HE       LYS  10  16.175  18.476  -4.647
   77   2HE   LYS   7          2HE       LYS  10  16.784  19.620  -3.440
   78   1HZ   LYS   7          1HZ       LYS  10  17.129  17.798  -1.948
   79   2HZ   LYS   7          2HZ       LYS  10  16.582  16.716  -3.066
   80   3HZ   LYS   7          3HZ       LYS  10  17.962  17.571  -3.351
   81    H    SER   8           H        SER  11  10.722  19.815  -1.817
   82    HA   SER   8           HA       SER  11  12.324  22.081  -1.422
   83   1HB   SER   8          1HB       SER  11   9.314  21.905  -0.959
   84   2HB   SER   8          2HB       SER  11  10.265  23.356  -1.310
   85    HG   SER   8           HG       SER  11   9.927  21.099  -3.024
   86    H    ILE   9           H        ILE  12  10.216  20.413   0.994
   87    HA   ILE   9           HA       ILE  12  10.832  22.267   3.115
   88    HB   ILE   9           HB       ILE  12   9.814  19.403   3.155
   89   1HG1  ILE   9          1HG1      ILE  12   8.303  22.004   3.676
   90   2HG1  ILE   9          2HG1      ILE  12   8.401  21.292   2.070
   91   1HG2  ILE   9          2HG2      ILE  12   9.987  21.462   5.409
   92   2HG2  ILE   9          3HG2      ILE  12   9.107  19.923   5.508
   93   3HG2  ILE   9          1HG2      ILE  12  10.850  19.916   5.314
   94   1HD1  ILE   9          1HD1      ILE  12   7.377  19.192   2.914
   95   2HD1  ILE   9          2HD1      ILE  12   7.146  19.962   4.501
   96   3HD1  ILE   9          3HD1      ILE  12   6.330  20.615   3.078
   97    H    PHE  10           H        PHE  13  12.059  18.999   2.406
   98    HA   PHE  10           HA       PHE  13  14.007  18.577   4.290
   99   1HB   PHE  10          1HB       PHE  13  13.322  16.934   2.696
  100   2HB   PHE  10          2HB       PHE  13  13.898  17.898   1.348
  101    HD1  PHE  10           HD1      PHE  13  16.327  18.200   0.891
  102    HD2  PHE  10           HD2      PHE  13  14.791  15.370   3.768
  103    HE1  PHE  10           HE1      PHE  13  18.401  16.888   0.717
  104    HE2  PHE  10           HE2      PHE  13  16.903  14.087   3.610
  105    HZ   PHE  10           HZ       PHE  13  18.656  14.767   2.010
  106    H    GLU  11           H        GLU  14  14.392  20.362   1.207
  107    HA   GLU  11           HA       GLU  14  17.133  20.855   1.374
  108   1HB   GLU  11          1HB       GLU  14  16.939  22.012  -0.495
  109   2HB   GLU  11          2HB       GLU  14  15.323  21.313  -0.525
  110   1HG   GLU  11          1HG       GLU  14  14.618  23.482   0.747
  111   2HG   GLU  11          2HG       GLU  14  16.203  24.100   0.268
  112    H    LYS  12           H        LYS  15  14.506  22.534   3.099
  113    HA   LYS  12           HA       LYS  15  16.049  24.853   3.762
  114   1HB   LYS  12          1HB       LYS  15  13.777  23.639   5.374
  115   2HB   LYS  12          2HB       LYS  15  14.361  25.304   5.425
  116   1HG   LYS  12          1HG       LYS  15  12.937  23.943   3.098
  117   2HG   LYS  12          2HG       LYS  15  12.287  25.166   4.184
  118   1HD   LYS  12          1HD       LYS  15  13.922  26.831   3.300
  119   2HD   LYS  12          2HD       LYS  15  14.618  25.588   2.244
  120   1HE   LYS  12          1HE       LYS  15  13.126  26.966   0.944
  121   2HE   LYS  12          2HE       LYS  15  12.492  25.320   1.050
  122   1HZ   LYS  12          2HZ       LYS  15  11.603  27.600   2.680
  123   2HZ   LYS  12          3HZ       LYS  15  10.806  26.974   1.380
  124   3HZ   LYS  12          1HZ       LYS  15  10.988  26.070   2.744
  125    OH   TYR  13           OH       TYR  16  11.274  19.508   8.799
  126    H    TYR  13           H        TYR  16  15.691  21.687   5.405
  127    HA   TYR  13           HA       TYR  16  17.410  22.597   7.601
  128   1HB   TYR  13          1HB       TYR  16  16.916  19.719   7.031
  129   2HB   TYR  13          2HB       TYR  16  17.269  20.503   8.559
  130    HD1  TYR  13           HD1      TYR  16  14.770  19.893   5.938
  131    HD2  TYR  13           HD2      TYR  16  15.453  20.621  10.095
  132    HE1  TYR  13           HE1      TYR  16  12.538  19.102   6.474
  133    HE2  TYR  13           HE2      TYR  16  13.041  20.365  10.545
  134    HH   TYR  13           HH       TYR  16  10.836  19.044   8.073
  135    H    ALA  14           H        ALA  17  17.735  20.425   4.718
  136    HA   ALA  14           HA       ALA  17  20.419  19.691   5.132
  137   1HB   ALA  14          2HB       ALA  17  18.895  20.062   2.522
  138   2HB   ALA  14          3HB       ALA  17  20.476  19.279   2.653
  139   3HB   ALA  14          1HB       ALA  17  19.091  18.552   3.455
  140    H    ALA  15           H        ALA  18  19.159  22.612   3.506
  141    HA   ALA  15           HA       ALA  18  21.611  23.676   2.624
  142   1HB   ALA  15          2HB       ALA  18  19.066  25.114   3.465
  143   2HB   ALA  15          3HB       ALA  18  20.399  25.829   2.536
  144   3HB   ALA  15          1HB       ALA  18  19.457  24.503   1.837
  145    H    LYS  16           H        LYS  19  20.614  23.316   5.954
  146    HA   LYS  16           HA       LYS  19  21.968  25.621   7.005
  147   1HB   LYS  16          1HB       LYS  19  21.451  22.869   8.209
  148   2HB   LYS  16          2HB       LYS  19  22.095  24.253   9.097
  149   1HG   LYS  16          1HG       LYS  19  20.119  25.578   8.680
  150   2HG   LYS  16          2HG       LYS  19  19.419  24.337   7.631
  151   1HD   LYS  16          1HD       LYS  19  19.294  22.749   9.492
  152   2HD   LYS  16          2HD       LYS  19  20.043  23.915  10.593
  153   1HE   LYS  16          1HE       LYS  19  17.392  24.366   9.124
  154   2HE   LYS  16          2HE       LYS  19  17.534  23.782  10.788
  155   1HZ   LYS  16          1HZ       LYS  19  18.655  25.816  11.344
  156   2HZ   LYS  16          2HZ       LYS  19  18.496  26.369   9.799
  157   3HZ   LYS  16          3HZ       LYS  19  17.157  26.112  10.722
  158    H    GLU  17           H        GLU  20  23.043  22.541   5.670
  159    HA   GLU  17           HA       GLU  20  25.872  23.084   6.439
  160   1HB   GLU  17          1HB       GLU  20  24.715  20.640   5.055
  161   2HB   GLU  17          2HB       GLU  20  26.284  20.806   5.862
  162   1HG   GLU  17          1HG       GLU  20  23.519  20.696   7.122
  163   2HG   GLU  17          2HG       GLU  20  24.831  19.517   7.270
  164    H    GLY  18           H        GLY  21  27.452  22.916   4.623
  165   1HA   GLY  18          1HA       GLY  21  26.528  24.237   2.177
  166   2HA   GLY  18          2HA       GLY  21  28.175  23.719   2.572
  167    H    ASP  19           H        ASP  22  25.013  22.088   2.208
  168    HA   ASP  19           HA       ASP  22  25.707  20.461  -0.072
  169   1HB   ASP  19          1HB       ASP  22  27.103  19.338   1.633
  170   2HB   ASP  19          2HB       ASP  22  25.695  19.161   2.688
  171    HA   PRO  20           HA       PRO  23  21.279  21.231   1.237
  172   1HB   PRO  20          1HB       PRO  23  20.305  22.468  -0.983
  173   2HB   PRO  20          2HB       PRO  23  21.351  23.291   0.197
  174   1HG   PRO  20          1HG       PRO  23  22.228  21.952  -2.377
  175   2HG   PRO  20          2HG       PRO  23  22.557  23.635  -1.862
  176   1HD   PRO  20          1HD       PRO  23  24.350  21.644  -1.435
  177   2HD   PRO  20          2HD       PRO  23  24.093  22.910  -0.197
  178    H    ASN  21           H        ASN  24  22.364  18.669   0.368
  179    HA   ASN  21           HA       ASN  24  19.899  17.616  -0.841
  180   1HB   ASN  21          1HB       ASN  24  20.865  16.346  -2.531
  181   2HB   ASN  21          2HB       ASN  24  21.462  17.989  -2.736
  182   1HD2  ASN  21          1HD2      ASN  24  24.079  14.988  -1.573
  183   2HD2  ASN  21          2HD2      ASN  24  22.361  14.860  -1.165
  184    H    GLN  22           H        GLN  25  21.672  17.613   1.833
  185    HA   GLN  22           HA       GLN  25  20.776  14.932   2.479
  186   1HB   GLN  22          1HB       GLN  25  23.472  15.906   3.498
  187   2HB   GLN  22          2HB       GLN  25  22.823  14.304   3.598
  188   1HG   GLN  22          1HG       GLN  25  23.093  14.172   0.986
  189   2HG   GLN  22          2HG       GLN  25  24.126  15.579   1.158
  190   1HE2  GLN  22          1HE2      GLN  25  26.832  13.634   2.521
  191   2HE2  GLN  22          2HE2      GLN  25  26.254  15.245   2.083
  192    H    LEU  23           H        LEU  26  20.932  14.396   4.728
  193    HA   LEU  23           HA       LEU  26  21.108  16.819   6.309
  194   1HB   LEU  23          1HB       LEU  26  19.194  14.430   6.695
  195   2HB   LEU  23          2HB       LEU  26  19.225  15.828   7.784
  196    HG   LEU  23           HG       LEU  26  18.377  16.095   4.872
  197   1HD1  LEU  23          2HD1      LEU  26  16.714  15.509   7.358
  198   2HD1  LEU  23          3HD1      LEU  26  16.088  15.944   5.757
  199   3HD1  LEU  23          1HD1      LEU  26  16.940  14.403   5.987
  200   1HD2  LEU  23          2HD2      LEU  26  19.027  18.125   6.250
  201   2HD2  LEU  23          3HD2      LEU  26  17.347  18.079   5.659
  202   3HD2  LEU  23          1HD2      LEU  26  17.706  17.660   7.362
  203    H    SER  24           H        SER  27  22.353  16.757   8.076
  204    HA   SER  24           HA       SER  27  23.555  14.163   8.810
  205   1HB   SER  24          1HB       SER  27  24.996  16.238   8.418
  206   2HB   SER  24          2HB       SER  27  24.314  16.890   9.925
  207    HG   SER  24           HG       SER  27  25.876  14.575   9.509
  208    H    LYS  25           H        LYS  28  24.068  14.514  11.411
  209    HA   LYS  25           HA       LYS  28  21.802  13.464  12.631
  210   1HB   LYS  25          1HB       LYS  28  24.076  14.888  14.061
  211   2HB   LYS  25          2HB       LYS  28  22.905  13.763  14.766
  212   1HG   LYS  25          1HG       LYS  28  23.743  12.004  13.096
  213   2HG   LYS  25          2HG       LYS  28  24.992  13.155  12.627
  214   1HD   LYS  25          1HD       LYS  28  26.000  11.667  14.171
  215   2HD   LYS  25          2HD       LYS  28  25.834  13.236  14.957
  216   1HE   LYS  25          1HE       LYS  28  25.305  11.401  16.498
  217   2HE   LYS  25          2HE       LYS  28  23.869  12.391  16.241
  218   1HZ   LYS  25          2HZ       LYS  28  24.459   9.833  14.911
  219   2HZ   LYS  25          3HZ       LYS  28  23.395  10.053  16.147
  220   3HZ   LYS  25          1HZ       LYS  28  23.099  10.734  14.686
  221    H    GLU  26           H        GLU  29  22.934  16.848  13.117
  222    HA   GLU  26           HA       GLU  29  20.818  17.583  14.843
  223   1HB   GLU  26          1HB       GLU  29  22.244  19.532  12.981
  224   2HB   GLU  26          2HB       GLU  29  21.469  19.830  14.530
  225   1HG   GLU  26          1HG       GLU  29  23.629  19.782  15.238
  226   2HG   GLU  26          2HG       GLU  29  23.302  18.055  15.400
  227    H    GLU  27           H        GLU  30  21.175  18.183  11.348
  228    HA   GLU  27           HA       GLU  30  18.690  19.448  10.931
  229   1HB   GLU  27          1HB       GLU  30  20.104  17.694   8.884
  230   2HB   GLU  27          2HB       GLU  30  18.995  19.039   8.614
  231   1HG   GLU  27          1HG       GLU  30  20.968  20.113   8.215
  232   2HG   GLU  27          2HG       GLU  30  20.821  20.452   9.942
  233    H    LEU  28           H        LEU  31  19.557  15.951  10.723
  234    HA   LEU  28           HA       LEU  31  16.972  15.069   9.971
  235   1HB   LEU  28          1HB       LEU  31  19.215  13.743  11.562
  236   2HB   LEU  28          2HB       LEU  31  17.704  12.903  11.186
  237    HG   LEU  28           HG       LEU  31  19.389  14.069   9.000
  238   1HD1  LEU  28          1HD1      LEU  31  20.748  12.491  10.404
  239   2HD1  LEU  28          2HD1      LEU  31  19.562  11.223  10.024
  240   3HD1  LEU  28          3HD1      LEU  31  20.509  11.995   8.732
  241   1HD2  LEU  28          2HD2      LEU  31  16.981  13.399   8.518
  242   2HD2  LEU  28          3HD2      LEU  31  18.136  12.402   7.643
  243   3HD2  LEU  28          1HD2      LEU  31  17.359  11.771   9.100
  244    H    LYS  29           H        LYS  32  18.486  15.256  13.259
  245    HA   LYS  29           HA       LYS  32  16.344  14.398  14.800
  246   1HB   LYS  29          1HB       LYS  32  18.481  14.909  15.821
  247   2HB   LYS  29          2HB       LYS  32  18.421  16.572  15.269
  248   1HG   LYS  29          1HG       LYS  32  17.995  16.638  17.586
  249   2HG   LYS  29          2HG       LYS  32  16.504  17.067  16.766
  250   1HD   LYS  29          1HD       LYS  32  15.920  15.621  18.566
  251   2HD   LYS  29          2HD       LYS  32  15.736  14.636  17.108
  252   1HE   LYS  29          1HE       LYS  32  17.914  13.545  17.553
  253   2HE   LYS  29          2HE       LYS  32  18.214  14.645  18.910
  254   1HZ   LYS  29          2HZ       LYS  32  16.034  12.694  18.759
  255   2HZ   LYS  29          3HZ       LYS  32  17.419  12.536  19.637
  256   3HZ   LYS  29          1HZ       LYS  32  16.332  13.713  20.020
  257    H    GLN  30           H        GLN  33  17.004  17.759  13.751
  258    HA   GLN  30           HA       GLN  33  14.705  18.950  14.814
  259   1HB   GLN  30          1HB       GLN  33  16.300  19.565  12.294
  260   2HB   GLN  30          2HB       GLN  33  15.043  20.647  12.910
  261   1HG   GLN  30          1HG       GLN  33  16.239  21.116  14.904
  262   2HG   GLN  30          2HG       GLN  33  17.352  19.763  14.683
  263   1HE2  GLN  30          1HE2      GLN  33  19.415  22.595  13.739
  264   2HE2  GLN  30          2HE2      GLN  33  18.803  21.799  15.178
  265    H    LEU  31           H        LEU  34  15.202  17.666  11.475
  266    HA   LEU  31           HA       LEU  34  12.616  17.934  10.549
  267   1HB   LEU  31          1HB       LEU  34  14.670  17.216   9.268
  268   2HB   LEU  31          2HB       LEU  34  14.421  15.580   9.862
  269    HG   LEU  31           HG       LEU  34  12.185  17.047   8.420
  270   1HD1  LEU  31          1HD1      LEU  34  14.271  17.153   7.012
  271   2HD1  LEU  31          2HD1      LEU  34  14.333  15.381   7.095
  272   3HD1  LEU  31          3HD1      LEU  34  12.971  16.191   6.294
  273   1HD2  LEU  31          1HD2      LEU  34  12.916  14.090   8.662
  274   2HD2  LEU  31          2HD2      LEU  34  11.519  14.874   9.414
  275   3HD2  LEU  31          3HD2      LEU  34  11.605  14.754   7.665
  276    H    ILE  32           H        ILE  35  13.841  15.200  12.205
  277    HA   ILE  32           HA       ILE  35  11.434  13.665  12.208
  278    HB   ILE  32           HB       ILE  35  13.615  13.606  14.325
  279   1HG1  ILE  32          1HG1      ILE  35  14.632  12.931  12.272
  280   2HG1  ILE  32          2HG1      ILE  35  14.330  11.497  13.226
  281   1HG2  ILE  32          2HG2      ILE  35  11.288  11.712  13.816
  282   2HG2  ILE  32          3HG2      ILE  35  12.688  11.319  14.831
  283   3HG2  ILE  32          1HG2      ILE  35  11.627  12.644  15.287
  284   1HD1  ILE  32          1HD1      ILE  35  12.264  11.073  11.811
  285   2HD1  ILE  32          2HD1      ILE  35  12.759  12.452  10.798
  286   3HD1  ILE  32          3HD1      ILE  35  13.798  11.027  10.925
  287    H    GLN  33           H        GLN  36  12.674  15.577  14.750
  288    HA   GLN  33           HA       GLN  36  10.456  15.436  16.501
  289   1HB   GLN  33          1HB       GLN  36  12.493  17.673  16.172
  290   2HB   GLN  33          2HB       GLN  36  11.323  17.599  17.493
  291   1HG   GLN  33          1HG       GLN  36  13.451  15.494  16.900
  292   2HG   GLN  33          2HG       GLN  36  13.522  16.709  18.179
  293   1HE2  GLN  33          1HE2      GLN  36  10.814  15.024  20.051
  294   2HE2  GLN  33          2HE2      GLN  36  11.173  16.648  19.489
  295    H    ALA  34           H        ALA  37  11.045  17.933  13.989
  296    HA   ALA  34           HA       ALA  37   8.553  19.303  14.668
  297   1HB   ALA  34          1HB       ALA  37  10.544  20.518  13.914
  298   2HB   ALA  34          2HB       ALA  37  10.482  19.683  12.348
  299   3HB   ALA  34          3HB       ALA  37   9.171  20.783  12.820
  300    H    GLU  35           H        GLU  38   9.670  17.353  11.873
  301    HA   GLU  35           HA       GLU  38   7.139  17.696  10.503
  302   1HB   GLU  35          1HB       GLU  38   9.610  17.602   9.608
  303   2HB   GLU  35          2HB       GLU  38   9.323  15.860   9.548
  304   1HG   GLU  35          1HG       GLU  38   7.346  16.272   8.079
  305   2HG   GLU  35          2HG       GLU  38   7.617  18.017   8.209
  306    H    PHE  36           H        PHE  39   8.737  14.919  12.220
  307    HA   PHE  36           HA       PHE  39   6.148  13.621  12.398
  308   1HB   PHE  36          1HB       PHE  39   6.947  11.519  11.180
  309   2HB   PHE  36          2HB       PHE  39   6.226  12.850  10.319
  310    HD1  PHE  36           HD1      PHE  39   9.517  11.185  11.011
  311    HD2  PHE  36           HD2      PHE  39   7.299  13.920   8.517
  312    HE1  PHE  36           HE1      PHE  39  11.262  11.031   9.280
  313    HE2  PHE  36           HE2      PHE  39   9.006  13.671   6.742
  314    HZ   PHE  36           HZ       PHE  39  10.981  12.207   7.106
  315    HA   PRO  37           HA       PRO  40   9.140  12.425  15.634
  316   1HB   PRO  37          1HB       PRO  40   7.629  12.903  17.878
  317   2HB   PRO  37          2HB       PRO  40   8.527  14.169  17.007
  318   1HG   PRO  37          1HG       PRO  40   5.606  13.442  16.631
  319   2HG   PRO  37          2HG       PRO  40   6.301  15.064  16.945
  320   1HD   PRO  37          1HD       PRO  40   5.744  14.290  14.430
  321   2HD   PRO  37          2HD       PRO  40   7.283  15.146  14.770
  322    H    SER  38           H        SER  41   6.491  11.116  14.244
  323    HA   SER  38           HA       SER  41   5.222   9.269  15.661
  324   1HB   SER  38          1HB       SER  41   6.394   8.642  12.942
  325   2HB   SER  38          2HB       SER  41   4.766   8.317  13.574
  326    HG   SER  38           HG       SER  41   4.658  10.127  12.231
  327    H    LEU  39           H        LEU  42   8.585   9.008  14.498
  328    HA   LEU  39           HA       LEU  42   9.041   6.268  14.910
  329   1HB   LEU  39          1HB       LEU  42  10.990   8.554  15.422
  330   2HB   LEU  39          2HB       LEU  42  11.413   6.858  15.157
  331    HG   LEU  39           HG       LEU  42  10.160   8.752  13.114
  332   1HD1  LEU  39          1HD1      LEU  42  12.563   9.121  13.587
  333   2HD1  LEU  39          2HD1      LEU  42  12.896   7.411  13.238
  334   3HD1  LEU  39          3HD1      LEU  42  12.305   8.483  11.954
  335   1HD2  LEU  39          1HD2      LEU  42  10.900   5.798  12.872
  336   2HD2  LEU  39          2HD2      LEU  42   9.280   6.510  12.673
  337   3HD2  LEU  39          3HD2      LEU  42  10.548   6.869  11.500
  338    H    LEU  40           H        LEU  43   8.793   8.840  17.358
  339    HA   LEU  40           HA       LEU  43   9.824   7.066  19.448
  340   1HB   LEU  40          1HB       LEU  43   8.564   9.826  19.549
  341   2HB   LEU  40          2HB       LEU  43   9.279   9.000  20.936
  342    HG   LEU  40           HG       LEU  43  10.838   9.753  18.411
  343   1HD1  LEU  40          2HD1      LEU  43  10.676  11.108  21.137
  344   2HD1  LEU  40          3HD1      LEU  43  11.787  11.552  19.827
  345   3HD1  LEU  40          1HD1      LEU  43  10.042  11.747  19.603
  346   1HD2  LEU  40          1HD2      LEU  43  11.672   8.660  21.142
  347   2HD2  LEU  40          2HD2      LEU  43  11.929   7.901  19.555
  348   3HD2  LEU  40          3HD2      LEU  43  12.800   9.377  19.982
  349    H    LYS  41           H        LYS  44   6.866   7.421  17.968
  350    HA   LYS  41           HA       LYS  44   5.235   6.824  20.352
  351   1HB   LYS  41          1HB       LYS  44   4.370   6.943  17.449
  352   2HB   LYS  41          2HB       LYS  44   3.350   7.027  18.888
  353   1HG   LYS  41          1HG       LYS  44   5.406   9.099  17.988
  354   2HG   LYS  41          2HG       LYS  44   3.650   9.227  17.859
  355   1HD   LYS  41          1HD       LYS  44   3.468   9.136  20.348
  356   2HD   LYS  41          2HD       LYS  44   5.235   9.100  20.475
  357   1HE   LYS  41          1HE       LYS  44   3.621  11.340  19.174
  358   2HE   LYS  41          2HE       LYS  44   4.311  11.377  20.805
  359   1HZ   LYS  41          1HZ       LYS  44   6.480  11.143  19.841
  360   2HZ   LYS  41          2HZ       LYS  44   5.856  11.123  18.318
  361   3HZ   LYS  41          3HZ       LYS  44   5.716  12.476  19.246
  362    H    GLY  42           H        GLY  45   6.864   4.894  20.520
  363   1HA   GLY  42          1HA       GLY  45   6.062   2.586  20.963
  364   2HA   GLY  42          2HA       GLY  45   5.533   2.466  19.290
  365    HA   PRO  43           HA       PRO  46   9.364   0.992  17.823
  366   1HB   PRO  43          1HB       PRO  46  10.058   3.520  16.334
  367   2HB   PRO  43          2HB       PRO  46  10.016   1.843  15.739
  368   1HG   PRO  43          1HG       PRO  46   7.986   3.569  15.157
  369   2HG   PRO  43          2HG       PRO  46   7.640   1.870  15.596
  370   1HD   PRO  43          1HD       PRO  46   7.448   4.315  17.369
  371   2HD   PRO  43          2HD       PRO  46   6.324   2.944  17.187
  372    NH1  ARG  44           NH2      ARG  47   8.654   1.952  24.931
  373    NH2  ARG  44           NH1      ARG  47   8.061   0.762  23.016
  374    H    ARG  44           H        ARG  47   9.842   4.469  18.622
  375    HA   ARG  44           HA       ARG  47  11.408   5.583  19.808
  376   1HB   ARG  44          1HB       ARG  47  11.387   2.987  21.352
  377   2HB   ARG  44          2HB       ARG  47  12.357   4.370  21.858
  378   1HG   ARG  44          1HG       ARG  47  10.520   5.778  22.219
  379   2HG   ARG  44          2HG       ARG  47   9.421   4.776  21.260
  380   1HD   ARG  44          1HD       ARG  47  10.665   3.817  23.862
  381   2HD   ARG  44          2HD       ARG  47   9.068   4.599  23.735
  382    HE   ARG  44           HE       ARG  47   9.156   2.542  21.808
  383   1HH1  ARG  44          1HH2      ARG  47   9.105   2.758  25.335
  384   2HH1  ARG  44          2HH2      ARG  47   8.233   1.259  25.531
  385   1HH2  ARG  44          1HH1      ARG  47   8.070   0.741  21.997
  386   2HH2  ARG  44          2HH1      ARG  47   7.630   0.019  23.543
  387    H    THR  45           H        THR  48  12.217   4.322  17.380
  388    HA   THR  45           HA       THR  48  15.007   3.511  17.724
  389    HB   THR  45           HB       THR  48  13.138   3.854  15.457
  No match found for entry  HG1THR          45
  390   1HG2  THR  45          2HG2      THR  48  15.998   4.886  15.010
  391   2HG2  THR  45          3HG2      THR  48  15.103   3.926  13.815
  392   3HG2  THR  45          1HG2      THR  48  14.464   5.455  14.381
  393    H    LEU  46           H        LEU  49  13.458   6.161  16.361
  394    HA   LEU  46           HA       LEU  49  13.997   8.169  15.569
  395   1HB   LEU  46          1HB       LEU  49  13.752   8.733  17.910
  396   2HB   LEU  46          2HB       LEU  49  15.492   8.573  18.192
  397    HG   LEU  46           HG       LEU  49  14.524  10.359  15.926
  398   1HD1  LEU  46          2HD1      LEU  49  14.440  11.149  18.860
  399   2HD1  LEU  46          3HD1      LEU  49  14.251  12.254  17.477
  400   3HD1  LEU  46          1HD1      LEU  49  13.053  10.987  17.760
  401   1HD2  LEU  46          1HD2      LEU  49  16.820  10.602  17.921
  402   2HD2  LEU  46          2HD2      LEU  49  16.972  10.149  16.214
  403   3HD2  LEU  46          3HD2      LEU  49  16.437  11.766  16.635
  404    H    ASP  47           H        ASP  50  17.057   7.105  17.151
  405    HA   ASP  47           HA       ASP  50  18.463   8.108  14.847
  406   1HB   ASP  47          1HB       ASP  50  19.204   8.827  17.091
  407   2HB   ASP  47          2HB       ASP  50  19.531   7.141  17.528
  408    H    ASP  48           H        ASP  51  17.794   4.878  16.060
  409    HA   ASP  48           HA       ASP  51  20.015   3.539  15.023
  410   1HB   ASP  48          1HB       ASP  51  18.365   2.427  16.405
  411   2HB   ASP  48          2HB       ASP  51  17.115   2.610  15.175
  412    H    LEU  49           H        LEU  52  16.916   3.595  13.207
  413    HA   LEU  49           HA       LEU  52  18.196   2.745  10.809
  414   1HB   LEU  49          1HB       LEU  52  16.150   2.959   9.681
  415   2HB   LEU  49          2HB       LEU  52  15.856   2.356  11.303
  416    HG   LEU  49           HG       LEU  52  15.364   4.960  11.804
  417   1HD1  LEU  49          2HD1      LEU  52  14.662   4.636   8.845
  418   2HD1  LEU  49          3HD1      LEU  52  14.170   5.969   9.903
  419   3HD1  LEU  49          1HD1      LEU  52  15.873   5.758   9.488
  420   1HD2  LEU  49          2HD2      LEU  52  13.770   3.064  12.105
  421   2HD2  LEU  49          3HD2      LEU  52  12.980   4.480  11.393
  422   3HD2  LEU  49          1HD2      LEU  52  13.420   3.098  10.369
  423    H    PHE  50           H        PHE  53  17.348   5.921  12.000
  424    HA   PHE  50           HA       PHE  53  17.924   7.665   9.899
  425   1HB   PHE  50          1HB       PHE  53  16.935   8.236  12.006
  426   2HB   PHE  50          2HB       PHE  53  18.330   7.659  12.864
  427    HD1  PHE  50           HD2      PHE  53  20.660   9.077  12.237
  428    HD2  PHE  50           HD1      PHE  53  16.561  10.386  12.589
  429    HE1  PHE  50           HE2      PHE  53  21.400  11.100  13.367
  430    HE2  PHE  50           HE1      PHE  53  17.319  12.343  13.868
  431    HZ   PHE  50           HZ       PHE  53  19.743  12.731  14.250
  432    H    GLN  51           H        GLN  54  20.193   6.226  12.308
  433    HA   GLN  51           HA       GLN  54  22.548   7.360  11.149
  434   1HB   GLN  51          1HB       GLN  54  22.356   6.668  13.501
  435   2HB   GLN  51          2HB       GLN  54  22.202   4.971  13.017
  436   1HG   GLN  51          1HG       GLN  54  24.495   5.047  12.057
  437   2HG   GLN  51          2HG       GLN  54  24.590   6.779  12.411
  438   1HE2  GLN  51          1HE2      GLN  54  24.691   4.146  15.607
  439   2HE2  GLN  51          2HE2      GLN  54  23.750   3.724  14.185
  440    H    GLU  52           H        GLU  55  20.971   4.128  10.924
  441    HA   GLU  52           HA       GLU  55  22.848   2.856   9.277
  442   1HB   GLU  52          1HB       GLU  55  20.865   1.821  10.360
  443   2HB   GLU  52          2HB       GLU  55  19.817   2.546   9.136
  444   1HG   GLU  52          1HG       GLU  55  22.119   0.655   8.484
  445   2HG   GLU  52          2HG       GLU  55  20.469   0.111   8.803
  446    H    LEU  53           H        LEU  56  20.247   5.101   8.348
  447    HA   LEU  53           HA       LEU  56  20.661   4.903   5.504
  448   1HB   LEU  53          1HB       LEU  56  19.291   6.947   7.269
  449   2HB   LEU  53          2HB       LEU  56  19.245   7.015   5.511
  450    HG   LEU  53           HG       LEU  56  18.198   4.669   7.149
  451   1HD1  LEU  53          1HD1      LEU  56  16.944   6.783   7.557
  452   2HD1  LEU  53          2HD1      LEU  56  16.694   6.957   5.809
  453   3HD1  LEU  53          3HD1      LEU  56  15.973   5.586   6.682
  454   1HD2  LEU  53          1HD2      LEU  56  17.794   5.345   4.210
  455   2HD2  LEU  53          2HD2      LEU  56  18.792   4.011   4.834
  456   3HD2  LEU  53          3HD2      LEU  56  17.058   4.008   5.115
  457    H    ASP  54           H        ASP  57  22.868   6.186   7.686
  458    HA   ASP  54           HA       ASP  57  23.684   8.594   6.307
  459   1HB   ASP  54          1HB       ASP  57  25.209   6.630   8.057
  460   2HB   ASP  54          2HB       ASP  57  25.839   8.168   7.442
  461    H    LYS  55           H        LYS  58  24.062   8.528   4.170
  462    HA   LYS  55           HA       LYS  58  24.882   6.443   2.577
  463   1HB   LYS  55          1HB       LYS  58  24.139   8.861   2.009
  464   2HB   LYS  55          2HB       LYS  58  25.844   9.301   2.141
  465   1HG   LYS  55          1HG       LYS  58  26.362   7.554   0.382
  466   2HG   LYS  55          2HG       LYS  58  24.628   7.201   0.293
  467   1HD   LYS  55          1HD       LYS  58  24.297   9.712  -0.240
  468   2HD   LYS  55          2HD       LYS  58  26.053   9.806  -0.413
  469   1HE   LYS  55          1HE       LYS  58  25.128   9.516  -2.610
  470   2HE   LYS  55          2HE       LYS  58  25.852   7.956  -2.178
  471   1HZ   LYS  55          1HZ       LYS  58  23.630   7.222  -1.565
  472   2HZ   LYS  55          2HZ       LYS  58  23.004   8.685  -1.988
  473   3HZ   LYS  55          3HZ       LYS  58  23.678   7.715  -3.135
  474    H    ASN  56           H        ASN  59  26.957   8.713   4.368
  475    HA   ASN  56           HA       ASN  59  29.400   7.154   3.645
  476   1HB   ASN  56          1HB       ASN  59  29.053   9.762   3.379
  477   2HB   ASN  56          2HB       ASN  59  29.447   9.783   5.103
  478   1HD2  ASN  56          1HD2      ASN  59  32.873   8.589   4.439
  479   2HD2  ASN  56          2HD2      ASN  59  31.548   8.296   5.567
  480    H    GLY  57           H        GLY  60  27.269   6.395   5.756
  481   1HA   GLY  57          1HA       GLY  60  27.207   5.478   7.824
  482   2HA   GLY  57          2HA       GLY  60  28.926   5.172   7.606
  483    H    ASP  58           H        ASP  61  27.839   8.554   7.775
  484    HA   ASP  58           HA       ASP  61  28.234   8.758  10.651
  485   1HB   ASP  58          1HB       ASP  61  30.581   8.586   9.929
  486   2HB   ASP  58          2HB       ASP  61  30.334   9.885   8.750
  487    H    GLY  59           H        GLY  62  26.060   9.563  10.260
  488   1HA   GLY  59          1HA       GLY  62  24.507  11.262  10.116
  489   2HA   GLY  59          2HA       GLY  62  25.857  12.334  10.493
  490    H    GLU  60           H        GLU  63  24.507  10.519   7.690
  491    HA   GLU  60           HA       GLU  63  24.565  12.928   6.007
  492   1HB   GLU  60          1HB       GLU  63  26.323  10.490   5.484
  493   2HB   GLU  60          2HB       GLU  63  25.871  11.647   4.228
  494   1HG   GLU  60          1HG       GLU  63  26.850  13.504   5.710
  495   2HG   GLU  60          2HG       GLU  63  27.634  12.208   6.626
  496    H    VAL  61           H        VAL  64  22.206  12.161   6.443
  497    HA   VAL  61           HA       VAL  64  21.434   9.881   4.685
  498    HB   VAL  61           HB       VAL  64  19.834  11.762   6.442
  499   1HG1  VAL  61          2HG1      VAL  64  18.946   9.325   4.832
  500   2HG1  VAL  61          3HG1      VAL  64  17.957  10.132   6.066
  501   3HG1  VAL  61          1HG1      VAL  64  18.408  10.999   4.594
  502   1HG2  VAL  61          2HG2      VAL  64  21.257  10.143   7.705
  503   2HG2  VAL  61          3HG2      VAL  64  19.537   9.748   7.874
  504   3HG2  VAL  61          1HG2      VAL  64  20.564   8.824   6.766
  505    H    SER  62           H        SER  65  21.870  10.439   2.662
  506    HA   SER  62           HA       SER  65  21.348  13.061   1.602
  507   1HB   SER  62          1HB       SER  65  22.135  12.195  -0.442
  508   2HB   SER  62          2HB       SER  65  23.038  11.317   0.816
  509    HG   SER  62           HG       SER  65  21.855   9.519   0.405
  510    H    PHE  63           H        PHE  66  19.741  13.514  -0.169
  511    HA   PHE  63           HA       PHE  66  17.139  12.849   0.610
  512   1HB   PHE  63          1HB       PHE  66  17.827  14.702  -0.944
  513   2HB   PHE  63          2HB       PHE  66  17.936  13.511  -2.238
  514    HD1  PHE  63           HD2      PHE  66  15.577  14.766   0.432
  515    HD2  PHE  63           HD1      PHE  66  15.946  13.103  -3.533
  516    HE1  PHE  63           HE2      PHE  66  13.140  14.999   0.110
  517    HE2  PHE  63           HE1      PHE  66  13.505  13.370  -3.859
  518    HZ   PHE  63           HZ       PHE  66  12.095  14.322  -2.044
  519    H    GLU  64           H        GLU  67  19.302  11.193  -1.610
  520    HA   GLU  64           HA       GLU  67  17.614   9.291  -2.776
  521   1HB   GLU  64          1HB       GLU  67  20.512   8.800  -1.969
  522   2HB   GLU  64          2HB       GLU  67  19.578   8.013  -3.234
  523   1HG   GLU  64          1HG       GLU  67  20.791   9.486  -4.504
  524   2HG   GLU  64          2HG       GLU  67  19.355  10.474  -4.224
  525    H    GLU  65           H        GLU  68  19.009   9.333   0.492
  526    HA   GLU  65           HA       GLU  68  17.965   6.589   1.051
  527   1HB   GLU  65          1HB       GLU  68  19.907   8.429   2.510
  528   2HB   GLU  65          2HB       GLU  68  19.097   7.074   3.290
  529   1HG   GLU  65          1HG       GLU  68  21.201   6.262   2.570
  530   2HG   GLU  65          2HG       GLU  68  19.972   5.510   1.553
  531    H    PHE  66           H        PHE  69  17.515   9.987   1.903
  532    HA   PHE  66           HA       PHE  69  15.860   9.938   4.084
  533   1HB   PHE  66          1HB       PHE  69  16.658  11.958   2.912
  534   2HB   PHE  66          2HB       PHE  69  15.544  11.624   1.583
  535    HD1  PHE  66           HD1      PHE  69  15.454  12.136   5.313
  536    HD2  PHE  66           HD2      PHE  69  13.471  12.697   1.524
  537    HE1  PHE  66           HE1      PHE  69  13.555  13.234   6.461
  538    HE2  PHE  66           HE2      PHE  69  11.645  13.922   2.665
  539    HZ   PHE  66           HZ       PHE  69  11.665  14.175   5.134
  540    H    GLN  67           H        GLN  70  14.904   9.247   0.723
  541    HA   GLN  67           HA       GLN  70  12.168   9.191   1.039
  542   1HB   GLN  67          1HB       GLN  70  12.069   7.580  -0.866
  543   2HB   GLN  67          2HB       GLN  70  12.957   9.081  -1.104
  544   1HG   GLN  67          1HG       GLN  70  14.189   7.370  -2.175
  545   2HG   GLN  67          2HG       GLN  70  15.101   7.906  -0.769
  546   1HE2  GLN  67          1HE2      GLN  70  15.585   4.403  -0.290
  547   2HE2  GLN  67          2HE2      GLN  70  16.307   5.913  -0.846
  548    H    VAL  68           H        VAL  71  14.393   6.799   2.405
  549    HA   VAL  68           HA       VAL  71  12.476   4.733   2.809
  550    HB   VAL  68           HB       VAL  71  14.949   5.488   4.408
  551   1HG1  VAL  68          2HG1      VAL  71  13.203   2.985   4.528
  552   2HG1  VAL  68          3HG1      VAL  71  14.819   3.120   5.248
  553   3HG1  VAL  68          1HG1      VAL  71  13.507   4.133   5.853
  554   1HG2  VAL  68          1HG2      VAL  71  14.394   3.404   2.237
  555   2HG2  VAL  68          2HG2      VAL  71  15.422   4.839   2.074
  556   3HG2  VAL  68          3HG2      VAL  71  15.906   3.527   3.148
  557    H    LEU  69           H        LEU  72  13.089   7.779   4.600
  558    HA   LEU  69           HA       LEU  72  11.244   7.108   6.762
  559   1HB   LEU  69          1HB       LEU  72  12.345   9.766   5.743
  560   2HB   LEU  69          2HB       LEU  72  11.303   9.610   7.150
  561    HG   LEU  69           HG       LEU  72  13.951   8.137   6.928
  562   1HD1  LEU  69          2HD1      LEU  72  13.409  10.876   8.149
  563   2HD1  LEU  69          3HD1      LEU  72  14.915   9.947   8.325
  564   3HD1  LEU  69          1HD1      LEU  72  14.410  10.514   6.728
  565   1HD2  LEU  69          1HD2      LEU  72  12.139   8.860   9.287
  566   2HD2  LEU  69          2HD2      LEU  72  12.466   7.231   8.665
  567   3HD2  LEU  69          3HD2      LEU  72  13.757   8.165   9.441
  568    H    VAL  70           H        VAL  73  11.131   9.024   3.769
  569    HA   VAL  70           HA       VAL  73   8.467   9.879   3.874
  570    HB   VAL  70           HB       VAL  73  10.027   9.106   1.380
  571   1HG1  VAL  70          2HG1      VAL  73   7.536  10.786   1.731
  572   2HG1  VAL  70          3HG1      VAL  73   8.547  10.780   0.263
  573   3HG1  VAL  70          1HG1      VAL  73   7.725   9.308   0.767
  574   1HG2  VAL  70          1HG2      VAL  73   9.774  11.761   2.875
  575   2HG2  VAL  70          2HG2      VAL  73  11.248  10.790   2.733
  576   3HG2  VAL  70          3HG2      VAL  73  10.564  11.550   1.296
  577    H    LYS  71           H        LYS  74   9.757   6.723   2.987
  578    HA   LYS  71           HA       LYS  74   7.708   5.475   1.705
  579   1HB   LYS  71          1HB       LYS  74  10.047   4.604   2.651
  580   2HB   LYS  71          2HB       LYS  74   9.075   4.079   4.010
  581   1HG   LYS  71          1HG       LYS  74   9.299   2.233   2.545
  582   2HG   LYS  71          2HG       LYS  74   7.627   2.778   2.430
  583   1HD   LYS  71          1HD       LYS  74   8.552   2.133   0.266
  584   2HD   LYS  71          2HD       LYS  74   8.088   3.826   0.227
  585   1HE   LYS  71          1HE       LYS  74  10.965   3.035   0.864
  586   2HE   LYS  71          2HE       LYS  74  10.382   3.007  -0.803
  587   1HZ   LYS  71          2HZ       LYS  74  10.333   5.390   0.909
  588   2HZ   LYS  71          3HZ       LYS  74  11.414   5.056  -0.274
  589   3HZ   LYS  71          1HZ       LYS  74   9.825   5.287  -0.655
  590    H    LYS  72           H        LYS  75   7.779   6.217   5.232
  591    HA   LYS  72           HA       LYS  75   5.131   4.880   5.512
  592   1HB   LYS  72          1HB       LYS  75   5.341   5.206   7.891
  593   2HB   LYS  72          2HB       LYS  75   6.610   4.232   7.162
  594   1HG   LYS  72          1HG       LYS  75   7.546   5.547   8.892
  595   2HG   LYS  72          2HG       LYS  75   8.212   6.096   7.358
  596   1HD   LYS  72          1HD       LYS  75   6.784   8.083   7.410
  597   2HD   LYS  72          2HD       LYS  75   5.851   7.441   8.776
  598   1HE   LYS  72          1HE       LYS  75   7.395   9.164   9.549
  599   2HE   LYS  72          2HE       LYS  75   7.892   7.598  10.209
  600   1HZ   LYS  72          2HZ       LYS  75   9.043   8.872   7.824
  601   2HZ   LYS  72          3HZ       LYS  75   9.718   8.902   9.329
  602   3HZ   LYS  72          1HZ       LYS  75   9.555   7.474   8.519
  603    H    ILE  73           H        ILE  76   6.283   7.983   4.757
  604    HA   ILE  73           HA       ILE  76   4.070   9.479   5.957
  605    HB   ILE  73           HB       ILE  76   5.969  10.314   3.725
  606   1HG1  ILE  73          1HG1      ILE  76   7.300   9.639   5.692
  607   2HG1  ILE  73          2HG1      ILE  76   7.419  11.359   5.319
  608   1HG2  ILE  73          2HG2      ILE  76   4.238  11.937   5.622
  609   2HG2  ILE  73          3HG2      ILE  76   5.463  12.610   4.523
  610   3HG2  ILE  73          1HG2      ILE  76   4.053  11.769   3.868
  611   1HD1  ILE  73          2HD1      ILE  76   5.657  10.192   7.503
  612   2HD1  ILE  73          3HD1      ILE  76   7.304  10.827   7.698
  613   3HD1  ILE  73          1HD1      ILE  76   5.995  11.915   7.187
  614    H    SER  74           H        SER  77   5.047   8.213   2.750
  615    HA   SER  74           HA       SER  77   2.367   8.919   1.711
  616   1HB   SER  74          1HB       SER  77   4.860   7.953   0.264
  617   2HB   SER  74          2HB       SER  77   3.287   8.238  -0.509
  618    HG   SER  74           HG       SER  77   4.964  10.103   0.793
  619    H    GLN  75           H        GLN  78   0.803   7.630   1.323
  620    HA   GLN  75           HA       GLN  78   1.126   4.693   1.478
  621   1HB   GLN  75          1HB       GLN  78  -0.912   6.248   3.127
  622   2HB   GLN  75          2HB       GLN  78  -0.516   4.523   3.218
  623   1HG   GLN  75          1HG       GLN  78   1.775   5.166   4.074
  624   2HG   GLN  75          2HG       GLN  78   1.273   6.872   4.055
  625   1HE2  GLN  75          1HE2      GLN  78   0.743   5.953   7.521
  626   2HE2  GLN  75          2HE2      GLN  78   2.065   6.370   6.439
   
  No H/Q in entry =         627
  Start of MODEL          13
 Raw file had 628 H/Q atoms
  Start of MODEL   13
  No match found for entry 1H  SER          -2
  No match found for entry 2H  SER          -2
  No match found for entry 3H  SER          -2
  No match found for entry  HA SER          -2
  No match found for entry 1HB SER          -2
  No match found for entry 2HB SER          -2
  No match found for entry  HG SER          -2
  No match found for entry  H  ALA          -1
  No match found for entry  HA ALA          -1
  No match found for entry 1HB ALA          -1
  No match found for entry 2HB ALA          -1
  No match found for entry 3HB ALA          -1
  No match found for entry  H  GLN           0
  No match found for entry  HA GLN           0
  No match found for entry 1HB GLN           0
  No match found for entry 2HB GLN           0
  No match found for entry 1HG GLN           0
  No match found for entry 2HG GLN           0
  No match found for entry 1HE2GLN           0
  No match found for entry 2HE2GLN           0
  No match found for entry  H  LYS           1
  No match found for entry  HA LYS           1
  No match found for entry 1HB LYS           1
  No match found for entry 2HB LYS           1
  No match found for entry 1HG LYS           1
  No match found for entry 2HG LYS           1
  No match found for entry 1HD LYS           1
  No match found for entry 2HD LYS           1
  No match found for entry 1HE LYS           1
  No match found for entry 2HE LYS           1
  No match found for entry 1HZ LYS           1
  No match found for entry 2HZ LYS           1
  No match found for entry 3HZ LYS           1
  No match found for entry  H  SER           2
  No match found for entry  HA SER           2
  No match found for entry 1HB SER           2
  No match found for entry 2HB SER           2
  No match found for entry  HG SER           2
  No match found for entry  HA PRO           3
  No match found for entry 1HB PRO           3
  No match found for entry 2HB PRO           3
  No match found for entry 1HG PRO           3
  No match found for entry 2HG PRO           3
  No match found for entry 1HD PRO           3
  No match found for entry 2HD PRO           3
  No match found for entry  H  ALA           4
  No match found for entry  HA ALA           4
  No match found for entry 1HB ALA           4
  No match found for entry 2HB ALA           4
  No match found for entry 3HB ALA           4
  No match found for entry  H  GLU           5
  No match found for entry  HA GLU           5
  No match found for entry 1HB GLU           5
  No match found for entry 2HB GLU           5
  No match found for entry 1HG GLU           5
  No match found for entry 2HG GLU           5
  No match found for entry  H  LEU           6
  No match found for entry  HA LEU           6
  No match found for entry 1HB LEU           6
  No match found for entry 2HB LEU           6
  No match found for entry  HG LEU           6
  No match found for entry 1HD1LEU           6
  No match found for entry 2HD1LEU           6
  No match found for entry 3HD1LEU           6
  No match found for entry 1HD2LEU           6
  No match found for entry 2HD2LEU           6
  No match found for entry 3HD2LEU           6
  No match found for entry  H  LYS           7
  No match found for entry  HA LYS           7
  No match found for entry 1HB LYS           7
  No match found for entry 2HB LYS           7
  No match found for entry 1HG LYS           7
  No match found for entry 2HG LYS           7
  No match found for entry 1HD LYS           7
  No match found for entry 2HD LYS           7
  No match found for entry 1HE LYS           7
  No match found for entry 2HE LYS           7
  No match found for entry 1HZ LYS           7
  No match found for entry 2HZ LYS           7
  No match found for entry 3HZ LYS           7
  No match found for entry  H  SER           8
  No match found for entry  HA SER           8
  No match found for entry 1HB SER           8
  No match found for entry 2HB SER           8
  No match found for entry  HG SER           8
  No match found for entry  H  ILE           9
  No match found for entry  HA ILE           9
  No match found for entry  HB ILE           9
  No match found for entry 1HG1ILE           9
  No match found for entry 2HG1ILE           9
  No match found for entry 1HG2ILE           9
  No match found for entry 2HG2ILE           9
  No match found for entry 3HG2ILE           9
  No match found for entry 1HD1ILE           9
  No match found for entry 2HD1ILE           9
  No match found for entry 3HD1ILE           9
  No match found for entry  H  PHE          10
  No match found for entry  HA PHE          10
  No match found for entry 1HB PHE          10
  No match found for entry 2HB PHE          10
  No match found for entry  HD1PHE          10
  No match found for entry  HD2PHE          10
  No match found for entry  HE1PHE          10
  No match found for entry  HE2PHE          10
  No match found for entry  HZ PHE          10
  No match found for entry  H  GLU          11
  No match found for entry  HA GLU          11
  No match found for entry 1HB GLU          11
  No match found for entry 2HB GLU          11
  No match found for entry 1HG GLU          11
  No match found for entry 2HG GLU          11
  No match found for entry  H  LYS          12
  No match found for entry  HA LYS          12
  No match found for entry 1HB LYS          12
  No match found for entry 2HB LYS          12
  No match found for entry 1HG LYS          12
  No match found for entry 2HG LYS          12
  No match found for entry 1HD LYS          12
  No match found for entry 2HD LYS          12
  No match found for entry 1HE LYS          12
  No match found for entry 2HE LYS          12
  No match found for entry 1HZ LYS          12
  No match found for entry 2HZ LYS          12
  No match found for entry 3HZ LYS          12
  No match found for entry  OH TYR          13
  No match found for entry  H  TYR          13
  No match found for entry  HA TYR          13
  No match found for entry 1HB TYR          13
  No match found for entry 2HB TYR          13
  No match found for entry  HD1TYR          13
  No match found for entry  HD2TYR          13
  No match found for entry  HE1TYR          13
  No match found for entry  HE2TYR          13
  No match found for entry  HH TYR          13
  No match found for entry  H  ALA          14
  No match found for entry  HA ALA          14
  No match found for entry 1HB ALA          14
  No match found for entry 2HB ALA          14
  No match found for entry 3HB ALA          14
  No match found for entry  H  ALA          15
  No match found for entry  HA ALA          15
  No match found for entry 1HB ALA          15
  No match found for entry 2HB ALA          15
  No match found for entry 3HB ALA          15
  No match found for entry  H  LYS          16
  No match found for entry  HA LYS          16
  No match found for entry 1HB LYS          16
  No match found for entry 2HB LYS          16
  No match found for entry 1HG LYS          16
  No match found for entry 2HG LYS          16
  No match found for entry 1HD LYS          16
  No match found for entry 2HD LYS          16
  No match found for entry 1HE LYS          16
  No match found for entry 2HE LYS          16
  No match found for entry 1HZ LYS          16
  No match found for entry 2HZ LYS          16
  No match found for entry 3HZ LYS          16
  No match found for entry  H  GLU          17
  No match found for entry  HA GLU          17
  No match found for entry 1HB GLU          17
  No match found for entry 2HB GLU          17
  No match found for entry 1HG GLU          17
  No match found for entry 2HG GLU          17
  No match found for entry  H  GLY          18
  No match found for entry 1HA GLY          18
  No match found for entry 2HA GLY          18
  No match found for entry  H  ASP          19
  No match found for entry  HA ASP          19
  No match found for entry 1HB ASP          19
  No match found for entry 2HB ASP          19
  No match found for entry  HA PRO          20
  No match found for entry 1HB PRO          20
  No match found for entry 2HB PRO          20
  No match found for entry 1HG PRO          20
  No match found for entry 2HG PRO          20
  No match found for entry 1HD PRO          20
  No match found for entry 2HD PRO          20
  No match found for entry  H  ASN          21
  No match found for entry  HA ASN          21
  No match found for entry 1HB ASN          21
  No match found for entry 2HB ASN          21
  No match found for entry 1HD2ASN          21
  No match found for entry 2HD2ASN          21
  No match found for entry  H  GLN          22
  No match found for entry  HA GLN          22
  No match found for entry 1HB GLN          22
  No match found for entry 2HB GLN          22
  No match found for entry 1HG GLN          22
  No match found for entry 2HG GLN          22
  No match found for entry 1HE2GLN          22
  No match found for entry 2HE2GLN          22
  No match found for entry  H  LEU          23
  No match found for entry  HA LEU          23
  No match found for entry 1HB LEU          23
  No match found for entry 2HB LEU          23
  No match found for entry  HG LEU          23
  No match found for entry 1HD1LEU          23
  No match found for entry 2HD1LEU          23
  No match found for entry 3HD1LEU          23
  No match found for entry 1HD2LEU          23
  No match found for entry 2HD2LEU          23
  No match found for entry 3HD2LEU          23
  No match found for entry  H  SER          24
  No match found for entry  HA SER          24
  No match found for entry 1HB SER          24
  No match found for entry 2HB SER          24
  No match found for entry  HG SER          24
  No match found for entry  H  LYS          25
  No match found for entry  HA LYS          25
  No match found for entry 1HB LYS          25
  No match found for entry 2HB LYS          25
  No match found for entry 1HG LYS          25
  No match found for entry 2HG LYS          25
  No match found for entry 1HD LYS          25
  No match found for entry 2HD LYS          25
  No match found for entry 1HE LYS          25
  No match found for entry 2HE LYS          25
  No match found for entry 1HZ LYS          25
  No match found for entry 2HZ LYS          25
  No match found for entry 3HZ LYS          25
  No match found for entry  H  GLU          26
  No match found for entry  HA GLU          26
  No match found for entry 1HB GLU          26
  No match found for entry 2HB GLU          26
  No match found for entry 1HG GLU          26
  No match found for entry 2HG GLU          26
  No match found for entry  H  GLU          27
  No match found for entry  HA GLU          27
  No match found for entry 1HB GLU          27
  No match found for entry 2HB GLU          27
  No match found for entry 1HG GLU          27
  No match found for entry 2HG GLU          27
  No match found for entry  H  LEU          28
  No match found for entry  HA LEU          28
  No match found for entry 1HB LEU          28
  No match found for entry 2HB LEU          28
  No match found for entry  HG LEU          28
  No match found for entry 1HD1LEU          28
  No match found for entry 2HD1LEU          28
  No match found for entry 3HD1LEU          28
  No match found for entry 1HD2LEU          28
  No match found for entry 2HD2LEU          28
  No match found for entry 3HD2LEU          28
  No match found for entry  H  LYS          29
  No match found for entry  HA LYS          29
  No match found for entry 1HB LYS          29
  No match found for entry 2HB LYS          29
  No match found for entry 1HG LYS          29
  No match found for entry 2HG LYS          29
  No match found for entry 1HD LYS          29
  No match found for entry 2HD LYS          29
  No match found for entry 1HE LYS          29
  No match found for entry 2HE LYS          29
  No match found for entry 1HZ LYS          29
  No match found for entry 2HZ LYS          29
  No match found for entry 3HZ LYS          29
  No match found for entry  H  GLN          30
  No match found for entry  HA GLN          30
  No match found for entry 1HB GLN          30
  No match found for entry 2HB GLN          30
  No match found for entry 1HG GLN          30
  No match found for entry 2HG GLN          30
  No match found for entry 1HE2GLN          30
  No match found for entry 2HE2GLN          30
  No match found for entry  H  LEU          31
  No match found for entry  HA LEU          31
  No match found for entry 1HB LEU          31
  No match found for entry 2HB LEU          31
  No match found for entry  HG LEU          31
  No match found for entry 1HD1LEU          31
  No match found for entry 2HD1LEU          31
  No match found for entry 3HD1LEU          31
  No match found for entry 1HD2LEU          31
  No match found for entry 2HD2LEU          31
  No match found for entry 3HD2LEU          31
  No match found for entry  H  ILE          32
  No match found for entry  HA ILE          32
  No match found for entry  HB ILE          32
  No match found for entry 1HG1ILE          32
  No match found for entry 2HG1ILE          32
  No match found for entry 1HG2ILE          32
  No match found for entry 2HG2ILE          32
  No match found for entry 3HG2ILE          32
  No match found for entry 1HD1ILE          32
  No match found for entry 2HD1ILE          32
  No match found for entry 3HD1ILE          32
  No match found for entry  H  GLN          33
  No match found for entry  HA GLN          33
  No match found for entry 1HB GLN          33
  No match found for entry 2HB GLN          33
  No match found for entry 1HG GLN          33
  No match found for entry 2HG GLN          33
  No match found for entry 1HE2GLN          33
  No match found for entry 2HE2GLN          33
  No match found for entry  H  ALA          34
  No match found for entry  HA ALA          34
  No match found for entry 1HB ALA          34
  No match found for entry 2HB ALA          34
  No match found for entry 3HB ALA          34
  No match found for entry  H  GLU          35
  No match found for entry  HA GLU          35
  No match found for entry 1HB GLU          35
  No match found for entry 2HB GLU          35
  No match found for entry 1HG GLU          35
  No match found for entry 2HG GLU          35
  No match found for entry  H  PHE          36
  No match found for entry  HA PHE          36
  No match found for entry 1HB PHE          36
  No match found for entry 2HB PHE          36
  No match found for entry  HD1PHE          36
  No match found for entry  HD2PHE          36
  No match found for entry  HE1PHE          36
  No match found for entry  HE2PHE          36
  No match found for entry  HZ PHE          36
  No match found for entry  HA PRO          37
  No match found for entry 1HB PRO          37
  No match found for entry 2HB PRO          37
  No match found for entry 1HG PRO          37
  No match found for entry 2HG PRO          37
  No match found for entry 1HD PRO          37
  No match found for entry 2HD PRO          37
  No match found for entry  H  SER          38
  No match found for entry  HA SER          38
  No match found for entry 1HB SER          38
  No match found for entry 2HB SER          38
  No match found for entry  HG SER          38
  No match found for entry  H  LEU          39
  No match found for entry  HA LEU          39
  No match found for entry 1HB LEU          39
  No match found for entry 2HB LEU          39
  No match found for entry  HG LEU          39
  No match found for entry 1HD1LEU          39
  No match found for entry 2HD1LEU          39
  No match found for entry 3HD1LEU          39
  No match found for entry 1HD2LEU          39
  No match found for entry 2HD2LEU          39
  No match found for entry 3HD2LEU          39
  No match found for entry  H  LEU          40
  No match found for entry  HA LEU          40
  No match found for entry 1HB LEU          40
  No match found for entry 2HB LEU          40
  No match found for entry  HG LEU          40
  No match found for entry 1HD1LEU          40
  No match found for entry 2HD1LEU          40
  No match found for entry 3HD1LEU          40
  No match found for entry 1HD2LEU          40
  No match found for entry 2HD2LEU          40
  No match found for entry 3HD2LEU          40
  No match found for entry  H  LYS          41
  No match found for entry  HA LYS          41
  No match found for entry 1HB LYS          41
  No match found for entry 2HB LYS          41
  No match found for entry 1HG LYS          41
  No match found for entry 2HG LYS          41
  No match found for entry 1HD LYS          41
  No match found for entry 2HD LYS          41
  No match found for entry 1HE LYS          41
  No match found for entry 2HE LYS          41
  No match found for entry 1HZ LYS          41
  No match found for entry 2HZ LYS          41
  No match found for entry 3HZ LYS          41
  No match found for entry  H  GLY          42
  No match found for entry 1HA GLY          42
  No match found for entry 2HA GLY          42
  No match found for entry  HA PRO          43
  No match found for entry 1HB PRO          43
  No match found for entry 2HB PRO          43
  No match found for entry 1HG PRO          43
  No match found for entry 2HG PRO          43
  No match found for entry 1HD PRO          43
  No match found for entry 2HD PRO          43
  No match found for entry  NH1ARG          44
  No match found for entry  NH2ARG          44
  No match found for entry  H  ARG          44
  No match found for entry  HA ARG          44
  No match found for entry 1HB ARG          44
  No match found for entry 2HB ARG          44
  No match found for entry 1HG ARG          44
  No match found for entry 2HG ARG          44
  No match found for entry 1HD ARG          44
  No match found for entry 2HD ARG          44
  No match found for entry  HE ARG          44
  No match found for entry 1HH1ARG          44
  No match found for entry 2HH1ARG          44
  No match found for entry 1HH2ARG          44
  No match found for entry 2HH2ARG          44
  No match found for entry  H  THR          45
  No match found for entry  HA THR          45
  No match found for entry  HB THR          45
  No match found for entry  HG1THR          45
  No match found for entry 1HG2THR          45
  No match found for entry 2HG2THR          45
  No match found for entry 3HG2THR          45
  No match found for entry  H  LEU          46
  No match found for entry  HA LEU          46
  No match found for entry 1HB LEU          46
  No match found for entry 2HB LEU          46
  No match found for entry  HG LEU          46
  No match found for entry 1HD1LEU          46
  No match found for entry 2HD1LEU          46
  No match found for entry 3HD1LEU          46
  No match found for entry 1HD2LEU          46
  No match found for entry 2HD2LEU          46
  No match found for entry 3HD2LEU          46
  No match found for entry  H  ASP          47
  No match found for entry  HA ASP          47
  No match found for entry 1HB ASP          47
  No match found for entry 2HB ASP          47
  No match found for entry  H  ASP          48
  No match found for entry  HA ASP          48
  No match found for entry 1HB ASP          48
  No match found for entry 2HB ASP          48
  No match found for entry  H  LEU          49
  No match found for entry  HA LEU          49
  No match found for entry 1HB LEU          49
  No match found for entry 2HB LEU          49
  No match found for entry  HG LEU          49
  No match found for entry 1HD1LEU          49
  No match found for entry 2HD1LEU          49
  No match found for entry 3HD1LEU          49
  No match found for entry 1HD2LEU          49
  No match found for entry 2HD2LEU          49
  No match found for entry 3HD2LEU          49
  No match found for entry  H  PHE          50
  No match found for entry  HA PHE          50
  No match found for entry 1HB PHE          50
  No match found for entry 2HB PHE          50
  No match found for entry  HD1PHE          50
  No match found for entry  HD2PHE          50
  No match found for entry  HE1PHE          50
  No match found for entry  HE2PHE          50
  No match found for entry  HZ PHE          50
  No match found for entry  H  GLN          51
  No match found for entry  HA GLN          51
  No match found for entry 1HB GLN          51
  No match found for entry 2HB GLN          51
  No match found for entry 1HG GLN          51
  No match found for entry 2HG GLN          51
  No match found for entry 1HE2GLN          51
  No match found for entry 2HE2GLN          51
  No match found for entry  H  GLU          52
  No match found for entry  HA GLU          52
  No match found for entry 1HB GLU          52
  No match found for entry 2HB GLU          52
  No match found for entry 1HG GLU          52
  No match found for entry 2HG GLU          52
  No match found for entry  H  LEU          53
  No match found for entry  HA LEU          53
  No match found for entry 1HB LEU          53
  No match found for entry 2HB LEU          53
  No match found for entry  HG LEU          53
  No match found for entry 1HD1LEU          53
  No match found for entry 2HD1LEU          53
  No match found for entry 3HD1LEU          53
  No match found for entry 1HD2LEU          53
  No match found for entry 2HD2LEU          53
  No match found for entry 3HD2LEU          53
  No match found for entry  H  ASP          54
  No match found for entry  HA ASP          54
  No match found for entry 1HB ASP          54
  No match found for entry 2HB ASP          54
  No match found for entry  H  LYS          55
  No match found for entry  HA LYS          55
  No match found for entry 1HB LYS          55
  No match found for entry 2HB LYS          55
  No match found for entry 1HG LYS          55
  No match found for entry 2HG LYS          55
  No match found for entry 1HD LYS          55
  No match found for entry 2HD LYS          55
  No match found for entry 1HE LYS          55
  No match found for entry 2HE LYS          55
  No match found for entry 1HZ LYS          55
  No match found for entry 2HZ LYS          55
  No match found for entry 3HZ LYS          55
  No match found for entry  H  ASN          56
  No match found for entry  HA ASN          56
  No match found for entry 1HB ASN          56
  No match found for entry 2HB ASN          56
  No match found for entry 1HD2ASN          56
  No match found for entry 2HD2ASN          56
  No match found for entry  H  GLY          57
  No match found for entry 1HA GLY          57
  No match found for entry 2HA GLY          57
  No match found for entry  H  ASP          58
  No match found for entry  HA ASP          58
  No match found for entry 1HB ASP          58
  No match found for entry 2HB ASP          58
  No match found for entry  H  GLY          59
  No match found for entry 1HA GLY          59
  No match found for entry 2HA GLY          59
  No match found for entry  H  GLU          60
  No match found for entry  HA GLU          60
  No match found for entry 1HB GLU          60
  No match found for entry 2HB GLU          60
  No match found for entry 1HG GLU          60
  No match found for entry 2HG GLU          60
  No match found for entry  H  VAL          61
  No match found for entry  HA VAL          61
  No match found for entry  HB VAL          61
  No match found for entry 1HG1VAL          61
  No match found for entry 2HG1VAL          61
  No match found for entry 3HG1VAL          61
  No match found for entry 1HG2VAL          61
  No match found for entry 2HG2VAL          61
  No match found for entry 3HG2VAL          61
  No match found for entry  H  SER          62
  No match found for entry  HA SER          62
  No match found for entry 1HB SER          62
  No match found for entry 2HB SER          62
  No match found for entry  HG SER          62
  No match found for entry  H  PHE          63
  No match found for entry  HA PHE          63
  No match found for entry 1HB PHE          63
  No match found for entry 2HB PHE          63
  No match found for entry  HD1PHE          63
  No match found for entry  HD2PHE          63
  No match found for entry  HE1PHE          63
  No match found for entry  HE2PHE          63
  No match found for entry  HZ PHE          63
  No match found for entry  H  GLU          64
  No match found for entry  HA GLU          64
  No match found for entry 1HB GLU          64
  No match found for entry 2HB GLU          64
  No match found for entry 1HG GLU          64
  No match found for entry 2HG GLU          64
  No match found for entry  H  GLU          65
  No match found for entry  HA GLU          65
  No match found for entry 1HB GLU          65
  No match found for entry 2HB GLU          65
  No match found for entry 1HG GLU          65
  No match found for entry 2HG GLU          65
  No match found for entry  H  PHE          66
  No match found for entry  HA PHE          66
  No match found for entry 1HB PHE          66
  No match found for entry 2HB PHE          66
  No match found for entry  HD1PHE          66
  No match found for entry  HD2PHE          66
  No match found for entry  HE1PHE          66
  No match found for entry  HE2PHE          66
  No match found for entry  HZ PHE          66
  No match found for entry  H  GLN          67
  No match found for entry  HA GLN          67
  No match found for entry 1HB GLN          67
  No match found for entry 2HB GLN          67
  No match found for entry 1HG GLN          67
  No match found for entry 2HG GLN          67
  No match found for entry 1HE2GLN          67
  No match found for entry 2HE2GLN          67
  No match found for entry  H  VAL          68
  No match found for entry  HA VAL          68
  No match found for entry  HB VAL          68
  No match found for entry 1HG1VAL          68
  No match found for entry 2HG1VAL          68
  No match found for entry 3HG1VAL          68
  No match found for entry 1HG2VAL          68
  No match found for entry 2HG2VAL          68
  No match found for entry 3HG2VAL          68
  No match found for entry  H  LEU          69
  No match found for entry  HA LEU          69
  No match found for entry 1HB LEU          69
  No match found for entry 2HB LEU          69
  No match found for entry  HG LEU          69
  No match found for entry 1HD1LEU          69
  No match found for entry 2HD1LEU          69
  No match found for entry 3HD1LEU          69
  No match found for entry 1HD2LEU          69
  No match found for entry 2HD2LEU          69
  No match found for entry 3HD2LEU          69
  No match found for entry  H  VAL          70
  No match found for entry  HA VAL          70
  No match found for entry  HB VAL          70
  No match found for entry 1HG1VAL          70
  No match found for entry 2HG1VAL          70
  No match found for entry 3HG1VAL          70
  No match found for entry 1HG2VAL          70
  No match found for entry 2HG2VAL          70
  No match found for entry 3HG2VAL          70
  No match found for entry  H  LYS          71
  No match found for entry  HA LYS          71
  No match found for entry 1HB LYS          71
  No match found for entry 2HB LYS          71
  No match found for entry 1HG LYS          71
  No match found for entry 2HG LYS          71
  No match found for entry 1HD LYS          71
  No match found for entry 2HD LYS          71
  No match found for entry 1HE LYS          71
  No match found for entry 2HE LYS          71
  No match found for entry 1HZ LYS          71
  No match found for entry 2HZ LYS          71
  No match found for entry 3HZ LYS          71
  No match found for entry  H  LYS          72
  No match found for entry  HA LYS          72
  No match found for entry 1HB LYS          72
  No match found for entry 2HB LYS          72
  No match found for entry 1HG LYS          72
  No match found for entry 2HG LYS          72
  No match found for entry 1HD LYS          72
  No match found for entry 2HD LYS          72
  No match found for entry 1HE LYS          72
  No match found for entry 2HE LYS          72
  No match found for entry 1HZ LYS          72
  No match found for entry 2HZ LYS          72
  No match found for entry 3HZ LYS          72
  No match found for entry  H  ILE          73
  No match found for entry  HA ILE          73
  No match found for entry  HB ILE          73
  No match found for entry 1HG1ILE          73
  No match found for entry 2HG1ILE          73
  No match found for entry 1HG2ILE          73
  No match found for entry 2HG2ILE          73
  No match found for entry 3HG2ILE          73
  No match found for entry 1HD1ILE          73
  No match found for entry 2HD1ILE          73
  No match found for entry 3HD1ILE          73
  No match found for entry  H  SER          74
  No match found for entry  HA SER          74
  No match found for entry 1HB SER          74
  No match found for entry 2HB SER          74
  No match found for entry  HG SER          74
  No match found for entry  H  GLN          75
  No match found for entry  HA GLN          75
  No match found for entry 1HB GLN          75
  No match found for entry 2HB GLN          75
  No match found for entry 1HG GLN          75
  No match found for entry 2HG GLN          75
  No match found for entry 1HE2GLN          75
  No match found for entry 2HE2GLN          75
   
  No H/Q in entry =         627
  Start of MODEL          14
 Raw file had 628 H/Q atoms
   
  No H/Q in entry =         627