*HEADER   CALCIUM-BINDING PROTEIN                 04-AUG-95   1CDN    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CALBINDIN D9K;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: INTESTINAL CALCIUM-BINDING PROTEIN, ICBP, ICABP,  
*COMPND  5 CABP9K, S100D;                                             
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: INS(MET 1), P43G;                                
*COMPND  8 OTHER_DETAILS: BOVINE MINOR A FORM, CADMIUM-HALF-SATURATED,
*COMPND  9 CADMIUM ION IS BOUND IN C-TERMINAL SITE                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BOS TAURUS;                           
*SOURCE  3 ORGANISM_COMMON: BOVINE;                                   
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PICB1;                          
*SOURCE  6 EXPRESSION_SYSTEM_GENE: ICABP                              
*KEYWDS   EF-HAND                                                     
*EXPDTA   NMR, 24 STRUCTURES                                          
*AUTHOR   M.AKKE,S.FORSEN,W.J.CHAZIN                                  
*REVDAT  1   14-NOV-95 1CDN    0                                      


HEADER   CALCIUM-BINDING PROTEIN 
COMPND   CALBINDIN D9K (BOVINE MINOR A FORM, CADMIUM-HALF-SATURATED, 
COMPND  2 CADMIUM ION IS BOUND IN THE C-TERMINAL SITE)
COMPND  3 (INTESTINAL CALCIUM BINDING PROTEIN, ICBP, ICABP, CABP9K, 
COMPND  4 S100D) MUTANT WITH N-TERMINAL MET, PRO 43 REPLACED BY GLY 
COMPND  5 (INS(MET 0),P43G) (NMR, 24 STRUCTURES)            
SOURCE   CALBINDIN D9K: BOVINE (BOS TAURUS)   
SOURCE  2 EXPRESSION SYSTEM: (ESCHERICHIA COLI) 
SOURCE  3 PLASMID: PICB1    
SOURCE  4 GENE: ICABP         
EXPDTA    NMR 
AUTHOR   M.AKKE,W.J.CHAZIN 
REVDAT 
REMARK   2 
REMARK   2 HYDROGEN ATOMS IN THIS RESTRAINT 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 (CD2+)1 CALBINDIN D9K.  
REMARK   2
REMARK   3
REMARK   3 (CD2+)1 CALBINDIN D9K NMR RESTRAINTS USED IN STRUCTURE
REMARK   3 DETERMINATION. COMPLETE LIST OF NOE AND DIHEDRAL ANGLE 
REMARK   3 RESTRAINTS.
REMARK   3
REMARK   3 DIHEDRAL ANGLE RESTRAINTS--                                       
REMARK   3   DIHEDRAL ANGLE RESTRAINTS ARE DERIVED FROM EXPERIMENTALLY 
REMARK   3   MEASURED 3JHNA, 3JAB AND 3JNHB COUPLING CONSTANTS IN 
REMARK   3   ADDITION TO NOES INVOLVING NH, CA, AND, CB PROTONS.  
REMARK   3   CHI-2 DIHEDRAL ANGE RESTRAINTS WERE INFERRED BY COMPARISON
REMARK   3   OF THE EXPERIMENTAL AND THEORETICAL RELATIVE NOE 
REMARK   3   INTENSITIES FOR THE INTRA-RESIDUE HB-HD CROSS-PEAKS, AS
REMARK   3   DESCRIBED IN THE PAPER CITED IN THE JRNL RECORD OF THE
REMARK   3   COORDINATE FILE.
REMARK   3   IN TOTAL THERE ARE 40 PHI, 27 CHI1 AND 4 CHI2 CONSTRAINTS.
REMARK   3
REMARK   3      TABLE OF DIHEDRAL ANGLE RESTRAINT BOUNDS
REMARK   3   -------------------------------------------------------
REMARK   3        02  SER              0  < CHI1  <  120
REMARK   3        04  GLU            -90  <  PHI  <  -40
REMARK   3        05  GLU            -90  <  PHI  <  -40
REMARK   3        06  LEU            -90  <  PHI  <  -40
REMARK   3        06  LEU           -120  < CHI1  <    0
REMARK   3        06  LEU            120  < CHI2  < -120
REMARK   3        07  LYS            -90  <  PHI  <  -40
REMARK   3        09  ILE            -90  <  PHI  <  -40
REMARK   3        09  ILE           -120  < CHI1  <    0
REMARK   3        10  PHE            -90  <  PHI  <  -40
REMARK   3        10  PHE            120  < CHI1  < -120
REMARK   3        11  GLU            -90  <  PHI  <  -40
REMARK   3        12  LYS            -90  <  PHI  <  -40
REMARK   3        13  TYR           -160  <  PHI  <  -80
REMARK   3        13  TYR           -120  < CHI1  <    0
REMARK   3        19  ASP            120  < CHI1  < -120
REMARK   3        21  ASN           -160  <  PHI  <  -80
REMARK   3        21  ASN           -120  < CHI1  <    0
REMARK   3        22  GLN           -160  <  PHI  <  -80
REMARK   3        22  GLN            120  < CHI1  < -120
REMARK   3        23  LEU           -160  <  PHI  <  -80
REMARK   3        23  LEU           -120  < CHI1  <    0
REMARK   3        23  LEU            120  < CHI2  < -120
REMARK   3        24  SER              0  < CHI1  <  120
REMARK   3        25  LYS            -90  <  PHI  <  -40
REMARK   3        28  LEU            -90  <  PHI  <  -40
REMARK   3        29  LYS            -90  <  PHI  <  -40
REMARK   3        29  LYS            120  < CHI1  < -120
REMARK   3        30  LEU            -90  <  PHI  <  -40
REMARK   3        31  LEU            -90  <  PHI  <  -40
REMARK   3        32  LEU            -90  <  PHI  <  -40
REMARK   3        32  LEU           -120  < CHI1  <  120
REMARK   3        32  LEU            120  < CHI2  < -120
REMARK   3        24  SER           -160  <  PHI  <  -80
REMARK   3        33  GLN            -90  <  PHI  <  -40
REMARK   3        34  THR           -120  < CHI1  <    0
REMARK   3        35  GLU           -160  <  PHI  <  -80
REMARK   3        35  GLU           -120  < CHI1  <    0
REMARK   3        36  PHE           -160  <  PHI  <  -80
REMARK   3        36  PHE           -120  < CHI1  <    0
REMARK   3        38  SER            -90  <  PHI  <  -40
REMARK   3        39  LEU            -90  <  PHI  <  -40
REMARK   3        41  LYS           -120  < CHI1  <    0
REMARK   3        46  LEU            -90  <  PHI  <  -40
REMARK   3        47  ASP            -90  <  PHI  <  -40
REMARK   3        47  ASP           -120  < CHI1  <    0
REMARK   3        48  GLU            -90  <  PHI  <  -40
REMARK   3        50  PHE            -90  <  PHI  <  -40
REMARK   3        50  PHE            120  < CHI1  < -120
REMARK   3        51  GLU            -90  <  PHI  <  -40
REMARK   3        52  GLU            -90  <  PHI  <  -40
REMARK   3        53  LEU            120  < CHI2  < -120
REMARK   3        53  LEU           -120  < CHI1  <    0
REMARK   3        54  ASP            120  < CHI1  < -120
REMARK   3        55  LYS            -90  <  PHI  <  -40
REMARK   3        56  ASN              0  < CHI1  <  120
REMARK   3        58  ASP           -160  <  PHI  <  -80
REMARK   3        58  ASP              0  < CHI1  <  120
REMARK   3        60  GLU           -160  <  PHI  <  -80
REMARK   3        60  GLU           -240  < CHI1  <    0
REMARK   3        61  VAL            120  < CHI1  < -120
REMARK   3        62  SER           -160  <  PHI  <  -80
REMARK   3        63  PHE            120  < CHI1  < -120
REMARK   3        64  GLU            -90  <  PHI  <  -40
REMARK   3        66  PHE            -90  <  PHI  <  -40
REMARK   3        68  VAL            -90  <  PHI  <  -40
REMARK   3        68  VAL            120  < CHI1  < -120
REMARK   3        69  LEU           -160  <  PHI  <  -80
REMARK   3        70  VAL            -90  <  PHI  <  -40
REMARK   3        70  VAL            120  < CHI1  < -120
REMARK   3        71  LYS            -90  <  PHI  <  -40
REMARK   3
REMARK   3
REMARK   3 NOE DERIVED DISTANCE UPPER BOUND RESTRAINTS--
REMARK   3   THE COMPLETE SET OF DISTANCE UPPER-BOUNDS DERIVED FROM NOES
REMARK   3   FOR (CD2+)1 CALBINDIN D9K ARE GIVEN BELOW.  
REMARK   3   THESE ARE THE "RAW" CONSTRAINTS WITHOUT ANY CORRECTIONS 
REMARK   3   APPLIED TO BOUNDS INVOLVING NON-STEREO-SPECIFICALLY 
REMARK   3   ASSIGNED PROTONS.
REMARK   3   THE BOUNDS ARE DERIVED DIFFERENTLY FOR *DISGEO* AND *AMBER 
REMARK   3   CALCULATIONS, DEPENDING ON THE TREATMENT OF NON-STEREO-
REMARK   3   SPECIFICALLY ASSIGNED PROTONS.
REMARK   3
REMARK   3   RESTRAINTS EXACTLY AS WOULD BE USED FOR *DISGEO* AND
REMARK   3   *AMBER* CALCULATIONS MAY BE OBTAINED VIA EMAIL FROM THE
REMARK   3   AUTHORS: 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 EITHER PROTON OR
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 RESTRAINTS (CHEMICAL-SHIFT
REMARK   3     DEGENERATE VAL AND LEU METHYLS, OR WHEN ONLY ONE OF
REMARK   3     TWO NON-STEREO-ASSIGNED METHYLS EXHIBITS AN NOE),
REMARK   3     ARE REFERRED TO COMMON CB OR CG ATOMS, RESPECTIVELY.
REMARK   3
REMARK   3     PSEUDOATOM NAMES ARE USED FOR DIASTEREOTOPIC PROTONS,
REMARK   3     FOR WHICH STEREOSPECIFIC ASSIGNMENTS COULD NOT BE MADE,
REMARK   3     AS INDICATED BY A LEADING "Q".  METHYL AND METHYLENE
REMARK   3     GROUP PROTONS ARE INDICATED BY "M" AND "H", RESPECTIVELY.
REMARK   3
REMARK   3   THE FOLLOWING LIST CONTAINS
REMARK   3     203 INTRARESIDUE NOES
REMARK   3     237 SEQUENTIAL NOES
REMARK   3     240 MEDIUM-RANGE NOES
REMARK   3     265 LONG-RANGE NOES
REMARK   3     945 TOTAL NOES
REMARK   3
REMARK   3   TABLE OF DISTANCE RESTRAINT UPPER BOUNDS (IN ANGSTROMS)
REMARK   3          ATOM 1          ATOM 2      DISTBND
REMARK   3        -----------------------------------------------
REMARK   3       01 LYS  HA      01 LYS QPD       3.50
REMARK   3       01 LYS  HA      05 GLU QPB       3.50
REMARK   3       02 SER  HN      01 LYS  HA       3.00
REMARK   3       02 SER  HN      01 LYS QPB       3.00
REMARK   3       02 SER  HN      01 LYS QPD       6.00
REMARK   3       02 SER  HN      02 SER HB3       3.00
REMARK   3       02 SER HB2      03 PRO QPD       3.00
REMARK   3       02 SER  HN      03 PRO QPD       7.00
REMARK   3       02 SER  HN      05 GLU  HN       6.00
REMARK   3       02 SER  HN      05 GLU QPB       3.50
REMARK   3       02 SER  HN      05 GLU QPG       7.00
REMARK   3       03 PRO  HA      03 PRO QPG       3.00
REMARK   3       03 PRO  HA      04 GLU QPB       5.00
REMARK   3       03 PRO  HA      06 LEU HB2       3.00
REMARK   3       03 PRO  HA      06 LEU HB3       4.50
REMARK   3       03 PRO  HA      06 LEU MD2       3.50
REMARK   3       04 GLU  HN      02 SER HB2       4.50
REMARK   3       04 GLU  HN      03 PRO HB2       3.00
REMARK   3       04 GLU  HN      03 PRO HB3       3.50
REMARK   3       04 GLU  HN      03 PRO QPD       3.50
REMARK   3       04 GLU  HA      04 GLU QPG       3.00
REMARK   3       04 GLU  HN      04 GLU QPB       3.00
REMARK   3       04 GLU  HN      05 GLU  HN       3.00
REMARK   3       04 GLU  HA      07 LYS QPB       3.00
REMARK   3       05 GLU  HN      01 LYS QPD       7.00
REMARK   3       05 GLU  HN      04 GLU  HA       3.50
REMARK   3       05 GLU  HN      04 GLU QPB       3.00
REMARK   3       05 GLU  HN      05 GLU QPB       3.00
REMARK   3       05 GLU  HN      06 LEU HB2       4.50
REMARK   3       05 GLU  HN      06 LEU  HG       4.50
REMARK   3       06 LEU  HN      01 LYS QPB       4.50
REMARK   3       06 LEU  HN      01 LYS QPD       6.00
REMARK   3       06 LEU  HN      03 PRO  HA       4.50
REMARK   3       06 LEU  HN      04 GLU  HA       4.50
REMARK   3       06 LEU  HN      05 GLU  HA       3.50
REMARK   3       06 LEU  HN      05 GLU  HN       3.00
REMARK   3       06 LEU  HN      05 GLU QPB       3.00
REMARK   3       06 LEU  HA      06 LEU  HG       3.50
REMARK   3       06 LEU  HA      06 LEU MD1       3.50
REMARK   3       06 LEU HB2      06 LEU MD2       3.50
REMARK   3       06 LEU HB3      06 LEU MD1       3.00
REMARK   3       06 LEU HB3      06 LEU MD2       6.00
REMARK   3       06 LEU  HN      06 LEU HB2       2.50
REMARK   3       06 LEU  HN      06 LEU HB3       3.50
REMARK   3       06 LEU  HN      06 LEU  HG       3.00
REMARK   3       06 LEU  HN      07 LYS  HN       4.50
REMARK   3       06 LEU  HA      09 ILE QPG       5.00
REMARK   3       07 LYS  HN      03 PRO  HA       7.00
REMARK   3       07 LYS  HN      04 GLU  HA       4.50
REMARK   3       07 LYS  HN      05 GLU  HA       7.00
REMARK   3       07 LYS  HN      06 LEU HB2       3.00
REMARK   3       07 LYS  HN      06 LEU HB3       3.50
REMARK   3       07 LYS  HN      06 LEU MD1       6.00
REMARK   3       07 LYS  HN      06 LEU MD2       6.00
REMARK   3       07 LYS  HN      07 LYS QPB       2.50
REMARK   3       07 LYS  HN      08 GLY  HN       3.50
REMARK   3       07 LYS  HA      10 PHE HB2       3.00
REMARK   3       07 LYS  HN      63 PHE  HZ       6.00
REMARK   3       08 GLY  HN      04 GLU  HA       4.50
REMARK   3       08 GLY  HN      04 GLU QPB       6.00
REMARK   3       08 GLY  HN      05 GLU  HA       3.50
REMARK   3       08 GLY  HN      06 LEU  HA       7.00
REMARK   3       08 GLY  HN      06 LEU HB2       6.00
REMARK   3       08 GLY  HN      07 LYS  HA       3.50
REMARK   3       08 GLY  HN      07 LYS QPB       3.00
REMARK   3       08 GLY  HN      07 LYS QPG       4.50
REMARK   3       08 GLY  HN      09 ILE  HB       6.00
REMARK   3       08 GLY  HN      09 ILE QPG       4.50
REMARK   3       08 GLY QPA      11 GLU QPB       3.00
REMARK   3       09 ILE  HN      06 LEU  HA       4.50
REMARK   3       09 ILE  HN      08 GLY  HN       3.00
REMARK   3       09 ILE  HA      09 ILE  MG       3.00
REMARK   3       09 ILE  HA      09 ILE QPG       2.50
REMARK   3       09 ILE  HB      09 ILE  MD       3.50
REMARK   3       09 ILE  HN      09 ILE  HB       2.50
REMARK   3       09 ILE  HN      09 ILE QPG       2.50
REMARK   3       09 ILE  MG      31 LEU QQD       6.00
REMARK   3       10 PHE  HN      06 LEU  HA       7.00
REMARK   3       10 PHE  CG      07 LYS  HA       5.00
REMARK   3       10 PHE  CG      07 LYS QPE       4.50
REMARK   3       10 PHE  CZ      07 LYS QPE       6.00
REMARK   3       10 PHE  HN      07 LYS  HA       3.50
REMARK   3       10 PHE  HN      09 ILE  HB       2.50
REMARK   3       10 PHE  HN      09 ILE  HN       3.50
REMARK   3       10 PHE  HN      09 ILE  MD       6.00
REMARK   3       10 PHE  HN      09 ILE  MG       4.50
REMARK   3       10 PHE  HN      09 ILE QPG       4.50
REMARK   3       10 PHE  HN      10 PHE HB2       3.00
REMARK   3       10 PHE  HN      10 PHE HB3       2.50
REMARK   3       10 PHE  CG      11 GLU  HA       3.00
REMARK   3       10 PHE  CG      11 GLU QPB       7.00
REMARK   3       10 PHE  CG      11 GLU QPG       3.00
REMARK   3       10 PHE  CZ      11 GLU  HA       6.00
REMARK   3       10 PHE  HN      11 GLU QPG       6.00
REMARK   3       10 PHE  HN      12 LYS  HN       6.00
REMARK   3       10 PHE  CZ      14 ALA  MB       3.50
REMARK   3       10 PHE  HZ      14 ALA  MB       6.00
REMARK   3       10 PHE  CZ      21 ASN  HA       3.00
REMARK   3       10 PHE  CZ      21 ASN HB2       7.00
REMARK   3       10 PHE  HZ      22 GLN  HA       3.00
REMARK   3       10 PHE  HZ      22 GLN QPG       7.00
REMARK   3       10 PHE  CG      23 LEU  HG       6.00
REMARK   3       10 PHE  CG      23 LEU MD1       3.50
REMARK   3       10 PHE  CG      23 LEU MD2       6.00
REMARK   3       10 PHE  CZ      23 LEU  HG       3.00
REMARK   3       10 PHE  CZ      23 LEU MD1       3.50
REMARK   3       10 PHE  CZ      23 LEU MD2       6.00
REMARK   3       10 PHE  HN      23 LEU MD1       6.00
REMARK   3       10 PHE  HN      23 LEU MD2       7.00
REMARK   3       10 PHE  HZ      23 LEU  HG       3.50
REMARK   3       10 PHE  HZ      23 LEU MD1       6.00
REMARK   3       10 PHE  HZ      23 LEU MD2       6.00
REMARK   3       10 PHE  CG      31 LEU QQD       6.00
REMARK   3       10 PHE  HA      31 LEU QQD       3.50
REMARK   3       10 PHE  HN      31 LEU QQD       6.00
REMARK   3       10 PHE  CG      61 VAL MG1       7.00
REMARK   3       10 PHE  CZ      61 VAL  HB       4.50
REMARK   3       10 PHE  CZ      61 VAL MG1       4.50
REMARK   3       10 PHE  HZ      61 VAL  HB       7.00
REMARK   3       10 PHE  HZ      61 VAL MG1       6.00
REMARK   3       10 PHE  HZ      62 SER  HA       4.50
REMARK   3       10 PHE  CZ      63 PHE  HA       3.00
REMARK   3       10 PHE  CZ      63 PHE HB2       4.50
REMARK   3       10 PHE  CZ      63 PHE HB3       6.00
REMARK   3       10 PHE  HN      63 PHE  CG       7.00
REMARK   3       10 PHE  HN      63 PHE  CZ       6.00
REMARK   3       10 PHE  HZ      63 PHE  HA       4.50
REMARK   3       10 PHE  HZ      63 PHE HB2       4.50
REMARK   3       10 PHE  CG      66 PHE QPB       4.50
REMARK   3       10 PHE  CZ      66 PHE  HA       7.00
REMARK   3       10 PHE  CZ      66 PHE QPB       3.00
REMARK   3       10 PHE  HN      66 PHE  CZ       6.00
REMARK   3       10 PHE  HN      66 PHE  HZ       6.00
REMARK   3       11 GLU  HN      07 LYS  HA       4.50
REMARK   3       11 GLU  HN      08 GLY QPA       4.50
REMARK   3       11 GLU  HN      09 ILE  HA       4.50
REMARK   3       11 GLU  HN      09 ILE  HN       7.00
REMARK   3       11 GLU  HN      10 PHE HB2       4.50
REMARK   3       11 GLU  HN      10 PHE HB3       3.00
REMARK   3       11 GLU  HN      10 PHE  HN       3.50
REMARK   3       11 GLU  HN      11 GLU QPB       2.50
REMARK   3       11 GLU  HN      11 GLU QPG       3.00
REMARK   3       11 GLU  HN      12 LYS  HN       3.00
REMARK   3       11 GLU  HN      12 LYS QPB       7.00
REMARK   3       11 GLU  HN      13 TYR  HN       7.00
REMARK   3       11 GLU  HA      14 ALA  MB       3.50
REMARK   3       11 GLU  HN      14 ALA  MB       6.00
REMARK   3       11 GLU  HN      63 PHE  CG       7.00
REMARK   3       12 LYS  HN      11 GLU QPB       3.50
REMARK   3       12 LYS  HA      12 LYS QPG       3.00
REMARK   3       12 LYS  HN      12 LYS QPB       2.50
REMARK   3       12 LYS  HN      12 LYS QPD       6.00
REMARK   3       12 LYS  HN      13 TYR  HN       3.50
REMARK   3       12 LYS  HA      15 ALA  MB       4.50
REMARK   3       13 TYR  CG      09 ILE  HA       3.50
REMARK   3       13 TYR  CG      09 ILE  HB       6.00
REMARK   3       13 TYR  CG      09 ILE  MD       4.50
REMARK   3       13 TYR  CG      09 ILE  MG       3.50
REMARK   3       13 TYR  CZ      09 ILE  HA       3.50
REMARK   3       13 TYR  CZ      09 ILE  MD       4.50
REMARK   3       13 TYR  CZ      09 ILE  MG       3.00
REMARK   3       13 TYR  CG      10 PHE  HA       4.50
REMARK   3       13 TYR  CG      11 GLU  HA       7.00
REMARK   3       13 TYR  CG      12 LYS QPB       3.00
REMARK   3       13 TYR  CG      12 LYS QPE       6.00
REMARK   3       13 TYR  CG      12 LYS QPG       3.00
REMARK   3       13 TYR  CZ      12 LYS QPD       4.50
REMARK   3       13 TYR  CZ      12 LYS QPE       4.50
REMARK   3       13 TYR  CZ      12 LYS QPG       3.50
REMARK   3       13 TYR  HN      12 LYS QPB       3.00
REMARK   3       13 TYR  CG      13 TYR  HN       3.00
REMARK   3       13 TYR  CZ      13 TYR  HA       4.50
REMARK   3       13 TYR  HN      13 TYR HB2       3.00
REMARK   3       13 TYR  CG      14 ALA  HA       6.00
REMARK   3       13 TYR  CG      16 LYS QPD       4.50
REMARK   3       13 TYR  CG      16 LYS QPE       6.00
REMARK   3       13 TYR  CG      23 LEU MD1       6.00
REMARK   3       13 TYR  CG      23 LEU MD2       6.00
REMARK   3       13 TYR HB2      23 LEU MD2       4.50
REMARK   3       13 TYR HB3      23 LEU MD2       4.50
REMARK   3       13 TYR  HN      23 LEU MD2       6.00
REMARK   3       13 TYR  CG      27 GLU QPB       4.50
REMARK   3       13 TYR HB3      27 GLU QPB       3.50
REMARK   3       13 TYR  CG      30 LEU QPB       3.00
REMARK   3       13 TYR  CG      30 LEU QQD       6.00
REMARK   3       13 TYR  CZ      30 LEU  HA       6.00
REMARK   3       13 TYR  CZ      30 LEU QPB       3.00
REMARK   3       13 TYR  CZ      30 LEU QQD       6.00
REMARK   3       13 TYR  CG      31 LEU  HA       4.50
REMARK   3       13 TYR  CG      31 LEU  HG       3.00
REMARK   3       13 TYR  CG      31 LEU QPB       3.50
REMARK   3       13 TYR  CG      31 LEU QQD       3.50
REMARK   3       13 TYR  CZ      31 LEU  HA       3.50
REMARK   3       13 TYR  CZ      31 LEU  HG       3.50
REMARK   3       13 TYR  CZ      31 LEU QPB       6.00
REMARK   3       13 TYR  CZ      31 LEU QQD       7.00
REMARK   3       13 TYR HB2      31 LEU QQD       4.50
REMARK   3       13 TYR HB3      31 LEU QPB       4.50
REMARK   3       13 TYR HB3      31 LEU QQD       5.00
REMARK   3       13 TYR  CZ      34 THR  HB       4.50
REMARK   3       13 TYR  CZ      34 THR  MG       6.00
REMARK   3       13 TYR  CZ      35 GLU HB2       4.50
REMARK   3       13 TYR  CZ      35 GLU QPG       3.00
REMARK   3       14 ALA  HN      10 PHE  HA       6.00
REMARK   3       14 ALA  HN      11 GLU  HA       4.50
REMARK   3       14 ALA  MB      11 GLU  HA       3.50
REMARK   3       14 ALA  HN      13 TYR  HA       3.50
REMARK   3       14 ALA  HN      13 TYR HB2       3.00
REMARK   3       14 ALA  HN      13 TYR HB3       4.50
REMARK   3       14 ALA  HN      13 TYR  HN       3.00
REMARK   3       14 ALA  HN      14 ALA  MB       3.00
REMARK   3       14 ALA  HN      15 ALA  HN       3.00
REMARK   3       14 ALA  HN      15 ALA  MB       7.00
REMARK   3       14 ALA  HN      16 LYS QPE       6.00
REMARK   3       14 ALA  HA      23 LEU MD2       3.00
REMARK   3       14 ALA  HN      23 LEU MD1       4.50
REMARK   3       14 ALA  HN      23 LEU MD2       4.50
REMARK   3       15 ALA  HN      14 ALA  HA       3.50
REMARK   3       15 ALA  HN      14 ALA  MB       3.50
REMARK   3       15 ALA  HN      15 ALA  MB       3.00
REMARK   3       16 LYS  HN      13 TYR  HA       4.50
REMARK   3       16 LYS  HN      14 ALA  HA       6.00
REMARK   3       16 LYS  HA      15 ALA  MB       3.50
REMARK   3       16 LYS  HN      16 LYS QPB       2.50
REMARK   3       16 LYS  HN      16 LYS QPD       6.00
REMARK   3       16 LYS  HN      16 LYS QPG       3.00
REMARK   3       16 LYS  HN      27 GLU QPG       4.50
REMARK   3       18 GLY  HN      15 ALA  HA       4.50
REMARK   3       18 GLY  HN      17 GLU  HA       3.50
REMARK   3       18 GLY  HN      17 GLU QPB       3.00
REMARK   3       18 GLY  HN      17 GLU QPG       4.50
REMARK   3       19 ASP  HN      19 ASP HB2       3.00
REMARK   3       19 ASP  HN      19 ASP HB3       3.00
REMARK   3       20 PRO  HA      14 ALA  MB       4.50
REMARK   3       20 PRO  HA      15 ALA  HA       3.00
REMARK   3       20 PRO  HA      15 ALA  MB       5.00
REMARK   3       21 ASN  HN      14 ALA  MB       6.00
REMARK   3       21 ASN  HN      20 PRO HB2       3.50
REMARK   3       21 ASN  HN      20 PRO QPD       4.50
REMARK   3       21 ASN  HN      20 PRO QPG       3.50
REMARK   3       21 ASN  HN      21 ASN HB2       3.00
REMARK   3       21 ASN  HN      21 ASN HB3       3.50
REMARK   3       21 ASN  HN      21 ASN HND1      6.00
REMARK   3       21 ASN  HN      21 ASN HND2      6.00
REMARK   3       21 ASN HND1     21 ASN HB2       4.50
REMARK   3       21 ASN HND1     21 ASN HB3       5.00
REMARK   3       21 ASN HND2     21 ASN HB2       3.50
REMARK   3       21 ASN HND2     21 ASN HB3       4.50
REMARK   3       21 ASN  HN      22 GLN HB2       6.00
REMARK   3       21 ASN  HN      22 GLN HB3       4.50
REMARK   3       21 ASN  HN      22 GLN  HN       3.00
REMARK   3       22 GLN  HN      14 ALA  MB       4.50
REMARK   3       22 GLN  HN      21 ASN HB2       3.50
REMARK   3       22 GLN  HA      22 GLN QPG       2.50
REMARK   3       22 GLN  HN      22 GLN HB2       3.50
REMARK   3       22 GLN  HN      22 GLN HB3       3.00
REMARK   3       22 GLN  HN      22 GLN QPG       3.50
REMARK   3       23 LEU  HN      10 PHE  CZ       4.50
REMARK   3       23 LEU  HN      10 PHE  HZ       3.50
REMARK   3       23 LEU MD2      10 PHE  CZ       6.00
REMARK   3       23 LEU MD2      10 PHE  HA       6.00
REMARK   3       23 LEU MD1      13 TYR HB3       4.50
REMARK   3       23 LEU MD2      13 TYR HB3       4.50
REMARK   3       23 LEU MD2      14 ALA  HA       3.00
REMARK   3       23 LEU  HN      22 GLN  HA       2.50
REMARK   3       23 LEU  HN      22 GLN HB3       4.50
REMARK   3       23 LEU  HN      22 GLN QPG       3.00
REMARK   3       23 LEU  HA      23 LEU  HG       3.50
REMARK   3       23 LEU  HA      23 LEU MD1       3.50
REMARK   3       23 LEU  HA      23 LEU MD2       3.50
REMARK   3       23 LEU HB2      23 LEU MD1       4.50
REMARK   3       23 LEU HB2      23 LEU MD2       7.00
REMARK   3       23 LEU HB3      23 LEU MD1       6.00
REMARK   3       23 LEU HB3      23 LEU MD2       6.00
REMARK   3       23 LEU  HN      23 LEU HB2       3.00
REMARK   3       23 LEU  HN      23 LEU HB3       3.50
REMARK   3       23 LEU  HN      23 LEU  HG       3.00
REMARK   3       23 LEU MD2      23 LEU HB2       4.50
REMARK   3       23 LEU MD2      23 LEU HB3       3.50
REMARK   3       23 LEU  HA      27 GLU QPB       3.50
REMARK   3       23 LEU MD2      27 GLU QPB       3.50
REMARK   3       23 LEU MD1      28 LEU  HA       4.50
REMARK   3       23 LEU  HN      60 GLU  HA       6.00
REMARK   3       23 LEU  HN      61 VAL  HB       3.50
REMARK   3       23 LEU  HN      61 VAL MG1       6.00
REMARK   3       23 LEU  HN      61 VAL MG2       6.00
REMARK   3       23 LEU MD1      66 PHE QPB       6.00
REMARK   3       24 SER  HN      23 LEU  HA       3.00
REMARK   3       24 SER  HN      27 GLU QPB       3.00
REMARK   3       25 LYS  HN      24 SER  HA       3.00
REMARK   3       25 LYS  HN      24 SER QPB       3.00
REMARK   3       25 LYS  HA      25 LYS QPG       2.50
REMARK   3       25 LYS  HN      25 LYS QPB       3.00
REMARK   3       25 LYS  HN      25 LYS QPG       2.50
REMARK   3       25 LYS QPG      25 LYS  HA       2.50
REMARK   3       25 LYS  HN      26 GLU  HN       3.50
REMARK   3       25 LYS  HN      27 GLU  HN       7.00
REMARK   3       25 LYS  HA      28 LEU QQD       7.00
REMARK   3       25 LYS  HN      50 PHE  CG       4.50
REMARK   3       25 LYS  HN      50 PHE  CZ       4.50
REMARK   3       25 LYS  HN      50 PHE  HZ       4.50
REMARK   3       25 LYS  HN      60 GLU  HA       6.00
REMARK   3       26 GLU  HN      24 SER QPB       4.50
REMARK   3       26 GLU  HN      25 LYS QPB       3.00
REMARK   3       26 GLU  HA      26 GLU QPG       3.00
REMARK   3       26 GLU  HN      26 GLU QPB       3.00
REMARK   3       26 GLU  HN      26 GLU QPG       3.00
REMARK   3       26 GLU  HN      27 GLU  HN       3.50
REMARK   3       26 GLU  HA      29 LYS HB3       3.00
REMARK   3       27 GLU  HN      23 LEU MD2       7.00
REMARK   3       27 GLU QPB      23 LEU MD2       4.50
REMARK   3       27 GLU QPG      23 LEU MD2       6.00
REMARK   3       27 GLU  HN      25 LYS  HA       6.00
REMARK   3       27 GLU  HN      25 LYS QPB       7.00
REMARK   3       27 GLU  HN      26 GLU  HA       3.50
REMARK   3       27 GLU  HN      26 GLU QPB       3.00
REMARK   3       27 GLU  HN      26 GLU QPG       4.50
REMARK   3       27 GLU  HA      27 GLU QPG       2.50
REMARK   3       27 GLU  HN      27 GLU QPB       3.00
REMARK   3       27 GLU  HN      27 GLU QPG       3.00
REMARK   3       27 GLU  HN      30 LEU QQD       6.00
REMARK   3       28 LEU  HA      23 LEU MD1       3.50
REMARK   3       28 LEU  HA      23 LEU MD2       4.50
REMARK   3       28 LEU  HN      23 LEU HB2       4.50
REMARK   3       28 LEU  HN      23 LEU HB3       3.50
REMARK   3       28 LEU  HN      23 LEU  HG       6.00
REMARK   3       28 LEU  HN      23 LEU MD1       6.00
REMARK   3       28 LEU  HN      23 LEU MD2       6.00
REMARK   3       28 LEU QQD      23 LEU MD1       6.00
REMARK   3       28 LEU  HN      25 LYS  HA       3.50
REMARK   3       28 LEU QQD      25 LYS  HA       6.00
REMARK   3       28 LEU  HN      26 GLU  HA       6.00
REMARK   3       28 LEU  HN      27 GLU  HN       3.00
REMARK   3       28 LEU  HN      27 GLU QPB       3.00
REMARK   3       28 LEU  HA      28 LEU  HG       3.00
REMARK   3       28 LEU  HN      28 LEU  HG       2.50
REMARK   3       28 LEU  HN      28 LEU QPB       2.50
REMARK   3       28 LEU QPB      28 LEU QQD       3.50
REMARK   3       28 LEU QQD      28 LEU  HA       3.00
REMARK   3       28 LEU  HN      29 LYS  HA       7.00
REMARK   3       28 LEU  HN      29 LYS  HN       3.00
REMARK   3       28 LEU  HA      31 LEU QPB       3.00
REMARK   3       28 LEU  HA      31 LEU QQD       6.00
REMARK   3       28 LEU  HN      31 LEU  HN       7.00
REMARK   3       28 LEU  HA      32 LEU QQD       6.00
REMARK   3       28 LEU QQD      32 LEU QQD       6.00
REMARK   3       28 LEU  HA      46 LEU QQD       6.00
REMARK   3       28 LEU  HN      46 LEU QQD       6.00
REMARK   3       28 LEU  HN      50 PHE  CG       6.00
REMARK   3       28 LEU QQD      50 PHE  HA       3.50
REMARK   3       28 LEU QQD      50 PHE HB2       4.50
REMARK   3       28 LEU QQD      53 LEU MD1       4.50
REMARK   3       28 LEU QQD      61 VAL MG2       6.00
REMARK   3       28 LEU QQD      69 LEU QQD       6.00
REMARK   3       29 LYS  HN      23 LEU MD1       6.00
REMARK   3       29 LYS  HN      23 LEU MD2       6.00
REMARK   3       29 LYS  HN      25 LYS  HA       4.50
REMARK   3       29 LYS  HN      25 LYS QPG       6.00
REMARK   3       29 LYS  HN      26 GLU  HA       3.00
REMARK   3       29 LYS  HN      27 GLU  HA       4.50
REMARK   3       29 LYS  HN      27 GLU  HN       7.00
REMARK   3       29 LYS  HN      28 LEU  HA       3.50
REMARK   3       29 LYS  HN      28 LEU  HG       4.50
REMARK   3       29 LYS  HN      28 LEU QPB       3.00
REMARK   3       29 LYS  HA      29 LYS QPG       2.50
REMARK   3       29 LYS  HN      29 LYS HB2       2.50
REMARK   3       29 LYS  HN      29 LYS HB3       2.50
REMARK   3       29 LYS  HN      29 LYS QPD       4.50
REMARK   3       29 LYS  HN      29 LYS QPG       3.50
REMARK   3       29 LYS  HN      30 LEU  HN       3.50
REMARK   3       29 LYS  HA      32 LEU QPB       3.00
REMARK   3       29 LYS  HA      32 LEU QQD       3.50
REMARK   3       29 LYS  HA      46 LEU QQD       4.50
REMARK   3       29 LYS HB2      46 LEU QQD       4.50
REMARK   3       29 LYS  HN      46 LEU QQD       6.00
REMARK   3       30 LEU  HN      26 GLU  HA       4.50
REMARK   3       30 LEU  HN      28 LEU QQD       6.00
REMARK   3       30 LEU  HN      29 LYS HB2       3.50
REMARK   3       30 LEU  HN      29 LYS HB3       3.00
REMARK   3       30 LEU  HN      29 LYS QPD       6.00
REMARK   3       30 LEU  HN      29 LYS QPG       4.50
REMARK   3       30 LEU  HN      30 LEU QPB       2.50
REMARK   3       30 LEU QPB      30 LEU QQD       3.50
REMARK   3       30 LEU  HN      31 LEU QPB       6.00
REMARK   3       30 LEU  HN      32 LEU QQD       6.00
REMARK   3       30 LEU  HA      33 GLN QPB       3.00
REMARK   3       31 LEU QQD      10 PHE  HA       3.50
REMARK   3       31 LEU  HN      13 TYR  CG       6.00
REMARK   3       31 LEU  HN      13 TYR  CZ       6.00
REMARK   3       31 LEU  HN      13 TYR HB3       6.00
REMARK   3       31 LEU  HN      23 LEU MD1       6.00
REMARK   3       31 LEU  HN      23 LEU MD2       6.00
REMARK   3       31 LEU  HN      27 GLU  HA       4.50
REMARK   3       31 LEU  HN      28 LEU  HA       3.50
REMARK   3       31 LEU  HN      29 LYS  HA       6.00
REMARK   3       31 LEU  HN      30 LEU  HA       3.50
REMARK   3       31 LEU  HN      30 LEU  HN       3.00
REMARK   3       31 LEU  HN      30 LEU QPB       3.50
REMARK   3       31 LEU  HA      31 LEU  HG       3.00
REMARK   3       31 LEU  HN      31 LEU  HG       4.50
REMARK   3       31 LEU  HN      31 LEU QPB       2.50
REMARK   3       31 LEU QPB      31 LEU QQD       3.00
REMARK   3       31 LEU  HN      32 LEU  HG       6.00
REMARK   3       32 LEU  HN      23 LEU MD1       7.00
REMARK   3       32 LEU  HN      28 LEU  HA       3.50
REMARK   3       32 LEU  HN      28 LEU QQD       6.00
REMARK   3       32 LEU  HN      29 LYS  HA       3.50
REMARK   3       32 LEU  HN      30 LEU  HA       4.50
REMARK   3       32 LEU  HN      30 LEU  HN       7.00
REMARK   3       32 LEU  HA      31 LEU QQD       3.00
REMARK   3       32 LEU  HN      31 LEU  HA       3.50
REMARK   3       32 LEU  HN      31 LEU  HG       4.50
REMARK   3       32 LEU  HN      31 LEU  HN       3.00
REMARK   3       32 LEU  HN      31 LEU QPB       2.50
REMARK   3       32 LEU  HN      32 LEU  HG       2.50
REMARK   3       32 LEU  HN      32 LEU QPB       2.50
REMARK   3       32 LEU QPB      32 LEU QQD       3.50
REMARK   3       32 LEU  HN      33 GLN  HN       3.50
REMARK   3       32 LEU  HN      34 THR  HN       7.00
REMARK   3       32 LEU  HN      36 PHE  CG       7.00
REMARK   3       32 LEU QQD      46 LEU QQD       6.00
REMARK   3       33 GLN  HN      29 LYS  HA       4.50
REMARK   3       33 GLN HNE1     29 LYS QPD       7.00
REMARK   3       33 GLN HNE1     29 LYS QPG       7.00
REMARK   3       33 GLN  HN      30 LEU  HA       3.50
REMARK   3       33 GLN  HN      30 LEU QQD       7.00
REMARK   3       33 GLN HNE1     30 LEU  HA       7.00
REMARK   3       33 GLN HNE1     30 LEU QQD       7.00
REMARK   3       33 GLN HNE2     30 LEU  HA       7.00
REMARK   3       33 GLN  HN      32 LEU QPB       3.00
REMARK   3       33 GLN HNE1     32 LEU QQD       7.00
REMARK   3       33 GLN  HN      33 GLN QPB       2.50
REMARK   3       33 GLN  HN      33 GLN QPG       3.00
REMARK   3       33 GLN HNE1     33 GLN QPB       7.00
REMARK   3       33 GLN HNE1     33 GLN QPG       6.00
REMARK   3       33 GLN HNE2     33 GLN QPB       4.50
REMARK   3       33 GLN HNE2     33 GLN QPG       3.50
REMARK   3       33 GLN  HN      34 THR  HB       7.00
REMARK   3       33 GLN  HN      34 THR  HN       3.50
REMARK   3       33 GLN  HN      40 LEU QQD       6.00
REMARK   3       33 GLN HNE2     40 LEU QQD       6.00
REMARK   3       34 THR  HN      30 LEU QQD       6.00
REMARK   3       34 THR  HN      31 LEU  HA       4.50
REMARK   3       34 THR  HN      33 GLN  HA       3.50
REMARK   3       34 THR  HN      33 GLN QPB       3.00
REMARK   3       34 THR  HN      33 GLN QPG       4.50
REMARK   3       34 THR  HA      34 THR  MG       3.00
REMARK   3       34 THR  HN      34 THR  HB       3.00
REMARK   3       34 THR  MG      34 THR  HA       3.00
REMARK   3       34 THR  HN      40 LEU QQD       6.00
REMARK   3       35 GLU  HN      09 ILE  MG       6.00
REMARK   3       35 GLU QPG      09 ILE QPG       3.50
REMARK   3       35 GLU  HN      31 LEU  HA       6.00
REMARK   3       35 GLU  HN      31 LEU QQD       6.00
REMARK   3       35 GLU  HN      32 LEU  HA       4.50
REMARK   3       35 GLU  HN      34 THR  HB       3.00
REMARK   3       35 GLU  HN      34 THR  HN       3.00
REMARK   3       35 GLU  HN      35 GLU HB2       3.00
REMARK   3       35 GLU  HN      35 GLU HB3       3.50
REMARK   3       35 GLU  HN      35 GLU QPG       3.00
REMARK   3       35 GLU  HN      36 PHE  CG       7.00
REMARK   3       35 GLU  HN      36 PHE HB2       7.00
REMARK   3       35 GLU  HN      36 PHE HB3       6.00
REMARK   3       35 GLU  HN      36 PHE  HN       3.00
REMARK   3       35 GLU  HN      37 PRO QPD       6.00
REMARK   3       36 PHE  CZ      01 LYS QPE       5.00
REMARK   3       36 PHE  CZ      06 LEU MD1       3.50
REMARK   3       36 PHE  CZ      09 ILE  MG       6.00
REMARK   3       36 PHE  CG      31 LEU QQD       4.50
REMARK   3       36 PHE  HN      31 LEU QQD       6.00
REMARK   3       36 PHE  CG      32 LEU  HA       3.00
REMARK   3       36 PHE  CZ      32 LEU QQD       6.00
REMARK   3       36 PHE HB2      32 LEU QQD       3.50
REMARK   3       36 PHE HB3      32 LEU QQD       4.50
REMARK   3       36 PHE  HN      32 LEU  HA       3.50
REMARK   3       36 PHE  HN      32 LEU QQD       7.00
REMARK   3       36 PHE  HN      33 GLN  HA       4.50
REMARK   3       36 PHE  HN      34 THR  HA       6.00
REMARK   3       36 PHE  CG      35 GLU HB3       3.50
REMARK   3       36 PHE  HN      35 GLU  HA       3.50
REMARK   3       36 PHE  HN      35 GLU HB2       3.50
REMARK   3       36 PHE  HN      35 GLU HB3       4.50
REMARK   3       36 PHE  HN      36 PHE HB2       3.00
REMARK   3       36 PHE  CG      37 PRO QPD       5.00
REMARK   3       36 PHE  HA      37 PRO QPD       2.50
REMARK   3       36 PHE  HN      37 PRO QPD       3.00
REMARK   3       36 PHE  CG      39 LEU  HG       7.00
REMARK   3       36 PHE  CG      39 LEU QQD       6.00
REMARK   3       36 PHE  HA      39 LEU QQD       6.00
REMARK   3       36 PHE HB2      39 LEU QPB       3.50
REMARK   3       36 PHE HB2      39 LEU QQD       6.00
REMARK   3       36 PHE HB3      39 LEU  HG       3.50
REMARK   3       36 PHE HB3      39 LEU QPB       3.00
REMARK   3       36 PHE HB3      39 LEU QQD       4.50
REMARK   3       36 PHE  CG      69 LEU QQD       4.50
REMARK   3       36 PHE  CG      73 ILE  MD       6.00
REMARK   3       36 PHE  CG      73 ILE  MG       4.50
REMARK   3       36 PHE  CZ      73 ILE  MD       6.00
REMARK   3       36 PHE  HZ      73 ILE  MD       6.00
REMARK   3       37 PRO  HA      40 LEU QQD       3.50
REMARK   3       38 SER  HN      36 PHE  HA       4.50
REMARK   3       38 SER  HN      36 PHE HB3       6.00
REMARK   3       38 SER  HN      37 PRO QPD       3.50
REMARK   3       38 SER  HN      38 SER QPB       3.00
REMARK   3       38 SER  HN      39 LEU  HG       6.00
REMARK   3       38 SER  HN      39 LEU  HN       3.00
REMARK   3       38 SER  HN      39 LEU QPB       4.50
REMARK   3       38 SER  HN      39 LEU QQD       6.00
REMARK   3       38 SER  HN      40 LEU  HN       7.00
REMARK   3       38 SER  HN      40 LEU QQD       7.00
REMARK   3       39 LEU  HN      36 PHE HB2       4.50
REMARK   3       39 LEU  HN      36 PHE HB3       4.50
REMARK   3       39 LEU  HN      38 SER QPB       3.00
REMARK   3       39 LEU  HA      39 LEU  HG       3.00
REMARK   3       39 LEU  HN      39 LEU  HG       3.00
REMARK   3       39 LEU  HN      39 LEU QPB       3.00
REMARK   3       39 LEU QPB      39 LEU QQD       4.50
REMARK   3       39 LEU QQD      39 LEU QPB       4.50
REMARK   3       39 LEU  HN      40 LEU  HN       4.50
REMARK   3       39 LEU  HN      40 LEU QQD       6.00
REMARK   3       39 LEU QPB      73 ILE QPG       2.50
REMARK   3       40 LEU  HN      37 PRO  HA       4.50
REMARK   3       40 LEU  HN      39 LEU  HA       3.50
REMARK   3       40 LEU  HN      39 LEU QPB       3.00
REMARK   3       40 LEU  HN      40 LEU QPB       2.50
REMARK   3       40 LEU QPB      40 LEU QQD       3.50
REMARK   3       40 LEU QQD      40 LEU  HA       3.00
REMARK   3       40 LEU QQD      40 LEU QPB       3.00
REMARK   3       41 LYS  HN      37 PRO  HA       7.00
REMARK   3       41 LYS  HN      39 LEU  HA       4.50
REMARK   3       41 LYS  HN      40 LEU  HA       3.50
REMARK   3       41 LYS  HN      40 LEU QPB       3.50
REMARK   3       41 LYS  HA      41 LYS QPG       3.00
REMARK   3       41 LYS  HN      41 LYS HB2       3.00
REMARK   3       41 LYS  HN      41 LYS HB3       3.50
REMARK   3       41 LYS  HN      41 LYS QPG       3.50
REMARK   3       42 GLY  HN      40 LEU  HA       6.00
REMARK   3       42 GLY  HN      41 LYS  HA       3.50
REMARK   3       42 GLY  HN      41 LYS HB2       3.50
REMARK   3       42 GLY  HN      41 LYS HB3       3.50
REMARK   3       42 GLY  HN      41 LYS  HN       4.50
REMARK   3       43 GLY  HN      41 LYS HB2       6.00
REMARK   3       44 SER  HN      44 SER QPB       3.00
REMARK   3       44 SER QPB      49 LEU QQD       7.00
REMARK   3       45 THR  HN      44 SER QPB       3.00
REMARK   3       45 THR  HA      45 THR  MG       3.00
REMARK   3       45 THR  HN      45 THR  MG       3.50
REMARK   3       45 THR  MG      45 THR  HA       3.50
REMARK   3       45 THR  HN      46 LEU QQD       6.00
REMARK   3       45 THR  HN      48 GLU QPG       5.00
REMARK   3       46 LEU  HN      32 LEU QQD       6.00
REMARK   3       46 LEU  HN      40 LEU QQD       6.00
REMARK   3       46 LEU  HN      45 THR  HA       3.00
REMARK   3       46 LEU  HN      45 THR  HB       3.00
REMARK   3       46 LEU  HN      46 LEU  HG       4.50
REMARK   3       46 LEU  HN      46 LEU QPB       2.50
REMARK   3       46 LEU QPB      46 LEU QQD       4.50
REMARK   3       46 LEU QQD      46 LEU  HA       5.00
REMARK   3       46 LEU  HN      47 ASP  HN       3.00
REMARK   3       46 LEU  HA      49 LEU QPB       3.00
REMARK   3       46 LEU  HA      49 LEU QQD       3.50
REMARK   3       46 LEU  HN      49 LEU QQD       6.00
REMARK   3       47 ASP  HN      45 THR  HA       6.00
REMARK   3       47 ASP  HN      45 THR  HB       4.50
REMARK   3       47 ASP  HN      45 THR  MG       6.00
REMARK   3       47 ASP  HA      46 LEU QQD       5.00
REMARK   3       47 ASP  HN      46 LEU  HA       3.50
REMARK   3       47 ASP  HN      46 LEU  HG       3.50
REMARK   3       47 ASP  HN      46 LEU QPB       2.50
REMARK   3       47 ASP  HN      47 ASP HB2       2.50
REMARK   3       47 ASP  HN      47 ASP HB3       3.50
REMARK   3       47 ASP  HN      48 GLU  HN       3.50
REMARK   3       47 ASP  HN      49 LEU QQD       7.00
REMARK   3       47 ASP  HA      50 PHE HB2       3.50
REMARK   3       47 ASP  HA      50 PHE HB3       3.00
REMARK   3       48 GLU  HN      45 THR  HA       6.00
REMARK   3       48 GLU  HN      45 THR  HB       7.00
REMARK   3       48 GLU  HN      45 THR  MG       6.00
REMARK   3       48 GLU  HN      47 ASP  HA       3.50
REMARK   3       48 GLU  HN      47 ASP HB2       3.00
REMARK   3       48 GLU  HN      47 ASP HB3       4.50
REMARK   3       48 GLU  HN      48 GLU QPB       2.50
REMARK   3       48 GLU  HN      48 GLU QPG       3.00
REMARK   3       48 GLU  HN      49 LEU QPB       6.00
REMARK   3       49 LEU QQD      32 LEU QQD       6.00
REMARK   3       49 LEU QQD      44 SER QPB       7.00
REMARK   3       49 LEU  HN      46 LEU  HA       3.50
REMARK   3       49 LEU QQD      46 LEU  HA       5.00
REMARK   3       49 LEU  HN      48 GLU  HA       3.50
REMARK   3       49 LEU  HN      48 GLU  HN       3.00
REMARK   3       49 LEU  HN      48 GLU QPB       3.00
REMARK   3       49 LEU  HN      49 LEU QPB       2.50
REMARK   3       49 LEU QPB      49 LEU QQD       4.50
REMARK   3       49 LEU QQD      49 LEU QPB       3.50
REMARK   3       49 LEU  HN      50 PHE HB2       7.00
REMARK   3       49 LEU  HN      50 PHE HB3       7.00
REMARK   3       49 LEU  HA      52 GLU QPB       3.50
REMARK   3       50 PHE  CG      25 LYS  HA       3.00
REMARK   3       50 PHE  CG      25 LYS QPE       3.00
REMARK   3       50 PHE  CG      25 LYS QPG       3.00
REMARK   3       50 PHE  CZ      25 LYS  HA       3.00
REMARK   3       50 PHE  CZ      25 LYS QPE       6.00
REMARK   3       50 PHE  HN      25 LYS QPE       6.00
REMARK   3       50 PHE  CG      28 LEU QPB       4.50
REMARK   3       50 PHE  CG      28 LEU QQD       3.00
REMARK   3       50 PHE  CZ      28 LEU QPB       5.00
REMARK   3       50 PHE  CZ      28 LEU QQD       6.00
REMARK   3       50 PHE  HA      28 LEU QQD       3.50
REMARK   3       50 PHE  HN      28 LEU QQD       6.00
REMARK   3       50 PHE  HN      46 LEU  HA       4.50
REMARK   3       50 PHE  HN      46 LEU QQD       6.00
REMARK   3       50 PHE  HN      47 ASP  HA       3.50
REMARK   3       50 PHE  HN      48 GLU  HA       6.00
REMARK   3       50 PHE  HN      49 LEU  HA       3.50
REMARK   3       50 PHE  HN      49 LEU  HN       3.00
REMARK   3       50 PHE  HN      49 LEU QPB       3.00
REMARK   3       50 PHE  HN      50 PHE HB2       2.50
REMARK   3       50 PHE  HN      50 PHE HB3       2.50
REMARK   3       50 PHE  CG      51 GLU  HA       3.50
REMARK   3       50 PHE  HN      51 GLU  HN       3.00
REMARK   3       50 PHE  HN      52 GLU  HN       7.00
REMARK   3       50 PHE  CG      53 LEU MD1       4.50
REMARK   3       50 PHE  HA      53 LEU HB2       3.00
REMARK   3       50 PHE  HA      53 LEU MD1       3.50
REMARK   3       50 PHE  HN      53 LEU MD1       6.00
REMARK   3       50 PHE  CG      54 ASP HB3       6.00
REMARK   3       50 PHE  CG      59 GLY QPA       6.00
REMARK   3       50 PHE  CZ      59 GLY QPA       3.50
REMARK   3       50 PHE  CG      60 GLU  HA       4.50
REMARK   3       50 PHE  CZ      60 GLU  HA       4.50
REMARK   3       50 PHE  HZ      60 GLU  HA       3.00
REMARK   3       50 PHE  HZ      60 GLU QPB       6.00
REMARK   3       50 PHE  CG      61 VAL MG2       3.50
REMARK   3       50 PHE  CZ      61 VAL  HB       5.00
REMARK   3       50 PHE  CZ      61 VAL MG2       3.50
REMARK   3       50 PHE  HA      61 VAL MG2       7.00
REMARK   3       50 PHE  HN      61 VAL MG2       7.00
REMARK   3       50 PHE  HZ      61 VAL MG2       7.00
REMARK   3       51 GLU  HN      47 ASP  HA       4.50
REMARK   3       51 GLU  HN      48 GLU  HA       3.50
REMARK   3       51 GLU  HN      50 PHE HB2       4.50
REMARK   3       51 GLU  HN      50 PHE HB3       3.00
REMARK   3       51 GLU  HA      51 GLU QPG       3.00
REMARK   3       51 GLU  HN      51 GLU QPB       2.50
REMARK   3       51 GLU  HN      51 GLU QPG       2.50
REMARK   3       52 GLU  HN      48 GLU  HA       4.50
REMARK   3       52 GLU  HN      49 LEU  HA       3.50
REMARK   3       52 GLU  HN      50 PHE  HA       6.00
REMARK   3       52 GLU  HN      50 PHE HB3       6.00
REMARK   3       52 GLU  HN      51 GLU  HA       3.50
REMARK   3       52 GLU  HN      51 GLU QPB       2.50
REMARK   3       53 LEU MD1      32 LEU QQD       6.00
REMARK   3       53 LEU  HN      50 PHE  HA       3.50
REMARK   3       53 LEU MD1      50 PHE  HA       3.50
REMARK   3       53 LEU  HN      51 GLU  HA       4.50
REMARK   3       53 LEU  HN      52 GLU  HA       3.50
REMARK   3       53 LEU  HN      52 GLU  HN       3.50
REMARK   3       53 LEU  HN      52 GLU QPB       3.00
REMARK   3       53 LEU  HA      53 LEU MD1       3.50
REMARK   3       53 LEU  HA      53 LEU MD2       3.00
REMARK   3       53 LEU HB3      53 LEU MD1       4.50
REMARK   3       53 LEU HB3      53 LEU MD2       6.00
REMARK   3       53 LEU  HN      53 LEU HB2       2.50
REMARK   3       53 LEU  HN      53 LEU HB3       3.50
REMARK   3       53 LEU  HN      53 LEU  HG       2.50
REMARK   3       53 LEU  HN      53 LEU MD1       4.50
REMARK   3       53 LEU  HN      53 LEU MD2       4.50
REMARK   3       53 LEU  HN      54 ASP  HN       3.00
REMARK   3       53 LEU HB3      61 VAL MG2       6.00
REMARK   3       53 LEU  HN      61 VAL MG1       7.00
REMARK   3       53 LEU  HN      61 VAL MG2       6.00
REMARK   3       53 LEU MD1      61 VAL MG1       4.50
REMARK   3       54 ASP  HN      50 PHE  HA       4.50
REMARK   3       54 ASP  HN      51 GLU  HA       3.50
REMARK   3       54 ASP  HN      53 LEU  HA       3.50
REMARK   3       54 ASP  HN      53 LEU HB2       3.00
REMARK   3       54 ASP  HN      53 LEU HB3       3.50
REMARK   3       54 ASP  HN      53 LEU  HG       4.50
REMARK   3       54 ASP  HN      53 LEU MD1       6.00
REMARK   3       54 ASP  HN      53 LEU MD2       6.00
REMARK   3       54 ASP  HN      54 ASP HB2       3.00
REMARK   3       54 ASP  HN      54 ASP HB3       2.50
REMARK   3       54 ASP HB3      61 VAL MG1       4.50
REMARK   3       54 ASP  HN      61 VAL MG1       6.00
REMARK   3       54 ASP  HN      61 VAL MG2       6.00
REMARK   3       55 LYS  HA      55 LYS QPD       3.00
REMARK   3       55 LYS  HA      55 LYS QPG       3.00
REMARK   3       55 LYS  HN      55 LYS QPB       3.00
REMARK   3       55 LYS  HN      55 LYS QPD       7.00
REMARK   3       55 LYS  HN      55 LYS QPG       3.00
REMARK   3       56 ASN  HN      54 ASP HB2       6.00
REMARK   3       56 ASN  HN      55 LYS  HA       3.50
REMARK   3       56 ASN  HN      55 LYS QPB       3.50
REMARK   3       56 ASN HND1     56 ASN HB2       5.00
REMARK   3       56 ASN HND1     56 ASN HB3       4.50
REMARK   3       56 ASN HND2     56 ASN HB2       3.50
REMARK   3       56 ASN HND2     56 ASN HB3       3.00
REMARK   3       56 ASN  HN      57 GLY  HN       3.00
REMARK   3       57 GLY  HN      55 LYS  HA       4.50
REMARK   3       58 ASP  HN      54 ASP HB3       6.00
REMARK   3       58 ASP  HN      57 GLY  HN       3.00
REMARK   3       58 ASP  HN      58 ASP HB2       3.50
REMARK   3       58 ASP  HN      58 ASP HB3       3.00
REMARK   3       58 ASP  HN      60 GLU  HN       6.00
REMARK   3       59 GLY  HN      50 PHE  CZ       6.00
REMARK   3       59 GLY  HN      50 PHE  HZ       6.00
REMARK   3       59 GLY  HN      57 GLY  HN       6.00
REMARK   3       59 GLY  HN      57 GLY QPA       4.50
REMARK   3       59 GLY  HN      58 ASP  HN       3.00
REMARK   3       59 GLY  HN      60 GLU  HN       3.00
REMARK   3       59 GLY  HN      60 GLU QPB       7.00
REMARK   3       60 GLU  HN      50 PHE  HZ       4.50
REMARK   3       60 GLU  HA      60 GLU QPG       3.00
REMARK   3       60 GLU  HN      60 GLU QPB       3.00
REMARK   3       60 GLU  HN      61 VAL  HA       6.00
REMARK   3       60 GLU  HN      61 VAL MG2       7.00
REMARK   3       61 VAL  HB      23 LEU MD1       6.00
REMARK   3       61 VAL  HN      23 LEU HB2       3.50
REMARK   3       61 VAL  HN      23 LEU HB3       4.50
REMARK   3       61 VAL  HN      23 LEU  HN       3.50
REMARK   3       61 VAL MG2      28 LEU QPB       6.00
REMARK   3       61 VAL MG2      28 LEU QQD       6.00
REMARK   3       61 VAL  HN      50 PHE  CZ       6.00
REMARK   3       61 VAL  HN      50 PHE  HZ       6.00
REMARK   3       61 VAL MG2      50 PHE  HA       6.00
REMARK   3       61 VAL MG2      53 LEU HB2       3.50
REMARK   3       61 VAL MG2      53 LEU HB3       6.00
REMARK   3       61 VAL  HN      60 GLU  HA       2.50
REMARK   3       61 VAL  HN      60 GLU QPB       3.00
REMARK   3       61 VAL  HA      61 VAL MG2       3.00
REMARK   3       61 VAL  HN      61 VAL  HB       3.00
REMARK   3       61 VAL MG2      61 VAL  HA       3.50
REMARK   3       61 VAL  HA      65 GLU QPG       3.50
REMARK   3       62 SER  HN      22 GLN QPG       4.50
REMARK   3       62 SER  HN      61 VAL  HA       2.50
REMARK   3       62 SER  HN      61 VAL MG1       4.50
REMARK   3       62 SER  HN      65 GLU QPG       3.00
REMARK   3       63 PHE  CZ      06 LEU HB2       4.50
REMARK   3       63 PHE  CZ      06 LEU HB3       3.50
REMARK   3       63 PHE  HZ      06 LEU HB2       5.00
REMARK   3       63 PHE  HZ      06 LEU HB3       4.50
REMARK   3       63 PHE  CG      07 LYS  HA       4.50
REMARK   3       63 PHE  CG      07 LYS QPB       6.00
REMARK   3       63 PHE  CG      07 LYS QPD       7.00
REMARK   3       63 PHE  CZ      07 LYS  HA       3.00
REMARK   3       63 PHE  CZ      07 LYS QPB       3.50
REMARK   3       63 PHE  CZ      07 LYS QPD       4.50
REMARK   3       63 PHE  CZ      07 LYS QPG       4.50
REMARK   3       63 PHE  HZ      07 LYS  HA       3.50
REMARK   3       63 PHE  HZ      07 LYS QPB       3.00
REMARK   3       63 PHE  CG      10 PHE HB2       3.50
REMARK   3       63 PHE  CG      10 PHE HB3       3.00
REMARK   3       63 PHE  CZ      10 PHE HB2       3.50
REMARK   3       63 PHE  CZ      10 PHE HB3       3.50
REMARK   3       63 PHE  HN      10 PHE  CZ       4.50
REMARK   3       63 PHE  HN      10 PHE  HZ       4.50
REMARK   3       63 PHE  HN      22 GLN  HA       6.00
REMARK   3       63 PHE  CG      23 LEU MD1       6.00
REMARK   3       63 PHE  HN      62 SER  HA       3.00
REMARK   3       63 PHE  HN      62 SER QPB       3.50
REMARK   3       63 PHE  CZ      63 PHE  HA       5.00
REMARK   3       63 PHE  HN      63 PHE HB2       3.00
REMARK   3       63 PHE  HN      63 PHE HB3       3.00
REMARK   3       63 PHE  CG      64 GLU  HA       4.50
REMARK   3       63 PHE  HN      64 GLU  HA       7.00
REMARK   3       63 PHE  HN      64 GLU  HN       3.00
REMARK   3       63 PHE  HN      64 GLU QPB       7.00
REMARK   3       63 PHE  CG      66 PHE QPB       4.50
REMARK   3       63 PHE  HA      66 PHE QPB       3.00
REMARK   3       64 GLU  HN      62 SER  HA       7.00
REMARK   3       64 GLU  HN      62 SER QPB       4.50
REMARK   3       64 GLU  HN      63 PHE HB2       4.50
REMARK   3       64 GLU  HN      63 PHE HB3       3.00
REMARK   3       64 GLU  HN      64 GLU QPB       2.50
REMARK   3       64 GLU  HN      65 GLU  HN       3.50
REMARK   3       65 GLU  HN      64 GLU QPG       4.50
REMARK   3       65 GLU  HN      65 GLU QPG       2.50
REMARK   3       66 PHE  CG      06 LEU HB2       6.00
REMARK   3       66 PHE  CG      06 LEU MD2       6.00
REMARK   3       66 PHE  CZ      06 LEU  HA       4.50
REMARK   3       66 PHE  CZ      06 LEU HB2       3.50
REMARK   3       66 PHE  CZ      06 LEU HB3       3.00
REMARK   3       66 PHE  CZ      06 LEU  HG       6.00
REMARK   3       66 PHE  CZ      06 LEU MD1       4.50
REMARK   3       66 PHE  CZ      06 LEU MD2       7.00
REMARK   3       66 PHE  HZ      06 LEU HB3       3.50
REMARK   3       66 PHE  HZ      06 LEU MD2       4.50
REMARK   3       66 PHE  CZ      09 ILE  MG       6.00
REMARK   3       66 PHE  HZ      09 ILE  HB       4.50
REMARK   3       66 PHE  CG      10 PHE  CG       6.00
REMARK   3       66 PHE  CG      10 PHE HB2       4.50
REMARK   3       66 PHE  CZ      10 PHE  HA       6.00
REMARK   3       66 PHE  CZ      10 PHE HB2       4.50
REMARK   3       66 PHE  CZ      10 PHE HB3       6.00
REMARK   3       66 PHE  HN      10 PHE  CZ       4.50
REMARK   3       66 PHE  HZ      10 PHE HB3       3.50
REMARK   3       66 PHE  CG      23 LEU MD1       3.50
REMARK   3       66 PHE  CG      23 LEU MD2       6.00
REMARK   3       66 PHE  CZ      23 LEU MD2       6.00
REMARK   3       66 PHE  HN      23 LEU MD1       6.00
REMARK   3       66 PHE QPB      23 LEU MD1       6.00
REMARK   3       66 PHE  CG      28 LEU QQD       4.50
REMARK   3       66 PHE  CZ      28 LEU QQD       4.50
REMARK   3       66 PHE  CZ      31 LEU QQD       3.50
REMARK   3       66 PHE  HZ      31 LEU QQD       3.50
REMARK   3       66 PHE  CG      32 LEU QQD       6.00
REMARK   3       66 PHE  CZ      32 LEU QQD       6.00
REMARK   3       66 PHE  CG      53 LEU MD1       4.50
REMARK   3       66 PHE  HA      53 LEU MD2       4.50
REMARK   3       66 PHE  HN      53 LEU MD1       6.00
REMARK   3       66 PHE  HN      53 LEU MD2       6.00
REMARK   3       66 PHE  CG      61 VAL  HB       6.00
REMARK   3       66 PHE  CG      61 VAL MG1       3.50
REMARK   3       66 PHE  HN      61 VAL MG1       4.50
REMARK   3       66 PHE QPB      61 VAL MG1       3.50
REMARK   3       66 PHE  CG      63 PHE  CG       7.00
REMARK   3       66 PHE  CG      63 PHE  HA       3.50
REMARK   3       66 PHE  HN      63 PHE  CG       7.00
REMARK   3       66 PHE  HN      63 PHE  HA       3.50
REMARK   3       66 PHE  HN      64 GLU  HA       7.00
REMARK   3       66 PHE  HN      65 GLU  HN       3.00
REMARK   3       66 PHE  HN      65 GLU QPG       2.50
REMARK   3       66 PHE  HN      66 PHE QPB       2.50
REMARK   3       66 PHE  CG      67 GLN  HA       4.50
REMARK   3       66 PHE  CZ      67 GLN  HA       7.00
REMARK   3       66 PHE  CZ      67 GLN HNE2      2.50
REMARK   3       66 PHE  HN      67 GLN  HN       3.00
REMARK   3       66 PHE  HN      67 GLN QPG       6.00
REMARK   3       66 PHE  HN      68 VAL  HN       6.00
REMARK   3       66 PHE  CG      69 LEU QPB       7.00
REMARK   3       66 PHE  CG      69 LEU QQD       4.50
REMARK   3       66 PHE  CZ      69 LEU QQD       4.50
REMARK   3       66 PHE  CZ      70 VAL  HA       7.00
REMARK   3       66 PHE  CZ      70 VAL MG1       6.00
REMARK   3       66 PHE  CZ      70 VAL MG2       3.50
REMARK   3       66 PHE  HZ      70 VAL MG2       4.50
REMARK   3       66 PHE QPB      70 VAL MG2       7.00
REMARK   3       66 PHE  CZ      73 ILE  MD       6.00
REMARK   3       67 GLN  HA      06 LEU MD1       7.00
REMARK   3       67 GLN  HA      06 LEU MD2       7.00
REMARK   3       67 GLN  HN      64 GLU  HA       4.50
REMARK   3       67 GLN HNE2     64 GLU  HA       5.00
REMARK   3       67 GLN  HN      65 GLU  HA       4.50
REMARK   3       67 GLN  HN      66 PHE QPB       3.00
REMARK   3       67 GLN  HN      67 GLN QPG       3.00
REMARK   3       67 GLN HNE2     67 GLN  HA       7.00
REMARK   3       67 GLN HNE2     67 GLN QPB       7.00
REMARK   3       67 GLN HNE2     67 GLN QPG       3.50
REMARK   3       67 GLN  HN      68 VAL  HN       3.50
REMARK   3       67 GLN  HN      68 VAL MG2       6.00
REMARK   3       67 GLN  HA      70 VAL  HB       3.00
REMARK   3       67 GLN  HA      70 VAL MG1       6.00
REMARK   3       67 GLN  HA      70 VAL MG2       3.50
REMARK   3       67 GLN  HN      70 VAL MG2       6.00
REMARK   3       68 VAL  HA      53 LEU MD2       6.00
REMARK   3       68 VAL  HN      53 LEU MD2       4.50
REMARK   3       68 VAL  HN      65 GLU  HA       6.00
REMARK   3       68 VAL  HN      66 PHE  HA       4.50
REMARK   3       68 VAL  HN      67 GLN  HA       3.50
REMARK   3       68 VAL  HN      67 GLN QPB       3.50
REMARK   3       68 VAL  HA      68 VAL MG1       3.00
REMARK   3       68 VAL  HA      68 VAL MG2       3.00
REMARK   3       68 VAL  HN      68 VAL  HB       2.50
REMARK   3       68 VAL  HN      68 VAL MG2       3.00
REMARK   3       68 VAL MG1      68 VAL  HA       3.50
REMARK   3       68 VAL MG2      68 VAL  HA       3.50
REMARK   3       68 VAL  HA      71 LYS QPB       4.50
REMARK   3       69 LEU QQD      32 LEU QQD       4.50
REMARK   3       69 LEU QQD      49 LEU QQD       6.00
REMARK   3       69 LEU  HA      53 LEU MD1       4.50
REMARK   3       69 LEU  HA      53 LEU MD2       4.50
REMARK   3       69 LEU  HN      53 LEU MD1       6.00
REMARK   3       69 LEU  HN      53 LEU MD2       4.50
REMARK   3       69 LEU  HN      66 PHE  HA       3.50
REMARK   3       69 LEU  HN      67 GLN  HA       4.50
REMARK   3       69 LEU  HN      68 VAL  HB       3.00
REMARK   3       69 LEU  HN      68 VAL  HN       3.00
REMARK   3       69 LEU  HN      69 LEU QPB       3.00
REMARK   3       69 LEU QQD      69 LEU  HA       3.50
REMARK   3       69 LEU QQD      69 LEU QPB       2.50
REMARK   3       69 LEU  HN      70 VAL  HN       3.00
REMARK   3       69 LEU  HN      70 VAL MG2       6.00
REMARK   3       69 LEU  HA      72 LYS QPB       3.00
REMARK   3       69 LEU  HA      72 LYS QPD       3.50
REMARK   3       70 VAL  HN      06 LEU MD1       6.00
REMARK   3       70 VAL  HN      67 GLN  HA       3.50
REMARK   3       70 VAL MG2      67 GLN  HA       4.50
REMARK   3       70 VAL  HN      68 VAL  HA       6.00
REMARK   3       70 VAL  HN      69 LEU QPB       3.00
REMARK   3       70 VAL  HN      70 VAL  HB       3.00
REMARK   3       70 VAL  HN      70 VAL MG2       3.50
REMARK   3       70 VAL MG1      70 VAL  HA       3.50
REMARK   3       70 VAL MG2      70 VAL  HA       3.50
REMARK   3       70 VAL  HA      73 ILE  MD       4.50
REMARK   3       70 VAL  HA      73 ILE  MG       7.00
REMARK   3       70 VAL  HA      73 ILE QPG       3.00
REMARK   3       71 LYS  HN      67 GLN  HA       6.00
REMARK   3       71 LYS  HN      68 VAL  HA       4.50
REMARK   3       71 LYS  HN      69 LEU  HA       4.50
REMARK   3       71 LYS  HA      70 VAL MG1       6.00
REMARK   3       71 LYS  HN      70 VAL  HB       3.00
REMARK   3       71 LYS  HN      70 VAL  HN       3.00
REMARK   3       71 LYS  HN      71 LYS QPB       2.50
REMARK   3       71 LYS  HN      71 LYS QPD       6.00
REMARK   3       71 LYS  HN      71 LYS QPG       3.00
REMARK   3       72 LYS  HN      69 LEU  HA       3.50
REMARK   3       72 LYS  HN      70 VAL  HA       7.00
REMARK   3       72 LYS  HN      70 VAL MG2       7.00
REMARK   3       72 LYS  HN      71 LYS  HA       3.50
REMARK   3       72 LYS  HN      71 LYS QPB       3.50
REMARK   3       72 LYS  HN      71 LYS QPG       3.00
REMARK   3       72 LYS  HA      72 LYS QPD       3.00
REMARK   3       72 LYS  HN      72 LYS QPB       2.50
REMARK   3       72 LYS  HN      72 LYS QPD       3.50
REMARK   3       72 LYS  HN      73 ILE  HN       3.00
REMARK   3       72 LYS  HN      73 ILE  MG       7.00
REMARK   3       72 LYS  HN      73 ILE QPG       7.00
REMARK   3       73 ILE  MD      36 PHE  CZ       6.00
REMARK   3       73 ILE  HA      39 LEU QQD       6.00
REMARK   3       73 ILE  HN      39 LEU QQD       6.00
REMARK   3       73 ILE  HN      69 LEU  HA       7.00
REMARK   3       73 ILE  HN      70 VAL  HA       4.50
REMARK   3       73 ILE  HN      70 VAL MG1       6.00
REMARK   3       73 ILE  MD      70 VAL  HA       4.50
REMARK   3       73 ILE  HN      71 LYS  HA       4.50
REMARK   3       73 ILE  HN      72 LYS  HA       3.50
REMARK   3       73 ILE  HN      72 LYS QPB       3.50
REMARK   3       73 ILE  HA      73 ILE  MG       3.00
REMARK   3       73 ILE  HA      73 ILE QPG       3.00
REMARK   3       73 ILE  HB      73 ILE  MD       6.00
REMARK   3       73 ILE  HN      73 ILE  HB       3.00
REMARK   3       73 ILE  HN      73 ILE QPG       3.00
REMARK   3       73 ILE  MD      73 ILE  HB       3.50
REMARK   3       73 ILE  MD      73 ILE  HN       6.00
REMARK   3       73 ILE  MG      73 ILE  HA       3.50
REMARK   3       74 SER  HN      70 VAL MG1       6.00
REMARK   3       74 SER  HN      71 LYS  HA       3.50
REMARK   3       74 SER  HN      73 ILE  HA       3.50
REMARK   3       74 SER  HN      73 ILE  HB       3.50
REMARK   3       74 SER  HN      73 ILE  HN       3.50
REMARK   3       74 SER  HN      74 SER QPB       3.00
REMARK   3       75 GLN  HN      73 ILE  HA       6.00
REMARK   3       75 GLN  HN      73 ILE  MG       6.00
REMARK   3       75 GLN  HN      74 SER  HA       3.50
REMARK   3       75 GLN  HN      75 GLN QPB       3.00

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  599 H/Q atoms
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  -8.268 -10.647  -4.866
    2   2H    LYS   1          2H        LYS   1  -7.160  -9.405  -4.625
    3   3H    LYS   1          3H        LYS   1  -7.473 -10.504  -3.391
    4    HA   LYS   1           HA       LYS   1  -9.694  -9.739  -3.183
    5   1HB   LYS   1          1HB       LYS   1  -7.772  -7.400  -3.140
    6   2HB   LYS   1          2HB       LYS   1  -9.288  -7.597  -2.266
    7   1HG   LYS   1          1HG       LYS   1  -7.869  -8.113  -0.581
    8   2HG   LYS   1          2HG       LYS   1  -8.172  -9.736  -1.231
    9   1HD   LYS   1          1HD       LYS   1  -6.079  -9.530  -2.578
   10   2HD   LYS   1          2HD       LYS   1  -5.830  -7.903  -1.913
   11   1HE   LYS   1          1HE       LYS   1  -5.693  -8.895   0.385
   12   2HE   LYS   1          2HE       LYS   1  -5.884 -10.512  -0.312
   13   1HZ   LYS   1          1HZ       LYS   1  -3.700  -8.654  -0.959
   14   2HZ   LYS   1          2HZ       LYS   1  -3.574  -9.899   0.101
   15   3HZ   LYS   1          3HZ       LYS   1  -3.858 -10.200  -1.493
   16    H    SER   2           H        SER   2 -11.408  -8.392  -4.019
   17    HA   SER   2           HA       SER   2 -11.406  -8.106  -6.855
   18   1HB   SER   2          1HB       SER   2 -13.595  -6.989  -6.501
   19   2HB   SER   2          2HB       SER   2 -13.464  -8.470  -5.550
   20    HG   SER   2           HG       SER   2 -13.111  -7.274  -3.732
   21    HA   PRO   3           HA       PRO   3  -9.709  -3.981  -7.580
   22   1HB   PRO   3          1HB       PRO   3 -12.406  -3.499  -8.889
   23   2HB   PRO   3          2HB       PRO   3 -10.791  -2.968  -9.446
   24   1HG   PRO   3          1HG       PRO   3 -11.905  -5.182 -10.532
   25   2HG   PRO   3          2HG       PRO   3 -10.191  -5.228 -10.025
   26   1HD   PRO   3          1HD       PRO   3 -12.601  -6.315  -8.563
   27   2HD   PRO   3          2HD       PRO   3 -10.985  -7.047  -8.796
   28    H    GLU   4           H        GLU   4 -13.134  -4.212  -6.518
   29    HA   GLU   4           HA       GLU   4 -13.385  -1.709  -5.258
   30   1HB   GLU   4          1HB       GLU   4 -14.737  -4.324  -4.563
   31   2HB   GLU   4          2HB       GLU   4 -15.213  -2.695  -4.056
   32   1HG   GLU   4          1HG       GLU   4 -16.446  -2.625  -5.911
   33   2HG   GLU   4          2HG       GLU   4 -14.973  -2.307  -6.790
   34    H    GLU   5           H        GLU   5 -12.233  -4.825  -3.959
   35    HA   GLU   5           HA       GLU   5 -11.899  -3.853  -1.234
   36   1HB   GLU   5          1HB       GLU   5 -10.884  -6.261  -2.770
   37   2HB   GLU   5          2HB       GLU   5 -10.398  -5.938  -1.095
   38   1HG   GLU   5          1HG       GLU   5 -12.639  -6.122  -0.284
   39   2HG   GLU   5          2HG       GLU   5 -13.325  -6.101  -1.911
   40    H    LEU   6           H        LEU   6  -9.823  -4.225  -4.084
   41    HA   LEU   6           HA       LEU   6  -7.412  -3.257  -2.890
   42   1HB   LEU   6          1HB       LEU   6  -8.386  -3.282  -5.766
   43   2HB   LEU   6          2HB       LEU   6  -6.786  -2.806  -5.249
   44    HG   LEU   6           HG       LEU   6  -8.064  -5.567  -4.901
   45   1HD1  LEU   6          3HD1      LEU   6  -7.191  -4.976  -7.183
   46   2HD1  LEU   6          1HD1      LEU   6  -5.598  -4.706  -6.423
   47   3HD1  LEU   6          2HD1      LEU   6  -6.324  -6.324  -6.416
   48   1HD2  LEU   6          3HD2      LEU   6  -5.360  -4.558  -3.923
   49   2HD2  LEU   6          1HD2      LEU   6  -6.667  -5.266  -2.935
   50   3HD2  LEU   6          2HD2      LEU   6  -5.805  -6.269  -4.090
   51    H    LYS   7           H        LYS   7 -10.044  -1.515  -4.528
   52    HA   LYS   7           HA       LYS   7  -8.889   1.061  -4.219
   53   1HB   LYS   7          1HB       LYS   7 -10.951   0.535  -5.556
   54   2HB   LYS   7          2HB       LYS   7 -11.852   0.300  -4.076
   55   1HG   LYS   7          1HG       LYS   7 -12.279   2.482  -5.079
   56   2HG   LYS   7          2HG       LYS   7 -11.656   2.610  -3.434
   57   1HD   LYS   7          1HD       LYS   7  -9.437   3.235  -4.236
   58   2HD   LYS   7          2HD       LYS   7  -9.901   2.906  -5.910
   59   1HE   LYS   7          1HE       LYS   7 -11.150   5.069  -4.152
   60   2HE   LYS   7          2HE       LYS   7  -9.834   5.333  -5.307
   61   1HZ   LYS   7          3HZ       LYS   7 -11.278   4.569  -7.048
   62   2HZ   LYS   7          1HZ       LYS   7 -12.520   4.372  -5.983
   63   3HZ   LYS   7          2HZ       LYS   7 -11.915   5.876  -6.271
   64    H    GLY   8           H        GLY   8 -11.012  -0.782  -2.070
   65   1HA   GLY   8          1HA       GLY   8 -11.236   1.019   0.096
   66   2HA   GLY   8          2HA       GLY   8 -11.202  -0.748   0.257
   67    H    ILE   9           H        ILE   9  -8.768  -1.462  -0.481
   68    HA   ILE   9           HA       ILE   9  -6.992  -0.954   1.668
   69    HB   ILE   9           HB       ILE   9  -6.728  -2.202  -1.037
   70   1HG1  ILE   9          1HG1      ILE   9  -8.198  -3.144   0.755
   71   2HG1  ILE   9          2HG1      ILE   9  -6.933  -4.244   0.179
   72   1HG2  ILE   9          1HG2      ILE   9  -4.572  -2.093   1.061
   73   2HG2  ILE   9          2HG2      ILE   9  -4.619  -3.221  -0.311
   74   3HG2  ILE   9          3HG2      ILE   9  -4.512  -1.481  -0.599
   75   1HD1  ILE   9          3HD1      ILE   9  -5.656  -3.631   2.326
   76   2HD1  ILE   9          1HD1      ILE   9  -7.106  -2.758   2.848
   77   3HD1  ILE   9          2HD1      ILE   9  -7.182  -4.492   2.552
   78    H    PHE  10           H        PHE  10  -6.839   0.204  -1.742
   79    HA   PHE  10           HA       PHE  10  -4.580   1.819  -1.578
   80   1HB   PHE  10          1HB       PHE  10  -5.888   1.253  -3.642
   81   2HB   PHE  10          2HB       PHE  10  -7.160   2.311  -3.121
   82    HD1  PHE  10           HD1      PHE  10  -6.749   4.816  -2.897
   83    HD2  PHE  10           HD2      PHE  10  -3.882   2.137  -4.713
   84    HE1  PHE  10           HE1      PHE  10  -5.440   6.733  -3.663
   85    HE2  PHE  10           HE2      PHE  10  -2.650   4.099  -5.615
   86    HZ   PHE  10           HZ       PHE  10  -3.370   6.386  -5.027
   87    H    GLU  11           H        GLU  11  -7.980   2.677  -0.879
   88    HA   GLU  11           HA       GLU  11  -7.507   5.397  -0.139
   89   1HB   GLU  11          1HB       GLU  11  -9.755   3.454   0.515
   90   2HB   GLU  11          2HB       GLU  11  -9.767   5.161   0.983
   91   1HG   GLU  11          1HG       GLU  11  -9.634   5.889  -1.330
   92   2HG   GLU  11          2HG       GLU  11  -9.455   4.231  -1.907
   93    H    LYS  12           H        LYS  12  -7.895   2.428   1.871
   94    HA   LYS  12           HA       LYS  12  -7.540   3.461   4.423
   95   1HB   LYS  12          1HB       LYS  12  -8.004   1.161   4.237
   96   2HB   LYS  12          2HB       LYS  12  -6.660   0.852   3.138
   97   1HG   LYS  12          1HG       LYS  12  -5.005   1.078   4.829
   98   2HG   LYS  12          2HG       LYS  12  -6.227   1.609   6.028
   99   1HD   LYS  12          1HD       LYS  12  -7.330  -0.664   5.727
  100   2HD   LYS  12          2HD       LYS  12  -6.000  -1.097   4.634
  101   1HE   LYS  12          1HE       LYS  12  -4.409  -0.495   6.594
  102   2HE   LYS  12          2HE       LYS  12  -5.858  -0.459   7.612
  103   1HZ   LYS  12          3HZ       LYS  12  -6.259  -2.749   6.895
  104   2HZ   LYS  12          1HZ       LYS  12  -4.827  -2.732   6.066
  105   3HZ   LYS  12          2HZ       LYS  12  -4.831  -2.572   7.701
  106    H    TYR  13           H        TYR  13  -4.895   2.333   2.253
  107    HA   TYR  13           HA       TYR  13  -2.942   3.210   4.216
  108   1HB   TYR  13          1HB       TYR  13  -2.696   2.080   1.428
  109   2HB   TYR  13          2HB       TYR  13  -1.309   2.542   2.416
  110    HD1  TYR  13           HD1      TYR  13  -1.040   1.582   4.723
  111    HD2  TYR  13           HD2      TYR  13  -3.952   0.022   2.024
  112    HE1  TYR  13           HE1      TYR  13  -1.101  -0.556   6.009
  113    HE2  TYR  13           HE2      TYR  13  -3.968  -2.135   3.193
  114    HH   TYR  13           HH       TYR  13  -1.862  -2.847   5.936
  115    H    ALA  14           H        ALA  14  -4.102   4.575   1.148
  116    HA   ALA  14           HA       ALA  14  -2.257   6.745   0.998
  117   1HB   ALA  14          3HB       ALA  14  -3.821   5.963  -0.809
  118   2HB   ALA  14          1HB       ALA  14  -5.158   6.714   0.079
  119   3HB   ALA  14          2HB       ALA  14  -3.824   7.692  -0.577
  120    H    ALA  15           H        ALA  15  -5.541   6.654   2.327
  121    HA   ALA  15           HA       ALA  15  -5.611   9.213   3.474
  122   1HB   ALA  15          3HB       ALA  15  -7.598   7.774   3.172
  123   2HB   ALA  15          1HB       ALA  15  -7.007   6.694   4.463
  124   3HB   ALA  15          2HB       ALA  15  -7.459   8.366   4.841
  125    H    LYS  16           H        LYS  16  -4.318   6.122   4.808
  126    HA   LYS  16           HA       LYS  16  -3.964   6.933   7.443
  127   1HB   LYS  16          1HB       LYS  16  -3.611   4.648   6.476
  128   2HB   LYS  16          2HB       LYS  16  -2.013   5.175   5.907
  129   1HG   LYS  16          1HG       LYS  16  -1.410   5.706   8.282
  130   2HG   LYS  16          2HG       LYS  16  -2.985   5.106   8.801
  131   1HD   LYS  16          1HD       LYS  16  -0.757   3.540   7.416
  132   2HD   LYS  16          2HD       LYS  16  -1.239   3.401   9.109
  133   1HE   LYS  16          1HE       LYS  16  -2.842   2.526   6.659
  134   2HE   LYS  16          2HE       LYS  16  -2.123   1.500   7.901
  135   1HZ   LYS  16          3HZ       LYS  16  -3.621   2.477   9.493
  136   2HZ   LYS  16          1HZ       LYS  16  -4.308   3.408   8.319
  137   3HZ   LYS  16          2HZ       LYS  16  -4.446   1.769   8.252
  138    H    GLU  17           H        GLU  17  -1.964   7.764   4.596
  139    HA   GLU  17           HA       GLU  17  -0.035   9.272   6.266
  140   1HB   GLU  17          1HB       GLU  17   0.728   8.274   4.195
  141   2HB   GLU  17          2HB       GLU  17  -0.442   9.224   3.250
  142   1HG   GLU  17          1HG       GLU  17   0.710  11.322   4.237
  143   2HG   GLU  17          2HG       GLU  17   1.950  10.229   4.862
  144    H    GLY  18           H        GLY  18  -2.623   9.899   3.914
  145   1HA   GLY  18          1HA       GLY  18  -4.148  11.725   5.176
  146   2HA   GLY  18          2HA       GLY  18  -2.790  12.762   4.696
  147    H    ASP  19           H        ASP  19  -2.057  11.919   2.245
  148    HA   ASP  19           HA       ASP  19  -4.010  13.067   0.542
  149   1HB   ASP  19          1HB       ASP  19  -1.581  12.950   0.033
  150   2HB   ASP  19          2HB       ASP  19  -1.727  11.206  -0.238
  151    HA   PRO  20           HA       PRO  20  -6.428   9.230   0.554
  152   1HB   PRO  20          1HB       PRO  20  -8.616  10.060  -0.855
  153   2HB   PRO  20          2HB       PRO  20  -8.297  10.583   0.834
  154   1HG   PRO  20          1HG       PRO  20  -7.740  12.060  -1.753
  155   2HG   PRO  20          2HG       PRO  20  -8.481  12.703  -0.262
  156   1HD   PRO  20          1HD       PRO  20  -5.827  13.033  -0.863
  157   2HD   PRO  20          2HD       PRO  20  -6.402  12.839   0.818
  158    H    ASN  21           H        ASN  21  -5.535  10.991  -2.398
  159    HA   ASN  21           HA       ASN  21  -6.663   8.922  -4.187
  160   1HB   ASN  21          1HB       ASN  21  -5.567  11.731  -4.603
  161   2HB   ASN  21          2HB       ASN  21  -6.160  10.684  -5.892
  162   1HD2  ASN  21          1HD2      ASN  21  -8.829  13.069  -4.533
  163   2HD2  ASN  21          2HD2      ASN  21  -7.140  13.356  -4.911
  164    H    GLN  22           H        GLN  22  -3.591   9.851  -2.868
  165    HA   GLN  22           HA       GLN  22  -2.134   8.454  -5.063
  166   1HB   GLN  22          1HB       GLN  22  -2.345  11.130  -4.937
  167   2HB   GLN  22          2HB       GLN  22  -1.143  10.938  -3.691
  168   1HG   GLN  22          1HG       GLN  22   0.105  11.269  -5.672
  169   2HG   GLN  22          2HG       GLN  22   0.137   9.495  -5.497
  170   1HE2  GLN  22          1HE2      GLN  22  -0.633  10.004  -9.050
  171   2HE2  GLN  22          2HE2      GLN  22   0.740   9.918  -7.988
  172    H    LEU  23           H        LEU  23  -0.724   6.896  -4.260
  173    HA   LEU  23           HA       LEU  23  -0.175   6.762  -1.359
  174   1HB   LEU  23          1HB       LEU  23   0.398   4.893  -3.674
  175   2HB   LEU  23          2HB       LEU  23   0.820   4.614  -1.996
  176    HG   LEU  23           HG       LEU  23  -2.064   5.018  -2.824
  177   1HD1  LEU  23          3HD1      LEU  23  -1.077   3.104  -4.095
  178   2HD1  LEU  23          1HD1      LEU  23  -0.460   2.435  -2.573
  179   3HD1  LEU  23          2HD1      LEU  23  -2.204   2.527  -2.841
  180   1HD2  LEU  23          1HD2      LEU  23  -1.451   5.165  -0.378
  181   2HD2  LEU  23          2HD2      LEU  23  -2.537   3.815  -0.759
  182   3HD2  LEU  23          3HD2      LEU  23  -0.816   3.507  -0.491
  183    H    SER  24           H        SER  24   1.804   7.431  -0.548
  184    HA   SER  24           HA       SER  24   4.082   7.924  -2.339
  185   1HB   SER  24          1HB       SER  24   5.122   8.920  -0.566
  186   2HB   SER  24          2HB       SER  24   3.459   9.164  -0.043
  187    HG   SER  24           HG       SER  24   3.962   7.986   1.642
  188    H    LYS  25           H        LYS  25   6.241   6.838  -1.429
  189    HA   LYS  25           HA       LYS  25   6.083   4.068  -1.897
  190   1HB   LYS  25          1HB       LYS  25   8.173   5.736  -0.377
  191   2HB   LYS  25          2HB       LYS  25   8.342   4.003  -0.670
  192   1HG   LYS  25          1HG       LYS  25   8.206   4.419  -3.127
  193   2HG   LYS  25          2HG       LYS  25   8.263   6.164  -2.794
  194   1HD   LYS  25          1HD       LYS  25  10.450   5.819  -1.599
  195   2HD   LYS  25          2HD       LYS  25  10.338   4.084  -1.920
  196   1HE   LYS  25          1HE       LYS  25  11.846   5.012  -3.535
  197   2HE   LYS  25          2HE       LYS  25  10.361   4.557  -4.386
  198   1HZ   LYS  25          3HZ       LYS  25   9.695   6.861  -4.267
  199   2HZ   LYS  25          1HZ       LYS  25  11.101   7.265  -3.509
  200   3HZ   LYS  25          2HZ       LYS  25  11.129   6.697  -5.058
  201    H    GLU  26           H        GLU  26   5.762   5.915   1.151
  202    HA   GLU  26           HA       GLU  26   6.275   3.572   2.781
  203   1HB   GLU  26          1HB       GLU  26   4.999   6.250   3.497
  204   2HB   GLU  26          2HB       GLU  26   5.533   5.019   4.653
  205   1HG   GLU  26          1HG       GLU  26   7.351   6.470   2.656
  206   2HG   GLU  26          2HG       GLU  26   7.140   6.819   4.367
  207    H    GLU  27           H        GLU  27   3.365   5.377   1.935
  208    HA   GLU  27           HA       GLU  27   1.484   3.605   3.102
  209   1HB   GLU  27          1HB       GLU  27   1.127   5.126   0.479
  210   2HB   GLU  27          2HB       GLU  27  -0.119   4.337   1.462
  211   1HG   GLU  27          1HG       GLU  27  -0.331   6.539   2.126
  212   2HG   GLU  27          2HG       GLU  27   0.637   5.834   3.419
  213    H    LEU  28           H        LEU  28   2.981   3.434  -0.251
  214    HA   LEU  28           HA       LEU  28   1.781   0.912  -0.820
  215   1HB   LEU  28          1HB       LEU  28   4.310   2.285  -1.766
  216   2HB   LEU  28          2HB       LEU  28   3.946   0.634  -2.295
  217    HG   LEU  28           HG       LEU  28   1.852   2.752  -2.400
  218   1HD1  LEU  28          1HD1      LEU  28   3.940   2.245  -4.533
  219   2HD1  LEU  28          2HD1      LEU  28   2.473   3.235  -4.743
  220   3HD1  LEU  28          3HD1      LEU  28   3.707   3.739  -3.572
  221   1HD2  LEU  28          1HD2      LEU  28   1.161   0.367  -2.867
  222   2HD2  LEU  28          2HD2      LEU  28   0.999   1.361  -4.321
  223   3HD2  LEU  28          3HD2      LEU  28   2.390   0.279  -4.140
  224    H    LYS  29           H        LYS  29   4.786   1.601   0.945
  225    HA   LYS  29           HA       LYS  29   5.574  -1.131   0.991
  226   1HB   LYS  29          1HB       LYS  29   6.883   0.998   1.614
  227   2HB   LYS  29          2HB       LYS  29   5.995   1.046   3.115
  228   1HG   LYS  29          1HG       LYS  29   6.986  -1.087   3.837
  229   2HG   LYS  29          2HG       LYS  29   7.730  -1.305   2.251
  230   1HD   LYS  29          1HD       LYS  29   9.451  -0.480   3.716
  231   2HD   LYS  29          2HD       LYS  29   9.028   0.806   2.569
  232   1HE   LYS  29          1HE       LYS  29   7.634   1.910   4.317
  233   2HE   LYS  29          2HE       LYS  29   8.041   0.614   5.457
  234   1HZ   LYS  29          1HZ       LYS  29   9.927   2.467   4.178
  235   2HZ   LYS  29          2HZ       LYS  29   9.381   2.568   5.724
  236   3HZ   LYS  29          3HZ       LYS  29  10.329   1.294   5.269
  237    H    LEU  30           H        LEU  30   3.726   0.784   3.339
  238    HA   LEU  30           HA       LEU  30   3.319  -1.451   5.067
  239   1HB   LEU  30          1HB       LEU  30   2.985   1.095   5.563
  240   2HB   LEU  30          2HB       LEU  30   1.362   0.848   4.906
  241    HG   LEU  30           HG       LEU  30   1.053  -0.999   6.645
  242   1HD1  LEU  30          1HD1      LEU  30   3.660   0.158   7.735
  243   2HD1  LEU  30          2HD1      LEU  30   2.547  -0.878   8.649
  244   3HD1  LEU  30          3HD1      LEU  30   3.380  -1.526   7.239
  245   1HD2  LEU  30          1HD2      LEU  30   0.174   1.320   6.915
  246   2HD2  LEU  30          2HD2      LEU  30   0.625   0.597   8.468
  247   3HD2  LEU  30          3HD2      LEU  30   1.691   1.795   7.699
  248    H    LEU  31           H        LEU  31   1.324  -0.140   2.462
  249    HA   LEU  31           HA       LEU  31  -0.871  -1.898   2.541
  250   1HB   LEU  31          1HB       LEU  31  -0.618   0.086   1.101
  251   2HB   LEU  31          2HB       LEU  31   0.558  -0.757   0.102
  252    HG   LEU  31           HG       LEU  31  -2.296  -1.709   0.466
  253   1HD1  LEU  31          1HD1      LEU  31  -1.088   0.132  -1.647
  254   2HD1  LEU  31          2HD1      LEU  31  -2.712  -0.566  -1.744
  255   3HD1  LEU  31          3HD1      LEU  31  -2.322   0.573  -0.448
  256   1HD2  LEU  31          3HD2      LEU  31  -0.156  -2.330  -1.625
  257   2HD2  LEU  31          1HD2      LEU  31  -0.927  -3.482  -0.511
  258   3HD2  LEU  31          2HD2      LEU  31  -1.867  -2.757  -1.802
  259    H    LEU  32           H        LEU  32   2.169  -2.251   0.753
  260    HA   LEU  32           HA       LEU  32   1.640  -4.866  -0.259
  261   1HB   LEU  32          1HB       LEU  32   4.224  -3.356   0.302
  262   2HB   LEU  32          2HB       LEU  32   4.188  -4.903  -0.552
  263    HG   LEU  32           HG       LEU  32   2.530  -2.554  -1.562
  264   1HD1  LEU  32          3HD1      LEU  32   4.884  -1.761  -1.350
  265   2HD1  LEU  32          1HD1      LEU  32   5.433  -3.170  -2.281
  266   3HD1  LEU  32          2HD1      LEU  32   4.396  -1.944  -3.041
  267   1HD2  LEU  32          1HD2      LEU  32   2.148  -4.834  -2.510
  268   2HD2  LEU  32          2HD2      LEU  32   2.792  -3.679  -3.696
  269   3HD2  LEU  32          3HD2      LEU  32   3.876  -4.872  -2.952
  270    H    GLN  33           H        GLN  33   3.592  -3.809   2.598
  271    HA   GLN  33           HA       GLN  33   4.325  -6.305   3.550
  272   1HB   GLN  33          1HB       GLN  33   5.130  -4.140   4.417
  273   2HB   GLN  33          2HB       GLN  33   3.554  -3.844   5.170
  274   1HG   GLN  33          1HG       GLN  33   3.866  -5.806   6.635
  275   2HG   GLN  33          2HG       GLN  33   5.413  -6.166   5.850
  276   1HE2  GLN  33          1HE2      GLN  33   7.085  -3.324   7.383
  277   2HE2  GLN  33          2HE2      GLN  33   7.028  -4.212   5.869
  278    H    THR  34           H        THR  34   1.273  -4.589   4.157
  279    HA   THR  34           HA       THR  34   0.310  -6.655   5.958
  280    HB   THR  34           HB       THR  34  -1.407  -4.628   4.497
  281    HG1  THR  34           HG1      THR  34   0.355  -3.593   5.572
  282   1HG2  THR  34          1HG2      THR  34  -1.641  -6.040   7.200
  283   2HG2  THR  34          2HG2      THR  34  -2.788  -4.841   6.589
  284   3HG2  THR  34          3HG2      THR  34  -2.621  -6.390   5.761
  285    H    GLU  35           H        GLU  35  -0.531  -5.770   2.552
  286    HA   GLU  35           HA       GLU  35  -2.458  -7.986   2.452
  287   1HB   GLU  35          1HB       GLU  35  -1.886  -5.507   0.765
  288   2HB   GLU  35          2HB       GLU  35  -3.053  -6.759   0.290
  289   1HG   GLU  35          1HG       GLU  35  -3.082  -5.115   2.873
  290   2HG   GLU  35          2HG       GLU  35  -3.988  -4.761   1.404
  291    H    PHE  36           H        PHE  36   0.658  -7.150   1.065
  292    HA   PHE  36           HA       PHE  36   0.757  -9.691  -0.461
  293   1HB   PHE  36          1HB       PHE  36   1.237  -6.959  -1.705
  294   2HB   PHE  36          2HB       PHE  36   1.405  -8.528  -2.471
  295    HD1  PHE  36           HD1      PHE  36  -0.707  -9.994  -2.732
  296    HD2  PHE  36           HD2      PHE  36  -0.790  -5.773  -1.859
  297    HE1  PHE  36           HE1      PHE  36  -2.924  -9.817  -3.831
  298    HE2  PHE  36           HE2      PHE  36  -3.024  -5.601  -2.991
  299    HZ   PHE  36           HZ       PHE  36  -4.062  -7.631  -3.980
  300    HA   PRO  37           HA       PRO  37   4.527  -7.963   1.763
  301   1HB   PRO  37          1HB       PRO  37   5.373 -10.301   3.025
  302   2HB   PRO  37          2HB       PRO  37   4.227  -9.112   3.701
  303   1HG   PRO  37          1HG       PRO  37   3.578 -11.679   2.241
  304   2HG   PRO  37          2HG       PRO  37   2.865 -11.064   3.763
  305   1HD   PRO  37          1HD       PRO  37   1.586 -10.746   1.409
  306   2HD   PRO  37          2HD       PRO  37   1.603  -9.402   2.583
  307    H    SER  38           H        SER  38   4.122 -10.723  -0.394
  308    HA   SER  38           HA       SER  38   6.827 -11.388  -0.974
  309   1HB   SER  38          1HB       SER  38   5.536 -12.053  -3.180
  310   2HB   SER  38          2HB       SER  38   5.136 -12.883  -1.660
  311    HG   SER  38           HG       SER  38   3.251 -12.111  -2.759
  312    H    LEU  39           H        LEU  39   4.451  -9.229  -2.450
  313    HA   LEU  39           HA       LEU  39   5.933  -8.427  -4.687
  314   1HB   LEU  39          1HB       LEU  39   3.708  -7.109  -3.171
  315   2HB   LEU  39          2HB       LEU  39   4.260  -6.524  -4.760
  316    HG   LEU  39           HG       LEU  39   3.052  -9.249  -4.154
  317   1HD1  LEU  39          3HD1      LEU  39   1.529  -7.147  -4.302
  318   2HD1  LEU  39          1HD1      LEU  39   1.991  -7.077  -6.007
  319   3HD1  LEU  39          2HD1      LEU  39   1.134  -8.497  -5.383
  320   1HD2  LEU  39          3HD2      LEU  39   4.155  -8.140  -6.766
  321   2HD2  LEU  39          1HD2      LEU  39   4.623  -9.646  -5.939
  322   3HD2  LEU  39          2HD2      LEU  39   3.029  -9.511  -6.677
  323    H    LEU  40           H        LEU  40   6.328  -7.281  -1.443
  324    HA   LEU  40           HA       LEU  40   7.632  -4.800  -1.862
  325   1HB   LEU  40          1HB       LEU  40   8.377  -7.112  -0.021
  326   2HB   LEU  40          2HB       LEU  40   9.120  -5.517   0.072
  327    HG   LEU  40           HG       LEU  40   6.134  -6.001   0.465
  328   1HD1  LEU  40          3HD1      LEU  40   7.460  -7.125   2.223
  329   2HD1  LEU  40          1HD1      LEU  40   8.359  -5.622   2.518
  330   3HD1  LEU  40          2HD1      LEU  40   6.620  -5.707   2.870
  331   1HD2  LEU  40          3HD2      LEU  40   7.950  -3.596   1.013
  332   2HD2  LEU  40          1HD2      LEU  40   6.653  -3.670  -0.196
  333   3HD2  LEU  40          2HD2      LEU  40   6.259  -3.728   1.527
  334    H    LYS  41           H        LYS  41   8.747  -8.086  -2.503
  335    HA   LYS  41           HA       LYS  41  11.259  -7.131  -3.783
  336   1HB   LYS  41          1HB       LYS  41  10.366  -9.849  -2.756
  337   2HB   LYS  41          2HB       LYS  41  11.921  -9.462  -3.485
  338   1HG   LYS  41          1HG       LYS  41  12.339  -7.793  -1.650
  339   2HG   LYS  41          2HG       LYS  41  10.853  -8.326  -0.854
  340   1HD   LYS  41          1HD       LYS  41  13.265 -10.099  -1.471
  341   2HD   LYS  41          2HD       LYS  41  12.894  -9.364   0.096
  342   1HE   LYS  41          1HE       LYS  41  10.707 -10.612   0.131
  343   2HE   LYS  41          2HE       LYS  41  11.193 -11.442  -1.361
  344   1HZ   LYS  41          3HZ       LYS  41  13.083 -12.304  -0.200
  345   2HZ   LYS  41          1HZ       LYS  41  12.631 -11.543   1.190
  346   3HZ   LYS  41          2HZ       LYS  41  11.684 -12.733   0.558
  347    H    GLY  42           H        GLY  42   8.482  -9.298  -4.066
  348   1HA   GLY  42          1HA       GLY  42   9.104 -10.600  -6.431
  349   2HA   GLY  42          2HA       GLY  42   7.465 -10.388  -5.793
  350    H    GLY  43           H        GLY  43   8.840 -10.208  -8.578
  351   1HA   GLY  43          1HA       GLY  43   8.129  -9.203 -10.547
  352   2HA   GLY  43          2HA       GLY  43   7.098  -8.092  -9.632
  353    H    SER  44           H        SER  44   8.712  -6.681  -7.976
  354    HA   SER  44           HA       SER  44  11.287  -5.999  -9.083
  355   1HB   SER  44          1HB       SER  44   8.824  -4.220  -9.361
  356   2HB   SER  44          2HB       SER  44  10.432  -3.543  -9.147
  357    HG   SER  44           HG       SER  44  10.018  -5.536 -11.100
  358    H    THR  45           H        THR  45  12.506  -4.959  -7.435
  359    HA   THR  45           HA       THR  45  11.611  -5.104  -4.730
  360    HB   THR  45           HB       THR  45  13.650  -3.518  -4.477
  361    HG1  THR  45           HG1      THR  45  13.421  -2.881  -6.768
  362   1HG2  THR  45          1HG2      THR  45  14.008  -6.204  -5.899
  363   2HG2  THR  45          2HG2      THR  45  15.258  -5.341  -4.984
  364   3HG2  THR  45          3HG2      THR  45  13.823  -5.967  -4.149
  365    H    LEU  46           H        LEU  46  10.818  -3.495  -3.413
  366    HA   LEU  46           HA       LEU  46   8.747  -2.068  -4.155
  367   1HB   LEU  46          1HB       LEU  46   9.359  -2.435  -1.814
  368   2HB   LEU  46          2HB       LEU  46  10.783  -1.404  -1.985
  369    HG   LEU  46           HG       LEU  46   9.301   0.598  -2.300
  370   1HD1  LEU  46          1HD1      LEU  46   7.116  -1.400  -1.601
  371   2HD1  LEU  46          2HD1      LEU  46   6.905   0.363  -1.655
  372   3HD1  LEU  46          3HD1      LEU  46   7.256  -0.529  -3.145
  373   1HD2  LEU  46          1HD2      LEU  46  10.248   0.021  -0.114
  374   2HD2  LEU  46          2HD2      LEU  46   8.637   0.742   0.042
  375   3HD2  LEU  46          3HD2      LEU  46   8.847  -1.017   0.226
  376    H    ASP  47           H        ASP  47  11.957  -0.629  -3.961
  377    HA   ASP  47           HA       ASP  47  11.091   2.014  -4.598
  378   1HB   ASP  47          1HB       ASP  47  13.833   0.690  -4.946
  379   2HB   ASP  47          2HB       ASP  47  13.512   2.420  -5.031
  380    H    GLU  48           H        GLU  48  12.179  -0.638  -6.649
  381    HA   GLU  48           HA       GLU  48  12.133   0.980  -9.098
  382   1HB   GLU  48          1HB       GLU  48  12.253  -2.049  -8.754
  383   2HB   GLU  48          2HB       GLU  48  12.582  -1.127 -10.229
  384   1HG   GLU  48          1HG       GLU  48  14.227  -1.079  -7.647
  385   2HG   GLU  48          2HG       GLU  48  14.686  -1.799  -9.190
  386    H    LEU  49           H        LEU  49  10.084  -1.337  -7.370
  387    HA   LEU  49           HA       LEU  49   8.041  -1.592  -9.290
  388   1HB   LEU  49          1HB       LEU  49   8.249  -3.012  -7.279
  389   2HB   LEU  49          2HB       LEU  49   7.863  -1.628  -6.256
  390    HG   LEU  49           HG       LEU  49   5.599  -1.500  -7.203
  391   1HD1  LEU  49          1HD1      LEU  49   6.415  -3.986  -8.782
  392   2HD1  LEU  49          2HD1      LEU  49   4.756  -3.384  -8.611
  393   3HD1  LEU  49          3HD1      LEU  49   5.951  -2.411  -9.470
  394   1HD2  LEU  49          1HD2      LEU  49   6.075  -2.872  -5.196
  395   2HD2  LEU  49          2HD2      LEU  49   4.756  -3.564  -6.154
  396   3HD2  LEU  49          3HD2      LEU  49   6.378  -4.282  -6.232
  397    H    PHE  50           H        PHE  50   8.488   0.776  -6.676
  398    HA   PHE  50           HA       PHE  50   6.157   2.296  -7.008
  399   1HB   PHE  50          1HB       PHE  50   7.801   2.538  -5.171
  400   2HB   PHE  50          2HB       PHE  50   8.978   3.202  -6.290
  401    HD1  PHE  50           HD1      PHE  50   5.635   3.833  -4.763
  402    HD2  PHE  50           HD2      PHE  50   8.969   5.559  -6.856
  403    HE1  PHE  50           HE1      PHE  50   4.986   6.049  -3.932
  404    HE2  PHE  50           HE2      PHE  50   8.310   7.802  -6.040
  405    HZ   PHE  50           HZ       PHE  50   6.375   8.054  -4.501
  406    H    GLU  51           H        GLU  51   9.345   2.797  -8.626
  407    HA   GLU  51           HA       GLU  51   8.486   4.928 -10.283
  408   1HB   GLU  51          1HB       GLU  51  10.607   2.804 -10.825
  409   2HB   GLU  51          2HB       GLU  51  10.405   4.304 -11.735
  410   1HG   GLU  51          1HG       GLU  51  11.080   4.128  -8.759
  411   2HG   GLU  51          2HG       GLU  51  12.217   4.470 -10.061
  412    H    GLU  52           H        GLU  52   8.517   1.428 -10.895
  413    HA   GLU  52           HA       GLU  52   7.462   1.539 -13.532
  414   1HB   GLU  52          1HB       GLU  52   7.253  -0.635 -11.410
  415   2HB   GLU  52          2HB       GLU  52   6.719  -0.843 -13.078
  416   1HG   GLU  52          1HG       GLU  52   9.581  -0.100 -12.315
  417   2HG   GLU  52          2HG       GLU  52   9.018  -1.747 -12.622
  418    H    LEU  53           H        LEU  53   5.744   1.467 -10.418
  419    HA   LEU  53           HA       LEU  53   3.119   1.282 -11.643
  420   1HB   LEU  53          1HB       LEU  53   4.050   2.159  -8.874
  421   2HB   LEU  53          2HB       LEU  53   2.379   1.960  -9.384
  422    HG   LEU  53           HG       LEU  53   4.429  -0.275  -9.191
  423   1HD1  LEU  53          3HD1      LEU  53   3.608   0.619  -7.026
  424   2HD1  LEU  53          1HD1      LEU  53   1.934   0.333  -7.555
  425   3HD1  LEU  53          2HD1      LEU  53   3.044  -1.032  -7.321
  426   1HD2  LEU  53          3HD2      LEU  53   1.515  -0.405 -10.011
  427   2HD2  LEU  53          1HD2      LEU  53   2.934  -0.799 -11.018
  428   3HD2  LEU  53          2HD2      LEU  53   2.566  -1.796  -9.624
  429    H    ASP  54           H        ASP  54   5.134   3.914 -10.452
  430    HA   ASP  54           HA       ASP  54   3.222   6.018 -10.782
  431   1HB   ASP  54          1HB       ASP  54   5.042   6.169  -9.210
  432   2HB   ASP  54          2HB       ASP  54   6.220   5.945 -10.492
  433    H    LYS  55           H        LYS  55   2.801   4.888 -13.131
  434    HA   LYS  55           HA       LYS  55   4.434   5.502 -15.327
  435   1HB   LYS  55          1HB       LYS  55   1.413   5.292 -15.193
  436   2HB   LYS  55          2HB       LYS  55   2.358   5.297 -16.681
  437   1HG   LYS  55          1HG       LYS  55   2.468   3.209 -14.458
  438   2HG   LYS  55          2HG       LYS  55   1.782   3.034 -16.070
  439   1HD   LYS  55          1HD       LYS  55   4.732   3.324 -15.369
  440   2HD   LYS  55          2HD       LYS  55   3.900   1.883 -15.924
  441   1HE   LYS  55          1HE       LYS  55   3.383   3.019 -18.101
  442   2HE   LYS  55          2HE       LYS  55   4.314   4.431 -17.563
  443   1HZ   LYS  55          3HZ       LYS  55   6.227   3.035 -17.370
  444   2HZ   LYS  55          1HZ       LYS  55   5.376   1.720 -17.881
  445   3HZ   LYS  55          2HZ       LYS  55   5.623   2.990 -18.902
  446    H    ASN  56           H        ASN  56   2.096   7.558 -13.671
  447    HA   ASN  56           HA       ASN  56   2.165   9.634 -15.680
  448   1HB   ASN  56          1HB       ASN  56   0.665  10.765 -14.463
  449   2HB   ASN  56          2HB       ASN  56   0.378   9.178 -13.765
  450   1HD2  ASN  56          1HD2      ASN  56   2.074  10.119 -10.653
  451   2HD2  ASN  56          2HD2      ASN  56   1.999   8.788 -11.806
  452    H    GLY  57           H        GLY  57   4.496   8.707 -13.310
  453   1HA   GLY  57          1HA       GLY  57   6.575   9.500 -13.029
  454   2HA   GLY  57          2HA       GLY  57   6.266  10.647 -14.329
  455    H    ASP  58           H        ASP  58   4.069  11.067 -11.590
  456    HA   ASP  58           HA       ASP  58   5.438  13.530 -10.885
  457   1HB   ASP  58          1HB       ASP  58   3.659  13.999  -9.548
  458   2HB   ASP  58          2HB       ASP  58   2.901  13.107 -10.849
  459    H    GLY  59           H        GLY  59   5.187  10.240  -9.636
  460   1HA   GLY  59          1HA       GLY  59   7.310   9.578  -8.369
  461   2HA   GLY  59          2HA       GLY  59   6.842  10.860  -7.233
  462    H    GLU  60           H        GLU  60   4.310  10.785  -6.794
  463    HA   GLU  60           HA       GLU  60   4.012   8.226  -5.360
  464   1HB   GLU  60          1HB       GLU  60   2.289  10.742  -5.393
  465   2HB   GLU  60          2HB       GLU  60   2.124   9.374  -4.270
  466   1HG   GLU  60          1HG       GLU  60   4.558   9.848  -3.584
  467   2HG   GLU  60          2HG       GLU  60   4.417  11.368  -4.478
  468    H    VAL  61           H        VAL  61   2.026   6.973  -5.467
  469    HA   VAL  61           HA       VAL  61   1.345   6.625  -8.336
  470    HB   VAL  61           HB       VAL  61   1.051   4.632  -6.075
  471   1HG1  VAL  61          3HG1      VAL  61   0.020   4.216  -8.401
  472   2HG1  VAL  61          1HG1      VAL  61   1.708   4.194  -8.996
  473   3HG1  VAL  61          2HG1      VAL  61   1.155   2.999  -7.798
  474   1HG2  VAL  61          3HG2      VAL  61   3.515   5.293  -7.748
  475   2HG2  VAL  61          1HG2      VAL  61   3.399   5.282  -5.978
  476   3HG2  VAL  61          2HG2      VAL  61   3.314   3.766  -6.882
  477    H    SER  62           H        SER  62  -0.683   7.221  -9.025
  478    HA   SER  62           HA       SER  62  -2.895   7.614  -7.187
  479   1HB   SER  62          1HB       SER  62  -4.193   8.144  -9.170
  480   2HB   SER  62          2HB       SER  62  -2.650   8.980  -9.268
  481    HG   SER  62           HG       SER  62  -1.965   7.615 -10.794
  482    H    PHE  63           H        PHE  63  -5.007   6.466  -7.434
  483    HA   PHE  63           HA       PHE  63  -4.765   3.665  -7.389
  484   1HB   PHE  63          1HB       PHE  63  -6.662   4.876  -6.382
  485   2HB   PHE  63          2HB       PHE  63  -7.256   5.304  -7.990
  486    HD1  PHE  63           HD1      PHE  63  -6.249   2.282  -5.981
  487    HD2  PHE  63           HD2      PHE  63  -8.853   3.838  -9.037
  488    HE1  PHE  63           HE1      PHE  63  -7.548   0.197  -5.920
  489    HE2  PHE  63           HE2      PHE  63 -10.076   1.687  -9.074
  490    HZ   PHE  63           HZ       PHE  63  -9.468  -0.126  -7.475
  491    H    GLU  64           H        GLU  64  -5.293   5.803 -10.162
  492    HA   GLU  64           HA       GLU  64  -6.191   3.699 -11.902
  493   1HB   GLU  64          1HB       GLU  64  -4.803   6.337 -12.618
  494   2HB   GLU  64          2HB       GLU  64  -5.794   5.328 -13.688
  495   1HG   GLU  64          1HG       GLU  64  -6.702   6.974 -11.282
  496   2HG   GLU  64          2HG       GLU  64  -7.119   7.213 -12.978
  497    H    GLU  65           H        GLU  65  -2.970   5.363 -11.606
  498    HA   GLU  65           HA       GLU  65  -1.789   3.436 -13.397
  499   1HB   GLU  65          1HB       GLU  65   0.289   4.505 -12.993
  500   2HB   GLU  65          2HB       GLU  65  -0.987   5.712 -13.165
  501   1HG   GLU  65          1HG       GLU  65  -1.077   5.571 -10.518
  502   2HG   GLU  65          2HG       GLU  65   0.520   4.872 -10.697
  503    H    PHE  66           H        PHE  66  -2.212   3.494  -9.867
  504    HA   PHE  66           HA       PHE  66  -0.647   1.295  -9.075
  505   1HB   PHE  66          1HB       PHE  66  -1.800   2.526  -7.430
  506   2HB   PHE  66          2HB       PHE  66  -3.302   2.388  -8.327
  507    HD1  PHE  66           HD1      PHE  66  -1.007   0.369  -6.175
  508    HD2  PHE  66           HD2      PHE  66  -4.883   0.769  -7.974
  509    HE1  PHE  66           HE1      PHE  66  -1.907  -1.388  -4.652
  510    HE2  PHE  66           HE2      PHE  66  -5.729  -1.139  -6.663
  511    HZ   PHE  66           HZ       PHE  66  -4.285  -2.110  -4.844
  512    H    GLN  67           H        GLN  67  -3.586   1.276 -11.161
  513    HA   GLN  67           HA       GLN  67  -4.131  -1.495 -10.884
  514   1HB   GLN  67          1HB       GLN  67  -4.459   0.161 -13.414
  515   2HB   GLN  67          2HB       GLN  67  -5.165  -1.421 -13.082
  516   1HG   GLN  67          1HG       GLN  67  -5.889   1.209 -11.776
  517   2HG   GLN  67          2HG       GLN  67  -6.901   0.139 -12.733
  518   1HE2  GLN  67          1HE2      GLN  67  -6.883  -0.197  -8.749
  519   2HE2  GLN  67          2HE2      GLN  67  -6.313   1.182  -9.660
  520    H    VAL  68           H        VAL  68  -1.352   0.003 -12.427
  521    HA   VAL  68           HA       VAL  68  -0.561  -2.176 -14.084
  522    HB   VAL  68           HB       VAL  68   1.073  -0.152 -12.518
  523   1HG1  VAL  68          1HG1      VAL  68   1.966  -2.088 -14.701
  524   2HG1  VAL  68          2HG1      VAL  68   2.923  -0.724 -14.088
  525   3HG1  VAL  68          3HG1      VAL  68   2.533  -2.072 -13.018
  526   1HG2  VAL  68          1HG2      VAL  68  -0.425   0.778 -14.324
  527   2HG2  VAL  68          2HG2      VAL  68   1.293   0.950 -14.705
  528   3HG2  VAL  68          3HG2      VAL  68   0.335  -0.327 -15.480
  529    H    LEU  69           H        LEU  69  -0.513  -1.771 -10.543
  530    HA   LEU  69           HA       LEU  69   1.254  -4.006 -10.053
  531   1HB   LEU  69          1HB       LEU  69   0.716  -2.139  -8.374
  532   2HB   LEU  69          2HB       LEU  69  -0.913  -2.786  -8.266
  533    HG   LEU  69           HG       LEU  69   0.049  -4.977  -7.446
  534   1HD1  LEU  69          1HD1      LEU  69   2.607  -3.320  -7.377
  535   2HD1  LEU  69          2HD1      LEU  69   2.382  -4.837  -6.496
  536   3HD1  LEU  69          3HD1      LEU  69   2.353  -4.839  -8.264
  537   1HD2  LEU  69          3HD2      LEU  69   0.672  -2.471  -5.832
  538   2HD2  LEU  69          1HD2      LEU  69  -0.894  -3.311  -5.923
  539   3HD2  LEU  69          2HD2      LEU  69   0.496  -4.117  -5.181
  540    H    VAL  70           H        VAL  70  -2.285  -3.461 -10.100
  541    HA   VAL  70           HA       VAL  70  -3.028  -6.113  -9.401
  542    HB   VAL  70           HB       VAL  70  -4.628  -4.120 -11.087
  543   1HG1  VAL  70          1HG1      VAL  70  -5.493  -6.377  -9.223
  544   2HG1  VAL  70          2HG1      VAL  70  -6.576  -5.244 -10.060
  545   3HG1  VAL  70          3HG1      VAL  70  -5.610  -6.391 -10.996
  546   1HG2  VAL  70          3HG2      VAL  70  -4.220  -4.340  -8.084
  547   2HG2  VAL  70          1HG2      VAL  70  -3.937  -2.917  -9.090
  548   3HG2  VAL  70          2HG2      VAL  70  -5.589  -3.464  -8.811
  549    H    LYS  71           H        LYS  71  -2.397  -4.568 -12.554
  550    HA   LYS  71           HA       LYS  71  -2.932  -6.780 -14.223
  551   1HB   LYS  71          1HB       LYS  71  -2.554  -4.621 -15.175
  552   2HB   LYS  71          2HB       LYS  71  -0.967  -4.486 -14.428
  553   1HG   LYS  71          1HG       LYS  71  -0.752  -4.925 -16.787
  554   2HG   LYS  71          2HG       LYS  71  -0.050  -6.230 -15.826
  555   1HD   LYS  71          1HD       LYS  71  -2.023  -7.654 -16.258
  556   2HD   LYS  71          2HD       LYS  71  -2.863  -6.302 -17.048
  557   1HE   LYS  71          1HE       LYS  71  -1.166  -6.267 -18.840
  558   2HE   LYS  71          2HE       LYS  71  -0.257  -7.556 -18.031
  559   1HZ   LYS  71          1HZ       LYS  71  -2.986  -7.792 -19.085
  560   2HZ   LYS  71          2HZ       LYS  71  -1.622  -8.400 -19.781
  561   3HZ   LYS  71          3HZ       LYS  71  -2.141  -8.992 -18.333
  562    H    LYS  72           H        LYS  72   0.192  -5.823 -12.780
  563    HA   LYS  72           HA       LYS  72   1.610  -8.166 -13.401
  564   1HB   LYS  72          1HB       LYS  72   1.921  -6.081 -11.270
  565   2HB   LYS  72          2HB       LYS  72   2.731  -7.624 -11.008
  566   1HG   LYS  72          1HG       LYS  72   4.277  -6.179 -12.075
  567   2HG   LYS  72          2HG       LYS  72   3.841  -7.466 -13.208
  568   1HD   LYS  72          1HD       LYS  72   2.209  -5.866 -14.301
  569   2HD   LYS  72          2HD       LYS  72   2.795  -4.597 -13.210
  570   1HE   LYS  72          1HE       LYS  72   4.486  -6.131 -15.242
  571   2HE   LYS  72          2HE       LYS  72   3.836  -4.500 -15.463
  572   1HZ   LYS  72          3HZ       LYS  72   5.123  -3.788 -13.578
  573   2HZ   LYS  72          1HZ       LYS  72   5.758  -5.298 -13.394
  574   3HZ   LYS  72          2HZ       LYS  72   6.089  -4.425 -14.750
  575    H    ILE  73           H        ILE  73  -0.481  -7.694 -10.561
  576    HA   ILE  73           HA       ILE  73  -0.076 -10.291  -9.440
  577    HB   ILE  73           HB       ILE  73  -2.567  -8.543  -9.333
  578   1HG1  ILE  73          1HG1      ILE  73  -0.283  -8.959  -7.350
  579   2HG1  ILE  73          2HG1      ILE  73  -0.532  -7.524  -8.346
  580   1HG2  ILE  73          3HG2      ILE  73  -3.128 -10.921  -8.853
  581   2HG2  ILE  73          1HG2      ILE  73  -1.838 -10.963  -7.633
  582   3HG2  ILE  73          2HG2      ILE  73  -3.267  -9.927  -7.422
  583   1HD1  ILE  73          3HD1      ILE  73  -2.728  -7.129  -7.224
  584   2HD1  ILE  73          1HD1      ILE  73  -2.328  -8.450  -6.102
  585   3HD1  ILE  73          2HD1      ILE  73  -1.311  -7.008  -6.163
  586    H    SER  74           H        SER  74  -2.461  -9.152 -11.801
  587    HA   SER  74           HA       SER  74  -3.791 -11.613 -12.226
  588   1HB   SER  74          1HB       SER  74  -3.370  -9.423 -14.302
  589   2HB   SER  74          2HB       SER  74  -4.633 -10.660 -14.279
  590    HG   SER  74           HG       SER  74  -4.256  -8.607 -12.333
  591    H    GLN  75           H        GLN  75  -0.890 -10.273 -13.760
  592    HA   GLN  75           HA       GLN  75  -0.368 -12.588 -15.462
  593   1HB   GLN  75          1HB       GLN  75   1.551 -10.513 -14.312
  594   2HB   GLN  75          2HB       GLN  75   1.947 -11.715 -15.539
  595   1HG   GLN  75          1HG       GLN  75   0.365 -10.704 -17.113
  596   2HG   GLN  75          2HG       GLN  75  -0.175  -9.553 -15.887
  597   1HE2  GLN  75          1HE2      GLN  75   3.561  -9.044 -17.579
  598   2HE2  GLN  75          2HE2      GLN  75   2.836 -10.641 -17.566
   
  No H/Q in entry =         598
  Start of MODEL           2
 Raw file had  599 H/Q atoms
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  -7.244 -11.137  -5.012
    2   2H    LYS   1          2H        LYS   1  -6.097  -9.921  -4.829
    3   3H    LYS   1          3H        LYS   1  -6.487 -10.913  -3.527
    4    HA   LYS   1           HA       LYS   1  -8.683 -10.038  -3.421
    5   1HB   LYS   1          1HB       LYS   1  -6.557  -7.888  -3.505
    6   2HB   LYS   1          2HB       LYS   1  -8.137  -7.810  -2.711
    7   1HG   LYS   1          1HG       LYS   1  -7.330 -10.063  -1.532
    8   2HG   LYS   1          2HG       LYS   1  -5.730  -9.462  -1.971
    9   1HD   LYS   1          1HD       LYS   1  -6.496  -7.224  -0.855
   10   2HD   LYS   1          2HD       LYS   1  -7.914  -8.142  -0.317
   11   1HE   LYS   1          1HE       LYS   1  -6.234  -8.034   1.483
   12   2HE   LYS   1          2HE       LYS   1  -6.405  -9.709   0.928
   13   1HZ   LYS   1          1HZ       LYS   1  -4.294  -7.844   0.077
   14   2HZ   LYS   1          2HZ       LYS   1  -4.095  -9.023   1.199
   15   3HZ   LYS   1          3HZ       LYS   1  -4.418  -9.421  -0.361
   16    H    SER   2           H        SER   2 -10.330  -8.767  -4.390
   17    HA   SER   2           HA       SER   2 -10.231  -8.551  -7.247
   18   1HB   SER   2          1HB       SER   2 -12.502  -7.567  -6.970
   19   2HB   SER   2          2HB       SER   2 -12.309  -9.031  -6.000
   20    HG   SER   2           HG       SER   2 -12.143  -7.818  -4.189
   21    HA   PRO   3           HA       PRO   3  -8.915  -4.266  -7.937
   22   1HB   PRO   3          1HB       PRO   3 -11.606  -4.015  -9.299
   23   2HB   PRO   3          2HB       PRO   3 -10.027  -3.358  -9.818
   24   1HG   PRO   3          1HG       PRO   3 -10.929  -5.648 -10.934
   25   2HG   PRO   3          2HG       PRO   3  -9.231  -5.562 -10.380
   26   1HD   PRO   3          1HD       PRO   3 -11.590  -6.824  -8.976
   27   2HD   PRO   3          2HD       PRO   3  -9.924  -7.446  -9.182
   28    H    GLU   4           H        GLU   4 -12.297  -4.875  -6.899
   29    HA   GLU   4           HA       GLU   4 -12.799  -2.345  -5.723
   30   1HB   GLU   4          1HB       GLU   4 -14.525  -4.046  -6.320
   31   2HB   GLU   4          2HB       GLU   4 -13.958  -5.071  -4.988
   32   1HG   GLU   4          1HG       GLU   4 -14.567  -3.279  -3.367
   33   2HG   GLU   4          2HG       GLU   4 -15.092  -2.249  -4.709
   34    H    GLU   5           H        GLU   5 -11.502  -5.369  -4.352
   35    HA   GLU   5           HA       GLU   5 -11.284  -4.360  -1.640
   36   1HB   GLU   5          1HB       GLU   5  -9.966  -6.627  -3.158
   37   2HB   GLU   5          2HB       GLU   5  -9.563  -6.264  -1.470
   38   1HG   GLU   5          1HG       GLU   5 -11.770  -6.735  -0.704
   39   2HG   GLU   5          2HG       GLU   5 -12.437  -6.746  -2.339
   40    H    LEU   6           H        LEU   6  -9.100  -4.562  -4.427
   41    HA   LEU   6           HA       LEU   6  -6.828  -3.430  -3.193
   42   1HB   LEU   6          1HB       LEU   6  -7.748  -3.587  -6.083
   43   2HB   LEU   6          2HB       LEU   6  -6.241  -2.857  -5.631
   44    HG   LEU   6           HG       LEU   6  -6.946  -5.599  -4.520
   45   1HD1  LEU   6          3HD1      LEU   6  -7.224  -5.860  -6.965
   46   2HD1  LEU   6          1HD1      LEU   6  -5.570  -5.253  -7.193
   47   3HD1  LEU   6          2HD1      LEU   6  -5.844  -6.761  -6.305
   48   1HD2  LEU   6          3HD2      LEU   6  -4.310  -4.230  -5.310
   49   2HD2  LEU   6          1HD2      LEU   6  -4.896  -4.435  -3.648
   50   3HD2  LEU   6          2HD2      LEU   6  -4.438  -5.845  -4.622
   51    H    LYS   7           H        LYS   7  -9.547  -1.816  -4.883
   52    HA   LYS   7           HA       LYS   7  -8.567   0.823  -4.479
   53   1HB   LYS   7          1HB       LYS   7 -10.520   0.223  -5.921
   54   2HB   LYS   7          2HB       LYS   7 -11.462  -0.174  -4.504
   55   1HG   LYS   7          1HG       LYS   7 -12.054   2.007  -5.402
   56   2HG   LYS   7          2HG       LYS   7 -11.493   2.116  -3.734
   57   1HD   LYS   7          1HD       LYS   7  -9.314   2.972  -4.450
   58   2HD   LYS   7          2HD       LYS   7  -9.721   2.703  -6.149
   59   1HE   LYS   7          1HE       LYS   7 -11.211   4.633  -4.317
   60   2HE   LYS   7          2HE       LYS   7  -9.889   5.085  -5.405
   61   1HZ   LYS   7          3HZ       LYS   7 -11.197   4.292  -7.236
   62   2HZ   LYS   7          1HZ       LYS   7 -12.446   3.913  -6.230
   63   3HZ   LYS   7          2HZ       LYS   7 -11.984   5.482  -6.411
   64    H    GLY   8           H        GLY   8 -10.738  -1.117  -2.459
   65   1HA   GLY   8          1HA       GLY   8 -11.134   0.671  -0.319
   66   2HA   GLY   8          2HA       GLY   8 -11.051  -1.092  -0.132
   67    H    ILE   9           H        ILE   9  -8.567  -1.750  -0.647
   68    HA   ILE   9           HA       ILE   9  -6.922  -1.194   1.604
   69    HB   ILE   9           HB       ILE   9  -6.363  -2.311  -1.146
   70   1HG1  ILE   9          1HG1      ILE   9  -8.022  -3.355   0.683
   71   2HG1  ILE   9          2HG1      ILE   9  -6.990  -4.351  -0.352
   72   1HG2  ILE   9          1HG2      ILE   9  -4.586  -2.231   1.304
   73   2HG2  ILE   9          2HG2      ILE   9  -4.336  -3.322  -0.082
   74   3HG2  ILE   9          3HG2      ILE   9  -4.272  -1.574  -0.310
   75   1HD1  ILE   9          1HD1      ILE   9  -6.263  -3.502   2.482
   76   2HD1  ILE   9          2HD1      ILE   9  -7.091  -5.014   2.060
   77   3HD1  ILE   9          3HD1      ILE   9  -5.462  -4.726   1.448
   78    H    PHE  10           H        PHE  10  -6.669  -0.032  -1.819
   79    HA   PHE  10           HA       PHE  10  -4.449   1.616  -1.540
   80   1HB   PHE  10          1HB       PHE  10  -5.603   0.983  -3.686
   81   2HB   PHE  10          2HB       PHE  10  -6.915   2.045  -3.270
   82    HD1  PHE  10           HD1      PHE  10  -6.570   4.523  -3.086
   83    HD2  PHE  10           HD2      PHE  10  -3.551   1.855  -4.651
   84    HE1  PHE  10           HE1      PHE  10  -5.337   6.422  -3.959
   85    HE2  PHE  10           HE2      PHE  10  -2.329   3.814  -5.578
   86    HZ   PHE  10           HZ       PHE  10  -3.196   6.099  -5.193
   87    H    GLU  11           H        GLU  11  -7.907   2.400  -0.999
   88    HA   GLU  11           HA       GLU  11  -7.484   5.156  -0.301
   89   1HB   GLU  11          1HB       GLU  11  -9.755   3.223   0.310
   90   2HB   GLU  11          2HB       GLU  11  -9.778   4.943   0.728
   91   1HG   GLU  11          1HG       GLU  11  -9.540   5.587  -1.616
   92   2HG   GLU  11          2HG       GLU  11  -9.389   3.901  -2.114
   93    H    LYS  12           H        LYS  12  -7.934   2.211   1.719
   94    HA   LYS  12           HA       LYS  12  -7.742   3.273   4.273
   95   1HB   LYS  12          1HB       LYS  12  -8.203   0.982   4.063
   96   2HB   LYS  12          2HB       LYS  12  -6.787   0.663   3.066
   97   1HG   LYS  12          1HG       LYS  12  -5.265   0.921   4.891
   98   2HG   LYS  12          2HG       LYS  12  -6.590   1.409   5.989
   99   1HD   LYS  12          1HD       LYS  12  -7.641  -0.848   5.615
  100   2HD   LYS  12          2HD       LYS  12  -6.282  -1.279   4.559
  101   1HE   LYS  12          1HE       LYS  12  -4.724  -0.840   6.528
  102   2HE   LYS  12          2HE       LYS  12  -6.161  -0.626   7.539
  103   1HZ   LYS  12          3HZ       LYS  12  -6.794  -2.876   6.939
  104   2HZ   LYS  12          1HZ       LYS  12  -5.403  -3.062   6.068
  105   3HZ   LYS  12          2HZ       LYS  12  -5.330  -2.828   7.691
  106    H    TYR  13           H        TYR  13  -4.979   2.342   2.167
  107    HA   TYR  13           HA       TYR  13  -3.067   3.339   4.161
  108   1HB   TYR  13          1HB       TYR  13  -2.772   2.164   1.415
  109   2HB   TYR  13          2HB       TYR  13  -1.412   2.798   2.348
  110    HD1  TYR  13           HD2      TYR  13  -0.941   1.925   4.628
  111    HD2  TYR  13           HD1      TYR  13  -3.939   0.107   2.204
  112    HE1  TYR  13           HE2      TYR  13  -0.869  -0.117   6.065
  113    HE2  TYR  13           HE1      TYR  13  -4.039  -1.822   3.655
  114    HH   TYR  13           HH       TYR  13  -1.744  -2.220   6.430
  115    H    ALA  14           H        ALA  14  -4.194   4.517   0.989
  116    HA   ALA  14           HA       ALA  14  -2.468   6.763   0.798
  117   1HB   ALA  14          3HB       ALA  14  -3.801   5.885  -1.079
  118   2HB   ALA  14          1HB       ALA  14  -5.290   6.393  -0.257
  119   3HB   ALA  14          2HB       ALA  14  -4.120   7.602  -0.829
  120    H    ALA  15           H        ALA  15  -5.652   6.465   2.311
  121    HA   ALA  15           HA       ALA  15  -6.094   9.107   3.122
  122   1HB   ALA  15          3HB       ALA  15  -7.743   7.306   3.411
  123   2HB   ALA  15          1HB       ALA  15  -6.698   6.530   4.632
  124   3HB   ALA  15          2HB       ALA  15  -7.424   8.116   4.960
  125    H    LYS  16           H        LYS  16  -3.738   6.741   4.373
  126    HA   LYS  16           HA       LYS  16  -3.322   8.033   6.883
  127   1HB   LYS  16          1HB       LYS  16  -2.786   5.628   6.100
  128   2HB   LYS  16          2HB       LYS  16  -1.264   6.312   5.484
  129   1HG   LYS  16          1HG       LYS  16  -0.819   7.207   7.800
  130   2HG   LYS  16          2HG       LYS  16  -2.286   6.387   8.358
  131   1HD   LYS  16          1HD       LYS  16   0.219   5.085   7.197
  132   2HD   LYS  16          2HD       LYS  16  -0.319   5.042   8.878
  133   1HE   LYS  16          1HE       LYS  16  -2.399   3.807   8.120
  134   2HE   LYS  16          2HE       LYS  16  -1.708   3.737   6.485
  135   1HZ   LYS  16          1HZ       LYS  16  -0.480   2.591   8.880
  136   2HZ   LYS  16          2HZ       LYS  16  -1.272   1.762   7.695
  137   3HZ   LYS  16          3HZ       LYS  16   0.137   2.544   7.351
  138    H    GLU  17           H        GLU  17  -2.029   8.517   3.602
  139    HA   GLU  17           HA       GLU  17  -0.006  10.495   4.461
  140   1HB   GLU  17          1HB       GLU  17  -1.228   9.716   1.770
  141   2HB   GLU  17          2HB       GLU  17  -0.299  11.194   1.955
  142   1HG   GLU  17          1HG       GLU  17   0.759   8.442   2.657
  143   2HG   GLU  17          2HG       GLU  17   1.012   9.250   1.105
  144    H    GLY  18           H        GLY  18  -3.251  10.374   3.073
  145   1HA   GLY  18          1HA       GLY  18  -4.721  12.025   4.519
  146   2HA   GLY  18          2HA       GLY  18  -3.752  13.256   3.688
  147    H    ASP  19           H        ASP  19  -3.436  12.527   1.209
  148    HA   ASP  19           HA       ASP  19  -6.016  12.893   0.019
  149   1HB   ASP  19          1HB       ASP  19  -4.064  13.858  -1.018
  150   2HB   ASP  19          2HB       ASP  19  -3.300  12.266  -1.180
  151    HA   PRO  20           HA       PRO  20  -6.731   8.370   0.252
  152   1HB   PRO  20          1HB       PRO  20  -9.145   8.312  -1.109
  153   2HB   PRO  20          2HB       PRO  20  -8.975   8.675   0.643
  154   1HG   PRO  20          1HG       PRO  20  -9.240  10.577  -1.695
  155   2HG   PRO  20          2HG       PRO  20 -10.076  10.660  -0.117
  156   1HD   PRO  20          1HD       PRO  20  -7.923  12.171  -0.646
  157   2HD   PRO  20          2HD       PRO  20  -8.118  11.432   0.969
  158    H    ASN  21           H        ASN  21  -6.652  10.409  -2.597
  159    HA   ASN  21           HA       ASN  21  -6.913   8.292  -4.550
  160   1HB   ASN  21          1HB       ASN  21  -6.051  11.182  -4.849
  161   2HB   ASN  21          2HB       ASN  21  -6.572  10.102  -6.139
  162   1HD2  ASN  21          1HD2      ASN  21  -9.342  12.085  -3.945
  163   2HD2  ASN  21          2HD2      ASN  21  -7.622  12.241  -3.600
  164    H    GLN  22           H        GLN  22  -4.226   9.121  -2.613
  165    HA   GLN  22           HA       GLN  22  -2.327   8.173  -4.697
  166   1HB   GLN  22          1HB       GLN  22  -2.710  10.577  -4.959
  167   2HB   GLN  22          2HB       GLN  22  -2.188  10.858  -3.296
  168   1HG   GLN  22          1HG       GLN  22   0.048  10.274  -3.822
  169   2HG   GLN  22          2HG       GLN  22  -0.410   9.432  -5.319
  170   1HE2  GLN  22          1HE2      GLN  22   0.429  13.379  -5.533
  171   2HE2  GLN  22          2HE2      GLN  22   0.681  12.470  -4.051
  172    H    LEU  23           H        LEU  23  -0.850   6.750  -3.913
  173    HA   LEU  23           HA       LEU  23  -0.385   6.539  -0.998
  174   1HB   LEU  23          1HB       LEU  23   0.363   4.769  -3.349
  175   2HB   LEU  23          2HB       LEU  23   0.751   4.469  -1.671
  176    HG   LEU  23           HG       LEU  23  -2.127   4.695  -2.592
  177   1HD1  LEU  23          3HD1      LEU  23  -0.957   2.867  -3.824
  178   2HD1  LEU  23          1HD1      LEU  23  -0.350   2.242  -2.280
  179   3HD1  LEU  23          2HD1      LEU  23  -2.087   2.207  -2.617
  180   1HD2  LEU  23          1HD2      LEU  23  -1.576   4.874  -0.108
  181   2HD2  LEU  23          2HD2      LEU  23  -2.581   3.478  -0.538
  182   3HD2  LEU  23          3HD2      LEU  23  -0.853   3.260  -0.211
  183    H    SER  24           H        SER  24   1.630   6.955  -0.101
  184    HA   SER  24           HA       SER  24   3.861   7.921  -1.746
  185   1HB   SER  24          1HB       SER  24   4.934   8.196   0.461
  186   2HB   SER  24          2HB       SER  24   3.328   8.908   0.452
  187    HG   SER  24           HG       SER  24   3.357   7.668   2.270
  188    H    LYS  25           H        LYS  25   6.079   6.842  -1.113
  189    HA   LYS  25           HA       LYS  25   6.105   4.096  -1.831
  190   1HB   LYS  25          1HB       LYS  25   8.152   5.774  -0.271
  191   2HB   LYS  25          2HB       LYS  25   8.450   4.133  -0.855
  192   1HG   LYS  25          1HG       LYS  25   8.099   4.870  -3.171
  193   2HG   LYS  25          2HG       LYS  25   7.746   6.507  -2.604
  194   1HD   LYS  25          1HD       LYS  25   9.909   6.873  -3.107
  195   2HD   LYS  25          2HD       LYS  25  10.205   6.218  -1.494
  196   1HE   LYS  25          1HE       LYS  25  10.296   4.702  -4.162
  197   2HE   LYS  25          2HE       LYS  25  11.696   5.230  -3.216
  198   1HZ   LYS  25          3HZ       LYS  25  10.966   3.795  -1.444
  199   2HZ   LYS  25          1HZ       LYS  25   9.701   3.262  -2.358
  200   3HZ   LYS  25          2HZ       LYS  25  11.251   2.953  -2.831
  201    H    GLU  26           H        GLU  26   6.172   5.785   1.291
  202    HA   GLU  26           HA       GLU  26   6.549   3.487   2.910
  203   1HB   GLU  26          1HB       GLU  26   5.003   5.999   3.774
  204   2HB   GLU  26          2HB       GLU  26   5.931   4.881   4.769
  205   1HG   GLU  26          1HG       GLU  26   7.339   6.633   4.648
  206   2HG   GLU  26          2HG       GLU  26   7.986   5.697   3.296
  207    H    GLU  27           H        GLU  27   3.593   5.266   2.112
  208    HA   GLU  27           HA       GLU  27   1.858   3.364   3.382
  209   1HB   GLU  27          1HB       GLU  27   1.466   5.517   1.335
  210   2HB   GLU  27          2HB       GLU  27   0.188   4.319   1.552
  211   1HG   GLU  27          1HG       GLU  27  -0.068   6.349   3.031
  212   2HG   GLU  27          2HG       GLU  27  -0.093   4.788   3.848
  213    H    LEU  28           H        LEU  28   3.136   3.331  -0.046
  214    HA   LEU  28           HA       LEU  28   1.928   0.806  -0.590
  215   1HB   LEU  28          1HB       LEU  28   4.445   2.160  -1.594
  216   2HB   LEU  28          2HB       LEU  28   4.049   0.513  -2.110
  217    HG   LEU  28           HG       LEU  28   1.982   2.663  -2.174
  218   1HD1  LEU  28          1HD1      LEU  28   4.045   2.122  -4.328
  219   2HD1  LEU  28          2HD1      LEU  28   2.575   3.111  -4.534
  220   3HD1  LEU  28          3HD1      LEU  28   3.821   3.624  -3.381
  221   1HD2  LEU  28          1HD2      LEU  28   1.254   0.280  -2.630
  222   2HD2  LEU  28          2HD2      LEU  28   1.082   1.272  -4.085
  223   3HD2  LEU  28          3HD2      LEU  28   2.463   0.176  -3.919
  224    H    LYS  29           H        LYS  29   4.979   1.471   1.133
  225    HA   LYS  29           HA       LYS  29   5.724  -1.293   1.165
  226   1HB   LYS  29          1HB       LYS  29   7.105   0.786   1.773
  227   2HB   LYS  29          2HB       LYS  29   6.212   0.883   3.268
  228   1HG   LYS  29          1HG       LYS  29   7.013  -1.421   3.882
  229   2HG   LYS  29          2HG       LYS  29   8.055  -1.413   2.455
  230   1HD   LYS  29          1HD       LYS  29   8.037   0.792   4.566
  231   2HD   LYS  29          2HD       LYS  29   9.047  -0.650   4.760
  232   1HE   LYS  29          1HE       LYS  29   9.247   1.332   2.437
  233   2HE   LYS  29          2HE       LYS  29  10.294   1.306   3.860
  234   1HZ   LYS  29          3HZ       LYS  29  10.996  -0.888   3.264
  235   2HZ   LYS  29          1HZ       LYS  29  10.041  -0.879   1.922
  236   3HZ   LYS  29          2HZ       LYS  29  11.298   0.176   2.043
  237    H    LEU  30           H        LEU  30   3.967   0.683   3.524
  238    HA   LEU  30           HA       LEU  30   3.425  -1.493   5.311
  239   1HB   LEU  30          1HB       LEU  30   1.863   1.087   4.881
  240   2HB   LEU  30          2HB       LEU  30   1.636  -0.017   6.249
  241    HG   LEU  30           HG       LEU  30   4.199   1.527   5.629
  242   1HD1  LEU  30          3HD1      LEU  30   2.291   2.914   6.424
  243   2HD1  LEU  30          1HD1      LEU  30   2.162   1.877   7.863
  244   3HD1  LEU  30          2HD1      LEU  30   3.622   2.850   7.590
  245   1HD2  LEU  30          3HD2      LEU  30   3.492  -0.335   7.939
  246   2HD2  LEU  30          1HD2      LEU  30   4.809  -0.544   6.761
  247   3HD2  LEU  30          2HD2      LEU  30   4.876   0.778   7.927
  248    H    LEU  31           H        LEU  31   1.488  -0.192   2.651
  249    HA   LEU  31           HA       LEU  31  -0.728  -1.917   2.794
  250   1HB   LEU  31          1HB       LEU  31  -0.469   0.027   1.322
  251   2HB   LEU  31          2HB       LEU  31   0.699  -0.832   0.332
  252    HG   LEU  31           HG       LEU  31  -2.151  -1.789   0.706
  253   1HD1  LEU  31          1HD1      LEU  31  -0.966   0.100  -1.376
  254   2HD1  LEU  31          2HD1      LEU  31  -2.577  -0.621  -1.506
  255   3HD1  LEU  31          3HD1      LEU  31  -2.220   0.500  -0.184
  256   1HD2  LEU  31          3HD2      LEU  31  -0.042  -2.314  -1.451
  257   2HD2  LEU  31          1HD2      LEU  31  -0.698  -3.502  -0.307
  258   3HD2  LEU  31          2HD2      LEU  31  -1.738  -2.828  -1.556
  259    H    LEU  32           H        LEU  32   2.305  -2.356   0.993
  260    HA   LEU  32           HA       LEU  32   1.758  -4.988   0.051
  261   1HB   LEU  32          1HB       LEU  32   4.374  -3.560   0.667
  262   2HB   LEU  32          2HB       LEU  32   4.319  -5.157  -0.075
  263    HG   LEU  32           HG       LEU  32   2.836  -2.816  -1.330
  264   1HD1  LEU  32          1HD1      LEU  32   5.731  -3.660  -1.806
  265   2HD1  LEU  32          2HD1      LEU  32   4.822  -2.469  -2.762
  266   3HD1  LEU  32          3HD1      LEU  32   5.195  -2.138  -1.064
  267   1HD2  LEU  32          3HD2      LEU  32   4.020  -5.384  -2.445
  268   2HD2  LEU  32          1HD2      LEU  32   2.289  -5.092  -2.145
  269   3HD2  LEU  32          2HD2      LEU  32   3.149  -4.145  -3.372
  270    H    GLN  33           H        GLN  33   3.732  -3.996   2.873
  271    HA   GLN  33           HA       GLN  33   4.354  -6.529   3.815
  272   1HB   GLN  33          1HB       GLN  33   5.367  -4.379   4.554
  273   2HB   GLN  33          2HB       GLN  33   3.870  -3.978   5.412
  274   1HG   GLN  33          1HG       GLN  33   4.220  -5.995   6.876
  275   2HG   GLN  33          2HG       GLN  33   5.715  -6.339   5.989
  276   1HE2  GLN  33          1HE2      GLN  33   5.566  -3.082   8.544
  277   2HE2  GLN  33          2HE2      GLN  33   4.076  -3.695   7.844
  278    H    THR  34           H        THR  34   1.571  -4.518   4.711
  279    HA   THR  34           HA       THR  34   0.660  -6.424   6.693
  280    HB   THR  34           HB       THR  34  -0.925  -4.166   5.434
  281    HG1  THR  34           HG1      THR  34   0.962  -3.309   6.187
  282   1HG2  THR  34          1HG2      THR  34  -1.061  -5.510   8.175
  283   2HG2  THR  34          2HG2      THR  34  -2.032  -4.115   7.675
  284   3HG2  THR  34          3HG2      THR  34  -2.263  -5.676   6.877
  285    H    GLU  35           H        GLU  35  -0.485  -5.531   3.357
  286    HA   GLU  35           HA       GLU  35  -2.678  -7.461   3.639
  287   1HB   GLU  35          1HB       GLU  35  -2.048  -5.349   1.544
  288   2HB   GLU  35          2HB       GLU  35  -3.533  -6.280   1.678
  289   1HG   GLU  35          1HG       GLU  35  -2.444  -4.303   3.754
  290   2HG   GLU  35          2HG       GLU  35  -3.688  -3.959   2.583
  291    H    PHE  36           H        PHE  36   0.344  -7.101   1.840
  292    HA   PHE  36           HA       PHE  36  -0.206  -9.678   0.428
  293   1HB   PHE  36          1HB       PHE  36   0.774  -7.164  -0.921
  294   2HB   PHE  36          2HB       PHE  36   0.565  -8.760  -1.632
  295    HD1  PHE  36           HD2      PHE  36  -1.107  -5.718  -0.502
  296    HD2  PHE  36           HD1      PHE  36  -1.637  -9.579  -2.310
  297    HE1  PHE  36           HE2      PHE  36  -3.390  -5.051  -1.248
  298    HE2  PHE  36           HE1      PHE  36  -3.817  -8.805  -3.281
  299    HZ   PHE  36           HZ       PHE  36  -4.783  -6.652  -2.529
  300    HA   PRO  37           HA       PRO  37   4.117  -9.570   2.342
  301   1HB   PRO  37          1HB       PRO  37   3.037 -12.380   2.689
  302   2HB   PRO  37          2HB       PRO  37   4.205 -11.504   3.721
  303   1HG   PRO  37          1HG       PRO  37   1.605 -11.658   4.473
  304   2HG   PRO  37          2HG       PRO  37   2.463 -10.094   4.586
  305   1HD   PRO  37          1HD       PRO  37   0.535 -11.005   2.442
  306   2HD   PRO  37          2HD       PRO  37   0.678  -9.430   3.277
  307    H    SER  38           H        SER  38   2.233 -11.425  -0.046
  308    HA   SER  38           HA       SER  38   4.351 -12.925  -1.273
  309   1HB   SER  38          1HB       SER  38   2.533 -12.836  -3.141
  310   2HB   SER  38          2HB       SER  38   2.088 -13.605  -1.604
  311    HG   SER  38           HG       SER  38   0.489 -12.097  -2.236
  312    H    LEU  39           H        LEU  39   2.468 -10.145  -2.337
  313    HA   LEU  39           HA       LEU  39   4.104  -9.289  -4.438
  314   1HB   LEU  39          1HB       LEU  39   2.325  -7.644  -2.643
  315   2HB   LEU  39          2HB       LEU  39   2.973  -7.070  -4.191
  316    HG   LEU  39           HG       LEU  39   1.114  -9.453  -3.836
  317   1HD1  LEU  39          3HD1      LEU  39   0.165  -7.069  -3.491
  318   2HD1  LEU  39          1HD1      LEU  39   0.563  -6.770  -5.184
  319   3HD1  LEU  39          2HD1      LEU  39  -0.606  -8.040  -4.753
  320   1HD2  LEU  39          3HD2      LEU  39   2.221  -8.158  -6.347
  321   2HD2  LEU  39          1HD2      LEU  39   2.507  -9.833  -5.811
  322   3HD2  LEU  39          2HD2      LEU  39   0.896  -9.343  -6.323
  323    H    LEU  40           H        LEU  40   4.351  -8.451  -1.011
  324    HA   LEU  40           HA       LEU  40   6.278  -6.440  -1.128
  325   1HB   LEU  40          1HB       LEU  40   5.191  -7.371   0.968
  326   2HB   LEU  40          2HB       LEU  40   6.268  -8.763   0.826
  327    HG   LEU  40           HG       LEU  40   8.237  -7.117   0.960
  328   1HD1  LEU  40          1HD1      LEU  40   6.023  -5.259   1.945
  329   2HD1  LEU  40          2HD1      LEU  40   7.766  -4.961   2.073
  330   3HD1  LEU  40          3HD1      LEU  40   7.001  -5.015   0.481
  331   1HD2  LEU  40          3HD2      LEU  40   6.377  -7.408   3.343
  332   2HD2  LEU  40          1HD2      LEU  40   7.593  -8.579   2.806
  333   3HD2  LEU  40          2HD2      LEU  40   8.101  -6.993   3.410
  334    H    LYS  41           H        LYS  41   6.763  -9.934  -1.524
  335    HA   LYS  41           HA       LYS  41   9.679  -9.596  -1.995
  336   1HB   LYS  41          1HB       LYS  41   7.809 -11.958  -1.615
  337   2HB   LYS  41          2HB       LYS  41   9.367 -12.147  -2.407
  338   1HG   LYS  41          1HG       LYS  41   9.620 -12.703  -0.098
  339   2HG   LYS  41          2HG       LYS  41  10.547 -11.238  -0.455
  340   1HD   LYS  41          1HD       LYS  41   8.817  -9.848   0.627
  341   2HD   LYS  41          2HD       LYS  41   7.763 -11.261   0.802
  342   1HE   LYS  41          1HE       LYS  41   8.823 -10.762   2.935
  343   2HE   LYS  41          2HE       LYS  41   9.418 -12.314   2.328
  344   1HZ   LYS  41          1HZ       LYS  41  10.815  -9.735   2.102
  345   2HZ   LYS  41          2HZ       LYS  41  11.170 -10.931   3.179
  346   3HZ   LYS  41          3HZ       LYS  41  11.384 -11.187   1.567
  347    H    GLY  42           H        GLY  42   6.669 -10.312  -3.685
  348   1HA   GLY  42          1HA       GLY  42   7.852 -11.207  -6.139
  349   2HA   GLY  42          2HA       GLY  42   6.160 -10.783  -5.860
  350    H    GLY  43           H        GLY  43   9.230  -8.884  -5.816
  351   1HA   GLY  43          1HA       GLY  43   8.853  -7.617  -8.324
  352   2HA   GLY  43          2HA       GLY  43   8.291  -6.534  -7.028
  353    H    SER  44           H        SER  44  10.815  -6.559  -8.844
  354    HA   SER  44           HA       SER  44  13.056  -7.417  -7.723
  355   1HB   SER  44          1HB       SER  44  12.805  -4.719  -9.086
  356   2HB   SER  44          2HB       SER  44  14.167  -5.861  -9.171
  357    HG   SER  44           HG       SER  44  12.783  -6.044 -10.999
  358    H    THR  45           H        THR  45  11.715  -4.139  -6.998
  359    HA   THR  45           HA       THR  45  12.610  -4.326  -4.276
  360    HB   THR  45           HB       THR  45  13.695  -2.065  -4.276
  361    HG1  THR  45           HG1      THR  45  14.054  -2.389  -7.041
  362   1HG2  THR  45          3HG2      THR  45  15.136  -4.088  -4.241
  363   2HG2  THR  45          1HG2      THR  45  15.287  -3.995  -6.006
  364   3HG2  THR  45          2HG2      THR  45  15.901  -2.677  -4.998
  365    H    LEU  46           H        LEU  46  11.532  -2.610  -3.027
  366    HA   LEU  46           HA       LEU  46   8.963  -1.830  -3.878
  367   1HB   LEU  46          1HB       LEU  46   9.646  -1.774  -1.511
  368   2HB   LEU  46          2HB       LEU  46  10.912  -0.593  -1.886
  369    HG   LEU  46           HG       LEU  46   9.197   1.100  -2.471
  370   1HD1  LEU  46          1HD1      LEU  46   7.223  -1.028  -1.533
  371   2HD1  LEU  46          2HD1      LEU  46   6.822   0.678  -1.821
  372   3HD1  LEU  46          3HD1      LEU  46   7.317  -0.348  -3.174
  373   1HD2  LEU  46          1HD2      LEU  46  10.118   0.963  -0.192
  374   2HD2  LEU  46          2HD2      LEU  46   8.436   1.523  -0.191
  375   3HD2  LEU  46          3HD2      LEU  46   8.809  -0.156   0.261
  376    H    ASP  47           H        ASP  47  12.073  -0.137  -4.083
  377    HA   ASP  47           HA       ASP  47  11.144   2.274  -5.171
  378   1HB   ASP  47          1HB       ASP  47  13.800   0.833  -5.628
  379   2HB   ASP  47          2HB       ASP  47  13.488   2.548  -5.925
  380    H    GLU  48           H        GLU  48  12.373  -0.602  -6.889
  381    HA   GLU  48           HA       GLU  48  11.825   0.416  -9.499
  382   1HB   GLU  48          1HB       GLU  48  12.096  -2.402  -8.435
  383   2HB   GLU  48          2HB       GLU  48  11.812  -2.059 -10.150
  384   1HG   GLU  48          1HG       GLU  48  13.837  -0.802 -10.382
  385   2HG   GLU  48          2HG       GLU  48  14.121  -0.760  -8.640
  386    H    LEU  49           H        LEU  49   9.781  -1.529  -7.311
  387    HA   LEU  49           HA       LEU  49   7.536  -1.709  -9.082
  388   1HB   LEU  49          1HB       LEU  49   7.721  -1.581  -6.048
  389   2HB   LEU  49          2HB       LEU  49   6.183  -1.745  -6.887
  390    HG   LEU  49           HG       LEU  49   8.462  -3.744  -7.181
  391   1HD1  LEU  49          1HD1      LEU  49   5.971  -3.783  -5.413
  392   2HD1  LEU  49          2HD1      LEU  49   7.074  -5.150  -5.642
  393   3HD1  LEU  49          3HD1      LEU  49   7.654  -3.676  -4.857
  394   1HD2  LEU  49          3HD2      LEU  49   5.509  -3.803  -7.980
  395   2HD2  LEU  49          1HD2      LEU  49   6.901  -3.830  -9.084
  396   3HD2  LEU  49          2HD2      LEU  49   6.588  -5.206  -8.027
  397    H    PHE  50           H        PHE  50   8.312   0.723  -6.617
  398    HA   PHE  50           HA       PHE  50   6.070   2.369  -6.951
  399   1HB   PHE  50          1HB       PHE  50   7.711   2.537  -5.112
  400   2HB   PHE  50          2HB       PHE  50   8.935   3.121  -6.230
  401    HD1  PHE  50           HD1      PHE  50   5.697   3.918  -4.606
  402    HD2  PHE  50           HD2      PHE  50   9.032   5.464  -6.852
  403    HE1  PHE  50           HE1      PHE  50   5.147   6.173  -3.841
  404    HE2  PHE  50           HE2      PHE  50   8.394   7.766  -6.191
  405    HZ   PHE  50           HZ       PHE  50   6.534   8.111  -4.587
  406    H    GLU  51           H        GLU  51   9.262   2.577  -8.592
  407    HA   GLU  51           HA       GLU  51   8.574   4.754 -10.261
  408   1HB   GLU  51          1HB       GLU  51  10.892   3.823  -9.823
  409   2HB   GLU  51          2HB       GLU  51  10.492   2.449 -10.860
  410   1HG   GLU  51          1HG       GLU  51  11.793   4.093 -12.106
  411   2HG   GLU  51          2HG       GLU  51  10.165   3.999 -12.784
  412    H    GLU  52           H        GLU  52   8.304   1.256 -10.800
  413    HA   GLU  52           HA       GLU  52   7.328   1.331 -13.451
  414   1HB   GLU  52          1HB       GLU  52   8.169  -0.695 -12.255
  415   2HB   GLU  52          2HB       GLU  52   6.693  -0.707 -11.276
  416   1HG   GLU  52          1HG       GLU  52   5.335  -1.025 -13.338
  417   2HG   GLU  52          2HG       GLU  52   6.824  -1.025 -14.301
  418    H    LEU  53           H        LEU  53   5.605   1.593 -10.354
  419    HA   LEU  53           HA       LEU  53   2.983   1.641 -11.620
  420   1HB   LEU  53          1HB       LEU  53   3.875   2.338  -8.794
  421   2HB   LEU  53          2HB       LEU  53   2.229   2.185  -9.400
  422    HG   LEU  53           HG       LEU  53   4.245  -0.062  -9.088
  423   1HD1  LEU  53          3HD1      LEU  53   3.103   0.742  -7.036
  424   2HD1  LEU  53          1HD1      LEU  53   1.535   0.410  -7.804
  425   3HD1  LEU  53          2HD1      LEU  53   2.665  -0.919  -7.464
  426   1HD2  LEU  53          3HD2      LEU  53   1.480  -0.219 -10.303
  427   2HD2  LEU  53          1HD2      LEU  53   3.030  -0.497 -11.145
  428   3HD2  LEU  53          2HD2      LEU  53   2.533  -1.595  -9.876
  429    H    ASP  54           H        ASP  54   5.116   4.097 -10.236
  430    HA   ASP  54           HA       ASP  54   3.251   6.271 -10.590
  431   1HB   ASP  54          1HB       ASP  54   4.979   6.268  -8.835
  432   2HB   ASP  54          2HB       ASP  54   6.232   6.297 -10.066
  433    H    LYS  55           H        LYS  55   3.035   5.293 -12.981
  434    HA   LYS  55           HA       LYS  55   4.963   5.938 -14.948
  435   1HB   LYS  55          1HB       LYS  55   1.975   5.435 -15.034
  436   2HB   LYS  55          2HB       LYS  55   2.895   5.752 -16.513
  437   1HG   LYS  55          1HG       LYS  55   3.876   3.645 -14.572
  438   2HG   LYS  55          2HG       LYS  55   2.557   3.272 -15.688
  439   1HD   LYS  55          1HD       LYS  55   3.882   3.646 -17.619
  440   2HD   LYS  55          2HD       LYS  55   5.137   4.508 -16.724
  441   1HE   LYS  55          1HE       LYS  55   5.799   2.193 -17.409
  442   2HE   LYS  55          2HE       LYS  55   5.940   2.514 -15.672
  443   1HZ   LYS  55          1HZ       LYS  55   3.638   1.154 -16.882
  444   2HZ   LYS  55          2HZ       LYS  55   4.933   0.386 -16.202
  445   3HZ   LYS  55          3HZ       LYS  55   3.983   1.351 -15.272
  446    H    ASN  56           H        ASN  56   2.439   7.935 -13.503
  447    HA   ASN  56           HA       ASN  56   2.778  10.059 -15.496
  448   1HB   ASN  56          1HB       ASN  56   1.221  11.327 -14.294
  449   2HB   ASN  56          2HB       ASN  56   0.622   9.663 -14.318
  450   1HD2  ASN  56          1HD2      ASN  56   0.043  10.705 -10.863
  451   2HD2  ASN  56          2HD2      ASN  56  -0.715  10.857 -12.457
  452    H    GLY  57           H        GLY  57   4.706   8.993 -12.881
  453   1HA   GLY  57          1HA       GLY  57   6.537   9.851 -11.900
  454   2HA   GLY  57          2HA       GLY  57   6.598  11.051 -13.195
  455    H    ASP  58           H        ASP  58   3.816  10.805 -10.888
  456    HA   ASP  58           HA       ASP  58   4.266  13.563 -10.172
  457   1HB   ASP  58          1HB       ASP  58   2.223  13.496  -9.106
  458   2HB   ASP  58          2HB       ASP  58   2.035  12.601 -10.599
  459    H    GLY  59           H        GLY  59   5.664  10.728  -8.935
  460   1HA   GLY  59          1HA       GLY  59   7.294  10.702  -7.293
  461   2HA   GLY  59          2HA       GLY  59   6.735  12.247  -6.643
  462    H    GLU  60           H        GLU  60   4.190  10.030  -7.220
  463    HA   GLU  60           HA       GLU  60   4.232   8.358  -4.859
  464   1HB   GLU  60          1HB       GLU  60   2.187  10.598  -5.226
  465   2HB   GLU  60          2HB       GLU  60   1.996   9.208  -4.154
  466   1HG   GLU  60          1HG       GLU  60   4.167   9.988  -3.003
  467   2HG   GLU  60          2HG       GLU  60   3.930  11.515  -3.869
  468    H    VAL  61           H        VAL  61   1.989   7.154  -5.056
  469    HA   VAL  61           HA       VAL  61   1.572   6.628  -7.994
  470    HB   VAL  61           HB       VAL  61   1.194   4.610  -5.778
  471   1HG1  VAL  61          3HG1      VAL  61   0.105   4.311  -8.068
  472   2HG1  VAL  61          1HG1      VAL  61   1.744   4.340  -8.758
  473   3HG1  VAL  61          2HG1      VAL  61   1.262   3.052  -7.613
  474   1HG2  VAL  61          3HG2      VAL  61   3.674   5.201  -7.448
  475   2HG2  VAL  61          1HG2      VAL  61   3.548   5.184  -5.677
  476   3HG2  VAL  61          2HG2      VAL  61   3.414   3.675  -6.597
  477    H    SER  62           H        SER  62  -0.344   7.422  -8.661
  478    HA   SER  62           HA       SER  62  -2.610   7.553  -6.801
  479   1HB   SER  62          1HB       SER  62  -2.150   9.425  -8.346
  480   2HB   SER  62          2HB       SER  62  -2.560   8.364  -9.711
  481    HG   SER  62           HG       SER  62  -4.237   8.983  -7.478
  482    H    PHE  63           H        PHE  63  -4.778   6.748  -7.571
  483    HA   PHE  63           HA       PHE  63  -4.568   3.949  -7.539
  484   1HB   PHE  63          1HB       PHE  63  -6.473   5.153  -6.579
  485   2HB   PHE  63          2HB       PHE  63  -7.047   5.567  -8.195
  486    HD1  PHE  63           HD1      PHE  63  -6.052   2.598  -6.112
  487    HD2  PHE  63           HD2      PHE  63  -8.540   4.028  -9.323
  488    HE1  PHE  63           HE1      PHE  63  -7.179   0.405  -6.207
  489    HE2  PHE  63           HE2      PHE  63  -9.629   1.805  -9.454
  490    HZ   PHE  63           HZ       PHE  63  -8.960  -0.014  -7.869
  491    H    GLU  64           H        GLU  64  -5.279   6.084 -10.300
  492    HA   GLU  64           HA       GLU  64  -6.072   3.993 -12.070
  493   1HB   GLU  64          1HB       GLU  64  -4.783   6.699 -12.708
  494   2HB   GLU  64          2HB       GLU  64  -5.576   5.628 -13.875
  495   1HG   GLU  64          1HG       GLU  64  -7.706   5.816 -12.598
  496   2HG   GLU  64          2HG       GLU  64  -6.932   6.939 -11.467
  497    H    GLU  65           H        GLU  65  -2.882   5.659 -11.767
  498    HA   GLU  65           HA       GLU  65  -1.592   3.832 -13.551
  499   1HB   GLU  65          1HB       GLU  65   0.460   4.885 -12.893
  500   2HB   GLU  65          2HB       GLU  65  -0.797   6.077 -13.201
  501   1HG   GLU  65          1HG       GLU  65  -1.208   6.237 -10.717
  502   2HG   GLU  65          2HG       GLU  65   0.182   5.166 -10.462
  503    H    PHE  66           H        PHE  66  -2.051   3.774 -10.010
  504    HA   PHE  66           HA       PHE  66  -0.526   1.502  -9.320
  505   1HB   PHE  66          1HB       PHE  66  -1.588   2.753  -7.608
  506   2HB   PHE  66          2HB       PHE  66  -3.117   2.648  -8.445
  507    HD1  PHE  66           HD1      PHE  66  -0.759   0.594  -6.396
  508    HD2  PHE  66           HD2      PHE  66  -4.687   1.027  -8.059
  509    HE1  PHE  66           HE1      PHE  66  -1.631  -1.132  -4.820
  510    HE2  PHE  66           HE2      PHE  66  -5.467  -0.959  -6.818
  511    HZ   PHE  66           HZ       PHE  66  -3.996  -1.875  -4.970
  512    H    GLN  67           H        GLN  67  -3.497   1.634 -11.329
  513    HA   GLN  67           HA       GLN  67  -4.120  -1.117 -11.148
  514   1HB   GLN  67          1HB       GLN  67  -4.379   0.577 -13.659
  515   2HB   GLN  67          2HB       GLN  67  -5.107  -0.997 -13.363
  516   1HG   GLN  67          1HG       GLN  67  -5.852   1.612 -12.034
  517   2HG   GLN  67          2HG       GLN  67  -6.841   0.544 -13.016
  518   1HE2  GLN  67          1HE2      GLN  67  -6.480   0.019  -8.983
  519   2HE2  GLN  67          2HE2      GLN  67  -5.762   1.352  -9.871
  520    H    VAL  68           H        VAL  68  -1.285   0.311 -12.630
  521    HA   VAL  68           HA       VAL  68  -0.475  -1.860 -14.287
  522    HB   VAL  68           HB       VAL  68   1.130   0.120 -12.652
  523   1HG1  VAL  68          1HG1      VAL  68   2.064  -1.827 -14.810
  524   2HG1  VAL  68          2HG1      VAL  68   3.022  -0.488 -14.146
  525   3HG1  VAL  68          3HG1      VAL  68   2.564  -1.838 -13.107
  526   1HG2  VAL  68          1HG2      VAL  68  -0.296   1.065 -14.516
  527   2HG2  VAL  68          2HG2      VAL  68   1.440   1.234 -14.809
  528   3HG2  VAL  68          3HG2      VAL  68   0.518  -0.032 -15.642
  529    H    LEU  69           H        LEU  69  -0.528  -1.502 -10.746
  530    HA   LEU  69           HA       LEU  69   0.916  -4.009 -10.308
  531   1HB   LEU  69          1HB       LEU  69   0.760  -2.031  -8.618
  532   2HB   LEU  69          2HB       LEU  69  -0.912  -2.501  -8.382
  533    HG   LEU  69           HG       LEU  69  -0.075  -4.818  -7.725
  534   1HD1  LEU  69          1HD1      LEU  69   2.609  -3.367  -7.647
  535   2HD1  LEU  69          2HD1      LEU  69   2.276  -4.953  -6.924
  536   3HD1  LEU  69          3HD1      LEU  69   2.206  -4.758  -8.676
  537   1HD2  LEU  69          3HD2      LEU  69   0.781  -2.419  -6.058
  538   2HD2  LEU  69          1HD2      LEU  69  -0.827  -3.177  -6.082
  539   3HD2  LEU  69          2HD2      LEU  69   0.561  -4.075  -5.450
  540    H    VAL  70           H        VAL  70  -2.491  -2.860 -10.080
  541    HA   VAL  70           HA       VAL  70  -3.631  -5.257  -9.273
  542    HB   VAL  70           HB       VAL  70  -4.872  -3.211 -11.158
  543   1HG1  VAL  70          1HG1      VAL  70  -6.164  -5.339  -9.414
  544   2HG1  VAL  70          2HG1      VAL  70  -7.029  -3.992 -10.180
  545   3HG1  VAL  70          3HG1      VAL  70  -6.233  -5.208 -11.181
  546   1HG2  VAL  70          3HG2      VAL  70  -4.780  -3.405  -8.107
  547   2HG2  VAL  70          1HG2      VAL  70  -4.100  -2.114  -9.096
  548   3HG2  VAL  70          2HG2      VAL  70  -5.852  -2.318  -8.999
  549    H    LYS  71           H        LYS  71  -2.938  -4.300 -12.677
  550    HA   LYS  71           HA       LYS  71  -4.113  -6.658 -13.790
  551   1HB   LYS  71          1HB       LYS  71  -2.930  -6.138 -15.808
  552   2HB   LYS  71          2HB       LYS  71  -3.699  -4.708 -15.075
  553   1HG   LYS  71          1HG       LYS  71  -1.500  -3.940 -14.281
  554   2HG   LYS  71          2HG       LYS  71  -0.719  -5.367 -14.947
  555   1HD   LYS  71          1HD       LYS  71  -0.428  -3.410 -16.405
  556   2HD   LYS  71          2HD       LYS  71  -1.263  -4.739 -17.210
  557   1HE   LYS  71          1HE       LYS  71  -2.243  -2.526 -17.759
  558   2HE   LYS  71          2HE       LYS  71  -3.418  -3.607 -17.013
  559   1HZ   LYS  71          3HZ       LYS  71  -2.980  -2.458 -14.915
  560   2HZ   LYS  71          1HZ       LYS  71  -1.969  -1.417 -15.694
  561   3HZ   LYS  71          2HZ       LYS  71  -3.568  -1.450 -16.079
  562    H    LYS  72           H        LYS  72  -0.929  -6.043 -12.437
  563    HA   LYS  72           HA       LYS  72   0.351  -8.518 -13.304
  564   1HB   LYS  72          1HB       LYS  72   1.603  -6.562 -13.218
  565   2HB   LYS  72          2HB       LYS  72   1.084  -6.147 -11.604
  566   1HG   LYS  72          1HG       LYS  72   2.855  -8.529 -12.329
  567   2HG   LYS  72          2HG       LYS  72   3.375  -6.957 -11.669
  568   1HD   LYS  72          1HD       LYS  72   1.425  -7.488  -9.919
  569   2HD   LYS  72          2HD       LYS  72   1.830  -9.163 -10.377
  570   1HE   LYS  72          1HE       LYS  72   3.787  -7.098  -9.227
  571   2HE   LYS  72          2HE       LYS  72   3.116  -8.491  -8.368
  572   1HZ   LYS  72          3HZ       LYS  72   4.207  -9.924  -9.918
  573   2HZ   LYS  72          1HZ       LYS  72   4.875  -8.634 -10.698
  574   3HZ   LYS  72          2HZ       LYS  72   5.281  -8.949  -9.128
  575    H    ILE  73           H        ILE  73  -1.286  -7.346 -10.371
  576    HA   ILE  73           HA       ILE  73  -1.056  -9.784  -8.892
  577    HB   ILE  73           HB       ILE  73  -3.359  -7.783  -8.870
  578   1HG1  ILE  73          1HG1      ILE  73  -0.883  -8.030  -7.111
  579   2HG1  ILE  73          2HG1      ILE  73  -1.191  -6.767  -8.297
  580   1HG2  ILE  73          3HG2      ILE  73  -4.008  -9.993  -7.911
  581   2HG2  ILE  73          1HG2      ILE  73  -2.610  -9.907  -6.819
  582   3HG2  ILE  73          2HG2      ILE  73  -3.947  -8.742  -6.689
  583   1HD1  ILE  73          3HD1      ILE  73  -3.219  -6.069  -7.003
  584   2HD1  ILE  73          1HD1      ILE  73  -2.716  -7.190  -5.714
  585   3HD1  ILE  73          2HD1      ILE  73  -1.678  -5.836  -6.161
  586    H    SER  74           H        SER  74  -3.432  -8.672 -11.264
  587    HA   SER  74           HA       SER  74  -4.936 -11.139 -11.311
  588   1HB   SER  74          1HB       SER  74  -4.859  -8.977 -13.443
  589   2HB   SER  74          2HB       SER  74  -6.143 -10.150 -13.129
  590    HG   SER  74           HG       SER  74  -5.295  -8.035 -11.412
  591    H    GLN  75           H        GLN  75  -1.793 -10.800 -12.275
  592    HA   GLN  75           HA       GLN  75  -0.520 -11.416 -14.049
  593   1HB   GLN  75          1HB       GLN  75  -1.909 -13.866 -12.936
  594   2HB   GLN  75          2HB       GLN  75  -0.531 -14.017 -14.025
  595   1HG   GLN  75          1HG       GLN  75  -0.548 -12.630 -11.298
  596   2HG   GLN  75          2HG       GLN  75   0.114 -14.222 -11.650
  597   1HE2  GLN  75          1HE2      GLN  75   2.671 -12.269 -13.815
  598   2HE2  GLN  75          2HE2      GLN  75   1.215 -13.075 -14.364
   
  No H/Q in entry =         598
  Start of MODEL           3
 Raw file had  599 H/Q atoms
  Start of MODEL    3
    1   1H    LYS   1          2H        LYS   1  -8.450 -10.364  -5.178
    2   2H    LYS   1          3H        LYS   1  -8.657 -10.882  -3.591
    3   3H    LYS   1          1H        LYS   1  -9.877 -11.127  -4.722
    4    HA   LYS   1           HA       LYS   1 -10.439  -9.342  -3.273
    5   1HB   LYS   1          1HB       LYS   1  -7.937  -8.094  -4.465
    6   2HB   LYS   1          2HB       LYS   1  -9.050  -7.283  -3.355
    7   1HG   LYS   1          1HG       LYS   1  -7.366  -9.741  -2.660
    8   2HG   LYS   1          2HG       LYS   1  -6.899  -8.068  -2.334
    9   1HD   LYS   1          1HD       LYS   1  -8.954  -7.777  -0.932
   10   2HD   LYS   1          2HD       LYS   1  -9.323  -9.502  -1.167
   11   1HE   LYS   1          1HE       LYS   1  -7.153 -10.112  -0.127
   12   2HE   LYS   1          2HE       LYS   1  -6.753  -8.396   0.076
   13   1HZ   LYS   1          3HZ       LYS   1  -8.643  -8.180   1.508
   14   2HZ   LYS   1          1HZ       LYS   1  -9.014  -9.778   1.332
   15   3HZ   LYS   1          2HZ       LYS   1  -7.609  -9.331   2.069
   16    H    SER   2           H        SER   2 -11.927  -7.860  -4.219
   17    HA   SER   2           HA       SER   2 -12.133  -7.851  -7.138
   18   1HB   SER   2          1HB       SER   2 -14.204  -6.624  -6.709
   19   2HB   SER   2          2HB       SER   2 -14.118  -8.002  -5.606
   20    HG   SER   2           HG       SER   2 -14.305  -6.537  -4.086
   21    HA   PRO   3           HA       PRO   3 -10.115  -3.838  -7.816
   22   1HB   PRO   3          1HB       PRO   3 -12.809  -3.087  -8.992
   23   2HB   PRO   3          2HB       PRO   3 -11.178  -2.687  -9.608
   24   1HG   PRO   3          1HG       PRO   3 -12.539  -4.750 -10.706
   25   2HG   PRO   3          2HG       PRO   3 -10.815  -4.971 -10.281
   26   1HD   PRO   3          1HD       PRO   3 -13.248  -5.877  -8.737
   27   2HD   PRO   3          2HD       PRO   3 -11.726  -6.753  -9.072
   28    H    GLU   4           H        GLU   4 -13.504  -3.877  -6.615
   29    HA   GLU   4           HA       GLU   4 -13.523  -1.397  -5.277
   30   1HB   GLU   4          1HB       GLU   4 -15.071  -3.901  -4.598
   31   2HB   GLU   4          2HB       GLU   4 -15.384  -2.250  -4.051
   32   1HG   GLU   4          1HG       GLU   4 -16.667  -2.045  -5.860
   33   2HG   GLU   4          2HG       GLU   4 -15.201  -1.824  -6.780
   34    H    GLU   5           H        GLU   5 -12.556  -4.633  -4.141
   35    HA   GLU   5           HA       GLU   5 -12.065  -3.751  -1.394
   36   1HB   GLU   5          1HB       GLU   5 -11.443  -6.250  -2.964
   37   2HB   GLU   5          2HB       GLU   5 -10.525  -5.907  -1.497
   38   1HG   GLU   5          1HG       GLU   5 -12.420  -7.331  -0.954
   39   2HG   GLU   5          2HG       GLU   5 -12.542  -5.768  -0.143
   40    H    LEU   6           H        LEU   6 -10.091  -4.166  -4.311
   41    HA   LEU   6           HA       LEU   6  -7.611  -3.334  -3.130
   42   1HB   LEU   6          1HB       LEU   6  -8.642  -3.193  -5.989
   43   2HB   LEU   6          2HB       LEU   6  -7.013  -2.830  -5.478
   44    HG   LEU   6           HG       LEU   6  -8.446  -5.524  -5.433
   45   1HD1  LEU   6          3HD1      LEU   6  -7.125  -4.759  -7.443
   46   2HD1  LEU   6          1HD1      LEU   6  -5.685  -4.771  -6.372
   47   3HD1  LEU   6          2HD1      LEU   6  -6.556  -6.278  -6.713
   48   1HD2  LEU   6          3HD2      LEU   6  -5.935  -4.780  -3.892
   49   2HD2  LEU   6          1HD2      LEU   6  -7.424  -5.543  -3.265
   50   3HD2  LEU   6          2HD2      LEU   6  -6.361  -6.445  -4.343
   51    H    LYS   7           H        LYS   7 -10.183  -1.407  -4.682
   52    HA   LYS   7           HA       LYS   7  -8.912   1.078  -4.256
   53   1HB   LYS   7          1HB       LYS   7 -11.018   0.718  -5.554
   54   2HB   LYS   7          2HB       LYS   7 -11.902   0.484  -4.063
   55   1HG   LYS   7          1HG       LYS   7 -12.205   2.749  -4.959
   56   2HG   LYS   7          2HG       LYS   7 -11.534   2.746  -3.328
   57   1HD   LYS   7          1HD       LYS   7  -9.293   3.263  -4.186
   58   2HD   LYS   7          2HD       LYS   7  -9.865   3.075  -5.856
   59   1HE   LYS   7          1HE       LYS   7 -11.332   5.026  -5.603
   60   2HE   LYS   7          2HE       LYS   7 -10.875   5.183  -3.897
   61   1HZ   LYS   7          1HZ       LYS   7  -9.040   5.427  -6.169
   62   2HZ   LYS   7          2HZ       LYS   7  -9.658   6.678  -5.288
   63   3HZ   LYS   7          3HZ       LYS   7  -8.638   5.596  -4.579
   64    H    GLY   8           H        GLY   8 -10.994  -0.843  -2.148
   65   1HA   GLY   8          1HA       GLY   8 -11.236   0.875   0.081
   66   2HA   GLY   8          2HA       GLY   8 -11.230  -0.898   0.167
   67    H    ILE   9           H        ILE   9  -8.834  -1.691  -0.457
   68    HA   ILE   9           HA       ILE   9  -6.951  -1.199   1.642
   69    HB   ILE   9           HB       ILE   9  -6.688  -2.258  -1.192
   70   1HG1  ILE   9          1HG1      ILE   9  -6.903  -3.597   1.544
   71   2HG1  ILE   9          2HG1      ILE   9  -8.176  -3.521   0.316
   72   1HG2  ILE   9          3HG2      ILE   9  -4.487  -1.403  -0.378
   73   2HG2  ILE   9          1HG2      ILE   9  -4.654  -2.456   1.038
   74   3HG2  ILE   9          2HG2      ILE   9  -4.508  -3.136  -0.598
   75   1HD1  ILE   9          3HD1      ILE   9  -6.678  -4.761  -1.255
   76   2HD1  ILE   9          1HD1      ILE   9  -5.518  -4.962   0.068
   77   3HD1  ILE   9          2HD1      ILE   9  -7.127  -5.688   0.195
   78    H    PHE  10           H        PHE  10  -6.938   0.036  -1.750
   79    HA   PHE  10           HA       PHE  10  -4.624   1.537  -1.536
   80   1HB   PHE  10          1HB       PHE  10  -5.940   0.990  -3.607
   81   2HB   PHE  10          2HB       PHE  10  -7.130   2.177  -3.129
   82    HD1  PHE  10           HD1      PHE  10  -6.404   4.613  -2.832
   83    HD2  PHE  10           HD2      PHE  10  -3.878   1.630  -4.666
   84    HE1  PHE  10           HE1      PHE  10  -4.753   6.305  -3.413
   85    HE2  PHE  10           HE2      PHE  10  -2.475   3.445  -5.634
   86    HZ   PHE  10           HZ       PHE  10  -2.957   5.788  -5.092
   87    H    GLU  11           H        GLU  11  -7.980   2.510  -0.775
   88    HA   GLU  11           HA       GLU  11  -7.342   5.219  -0.040
   89   1HB   GLU  11          1HB       GLU  11  -9.731   3.432   0.573
   90   2HB   GLU  11          2HB       GLU  11  -9.616   5.136   1.048
   91   1HG   GLU  11          1HG       GLU  11  -9.333   5.816  -1.303
   92   2HG   GLU  11          2HG       GLU  11  -9.424   4.139  -1.831
   93    H    LYS  12           H        LYS  12  -7.921   2.236   1.904
   94    HA   LYS  12           HA       LYS  12  -7.555   3.182   4.491
   95   1HB   LYS  12          1HB       LYS  12  -8.117   0.911   4.226
   96   2HB   LYS  12          2HB       LYS  12  -6.763   0.586   3.130
   97   1HG   LYS  12          1HG       LYS  12  -5.153   0.546   4.768
   98   2HG   LYS  12          2HG       LYS  12  -6.193   1.330   5.984
   99   1HD   LYS  12          1HD       LYS  12  -5.846  -1.106   6.362
  100   2HD   LYS  12          2HD       LYS  12  -7.554  -0.654   6.218
  101   1HE   LYS  12          1HE       LYS  12  -7.729  -1.576   4.011
  102   2HE   LYS  12          2HE       LYS  12  -5.971  -1.684   3.837
  103   1HZ   LYS  12          3HZ       LYS  12  -5.949  -3.352   5.531
  104   2HZ   LYS  12          1HZ       LYS  12  -7.588  -3.271   5.692
  105   3HZ   LYS  12          2HZ       LYS  12  -6.918  -3.802   4.282
  106    H    TYR  13           H        TYR  13  -5.010   2.217   2.169
  107    HA   TYR  13           HA       TYR  13  -2.928   2.980   4.054
  108   1HB   TYR  13          1HB       TYR  13  -2.912   1.882   1.259
  109   2HB   TYR  13          2HB       TYR  13  -1.439   2.367   2.102
  110    HD1  TYR  13           HD1      TYR  13  -0.945   1.410   4.387
  111    HD2  TYR  13           HD2      TYR  13  -4.069  -0.281   1.952
  112    HE1  TYR  13           HE1      TYR  13  -0.997  -0.638   5.801
  113    HE2  TYR  13           HE2      TYR  13  -3.918  -2.374   3.149
  114    HH   TYR  13           HH       TYR  13  -1.721  -2.916   5.873
  115    H    ALA  14           H        ALA  14  -4.173   4.435   1.065
  116    HA   ALA  14           HA       ALA  14  -2.259   6.561   0.913
  117   1HB   ALA  14          3HB       ALA  14  -3.590   5.728  -1.001
  118   2HB   ALA  14          1HB       ALA  14  -5.057   6.382  -0.248
  119   3HB   ALA  14          2HB       ALA  14  -3.756   7.470  -0.773
  120    H    ALA  15           H        ALA  15  -5.391   6.330   2.506
  121    HA   ALA  15           HA       ALA  15  -5.883   9.045   2.944
  122   1HB   ALA  15          1HB       ALA  15  -6.597   6.655   4.691
  123   2HB   ALA  15          2HB       ALA  15  -7.304   8.280   4.834
  124   3HB   ALA  15          3HB       ALA  15  -7.562   7.335   3.357
  125    H    LYS  16           H        LYS  16  -3.575   6.884   4.558
  126    HA   LYS  16           HA       LYS  16  -3.365   8.235   7.038
  127   1HB   LYS  16          1HB       LYS  16  -1.277   6.630   5.512
  128   2HB   LYS  16          2HB       LYS  16  -1.151   7.148   7.200
  129   1HG   LYS  16          1HG       LYS  16  -3.344   5.964   7.650
  130   2HG   LYS  16          2HG       LYS  16  -3.232   5.210   6.060
  131   1HD   LYS  16          1HD       LYS  16  -0.917   5.004   8.037
  132   2HD   LYS  16          2HD       LYS  16  -2.352   4.005   8.248
  133   1HE   LYS  16          1HE       LYS  16  -0.573   2.817   7.042
  134   2HE   LYS  16          2HE       LYS  16  -2.083   2.928   6.133
  135   1HZ   LYS  16          1HZ       LYS  16   0.232   4.702   5.748
  136   2HZ   LYS  16          2HZ       LYS  16  -0.095   3.380   4.819
  137   3HZ   LYS  16          3HZ       LYS  16  -1.136   4.655   4.823
  138    H    GLU  17           H        GLU  17  -1.415   8.677   4.027
  139    HA   GLU  17           HA       GLU  17  -0.026  10.954   5.206
  140   1HB   GLU  17          1HB       GLU  17   1.018   9.424   3.549
  141   2HB   GLU  17          2HB       GLU  17  -0.065  10.079   2.294
  142   1HG   GLU  17          1HG       GLU  17   0.907  12.316   2.605
  143   2HG   GLU  17          2HG       GLU  17   1.874  11.741   3.974
  144    H    GLY  18           H        GLY  18  -2.725  10.426   2.952
  145   1HA   GLY  18          1HA       GLY  18  -4.274  12.422   3.874
  146   2HA   GLY  18          2HA       GLY  18  -3.262  13.341   2.750
  147    H    ASP  19           H        ASP  19  -3.175  12.531   0.460
  148    HA   ASP  19           HA       ASP  19  -5.815  12.690  -0.463
  149   1HB   ASP  19          1HB       ASP  19  -3.996  13.572  -1.768
  150   2HB   ASP  19          2HB       ASP  19  -3.284  11.961  -1.956
  151    HA   PRO  20           HA       PRO  20  -6.617   8.235   0.103
  152   1HB   PRO  20          1HB       PRO  20  -9.148   8.185  -1.074
  153   2HB   PRO  20          2HB       PRO  20  -8.809   8.578   0.646
  154   1HG   PRO  20          1HG       PRO  20  -9.256  10.427  -1.701
  155   2HG   PRO  20          2HG       PRO  20  -9.908  10.581  -0.043
  156   1HD   PRO  20          1HD       PRO  20  -7.792  12.008  -0.863
  157   2HD   PRO  20          2HD       PRO  20  -7.822  11.332   0.791
  158    H    ASN  21           H        ASN  21  -6.724  10.069  -2.897
  159    HA   ASN  21           HA       ASN  21  -7.058   7.774  -4.651
  160   1HB   ASN  21          1HB       ASN  21  -6.387  10.672  -5.289
  161   2HB   ASN  21          2HB       ASN  21  -6.969   9.435  -6.397
  162   1HD2  ASN  21          1HD2      ASN  21  -9.593  11.519  -4.097
  163   2HD2  ASN  21          2HD2      ASN  21  -7.853  11.751  -3.935
  164    H    GLN  22           H        GLN  22  -4.300   9.029  -2.994
  165    HA   GLN  22           HA       GLN  22  -2.505   7.903  -5.066
  166   1HB   GLN  22          1HB       GLN  22  -2.839  10.202  -5.665
  167   2HB   GLN  22          2HB       GLN  22  -2.384  10.740  -4.040
  168   1HG   GLN  22          1HG       GLN  22  -0.141  10.266  -4.377
  169   2HG   GLN  22          2HG       GLN  22  -0.457   8.956  -5.522
  170   1HE2  GLN  22          1HE2      GLN  22   0.408  12.534  -7.061
  171   2HE2  GLN  22          2HE2      GLN  22   0.429  12.294  -5.312
  172    H    LEU  23           H        LEU  23  -0.932   6.638  -4.235
  173    HA   LEU  23           HA       LEU  23  -0.450   6.647  -1.322
  174   1HB   LEU  23          1HB       LEU  23   0.319   4.757  -3.564
  175   2HB   LEU  23          2HB       LEU  23   0.827   4.597  -1.903
  176    HG   LEU  23           HG       LEU  23  -2.118   4.681  -2.570
  177   1HD1  LEU  23          3HD1      LEU  23  -0.982   2.859  -3.894
  178   2HD1  LEU  23          1HD1      LEU  23  -0.347   2.216  -2.369
  179   3HD1  LEU  23          2HD1      LEU  23  -2.096   2.239  -2.652
  180   1HD2  LEU  23          1HD2      LEU  23  -1.328   4.905  -0.174
  181   2HD2  LEU  23          2HD2      LEU  23  -2.345   3.482  -0.473
  182   3HD2  LEU  23          3HD2      LEU  23  -0.586   3.303  -0.317
  183    H    SER  24           H        SER  24   1.573   7.130  -0.465
  184    HA   SER  24           HA       SER  24   3.807   7.903  -2.258
  185   1HB   SER  24          1HB       SER  24   4.836   8.721  -0.216
  186   2HB   SER  24          2HB       SER  24   3.169   9.306  -0.300
  187    HG   SER  24           HG       SER  24   3.491   8.497   1.735
  188    H    LYS  25           H        LYS  25   6.024   6.982  -1.362
  189    HA   LYS  25           HA       LYS  25   6.104   4.235  -1.877
  190   1HB   LYS  25          1HB       LYS  25   8.055   6.024  -0.328
  191   2HB   LYS  25          2HB       LYS  25   8.401   4.344  -0.756
  192   1HG   LYS  25          1HG       LYS  25   8.161   4.862  -3.146
  193   2HG   LYS  25          2HG       LYS  25   7.858   6.565  -2.750
  194   1HD   LYS  25          1HD       LYS  25  10.096   6.701  -1.671
  195   2HD   LYS  25          2HD       LYS  25  10.394   4.998  -2.081
  196   1HE   LYS  25          1HE       LYS  25  10.168   5.534  -4.497
  197   2HE   LYS  25          2HE       LYS  25   9.861   7.235  -4.093
  198   1HZ   LYS  25          3HZ       LYS  25  12.042   7.320  -3.110
  199   2HZ   LYS  25          1HZ       LYS  25  12.331   5.747  -3.522
  200   3HZ   LYS  25          2HZ       LYS  25  12.120   6.882  -4.697
  201    H    GLU  26           H        GLU  26   6.136   5.864   1.323
  202    HA   GLU  26           HA       GLU  26   6.512   3.427   2.765
  203   1HB   GLU  26          1HB       GLU  26   5.152   5.988   3.784
  204   2HB   GLU  26          2HB       GLU  26   5.939   4.723   4.742
  205   1HG   GLU  26          1HG       GLU  26   8.069   5.263   3.422
  206   2HG   GLU  26          2HG       GLU  26   7.257   6.728   2.856
  207    H    GLU  27           H        GLU  27   3.630   5.221   1.848
  208    HA   GLU  27           HA       GLU  27   1.741   3.524   3.179
  209   1HB   GLU  27          1HB       GLU  27   1.399   5.149   0.634
  210   2HB   GLU  27          2HB       GLU  27   0.099   4.435   1.616
  211   1HG   GLU  27          1HG       GLU  27   0.722   5.763   3.558
  212   2HG   GLU  27          2HG       GLU  27   2.084   6.488   2.699
  213    H    LEU  28           H        LEU  28   3.080   3.393  -0.218
  214    HA   LEU  28           HA       LEU  28   1.892   0.879  -0.820
  215   1HB   LEU  28          1HB       LEU  28   4.405   2.280  -1.775
  216   2HB   LEU  28          2HB       LEU  28   4.031   0.642  -2.336
  217    HG   LEU  28           HG       LEU  28   1.914   2.740  -2.344
  218   1HD1  LEU  28          3HD1      LEU  28   3.761   3.810  -3.470
  219   2HD1  LEU  28          1HD1      LEU  28   3.990   2.377  -4.520
  220   3HD1  LEU  28          2HD1      LEU  28   2.507   3.361  -4.637
  221   1HD2  LEU  28          1HD2      LEU  28   1.286   0.356  -2.910
  222   2HD2  LEU  28          2HD2      LEU  28   1.080   1.411  -4.317
  223   3HD2  LEU  28          3HD2      LEU  28   2.501   0.362  -4.199
  224    H    LYS  29           H        LYS  29   4.893   1.547   0.960
  225    HA   LYS  29           HA       LYS  29   5.718  -1.188   0.933
  226   1HB   LYS  29          1HB       LYS  29   7.044   0.891   1.636
  227   2HB   LYS  29          2HB       LYS  29   6.143   0.907   3.125
  228   1HG   LYS  29          1HG       LYS  29   7.009  -1.410   3.654
  229   2HG   LYS  29          2HG       LYS  29   7.964  -1.351   2.159
  230   1HD   LYS  29          1HD       LYS  29   9.166   0.659   3.025
  231   2HD   LYS  29          2HD       LYS  29   8.195   0.592   4.510
  232   1HE   LYS  29          1HE       LYS  29   9.104  -1.673   5.007
  233   2HE   LYS  29          2HE       LYS  29  10.079  -1.606   3.526
  234   1HZ   LYS  29          1HZ       LYS  29  10.303   0.229   5.808
  235   2HZ   LYS  29          2HZ       LYS  29  11.337  -1.002   5.448
  236   3HZ   LYS  29          3HZ       LYS  29  11.211   0.291   4.434
  237    H    LEU  30           H        LEU  30   3.882   0.668   3.327
  238    HA   LEU  30           HA       LEU  30   3.313  -1.565   5.024
  239   1HB   LEU  30          1HB       LEU  30   2.063   1.167   4.657
  240   2HB   LEU  30          2HB       LEU  30   1.209  -0.061   5.593
  241    HG   LEU  30           HG       LEU  30   3.111  -0.370   7.093
  242   1HD1  LEU  30          3HD1      LEU  30   4.995   0.348   5.636
  243   2HD1  LEU  30          1HD1      LEU  30   4.369   2.015   5.669
  244   3HD1  LEU  30          2HD1      LEU  30   4.957   1.251   7.153
  245   1HD2  LEU  30          1HD2      LEU  30   1.297   1.189   7.656
  246   2HD2  LEU  30          2HD2      LEU  30   2.845   1.775   8.289
  247   3HD2  LEU  30          3HD2      LEU  30   2.153   2.510   6.828
  248    H    LEU  31           H        LEU  31   1.429  -0.241   2.333
  249    HA   LEU  31           HA       LEU  31  -0.735  -2.040   2.374
  250   1HB   LEU  31          1HB       LEU  31  -0.494  -0.028   0.957
  251   2HB   LEU  31          2HB       LEU  31   0.665  -0.865  -0.066
  252    HG   LEU  31           HG       LEU  31  -2.163  -1.867   0.367
  253   1HD1  LEU  31          3HD1      LEU  31  -2.244   0.446  -0.519
  254   2HD1  LEU  31          1HD1      LEU  31  -1.093  -0.004  -1.796
  255   3HD1  LEU  31          2HD1      LEU  31  -2.721  -0.702  -1.779
  256   1HD2  LEU  31          3HD2      LEU  31  -0.086  -2.397  -1.809
  257   2HD2  LEU  31          1HD2      LEU  31  -0.801  -3.587  -0.696
  258   3HD2  LEU  31          2HD2      LEU  31  -1.796  -2.847  -1.942
  259    H    LEU  32           H        LEU  32   2.336  -2.322   0.638
  260    HA   LEU  32           HA       LEU  32   1.910  -4.900  -0.489
  261   1HB   LEU  32          1HB       LEU  32   4.436  -3.390   0.280
  262   2HB   LEU  32          2HB       LEU  32   4.488  -4.954  -0.529
  263    HG   LEU  32           HG       LEU  32   2.954  -2.633  -1.754
  264   1HD1  LEU  32          1HD1      LEU  32   5.894  -3.362  -2.154
  265   2HD1  LEU  32          2HD1      LEU  32   4.980  -2.165  -3.097
  266   3HD1  LEU  32          3HD1      LEU  32   5.291  -1.883  -1.379
  267   1HD2  LEU  32          3HD2      LEU  32   4.268  -5.130  -2.886
  268   2HD2  LEU  32          1HD2      LEU  32   2.516  -4.883  -2.683
  269   3HD2  LEU  32          2HD2      LEU  32   3.425  -3.888  -3.832
  270    H    GLN  33           H        GLN  33   3.659  -3.953   2.494
  271    HA   GLN  33           HA       GLN  33   4.351  -6.520   3.325
  272   1HB   GLN  33          1HB       GLN  33   5.237  -4.374   4.232
  273   2HB   GLN  33          2HB       GLN  33   3.689  -4.091   5.046
  274   1HG   GLN  33          1HG       GLN  33   4.060  -6.157   6.410
  275   2HG   GLN  33          2HG       GLN  33   5.581  -6.434   5.545
  276   1HE2  GLN  33          1HE2      GLN  33   5.339  -3.302   8.245
  277   2HE2  GLN  33          2HE2      GLN  33   3.877  -3.871   7.457
  278    H    THR  34           H        THR  34   1.384  -4.706   4.052
  279    HA   THR  34           HA       THR  34   0.423  -6.783   5.846
  280    HB   THR  34           HB       THR  34  -1.317  -4.711   4.497
  281    HG1  THR  34           HG1      THR  34   0.494  -3.668   5.441
  282   1HG2  THR  34          1HG2      THR  34  -1.405  -6.098   7.223
  283   2HG2  THR  34          2HG2      THR  34  -2.574  -4.892   6.667
  284   3HG2  THR  34          3HG2      THR  34  -2.469  -6.452   5.845
  285    H    GLU  35           H        GLU  35  -0.471  -5.788   2.485
  286    HA   GLU  35           HA       GLU  35  -2.482  -7.919   2.373
  287   1HB   GLU  35          1HB       GLU  35  -1.765  -5.546   0.600
  288   2HB   GLU  35          2HB       GLU  35  -3.047  -6.693   0.234
  289   1HG   GLU  35          1HG       GLU  35  -2.823  -4.974   2.779
  290   2HG   GLU  35          2HG       GLU  35  -3.735  -4.526   1.357
  291    H    PHE  36           H        PHE  36   0.614  -7.097   0.859
  292    HA   PHE  36           HA       PHE  36   0.440  -9.572  -0.815
  293   1HB   PHE  36          1HB       PHE  36   1.323  -6.873  -1.836
  294   2HB   PHE  36          2HB       PHE  36   1.093  -8.361  -2.746
  295    HD1  PHE  36           HD1      PHE  36  -1.593  -9.295  -2.049
  296    HD2  PHE  36           HD2      PHE  36  -0.169  -5.260  -2.635
  297    HE1  PHE  36           HE1      PHE  36  -3.811  -8.630  -2.907
  298    HE2  PHE  36           HE2      PHE  36  -2.390  -4.633  -3.567
  299    HZ   PHE  36           HZ       PHE  36  -4.194  -6.311  -3.690
  300    HA   PRO  37           HA       PRO  37   4.656  -9.226   1.338
  301   1HB   PRO  37          1HB       PRO  37   3.777 -12.121   1.531
  302   2HB   PRO  37          2HB       PRO  37   4.857 -11.212   2.629
  303   1HG   PRO  37          1HG       PRO  37   2.257 -11.583   3.302
  304   2HG   PRO  37          2HG       PRO  37   3.006  -9.974   3.516
  305   1HD   PRO  37          1HD       PRO  37   1.169 -10.889   1.297
  306   2HD   PRO  37          2HD       PRO  37   1.227  -9.348   2.203
  307    H    SER  38           H        SER  38   2.956 -11.211  -1.065
  308    HA   SER  38           HA       SER  38   5.047 -12.643  -2.324
  309   1HB   SER  38          1HB       SER  38   3.232 -12.383  -4.223
  310   2HB   SER  38          2HB       SER  38   2.804 -13.272  -2.746
  311    HG   SER  38           HG       SER  38   1.217 -11.678  -3.288
  312    H    LEU  39           H        LEU  39   3.433  -9.555  -3.001
  313    HA   LEU  39           HA       LEU  39   5.245  -8.788  -5.137
  314   1HB   LEU  39          1HB       LEU  39   3.149  -7.329  -3.520
  315   2HB   LEU  39          2HB       LEU  39   4.065  -6.554  -4.834
  316    HG   LEU  39           HG       LEU  39   2.231  -8.972  -5.152
  317   1HD1  LEU  39          1HD1      LEU  39   1.951  -6.027  -5.885
  318   2HD1  LEU  39          2HD1      LEU  39   0.808  -7.294  -6.368
  319   3HD1  LEU  39          3HD1      LEU  39   1.009  -6.888  -4.656
  320   1HD2  LEU  39          3HD2      LEU  39   3.783  -7.324  -7.206
  321   2HD2  LEU  39          1HD2      LEU  39   3.958  -9.065  -6.887
  322   3HD2  LEU  39          2HD2      LEU  39   2.473  -8.451  -7.609
  323    H    LEU  40           H        LEU  40   4.989  -8.041  -1.679
  324    HA   LEU  40           HA       LEU  40   6.940  -6.016  -1.549
  325   1HB   LEU  40          1HB       LEU  40   5.516  -6.892   0.402
  326   2HB   LEU  40          2HB       LEU  40   6.648  -8.242   0.494
  327    HG   LEU  40           HG       LEU  40   8.513  -6.418   0.708
  328   1HD1  LEU  40          3HD1      LEU  40   7.064  -4.460   0.148
  329   2HD1  LEU  40          1HD1      LEU  40   6.078  -4.803   1.587
  330   3HD1  LEU  40          2HD1      LEU  40   7.777  -4.329   1.762
  331   1HD2  LEU  40          3HD2      LEU  40   6.530  -6.936   2.948
  332   2HD2  LEU  40          1HD2      LEU  40   7.906  -7.958   2.498
  333   3HD2  LEU  40          2HD2      LEU  40   8.188  -6.333   3.144
  334    H    LYS  41           H        LYS  41   7.377  -9.541  -1.387
  335    HA   LYS  41           HA       LYS  41  10.266  -9.479  -1.434
  336   1HB   LYS  41          1HB       LYS  41   8.203 -11.631  -2.054
  337   2HB   LYS  41          2HB       LYS  41   9.956 -11.895  -1.996
  338   1HG   LYS  41          1HG       LYS  41  10.076 -11.374   0.338
  339   2HG   LYS  41          2HG       LYS  41   8.444 -10.706   0.356
  340   1HD   LYS  41          1HD       LYS  41   8.463 -12.850   1.439
  341   2HD   LYS  41          2HD       LYS  41   7.441 -12.901   0.003
  342   1HE   LYS  41          1HE       LYS  41  10.344 -13.856  -0.057
  343   2HE   LYS  41          2HE       LYS  41   9.035 -14.901   0.512
  344   1HZ   LYS  41          3HZ       LYS  41   7.946 -14.652  -1.573
  345   2HZ   LYS  41          1HZ       LYS  41   9.148 -13.691  -2.151
  346   3HZ   LYS  41          2HZ       LYS  41   9.464 -15.260  -1.776
  347    H    GLY  42           H        GLY  42   7.766 -10.063  -3.880
  348   1HA   GLY  42          1HA       GLY  42   9.592 -10.546  -6.052
  349   2HA   GLY  42          2HA       GLY  42   7.837 -10.349  -6.139
  350    H    GLY  43           H        GLY  43  10.670  -8.251  -5.331
  351   1HA   GLY  43          1HA       GLY  43  10.288  -6.641  -7.720
  352   2HA   GLY  43          2HA       GLY  43   9.881  -5.783  -6.212
  353    H    SER  44           H        SER  44  12.219  -5.369  -8.103
  354    HA   SER  44           HA       SER  44  14.573  -6.427  -6.918
  355   1HB   SER  44          1HB       SER  44  14.376  -3.775  -8.385
  356   2HB   SER  44          2HB       SER  44  15.727  -4.924  -8.339
  357    HG   SER  44           HG       SER  44  14.527  -5.147 -10.280
  358    H    THR  45           H        THR  45  12.732  -3.420  -6.419
  359    HA   THR  45           HA       THR  45  13.539  -3.236  -3.678
  360    HB   THR  45           HB       THR  45  14.211  -0.816  -3.836
  361    HG1  THR  45           HG1      THR  45  14.625  -1.362  -6.574
  362   1HG2  THR  45          3HG2      THR  45  15.979  -2.579  -3.620
  363   2HG2  THR  45          1HG2      THR  45  16.193  -2.525  -5.385
  364   3HG2  THR  45          2HG2      THR  45  16.511  -1.083  -4.412
  365    H    LEU  46           H        LEU  46  12.120  -1.673  -2.596
  366    HA   LEU  46           HA       LEU  46   9.480  -1.397  -3.552
  367   1HB   LEU  46          1HB       LEU  46  10.092  -1.098  -1.190
  368   2HB   LEU  46          2HB       LEU  46  11.161   0.246  -1.606
  369    HG   LEU  46           HG       LEU  46   9.190   1.603  -2.312
  370   1HD1  LEU  46          1HD1      LEU  46   7.596  -0.750  -1.184
  371   2HD1  LEU  46          2HD1      LEU  46   6.925   0.839  -1.600
  372   3HD1  LEU  46          3HD1      LEU  46   7.582  -0.196  -2.874
  373   1HD2  LEU  46          3HD2      LEU  46   9.129   0.476   0.508
  374   2HD2  LEU  46          1HD2      LEU  46  10.144   1.812  -0.072
  375   3HD2  LEU  46          2HD2      LEU  46   8.385   2.004  -0.014
  376    H    ASP  47           H        ASP  47  12.284   0.764  -3.758
  377    HA   ASP  47           HA       ASP  47  11.130   2.931  -5.078
  378   1HB   ASP  47          1HB       ASP  47  13.947   1.789  -5.352
  379   2HB   ASP  47          2HB       ASP  47  13.447   3.433  -5.771
  380    H    GLU  48           H        GLU  48  12.763   0.101  -6.507
  381    HA   GLU  48           HA       GLU  48  12.241   0.740  -9.208
  382   1HB   GLU  48          1HB       GLU  48  13.791  -0.972  -8.718
  383   2HB   GLU  48          2HB       GLU  48  12.607  -1.923  -7.813
  384   1HG   GLU  48          1HG       GLU  48  12.206  -1.361 -10.769
  385   2HG   GLU  48          2HG       GLU  48  13.272  -2.659 -10.233
  386    H    LEU  49           H        LEU  49  10.226  -1.207  -6.991
  387    HA   LEU  49           HA       LEU  49   8.115  -1.638  -8.870
  388   1HB   LEU  49          1HB       LEU  49   7.976  -1.317  -5.840
  389   2HB   LEU  49          2HB       LEU  49   6.624  -1.844  -6.840
  390    HG   LEU  49           HG       LEU  49   9.268  -3.345  -6.603
  391   1HD1  LEU  49          1HD1      LEU  49   6.538  -3.844  -5.327
  392   2HD1  LEU  49          2HD1      LEU  49   7.937  -4.928  -5.216
  393   3HD1  LEU  49          3HD1      LEU  49   8.009  -3.321  -4.479
  394   1HD2  LEU  49          3HD2      LEU  49   6.610  -4.055  -7.930
  395   2HD2  LEU  49          1HD2      LEU  49   8.184  -3.864  -8.735
  396   3HD2  LEU  49          2HD2      LEU  49   7.919  -5.211  -7.628
  397    H    PHE  50           H        PHE  50   8.576   0.998  -6.556
  398    HA   PHE  50           HA       PHE  50   6.199   2.419  -7.092
  399   1HB   PHE  50          1HB       PHE  50   7.796   2.770  -5.196
  400   2HB   PHE  50          2HB       PHE  50   8.963   3.463  -6.305
  401    HD1  PHE  50           HD1      PHE  50   5.709   3.943  -4.655
  402    HD2  PHE  50           HD2      PHE  50   8.779   5.784  -7.044
  403    HE1  PHE  50           HE1      PHE  50   4.957   6.166  -3.889
  404    HE2  PHE  50           HE2      PHE  50   8.106   8.007  -6.179
  405    HZ   PHE  50           HZ       PHE  50   6.311   8.167  -4.460
  406    H    GLU  51           H        GLU  51   9.442   2.780  -8.582
  407    HA   GLU  51           HA       GLU  51   8.725   4.839 -10.420
  408   1HB   GLU  51          1HB       GLU  51  10.861   2.664 -10.484
  409   2HB   GLU  51          2HB       GLU  51  10.783   3.988 -11.654
  410   1HG   GLU  51          1HG       GLU  51  11.231   5.648 -10.007
  411   2HG   GLU  51          2HG       GLU  51  10.906   4.554  -8.662
  412    H    GLU  52           H        GLU  52   8.722   1.301 -10.704
  413    HA   GLU  52           HA       GLU  52   7.948   1.138 -13.414
  414   1HB   GLU  52          1HB       GLU  52   8.807  -0.713 -11.958
  415   2HB   GLU  52          2HB       GLU  52   7.227  -0.819 -11.184
  416   1HG   GLU  52          1HG       GLU  52   7.727  -1.184 -14.178
  417   2HG   GLU  52          2HG       GLU  52   7.709  -2.505 -13.004
  418    H    LEU  53           H        LEU  53   5.971   1.339 -10.459
  419    HA   LEU  53           HA       LEU  53   3.462   1.165 -11.865
  420   1HB   LEU  53          1HB       LEU  53   4.226   2.086  -9.076
  421   2HB   LEU  53          2HB       LEU  53   2.569   1.909  -9.645
  422    HG   LEU  53           HG       LEU  53   4.569  -0.397  -9.629
  423   1HD1  LEU  53          3HD1      LEU  53   4.157   0.461  -7.340
  424   2HD1  LEU  53          1HD1      LEU  53   2.406   0.284  -7.600
  425   3HD1  LEU  53          2HD1      LEU  53   3.463  -1.149  -7.590
  426   1HD2  LEU  53          3HD2      LEU  53   1.546  -0.358  -9.945
  427   2HD2  LEU  53          1HD2      LEU  53   2.743  -0.771 -11.193
  428   3HD2  LEU  53          2HD2      LEU  53   2.572  -1.808  -9.788
  429    H    ASP  54           H        ASP  54   5.340   3.884 -10.606
  430    HA   ASP  54           HA       ASP  54   3.279   5.819 -11.057
  431   1HB   ASP  54          1HB       ASP  54   4.947   6.093  -9.307
  432   2HB   ASP  54          2HB       ASP  54   6.230   6.177 -10.510
  433    H    LYS  55           H        LYS  55   3.007   4.947 -13.389
  434    HA   LYS  55           HA       LYS  55   4.601   5.734 -15.551
  435   1HB   LYS  55          1HB       LYS  55   1.661   5.254 -15.125
  436   2HB   LYS  55          2HB       LYS  55   2.109   6.187 -16.552
  437   1HG   LYS  55          1HG       LYS  55   1.958   3.890 -17.177
  438   2HG   LYS  55          2HG       LYS  55   3.631   4.446 -17.320
  439   1HD   LYS  55          1HD       LYS  55   4.158   3.327 -15.125
  440   2HD   LYS  55          2HD       LYS  55   2.481   2.762 -15.042
  441   1HE   LYS  55          1HE       LYS  55   2.837   1.584 -17.260
  442   2HE   LYS  55          2HE       LYS  55   4.531   2.117 -17.221
  443   1HZ   LYS  55          3HZ       LYS  55   4.747   0.921 -15.133
  444   2HZ   LYS  55          1HZ       LYS  55   3.208   0.368 -15.287
  445   3HZ   LYS  55          2HZ       LYS  55   4.351  -0.078 -16.388
  446    H    ASN  56           H        ASN  56   2.326   7.740 -13.709
  447    HA   ASN  56           HA       ASN  56   2.646   9.970 -15.535
  448   1HB   ASN  56          1HB       ASN  56   1.216  11.227 -14.237
  449   2HB   ASN  56          2HB       ASN  56   0.596   9.576 -14.184
  450   1HD2  ASN  56          1HD2      ASN  56   0.200  10.260 -10.710
  451   2HD2  ASN  56          2HD2      ASN  56  -0.632  10.044 -12.243
  452    H    GLY  57           H        GLY  57   4.705   8.771 -13.076
  453   1HA   GLY  57          1HA       GLY  57   6.750   9.450 -12.435
  454   2HA   GLY  57          2HA       GLY  57   6.701  10.640 -13.739
  455    H    ASP  58           H        ASP  58   4.159  10.983 -11.286
  456    HA   ASP  58           HA       ASP  58   5.300  13.531 -10.564
  457   1HB   ASP  58          1HB       ASP  58   3.298  14.009  -9.591
  458   2HB   ASP  58          2HB       ASP  58   2.843  13.016 -10.965
  459    H    GLY  59           H        GLY  59   5.999  10.461  -9.374
  460   1HA   GLY  59          1HA       GLY  59   7.438   9.953  -7.657
  461   2HA   GLY  59          2HA       GLY  59   7.349  11.607  -7.036
  462    H    GLU  60           H        GLU  60   4.484   9.656  -7.760
  463    HA   GLU  60           HA       GLU  60   4.120   8.375  -5.197
  464   1HB   GLU  60          1HB       GLU  60   2.258  10.606  -6.094
  465   2HB   GLU  60          2HB       GLU  60   1.890   9.376  -4.865
  466   1HG   GLU  60          1HG       GLU  60   3.951  10.237  -3.594
  467   2HG   GLU  60          2HG       GLU  60   3.869  11.653  -4.662
  468    H    VAL  61           H        VAL  61   1.884   7.193  -5.445
  469    HA   VAL  61           HA       VAL  61   1.535   6.468  -8.349
  470    HB   VAL  61           HB       VAL  61   1.199   4.532  -6.062
  471   1HG1  VAL  61          3HG1      VAL  61   0.189   4.072  -8.359
  472   2HG1  VAL  61          1HG1      VAL  61   1.853   4.133  -9.006
  473   3HG1  VAL  61          2HG1      VAL  61   1.391   2.882  -7.829
  474   1HG2  VAL  61          3HG2      VAL  61   3.707   5.118  -7.709
  475   2HG2  VAL  61          1HG2      VAL  61   3.547   5.188  -5.944
  476   3HG2  VAL  61          2HG2      VAL  61   3.472   3.631  -6.782
  477    H    SER  62           H        SER  62  -0.395   7.153  -9.034
  478    HA   SER  62           HA       SER  62  -2.607   7.683  -7.224
  479   1HB   SER  62          1HB       SER  62  -3.810   8.293  -9.297
  480   2HB   SER  62          2HB       SER  62  -2.278   9.147  -9.109
  481    HG   SER  62           HG       SER  62  -1.351   7.851 -10.632
  482    H    PHE  63           H        PHE  63  -4.698   6.621  -7.300
  483    HA   PHE  63           HA       PHE  63  -4.655   3.843  -7.383
  484   1HB   PHE  63          1HB       PHE  63  -6.450   5.100  -6.302
  485   2HB   PHE  63          2HB       PHE  63  -7.058   5.637  -7.872
  486    HD1  PHE  63           HD1      PHE  63  -6.230   2.485  -5.992
  487    HD2  PHE  63           HD2      PHE  63  -8.728   4.293  -8.994
  488    HE1  PHE  63           HE1      PHE  63  -7.569   0.419  -6.102
  489    HE2  PHE  63           HE2      PHE  63 -10.039   2.195  -9.145
  490    HZ   PHE  63           HZ       PHE  63  -9.494   0.266  -7.640
  491    H    GLU  64           H        GLU  64  -5.237   6.013 -10.104
  492    HA   GLU  64           HA       GLU  64  -6.199   4.074 -11.953
  493   1HB   GLU  64          1HB       GLU  64  -4.535   6.606 -12.403
  494   2HB   GLU  64          2HB       GLU  64  -5.338   5.670 -13.676
  495   1HG   GLU  64          1HG       GLU  64  -7.537   6.095 -12.640
  496   2HG   GLU  64          2HG       GLU  64  -6.773   7.004 -11.326
  497    H    GLU  65           H        GLU  65  -2.821   5.382 -11.732
  498    HA   GLU  65           HA       GLU  65  -1.860   3.313 -13.455
  499   1HB   GLU  65          1HB       GLU  65   0.324   4.218 -13.107
  500   2HB   GLU  65          2HB       GLU  65  -0.856   5.521 -13.297
  501   1HG   GLU  65          1HG       GLU  65  -0.910   5.467 -10.649
  502   2HG   GLU  65          2HG       GLU  65   0.623   4.615 -10.824
  503    H    PHE  66           H        PHE  66  -2.187   3.466  -9.920
  504    HA   PHE  66           HA       PHE  66  -0.714   1.222  -9.111
  505   1HB   PHE  66          1HB       PHE  66  -1.785   2.465  -7.482
  506   2HB   PHE  66          2HB       PHE  66  -3.309   2.454  -8.350
  507    HD1  PHE  66           HD1      PHE  66  -1.147   0.283  -6.229
  508    HD2  PHE  66           HD2      PHE  66  -4.979   0.826  -8.106
  509    HE1  PHE  66           HE1      PHE  66  -2.100  -1.537  -4.824
  510    HE2  PHE  66           HE2      PHE  66  -5.894  -1.106  -6.845
  511    HZ   PHE  66           HZ       PHE  66  -4.464  -2.225  -5.107
  512    H    GLN  67           H        GLN  67  -3.694   1.265 -11.138
  513    HA   GLN  67           HA       GLN  67  -4.300  -1.487 -10.771
  514   1HB   GLN  67          1HB       GLN  67  -4.790   0.301 -13.163
  515   2HB   GLN  67          2HB       GLN  67  -5.425  -1.335 -12.996
  516   1HG   GLN  67          1HG       GLN  67  -5.977   0.916 -11.008
  517   2HG   GLN  67          2HG       GLN  67  -7.063   0.407 -12.298
  518   1HE2  GLN  67          1HE2      GLN  67  -7.420  -1.527  -8.856
  519   2HE2  GLN  67          2HE2      GLN  67  -6.689   0.059  -8.986
  520    H    VAL  68           H        VAL  68  -1.522  -0.120 -12.408
  521    HA   VAL  68           HA       VAL  68  -0.841  -2.366 -14.035
  522    HB   VAL  68           HB       VAL  68   0.863  -0.343 -12.547
  523   1HG1  VAL  68          1HG1      VAL  68   1.714  -2.380 -14.653
  524   2HG1  VAL  68          2HG1      VAL  68   2.709  -1.046 -14.030
  525   3HG1  VAL  68          3HG1      VAL  68   2.242  -2.350 -12.957
  526   1HG2  VAL  68          1HG2      VAL  68  -0.613   0.547 -14.387
  527   2HG2  VAL  68          2HG2      VAL  68   1.108   0.679 -14.762
  528   3HG2  VAL  68          3HG2      VAL  68   0.136  -0.608 -15.503
  529    H    LEU  69           H        LEU  69  -0.665  -1.832 -10.511
  530    HA   LEU  69           HA       LEU  69   1.038  -4.107  -9.951
  531   1HB   LEU  69          1HB       LEU  69   0.763  -2.179  -8.435
  532   2HB   LEU  69          2HB       LEU  69  -0.940  -2.546  -8.203
  533    HG   LEU  69           HG       LEU  69   1.057  -4.685  -7.534
  534   1HD1  LEU  69          1HD1      LEU  69   0.463  -2.230  -5.821
  535   2HD1  LEU  69          2HD1      LEU  69   1.285  -3.694  -5.245
  536   3HD1  LEU  69          3HD1      LEU  69   2.038  -2.699  -6.498
  537   1HD2  LEU  69          3HD2      LEU  69  -1.573  -3.732  -6.277
  538   2HD2  LEU  69          1HD2      LEU  69  -1.374  -5.189  -7.264
  539   3HD2  LEU  69          2HD2      LEU  69  -0.594  -5.082  -5.686
  540    H    VAL  70           H        VAL  70  -2.465  -3.426 -10.002
  541    HA   VAL  70           HA       VAL  70  -3.338  -6.013  -9.190
  542    HB   VAL  70           HB       VAL  70  -4.794  -4.017 -11.002
  543   1HG1  VAL  70          1HG1      VAL  70  -5.803  -6.218  -9.151
  544   2HG1  VAL  70          2HG1      VAL  70  -6.819  -5.037 -10.009
  545   3HG1  VAL  70          3HG1      VAL  70  -5.877  -6.220 -10.924
  546   1HG2  VAL  70          3HG2      VAL  70  -4.447  -4.176  -7.993
  547   2HG2  VAL  70          1HG2      VAL  70  -4.107  -2.794  -9.017
  548   3HG2  VAL  70          2HG2      VAL  70  -5.783  -3.274  -8.756
  549    H    LYS  71           H        LYS  71  -2.681  -4.624 -12.433
  550    HA   LYS  71           HA       LYS  71  -3.199  -6.931 -13.968
  551   1HB   LYS  71          1HB       LYS  71  -2.838  -4.898 -15.097
  552   2HB   LYS  71          2HB       LYS  71  -1.274  -4.627 -14.330
  553   1HG   LYS  71          1HG       LYS  71  -0.250  -6.450 -15.522
  554   2HG   LYS  71          2HG       LYS  71  -1.814  -6.923 -16.238
  555   1HD   LYS  71          1HD       LYS  71  -1.941  -4.712 -17.380
  556   2HD   LYS  71          2HD       LYS  71  -0.386  -4.249 -16.658
  557   1HE   LYS  71          1HE       LYS  71   0.724  -6.142 -17.836
  558   2HE   LYS  71          2HE       LYS  71  -0.831  -6.610 -18.550
  559   1HZ   LYS  71          3HZ       LYS  71  -0.899  -4.489 -19.642
  560   2HZ   LYS  71          1HZ       LYS  71   0.546  -4.053 -18.980
  561   3HZ   LYS  71          2HZ       LYS  71   0.473  -5.307 -20.047
  562    H    LYS  72           H        LYS  72  -0.096  -5.959 -12.486
  563    HA   LYS  72           HA       LYS  72   1.299  -8.343 -13.031
  564   1HB   LYS  72          1HB       LYS  72   1.598  -6.300 -10.836
  565   2HB   LYS  72          2HB       LYS  72   2.388  -7.860 -10.650
  566   1HG   LYS  72          1HG       LYS  72   4.004  -6.484 -11.604
  567   2HG   LYS  72          2HG       LYS  72   3.470  -7.572 -12.890
  568   1HD   LYS  72          1HD       LYS  72   2.002  -5.699 -13.770
  569   2HD   LYS  72          2HD       LYS  72   2.589  -4.685 -12.439
  570   1HE   LYS  72          1HE       LYS  72   3.787  -4.121 -14.476
  571   2HE   LYS  72          2HE       LYS  72   4.898  -4.825 -13.293
  572   1HZ   LYS  72          1HZ       LYS  72   3.674  -6.253 -15.555
  573   2HZ   LYS  72          2HZ       LYS  72   5.223  -5.693 -15.495
  574   3HZ   LYS  72          3HZ       LYS  72   4.745  -6.895 -14.477
  575    H    ILE  73           H        ILE  73  -0.889  -7.784 -10.274
  576    HA   ILE  73           HA       ILE  73  -0.540 -10.402  -9.155
  577    HB   ILE  73           HB       ILE  73  -3.003  -8.616  -9.004
  578   1HG1  ILE  73          1HG1      ILE  73  -0.639  -9.060  -7.125
  579   2HG1  ILE  73          2HG1      ILE  73  -1.016  -7.585  -8.029
  580   1HG2  ILE  73          3HG2      ILE  73  -3.570 -11.004  -8.526
  581   2HG2  ILE  73          1HG2      ILE  73  -2.273 -11.047  -7.314
  582   3HG2  ILE  73          2HG2      ILE  73  -3.696 -10.006  -7.102
  583   1HD1  ILE  73          3HD1      ILE  73  -3.156  -7.376  -6.735
  584   2HD1  ILE  73          1HD1      ILE  73  -2.599  -8.721  -5.703
  585   3HD1  ILE  73          2HD1      ILE  73  -1.674  -7.227  -5.768
  586    H    SER  74           H        SER  74  -2.882  -9.224 -11.533
  587    HA   SER  74           HA       SER  74  -4.350 -10.128 -12.909
  588   1HB   SER  74          1HB       SER  74  -2.033 -11.965 -12.987
  589   2HB   SER  74          2HB       SER  74  -3.519 -12.524 -13.803
  590    HG   SER  74           HG       SER  74  -2.172 -10.054 -14.208
  591    H    GLN  75           H        GLN  75  -3.617 -12.460 -10.344
  592    HA   GLN  75           HA       GLN  75  -5.722 -14.235 -10.799
  593   1HB   GLN  75          1HB       GLN  75  -4.830 -13.476  -7.993
  594   2HB   GLN  75          2HB       GLN  75  -5.429 -15.025  -8.592
  595   1HG   GLN  75          1HG       GLN  75  -2.701 -13.771  -8.927
  596   2HG   GLN  75          2HG       GLN  75  -3.128 -15.343  -8.276
  597   1HE2  GLN  75          1HE2      GLN  75  -2.147 -15.076 -12.160
  598   2HE2  GLN  75          2HE2      GLN  75  -1.922 -13.750 -11.018
   
  No H/Q in entry =         598
  Start of MODEL           4
 Raw file had  599 H/Q atoms
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  -9.328 -11.037  -4.908
    2   2H    LYS   1          2H        LYS   1  -7.954 -10.100  -5.162
    3   3H    LYS   1          3H        LYS   1  -8.178 -10.883  -3.690
    4    HA   LYS   1           HA       LYS   1 -10.051  -9.535  -3.171
    5   1HB   LYS   1          1HB       LYS   1  -7.721  -7.852  -4.065
    6   2HB   LYS   1          2HB       LYS   1  -8.930  -7.487  -2.820
    7   1HG   LYS   1          1HG       LYS   1  -8.039  -9.826  -1.804
    8   2HG   LYS   1          2HG       LYS   1  -6.611  -9.428  -2.776
    9   1HD   LYS   1          1HD       LYS   1  -6.683  -7.112  -1.645
   10   2HD   LYS   1          2HD       LYS   1  -7.983  -7.770  -0.633
   11   1HE   LYS   1          1HE       LYS   1  -5.884  -7.865   0.609
   12   2HE   LYS   1          2HE       LYS   1  -6.357  -9.523   0.206
   13   1HZ   LYS   1          1HZ       LYS   1  -4.410  -7.902  -1.296
   14   2HZ   LYS   1          2HZ       LYS   1  -4.011  -9.046  -0.189
   15   3HZ   LYS   1          3HZ       LYS   1  -4.783  -9.477  -1.579
   16    H    SER   2           H        SER   2 -11.701  -8.136  -3.985
   17    HA   SER   2           HA       SER   2 -11.968  -7.943  -6.862
   18   1HB   SER   2          1HB       SER   2 -14.051  -6.731  -6.352
   19   2HB   SER   2          2HB       SER   2 -13.927  -8.213  -5.396
   20    HG   SER   2           HG       SER   2 -13.393  -7.025  -3.622
   21    HA   PRO   3           HA       PRO   3 -10.086  -3.903  -7.677
   22   1HB   PRO   3          1HB       PRO   3 -12.820  -3.322  -8.857
   23   2HB   PRO   3          2HB       PRO   3 -11.213  -2.856  -9.491
   24   1HG   PRO   3          1HG       PRO   3 -12.460  -5.028 -10.513
   25   2HG   PRO   3          2HG       PRO   3 -10.727  -5.140 -10.083
   26   1HD   PRO   3          1HD       PRO   3 -13.109  -6.129  -8.508
   27   2HD   PRO   3          2HD       PRO   3 -11.533  -6.921  -8.810
   28    H    GLU   4           H        GLU   4 -13.482  -3.971  -6.496
   29    HA   GLU   4           HA       GLU   4 -13.584  -1.464  -5.240
   30   1HB   GLU   4          1HB       GLU   4 -14.999  -4.023  -4.460
   31   2HB   GLU   4          2HB       GLU   4 -15.392  -2.375  -3.945
   32   1HG   GLU   4          1HG       GLU   4 -16.702  -2.269  -5.744
   33   2HG   GLU   4          2HG       GLU   4 -15.259  -2.013  -6.691
   34    H    GLU   5           H        GLU   5 -12.545  -4.609  -3.935
   35    HA   GLU   5           HA       GLU   5 -12.052  -3.639  -1.235
   36   1HB   GLU   5          1HB       GLU   5 -11.098  -6.080  -2.771
   37   2HB   GLU   5          2HB       GLU   5 -10.581  -5.739  -1.117
   38   1HG   GLU   5          1HG       GLU   5 -12.784  -5.891  -0.234
   39   2HG   GLU   5          2HG       GLU   5 -13.533  -5.867  -1.831
   40    H    LEU   6           H        LEU   6 -10.084  -4.110  -4.147
   41    HA   LEU   6           HA       LEU   6  -7.606  -3.236  -3.023
   42   1HB   LEU   6          1HB       LEU   6  -8.676  -3.179  -5.872
   43   2HB   LEU   6          2HB       LEU   6  -7.052  -2.766  -5.402
   44    HG   LEU   6           HG       LEU   6  -8.393  -5.502  -5.165
   45   1HD1  LEU   6          3HD1      LEU   6  -7.436  -4.843  -7.366
   46   2HD1  LEU   6          1HD1      LEU   6  -5.878  -4.545  -6.543
   47   3HD1  LEU   6          2HD1      LEU   6  -6.544  -6.193  -6.628
   48   1HD2  LEU   6          3HD2      LEU   6  -5.733  -4.591  -3.987
   49   2HD2  LEU   6          1HD2      LEU   6  -7.115  -5.340  -3.139
   50   3HD2  LEU   6          2HD2      LEU   6  -6.179  -6.282  -4.281
   51    H    LYS   7           H        LYS   7 -10.240  -1.373  -4.568
   52    HA   LYS   7           HA       LYS   7  -8.888   1.109  -4.339
   53   1HB   LYS   7          1HB       LYS   7 -11.019   0.552  -5.636
   54   2HB   LYS   7          2HB       LYS   7 -11.886   0.726  -4.119
   55   1HG   LYS   7          1HG       LYS   7 -10.954   3.045  -3.870
   56   2HG   LYS   7          2HG       LYS   7 -10.034   2.831  -5.371
   57   1HD   LYS   7          1HD       LYS   7 -12.152   2.599  -6.638
   58   2HD   LYS   7          2HD       LYS   7 -13.071   2.854  -5.134
   59   1HE   LYS   7          1HE       LYS   7 -11.974   5.076  -4.847
   60   2HE   LYS   7          2HE       LYS   7 -11.047   4.818  -6.334
   61   1HZ   LYS   7          1HZ       LYS   7 -13.975   4.985  -6.153
   62   2HZ   LYS   7          2HZ       LYS   7 -12.969   6.164  -6.712
   63   3HZ   LYS   7          3HZ       LYS   7 -13.112   4.744  -7.536
   64    H    GLY   8           H        GLY   8 -11.011  -0.658  -2.125
   65   1HA   GLY   8          1HA       GLY   8 -11.235   1.251  -0.027
   66   2HA   GLY   8          2HA       GLY   8 -11.279  -0.512   0.184
   67    H    ILE   9           H        ILE   9  -8.902  -1.376  -0.493
   68    HA   ILE   9           HA       ILE   9  -7.025  -0.835   1.568
   69    HB   ILE   9           HB       ILE   9  -6.893  -2.157  -1.152
   70   1HG1  ILE   9          1HG1      ILE   9  -6.918  -3.199   1.717
   71   2HG1  ILE   9          2HG1      ILE   9  -8.303  -3.161   0.615
   72   1HG2  ILE   9          3HG2      ILE   9  -4.623  -1.338  -0.669
   73   2HG2  ILE   9          1HG2      ILE   9  -4.694  -2.128   0.916
   74   3HG2  ILE   9          2HG2      ILE   9  -4.708  -3.085  -0.581
   75   1HD1  ILE   9          3HD1      ILE   9  -7.077  -4.677  -0.935
   76   2HD1  ILE   9          1HD1      ILE   9  -5.782  -4.830   0.278
   77   3HD1  ILE   9          2HD1      ILE   9  -7.416  -5.391   0.654
   78    H    PHE  10           H        PHE  10  -6.926   0.206  -1.872
   79    HA   PHE  10           HA       PHE  10  -4.644   1.764  -1.796
   80   1HB   PHE  10          1HB       PHE  10  -5.906   1.300  -3.845
   81   2HB   PHE  10          2HB       PHE  10  -7.250   2.264  -3.277
   82    HD1  PHE  10           HD2      PHE  10  -7.218   4.706  -3.209
   83    HD2  PHE  10           HD1      PHE  10  -3.862   2.418  -4.685
   84    HE1  PHE  10           HE2      PHE  10  -6.106   6.785  -3.910
   85    HE2  PHE  10           HE1      PHE  10  -2.769   4.530  -5.424
   86    HZ   PHE  10           HZ       PHE  10  -3.847   6.704  -4.928
   87    H    GLU  11           H        GLU  11  -7.985   2.813  -0.978
   88    HA   GLU  11           HA       GLU  11  -7.245   5.501  -0.304
   89   1HB   GLU  11          1HB       GLU  11  -9.663   3.802   0.433
   90   2HB   GLU  11          2HB       GLU  11  -9.495   5.517   0.843
   91   1HG   GLU  11          1HG       GLU  11  -9.307   6.128  -1.518
   92   2HG   GLU  11          2HG       GLU  11  -9.369   4.432  -2.008
   93    H    LYS  12           H        LYS  12  -7.903   2.625   1.731
   94    HA   LYS  12           HA       LYS  12  -7.507   3.616   4.289
   95   1HB   LYS  12          1HB       LYS  12  -8.264   1.401   4.015
   96   2HB   LYS  12          2HB       LYS  12  -6.887   0.943   2.997
   97   1HG   LYS  12          1HG       LYS  12  -5.385   0.770   4.741
   98   2HG   LYS  12          2HG       LYS  12  -6.401   1.708   5.865
   99   1HD   LYS  12          1HD       LYS  12  -6.375  -0.714   6.378
  100   2HD   LYS  12          2HD       LYS  12  -8.005  -0.105   6.043
  101   1HE   LYS  12          1HE       LYS  12  -8.000  -1.081   3.818
  102   2HE   LYS  12          2HE       LYS  12  -6.278  -1.486   3.944
  103   1HZ   LYS  12          1HZ       LYS  12  -8.424  -2.626   5.585
  104   2HZ   LYS  12          2HZ       LYS  12  -7.667  -3.371   4.325
  105   3HZ   LYS  12          3HZ       LYS  12  -6.823  -3.009   5.691
  106    H    TYR  13           H        TYR  13  -4.975   2.299   2.106
  107    HA   TYR  13           HA       TYR  13  -2.881   2.973   4.038
  108   1HB   TYR  13          1HB       TYR  13  -2.865   1.816   1.263
  109   2HB   TYR  13          2HB       TYR  13  -1.391   2.227   2.141
  110    HD1  TYR  13           HD1      TYR  13  -0.988   1.261   4.426
  111    HD2  TYR  13           HD2      TYR  13  -4.223  -0.156   2.018
  112    HE1  TYR  13           HE1      TYR  13  -1.080  -0.867   5.757
  113    HE2  TYR  13           HE2      TYR  13  -4.220  -2.298   3.175
  114    HH   TYR  13           HH       TYR  13  -3.451  -3.450   5.045
  115    H    ALA  14           H        ALA  14  -3.987   4.333   0.935
  116    HA   ALA  14           HA       ALA  14  -2.017   6.355   0.644
  117   1HB   ALA  14          3HB       ALA  14  -3.625   5.745  -1.130
  118   2HB   ALA  14          1HB       ALA  14  -4.941   6.455  -0.168
  119   3HB   ALA  14          2HB       ALA  14  -3.629   7.470  -0.804
  120    H    ALA  15           H        ALA  15  -5.071   6.500   2.435
  121    HA   ALA  15           HA       ALA  15  -4.756   9.217   3.286
  122   1HB   ALA  15          3HB       ALA  15  -6.910   7.921   3.373
  123   2HB   ALA  15          1HB       ALA  15  -6.210   6.910   4.662
  124   3HB   ALA  15          2HB       ALA  15  -6.490   8.639   4.946
  125    H    LYS  16           H        LYS  16  -3.039   6.359   4.326
  126    HA   LYS  16           HA       LYS  16  -2.650   7.238   7.049
  127   1HB   LYS  16          1HB       LYS  16  -2.588   4.873   6.180
  128   2HB   LYS  16          2HB       LYS  16  -1.001   5.226   5.469
  129   1HG   LYS  16          1HG       LYS  16  -0.197   5.890   7.767
  130   2HG   LYS  16          2HG       LYS  16  -1.748   5.331   8.422
  131   1HD   LYS  16          1HD       LYS  16   0.303   3.671   6.885
  132   2HD   LYS  16          2HD       LYS  16   0.007   3.611   8.630
  133   1HE   LYS  16          1HE       LYS  16  -2.369   2.865   8.129
  134   2HE   LYS  16          2HE       LYS  16  -1.924   2.756   6.414
  135   1HZ   LYS  16          3HZ       LYS  16  -0.256   1.170   6.999
  136   2HZ   LYS  16          1HZ       LYS  16  -0.668   1.255   8.593
  137   3HZ   LYS  16          2HZ       LYS  16  -1.743   0.665   7.494
  138    H    GLU  17           H        GLU  17  -2.044   9.412   6.622
  139    HA   GLU  17           HA       GLU  17  -0.477  11.043   6.837
  140   1HB   GLU  17          1HB       GLU  17   1.205   9.285   7.498
  141   2HB   GLU  17          2HB       GLU  17   1.721   9.192   5.811
  142   1HG   GLU  17          1HG       GLU  17   1.734  11.745   7.476
  143   2HG   GLU  17          2HG       GLU  17   3.114  10.654   7.305
  144    H    GLY  18           H        GLY  18  -0.270   9.012   3.945
  145   1HA   GLY  18          1HA       GLY  18   0.391  11.151   2.115
  146   2HA   GLY  18          2HA       GLY  18  -0.252   9.556   1.694
  147    H    ASP  19           H        ASP  19  -1.232  11.372   0.142
  148    HA   ASP  19           HA       ASP  19  -3.707  12.564   1.191
  149   1HB   ASP  19          1HB       ASP  19  -2.383  13.711  -0.572
  150   2HB   ASP  19          2HB       ASP  19  -2.644  12.338  -1.660
  151    HA   PRO  20           HA       PRO  20  -5.828   8.637   0.667
  152   1HB   PRO  20          1HB       PRO  20  -8.389   9.520  -0.048
  153   2HB   PRO  20          2HB       PRO  20  -7.748   9.369   1.613
  154   1HG   PRO  20          1HG       PRO  20  -7.842  11.827  -0.141
  155   2HG   PRO  20          2HG       PRO  20  -8.273  11.694   1.591
  156   1HD   PRO  20          1HD       PRO  20  -5.902  12.681   0.866
  157   2HD   PRO  20          2HD       PRO  20  -5.960  11.516   2.217
  158    H    ASN  21           H        ASN  21  -5.850  11.031  -1.962
  159    HA   ASN  21           HA       ASN  21  -6.829   9.142  -3.954
  160   1HB   ASN  21          1HB       ASN  21  -5.640  11.929  -4.219
  161   2HB   ASN  21          2HB       ASN  21  -6.461  11.009  -5.473
  162   1HD2  ASN  21          1HD2      ASN  21  -8.622  13.059  -2.699
  163   2HD2  ASN  21          2HD2      ASN  21  -6.869  12.939  -2.572
  164    H    GLN  22           H        GLN  22  -3.723   9.551  -2.482
  165    HA   GLN  22           HA       GLN  22  -2.361   8.344  -4.791
  166   1HB   GLN  22          1HB       GLN  22  -2.488  10.654  -5.436
  167   2HB   GLN  22          2HB       GLN  22  -1.787  11.184  -3.899
  168   1HG   GLN  22          1HG       GLN  22   0.312  10.435  -4.441
  169   2HG   GLN  22          2HG       GLN  22  -0.263   9.174  -5.547
  170   1HE2  GLN  22          1HE2      GLN  22   0.720  12.775  -7.092
  171   2HE2  GLN  22          2HE2      GLN  22   0.846  12.481  -5.360
  172    H    LEU  23           H        LEU  23  -1.039   6.821  -4.045
  173    HA   LEU  23           HA       LEU  23  -0.224   6.685  -1.254
  174   1HB   LEU  23          1HB       LEU  23   0.463   5.009  -3.676
  175   2HB   LEU  23          2HB       LEU  23   0.908   4.656  -2.027
  176    HG   LEU  23           HG       LEU  23  -2.022   4.950  -2.724
  177   1HD1  LEU  23          3HD1      LEU  23  -1.036   3.363  -4.367
  178   2HD1  LEU  23          1HD1      LEU  23  -0.317   2.456  -3.021
  179   3HD1  LEU  23          2HD1      LEU  23  -2.074   2.525  -3.180
  180   1HD2  LEU  23          1HD2      LEU  23  -1.198   4.697  -0.343
  181   2HD2  LEU  23          2HD2      LEU  23  -2.299   3.405  -0.855
  182   3HD2  LEU  23          3HD2      LEU  23  -0.549   3.112  -0.762
  183    H    SER  24           H        SER  24   1.842   7.273  -0.480
  184    HA   SER  24           HA       SER  24   4.004   7.791  -2.474
  185   1HB   SER  24          1HB       SER  24   5.153   9.023  -0.915
  186   2HB   SER  24          2HB       SER  24   3.484   9.517  -0.628
  187    HG   SER  24           HG       SER  24   3.460   8.306   1.205
  188    H    LYS  25           H        LYS  25   6.214   6.949  -1.260
  189    HA   LYS  25           HA       LYS  25   6.152   4.203  -1.758
  190   1HB   LYS  25          1HB       LYS  25   8.154   5.878  -0.156
  191   2HB   LYS  25          2HB       LYS  25   8.423   4.186  -0.596
  192   1HG   LYS  25          1HG       LYS  25   8.288   4.735  -2.983
  193   2HG   LYS  25          2HG       LYS  25   8.017   6.440  -2.595
  194   1HD   LYS  25          1HD       LYS  25  10.243   6.456  -1.383
  195   2HD   LYS  25          2HD       LYS  25  10.470   4.765  -1.853
  196   1HE   LYS  25          1HE       LYS  25  11.720   6.144  -3.386
  197   2HE   LYS  25          2HE       LYS  25  10.351   5.446  -4.268
  198   1HZ   LYS  25          1HZ       LYS  25  10.495   8.166  -3.150
  199   2HZ   LYS  25          2HZ       LYS  25  10.640   7.760  -4.741
  200   3HZ   LYS  25          3HZ       LYS  25   9.207   7.536  -3.962
  201    H    GLU  26           H        GLU  26   6.069   5.817   1.459
  202    HA   GLU  26           HA       GLU  26   6.341   3.326   2.836
  203   1HB   GLU  26          1HB       GLU  26   6.849   5.538   3.873
  204   2HB   GLU  26          2HB       GLU  26   5.129   5.966   3.824
  205   1HG   GLU  26          1HG       GLU  26   4.599   4.100   5.354
  206   2HG   GLU  26          2HG       GLU  26   6.295   3.589   5.339
  207    H    GLU  27           H        GLU  27   3.470   5.224   2.012
  208    HA   GLU  27           HA       GLU  27   1.558   3.449   3.102
  209   1HB   GLU  27          1HB       GLU  27   1.240   5.097   0.554
  210   2HB   GLU  27          2HB       GLU  27  -0.023   4.286   1.496
  211   1HG   GLU  27          1HG       GLU  27  -0.182   6.488   2.237
  212   2HG   GLU  27          2HG       GLU  27   0.728   5.684   3.517
  213    H    LEU  28           H        LEU  28   3.014   3.411  -0.275
  214    HA   LEU  28           HA       LEU  28   1.833   0.923  -0.941
  215   1HB   LEU  28          1HB       LEU  28   4.334   2.383  -1.826
  216   2HB   LEU  28          2HB       LEU  28   4.066   0.723  -2.391
  217    HG   LEU  28           HG       LEU  28   1.860   2.715  -2.436
  218   1HD1  LEU  28          1HD1      LEU  28   3.942   2.408  -4.617
  219   2HD1  LEU  28          2HD1      LEU  28   2.410   3.301  -4.768
  220   3HD1  LEU  28          3HD1      LEU  28   3.625   3.856  -3.603
  221   1HD2  LEU  28          3HD2      LEU  28   2.566   0.301  -4.215
  222   2HD2  LEU  28          1HD2      LEU  28   1.290   0.317  -2.988
  223   3HD2  LEU  28          2HD2      LEU  28   1.129   1.302  -4.447
  224    H    LYS  29           H        LYS  29   4.820   1.494   0.879
  225    HA   LYS  29           HA       LYS  29   5.592  -1.259   0.731
  226   1HB   LYS  29          1HB       LYS  29   6.974   0.784   1.478
  227   2HB   LYS  29          2HB       LYS  29   6.094   0.773   2.983
  228   1HG   LYS  29          1HG       LYS  29   6.953  -1.580   3.418
  229   2HG   LYS  29          2HG       LYS  29   7.909  -1.449   1.929
  230   1HD   LYS  29          1HD       LYS  29   9.059   0.570   2.901
  231   2HD   LYS  29          2HD       LYS  29   8.115   0.362   4.386
  232   1HE   LYS  29          1HE       LYS  29   9.117  -1.893   4.711
  233   2HE   LYS  29          2HE       LYS  29  10.061  -1.689   3.221
  234   1HZ   LYS  29          1HZ       LYS  29  10.262  -0.008   5.621
  235   2HZ   LYS  29          2HZ       LYS  29  11.335  -1.170   5.156
  236   3HZ   LYS  29          3HZ       LYS  29  11.138   0.183   4.237
  237    H    LEU  30           H        LEU  30   3.823   0.550   3.195
  238    HA   LEU  30           HA       LEU  30   3.304  -1.732   4.859
  239   1HB   LEU  30          1HB       LEU  30   1.748   0.875   4.541
  240   2HB   LEU  30          2HB       LEU  30   1.468  -0.287   5.844
  241    HG   LEU  30           HG       LEU  30   4.153   1.102   5.379
  242   1HD1  LEU  30          3HD1      LEU  30   2.393   2.744   5.907
  243   2HD1  LEU  30          1HD1      LEU  30   1.937   1.795   7.344
  244   3HD1  LEU  30          2HD1      LEU  30   3.535   2.562   7.250
  245   1HD2  LEU  30          3HD2      LEU  30   3.048  -0.500   7.731
  246   2HD2  LEU  30          1HD2      LEU  30   4.384  -0.984   6.662
  247   3HD2  LEU  30          2HD2      LEU  30   4.573   0.406   7.734
  248    H    LEU  31           H        LEU  31   1.340  -0.255   2.311
  249    HA   LEU  31           HA       LEU  31  -0.866  -1.995   2.323
  250   1HB   LEU  31          1HB       LEU  31  -0.608   0.042   0.960
  251   2HB   LEU  31          2HB       LEU  31   0.557  -0.764  -0.078
  252    HG   LEU  31           HG       LEU  31  -2.310  -1.692   0.272
  253   1HD1  LEU  31          1HD1      LEU  31  -1.085   0.131  -1.850
  254   2HD1  LEU  31          2HD1      LEU  31  -2.738  -0.508  -1.894
  255   3HD1  LEU  31          3HD1      LEU  31  -2.262   0.616  -0.617
  256   1HD2  LEU  31          3HD2      LEU  31  -0.179  -2.335  -1.819
  257   2HD2  LEU  31          1HD2      LEU  31  -1.012  -3.481  -0.744
  258   3HD2  LEU  31          2HD2      LEU  31  -1.903  -2.693  -2.032
  259    H    LEU  32           H        LEU  32   2.165  -2.298   0.503
  260    HA   LEU  32           HA       LEU  32   1.610  -4.833  -0.655
  261   1HB   LEU  32          1HB       LEU  32   4.223  -3.428   0.031
  262   2HB   LEU  32          2HB       LEU  32   4.171  -4.955  -0.851
  263    HG   LEU  32           HG       LEU  32   2.638  -2.547  -1.882
  264   1HD1  LEU  32          3HD1      LEU  32   5.021  -1.864  -1.585
  265   2HD1  LEU  32          1HD1      LEU  32   5.534  -3.304  -2.481
  266   3HD1  LEU  32          2HD1      LEU  32   4.591  -2.030  -3.292
  267   1HD2  LEU  32          3HD2      LEU  32   3.854  -4.994  -3.220
  268   2HD2  LEU  32          1HD2      LEU  32   2.125  -4.766  -2.863
  269   3HD2  LEU  32          2HD2      LEU  32   2.938  -3.700  -4.022
  270    H    GLN  33           H        GLN  33   3.631  -4.071   2.250
  271    HA   GLN  33           HA       GLN  33   4.256  -6.702   2.897
  272   1HB   GLN  33          1HB       GLN  33   5.217  -4.584   3.914
  273   2HB   GLN  33          2HB       GLN  33   3.736  -4.427   4.866
  274   1HG   GLN  33          1HG       GLN  33   5.385  -5.456   6.272
  275   2HG   GLN  33          2HG       GLN  33   4.236  -6.727   5.859
  276   1HE2  GLN  33          1HE2      GLN  33   8.095  -6.830   4.384
  277   2HE2  GLN  33          2HE2      GLN  33   7.437  -5.331   5.017
  278    H    THR  34           H        THR  34   1.471  -4.789   3.993
  279    HA   THR  34           HA       THR  34   0.551  -6.894   5.740
  280    HB   THR  34           HB       THR  34  -1.009  -4.473   4.791
  281    HG1  THR  34           HG1      THR  34   0.872  -3.696   5.563
  282   1HG2  THR  34          1HG2      THR  34  -1.075  -6.134   7.358
  283   2HG2  THR  34          2HG2      THR  34  -2.010  -4.656   7.076
  284   3HG2  THR  34          3HG2      THR  34  -2.337  -6.104   6.105
  285    H    GLU  35           H        GLU  35  -0.607  -5.670   2.523
  286    HA   GLU  35           HA       GLU  35  -2.828  -7.575   2.585
  287   1HB   GLU  35          1HB       GLU  35  -2.035  -5.421   0.576
  288   2HB   GLU  35          2HB       GLU  35  -3.543  -6.320   0.617
  289   1HG   GLU  35          1HG       GLU  35  -2.485  -4.350   2.705
  290   2HG   GLU  35          2HG       GLU  35  -3.765  -4.066   1.534
  291    H    PHE  36           H        PHE  36   0.317  -7.230   1.047
  292    HA   PHE  36           HA       PHE  36  -0.057  -9.776  -0.417
  293   1HB   PHE  36          1HB       PHE  36   0.867  -7.187  -1.712
  294   2HB   PHE  36          2HB       PHE  36   0.802  -8.781  -2.448
  295    HD1  PHE  36           HD1      PHE  36  -1.415  -9.904  -2.901
  296    HD2  PHE  36           HD2      PHE  36  -1.029  -5.744  -1.814
  297    HE1  PHE  36           HE1      PHE  36  -3.479  -9.385  -4.155
  298    HE2  PHE  36           HE2      PHE  36  -3.050  -5.219  -3.178
  299    HZ   PHE  36           HZ       PHE  36  -4.175  -7.033  -4.449
  300    HA   PRO  37           HA       PRO  37   4.141  -9.056   1.606
  301   1HB   PRO  37          1HB       PRO  37   4.307 -11.516   2.855
  302   2HB   PRO  37          2HB       PRO  37   3.611 -10.047   3.588
  303   1HG   PRO  37          1HG       PRO  37   2.142 -12.311   2.230
  304   2HG   PRO  37          2HG       PRO  37   1.739 -11.507   3.776
  305   1HD   PRO  37          1HD       PRO  37   0.489 -10.873   1.455
  306   2HD   PRO  37          2HD       PRO  37   0.862  -9.597   2.635
  307    H    SER  38           H        SER  38   2.531 -11.485  -0.349
  308    HA   SER  38           HA       SER  38   4.655 -13.095  -1.325
  309   1HB   SER  38          1HB       SER  38   2.858 -13.177  -3.249
  310   2HB   SER  38          2HB       SER  38   2.418 -13.809  -1.650
  311    HG   SER  38           HG       SER  38   0.825 -12.349  -2.466
  312    H    LEU  39           H        LEU  39   2.955 -10.235  -2.572
  313    HA   LEU  39           HA       LEU  39   4.718  -9.756  -4.782
  314   1HB   LEU  39          1HB       LEU  39   2.816  -7.948  -3.286
  315   2HB   LEU  39          2HB       LEU  39   3.618  -7.483  -4.799
  316    HG   LEU  39           HG       LEU  39   1.694  -9.814  -4.452
  317   1HD1  LEU  39          3HD1      LEU  39   0.793  -7.365  -4.357
  318   2HD1  LEU  39          1HD1      LEU  39   1.256  -7.267  -6.060
  319   3HD1  LEU  39          2HD1      LEU  39   0.058  -8.464  -5.527
  320   1HD2  LEU  39          3HD2      LEU  39   3.073  -8.733  -6.946
  321   2HD2  LEU  39          1HD2      LEU  39   3.206 -10.372  -6.269
  322   3HD2  LEU  39          2HD2      LEU  39   1.681  -9.834  -6.972
  323    H    LEU  40           H        LEU  40   4.543  -8.407  -1.507
  324    HA   LEU  40           HA       LEU  40   6.500  -6.430  -1.762
  325   1HB   LEU  40          1HB       LEU  40   5.036  -6.806   0.221
  326   2HB   LEU  40          2HB       LEU  40   6.020  -8.185   0.684
  327    HG   LEU  40           HG       LEU  40   6.356  -6.002   1.915
  328   1HD1  LEU  40          3HD1      LEU  40   7.931  -7.893   2.093
  329   2HD1  LEU  40          1HD1      LEU  40   8.901  -7.208   0.771
  330   3HD1  LEU  40          2HD1      LEU  40   8.707  -6.309   2.272
  331   1HD2  LEU  40          1HD2      LEU  40   6.425  -4.494  -0.067
  332   2HD2  LEU  40          2HD2      LEU  40   7.804  -4.304   1.027
  333   3HD2  LEU  40          3HD2      LEU  40   8.010  -5.176  -0.499
  334    H    LYS  41           H        LYS  41   6.952  -9.844  -0.870
  335    HA   LYS  41           HA       LYS  41   9.854  -9.675  -0.846
  336   1HB   LYS  41          1HB       LYS  41   7.882 -11.995  -0.836
  337   2HB   LYS  41          2HB       LYS  41   9.632 -12.162  -0.645
  338   1HG   LYS  41          1HG       LYS  41   9.605 -10.818   1.394
  339   2HG   LYS  41          2HG       LYS  41   7.884 -10.451   1.184
  340   1HD   LYS  41          1HD       LYS  41   7.325 -12.853   1.378
  341   2HD   LYS  41          2HD       LYS  41   9.041 -13.231   1.648
  342   1HE   LYS  41          1HE       LYS  41   9.026 -11.781   3.680
  343   2HE   LYS  41          2HE       LYS  41   7.316 -11.401   3.395
  344   1HZ   LYS  41          3HZ       LYS  41   6.817 -13.717   3.668
  345   2HZ   LYS  41          1HZ       LYS  41   8.405 -14.073   3.935
  346   3HZ   LYS  41          2HZ       LYS  41   7.581 -13.126   5.003
  347    H    GLY  42           H        GLY  42   7.564 -11.391  -2.953
  348   1HA   GLY  42          1HA       GLY  42   9.598 -11.920  -5.004
  349   2HA   GLY  42          2HA       GLY  42   7.903 -12.428  -4.990
  350    H    GLY  43           H        GLY  43   9.826  -9.366  -5.121
  351   1HA   GLY  43          1HA       GLY  43   8.602  -8.620  -7.660
  352   2HA   GLY  43          2HA       GLY  43   8.047  -7.639  -6.283
  353    H    SER  44           H        SER  44   9.344  -6.227  -8.186
  354    HA   SER  44           HA       SER  44  12.109  -5.946  -8.003
  355   1HB   SER  44          1HB       SER  44  10.316  -3.539  -8.215
  356   2HB   SER  44          2HB       SER  44  11.681  -4.030  -9.240
  357    HG   SER  44           HG       SER  44   9.652  -4.229 -10.286
  358    H    THR  45           H        THR  45  13.269  -4.023  -6.856
  359    HA   THR  45           HA       THR  45  12.641  -4.062  -4.031
  360    HB   THR  45           HB       THR  45  14.370  -2.354  -3.821
  361    HG1  THR  45           HG1      THR  45  15.416  -1.673  -5.790
  362   1HG2  THR  45          3HG2      THR  45  15.049  -4.745  -4.120
  363   2HG2  THR  45          1HG2      THR  45  15.232  -4.458  -5.864
  364   3HG2  THR  45          2HG2      THR  45  16.268  -3.601  -4.711
  365    H    LEU  46           H        LEU  46  11.908  -2.164  -2.779
  366    HA   LEU  46           HA       LEU  46   9.437  -1.384  -3.628
  367   1HB   LEU  46          1HB       LEU  46  10.179  -1.264  -1.279
  368   2HB   LEU  46          2HB       LEU  46  11.319   0.027  -1.683
  369    HG   LEU  46           HG       LEU  46   9.429   1.550  -2.219
  370   1HD1  LEU  46          1HD1      LEU  46   7.687  -0.761  -1.226
  371   2HD1  LEU  46          2HD1      LEU  46   7.127   0.900  -1.500
  372   3HD1  LEU  46          3HD1      LEU  46   7.678  -0.075  -2.866
  373   1HD2  LEU  46          3HD2      LEU  46   9.314   0.240   0.519
  374   2HD2  LEU  46          1HD2      LEU  46  10.429   1.528   0.017
  375   3HD2  LEU  46          2HD2      LEU  46   8.689   1.853   0.116
  376    H    ASP  47           H        ASP  47  12.369   0.596  -3.899
  377    HA   ASP  47           HA       ASP  47  11.149   2.850  -5.062
  378   1HB   ASP  47          1HB       ASP  47  13.974   1.744  -5.445
  379   2HB   ASP  47          2HB       ASP  47  13.448   3.387  -5.823
  380    H    GLU  48           H        GLU  48  12.486  -0.056  -6.595
  381    HA   GLU  48           HA       GLU  48  12.140   0.823  -9.320
  382   1HB   GLU  48          1HB       GLU  48  12.208  -1.947  -8.077
  383   2HB   GLU  48          2HB       GLU  48  12.214  -1.645  -9.822
  384   1HG   GLU  48          1HG       GLU  48  14.355  -0.548  -9.715
  385   2HG   GLU  48          2HG       GLU  48  14.355  -0.550  -7.951
  386    H    LEU  49           H        LEU  49  10.163  -1.139  -7.101
  387    HA   LEU  49           HA       LEU  49   8.055  -1.605  -8.944
  388   1HB   LEU  49          1HB       LEU  49   8.394  -2.918  -6.886
  389   2HB   LEU  49          2HB       LEU  49   8.006  -1.505  -5.901
  390    HG   LEU  49           HG       LEU  49   5.696  -1.507  -6.731
  391   1HD1  LEU  49          1HD1      LEU  49   6.564  -3.918  -8.397
  392   2HD1  LEU  49          2HD1      LEU  49   4.876  -3.446  -8.106
  393   3HD1  LEU  49          3HD1      LEU  49   5.940  -2.371  -9.015
  394   1HD2  LEU  49          1HD2      LEU  49   6.352  -2.896  -4.775
  395   2HD2  LEU  49          2HD2      LEU  49   4.971  -3.583  -5.655
  396   3HD2  LEU  49          3HD2      LEU  49   6.592  -4.286  -5.851
  397    H    PHE  50           H        PHE  50   8.559   0.908  -6.502
  398    HA   PHE  50           HA       PHE  50   6.158   2.354  -6.809
  399   1HB   PHE  50          1HB       PHE  50   7.862   2.663  -5.015
  400   2HB   PHE  50          2HB       PHE  50   8.972   3.363  -6.184
  401    HD1  PHE  50           HD1      PHE  50   5.742   3.798  -4.441
  402    HD2  PHE  50           HD2      PHE  50   8.762   5.725  -6.824
  403    HE1  PHE  50           HE1      PHE  50   4.848   6.002  -3.785
  404    HE2  PHE  50           HE2      PHE  50   8.013   7.929  -5.967
  405    HZ   PHE  50           HZ       PHE  50   6.175   8.041  -4.282
  406    H    GLU  51           H        GLU  51   9.315   2.747  -8.519
  407    HA   GLU  51           HA       GLU  51   8.460   4.837 -10.212
  408   1HB   GLU  51          1HB       GLU  51  10.824   4.091  -9.839
  409   2HB   GLU  51          2HB       GLU  51  10.503   2.651 -10.818
  410   1HG   GLU  51          1HG       GLU  51   9.990   4.105 -12.774
  411   2HG   GLU  51          2HG       GLU  51  10.286   5.540 -11.778
  412    H    GLU  52           H        GLU  52   8.414   1.322 -10.730
  413    HA   GLU  52           HA       GLU  52   7.286   1.313 -13.327
  414   1HB   GLU  52          1HB       GLU  52   7.016  -0.706 -11.066
  415   2HB   GLU  52          2HB       GLU  52   6.440  -0.986 -12.712
  416   1HG   GLU  52          1HG       GLU  52   8.672  -0.824 -13.625
  417   2HG   GLU  52          2HG       GLU  52   9.351  -0.329 -12.077
  418    H    LEU  53           H        LEU  53   5.653   1.378 -10.164
  419    HA   LEU  53           HA       LEU  53   2.993   1.276 -11.297
  420   1HB   LEU  53          1HB       LEU  53   4.048   2.107  -8.568
  421   2HB   LEU  53          2HB       LEU  53   2.350   1.961  -9.007
  422    HG   LEU  53           HG       LEU  53   4.326  -0.353  -9.023
  423   1HD1  LEU  53          3HD1      LEU  53   3.822   0.507  -6.756
  424   2HD1  LEU  53          1HD1      LEU  53   2.083   0.350  -7.089
  425   3HD1  LEU  53          2HD1      LEU  53   3.113  -1.095  -7.019
  426   1HD2  LEU  53          3HD2      LEU  53   1.325  -0.323  -9.485
  427   2HD2  LEU  53          1HD2      LEU  53   2.593  -0.779 -10.651
  428   3HD2  LEU  53          2HD2      LEU  53   2.331  -1.771  -9.227
  429    H    ASP  54           H        ASP  54   5.068   3.909 -10.171
  430    HA   ASP  54           HA       ASP  54   3.122   6.007 -10.637
  431   1HB   ASP  54          1HB       ASP  54   4.879   6.392  -9.019
  432   2HB   ASP  54          2HB       ASP  54   6.101   6.031 -10.224
  433    H    LYS  55           H        LYS  55   2.547   5.049 -12.796
  434    HA   LYS  55           HA       LYS  55   4.212   5.538 -15.083
  435   1HB   LYS  55          1HB       LYS  55   1.198   5.360 -14.831
  436   2HB   LYS  55          2HB       LYS  55   2.067   5.377 -16.360
  437   1HG   LYS  55          1HG       LYS  55   2.262   3.272 -14.161
  438   2HG   LYS  55          2HG       LYS  55   1.492   3.110 -15.734
  439   1HD   LYS  55          1HD       LYS  55   4.495   3.336 -15.205
  440   2HD   LYS  55          2HD       LYS  55   3.580   1.911 -15.635
  441   1HE   LYS  55          1HE       LYS  55   4.534   2.497 -17.663
  442   2HE   LYS  55          2HE       LYS  55   2.895   3.147 -17.814
  443   1HZ   LYS  55          1HZ       LYS  55   5.320   4.652 -17.079
  444   2HZ   LYS  55          2HZ       LYS  55   4.584   4.672 -18.553
  445   3HZ   LYS  55          3HZ       LYS  55   3.820   5.305 -17.243
  446    H    ASN  56           H        ASN  56   2.060   7.600 -13.205
  447    HA   ASN  56           HA       ASN  56   1.766   9.626 -15.181
  448   1HB   ASN  56          1HB       ASN  56   0.596  10.853 -13.689
  449   2HB   ASN  56          2HB       ASN  56   0.381   9.252 -12.991
  450   1HD2  ASN  56          1HD2      ASN  56   2.046  10.224  -9.949
  451   2HD2  ASN  56          2HD2      ASN  56   1.097   9.004 -10.765
  452    H    GLY  57           H        GLY  57   4.207   9.202 -12.615
  453   1HA   GLY  57          1HA       GLY  57   6.460   9.688 -13.155
  454   2HA   GLY  57          2HA       GLY  57   5.982  11.099 -14.095
  455    H    ASP  58           H        ASP  58   4.049  11.533 -11.457
  456    HA   ASP  58           HA       ASP  58   5.786  13.583 -10.508
  457   1HB   ASP  58          1HB       ASP  58   3.963  14.351  -9.289
  458   2HB   ASP  58          2HB       ASP  58   3.279  13.723 -10.779
  459    H    GLY  59           H        GLY  59   6.304  10.491  -9.756
  460   1HA   GLY  59          1HA       GLY  59   7.520   9.538  -8.085
  461   2HA   GLY  59          2HA       GLY  59   7.721  11.136  -7.354
  462    H    GLU  60           H        GLU  60   4.545   9.651  -8.013
  463    HA   GLU  60           HA       GLU  60   4.228   8.308  -5.492
  464   1HB   GLU  60          1HB       GLU  60   2.525  10.754  -6.100
  465   2HB   GLU  60          2HB       GLU  60   2.243   9.552  -4.813
  466   1HG   GLU  60          1HG       GLU  60   4.443  10.260  -3.795
  467   2HG   GLU  60          2HG       GLU  60   4.438  11.632  -4.929
  468    H    VAL  61           H        VAL  61   1.885   7.396  -5.481
  469    HA   VAL  61           HA       VAL  61   1.235   6.636  -8.313
  470    HB   VAL  61           HB       VAL  61   1.173   4.818  -5.903
  471   1HG1  VAL  61          3HG1      VAL  61  -0.083   4.215  -8.037
  472   2HG1  VAL  61          1HG1      VAL  61   1.505   4.231  -8.865
  473   3HG1  VAL  61          2HG1      VAL  61   1.171   3.073  -7.547
  474   1HG2  VAL  61          3HG2      VAL  61   3.454   5.272  -7.863
  475   2HG2  VAL  61          1HG2      VAL  61   3.527   5.494  -6.101
  476   3HG2  VAL  61          2HG2      VAL  61   3.350   3.877  -6.795
  477    H    SER  62           H        SER  62  -0.779   7.420  -8.786
  478    HA   SER  62           HA       SER  62  -2.884   7.455  -6.746
  479   1HB   SER  62          1HB       SER  62  -2.641   9.298  -8.402
  480   2HB   SER  62          2HB       SER  62  -3.180   8.166  -9.660
  481    HG   SER  62           HG       SER  62  -4.577   8.938  -7.283
  482    H    PHE  63           H        PHE  63  -5.118   6.716  -7.774
  483    HA   PHE  63           HA       PHE  63  -4.966   3.922  -7.302
  484   1HB   PHE  63          1HB       PHE  63  -6.884   5.247  -6.582
  485   2HB   PHE  63          2HB       PHE  63  -7.340   5.554  -8.259
  486    HD1  PHE  63           HD1      PHE  63  -6.419   2.550  -6.151
  487    HD2  PHE  63           HD2      PHE  63  -9.149   4.218  -9.046
  488    HE1  PHE  63           HE1      PHE  63  -7.639   0.410  -6.231
  489    HE2  PHE  63           HE2      PHE  63 -10.381   2.070  -9.097
  490    HZ   PHE  63           HZ       PHE  63  -9.635   0.163  -7.658
  491    H    GLU  64           H        GLU  64  -5.766   5.659 -10.332
  492    HA   GLU  64           HA       GLU  64  -6.410   3.332 -11.814
  493   1HB   GLU  64          1HB       GLU  64  -5.302   6.038 -12.719
  494   2HB   GLU  64          2HB       GLU  64  -5.837   4.764 -13.818
  495   1HG   GLU  64          1HG       GLU  64  -7.623   6.383 -13.531
  496   2HG   GLU  64          2HG       GLU  64  -8.103   4.815 -12.876
  497    H    GLU  65           H        GLU  65  -3.304   5.135 -11.722
  498    HA   GLU  65           HA       GLU  65  -1.890   3.172 -13.225
  499   1HB   GLU  65          1HB       GLU  65   0.119   4.345 -12.562
  500   2HB   GLU  65          2HB       GLU  65  -1.142   5.446 -13.121
  501   1HG   GLU  65          1HG       GLU  65  -1.732   5.909 -10.696
  502   2HG   GLU  65          2HG       GLU  65  -0.334   4.926 -10.231
  503    H    PHE  66           H        PHE  66  -2.387   3.456  -9.650
  504    HA   PHE  66           HA       PHE  66  -0.768   1.329  -8.806
  505   1HB   PHE  66          1HB       PHE  66  -1.858   2.571  -7.163
  506   2HB   PHE  66          2HB       PHE  66  -3.387   2.483  -7.982
  507    HD1  PHE  66           HD1      PHE  66  -1.092   0.383  -5.926
  508    HD2  PHE  66           HD2      PHE  66  -5.033   0.885  -7.596
  509    HE1  PHE  66           HE1      PHE  66  -1.932  -1.492  -4.528
  510    HE2  PHE  66           HE2      PHE  66  -5.810  -1.136  -6.379
  511    HZ   PHE  66           HZ       PHE  66  -4.283  -2.267  -4.764
  512    H    GLN  67           H        GLN  67  -3.797   1.111 -10.708
  513    HA   GLN  67           HA       GLN  67  -4.182  -1.681 -10.350
  514   1HB   GLN  67          1HB       GLN  67  -4.752  -0.111 -12.873
  515   2HB   GLN  67          2HB       GLN  67  -5.384  -1.699 -12.468
  516   1HG   GLN  67          1HG       GLN  67  -5.983   0.796 -10.815
  517   2HG   GLN  67          2HG       GLN  67  -6.998   0.159 -12.100
  518   1HE2  GLN  67          1HE2      GLN  67  -6.917  -1.813  -8.497
  519   2HE2  GLN  67          2HE2      GLN  67  -5.647  -0.653  -8.858
  520    H    VAL  68           H        VAL  68  -1.542  -0.116 -12.044
  521    HA   VAL  68           HA       VAL  68  -0.724  -2.253 -13.719
  522    HB   VAL  68           HB       VAL  68   0.868  -0.211 -12.151
  523   1HG1  VAL  68          1HG1      VAL  68   1.818  -2.113 -14.339
  524   2HG1  VAL  68          2HG1      VAL  68   2.729  -0.708 -13.744
  525   3HG1  VAL  68          3HG1      VAL  68   2.398  -2.060 -12.661
  526   1HG2  VAL  68          1HG2      VAL  68  -0.681   0.651 -13.985
  527   2HG2  VAL  68          2HG2      VAL  68   1.033   0.933 -14.318
  528   3HG2  VAL  68          3HG2      VAL  68   0.174  -0.393 -15.127
  529    H    LEU  69           H        LEU  69  -0.658  -1.919 -10.174
  530    HA   LEU  69           HA       LEU  69   1.110  -4.148  -9.725
  531   1HB   LEU  69          1HB       LEU  69   0.464  -2.357  -8.020
  532   2HB   LEU  69          2HB       LEU  69  -1.137  -3.084  -7.960
  533    HG   LEU  69           HG       LEU  69  -0.065  -5.250  -7.188
  534   1HD1  LEU  69          1HD1      LEU  69   2.405  -3.463  -6.983
  535   2HD1  LEU  69          2HD1      LEU  69   2.238  -5.049  -6.211
  536   3HD1  LEU  69          3HD1      LEU  69   2.248  -4.932  -7.972
  537   1HD2  LEU  69          1HD2      LEU  69  -1.122  -3.677  -5.630
  538   2HD2  LEU  69          2HD2      LEU  69   0.288  -4.447  -4.889
  539   3HD2  LEU  69          3HD2      LEU  69   0.403  -2.774  -5.479
  540    H    VAL  70           H        VAL  70  -2.407  -3.754 -10.224
  541    HA   VAL  70           HA       VAL  70  -3.066  -6.496  -9.577
  542    HB   VAL  70           HB       VAL  70  -4.712  -4.511 -11.204
  543   1HG1  VAL  70          3HG1      VAL  70  -5.447  -6.912 -11.231
  544   2HG1  VAL  70          1HG1      VAL  70  -5.502  -6.896  -9.462
  545   3HG1  VAL  70          2HG1      VAL  70  -6.597  -5.856 -10.397
  546   1HG2  VAL  70          3HG2      VAL  70  -4.516  -4.974  -8.204
  547   2HG2  VAL  70          1HG2      VAL  70  -4.125  -3.463  -9.027
  548   3HG2  VAL  70          2HG2      VAL  70  -5.800  -4.019  -8.995
  549    H    LYS  71           H        LYS  71  -2.224  -4.675 -12.535
  550    HA   LYS  71           HA       LYS  71  -2.441  -6.863 -14.359
  551   1HB   LYS  71          1HB       LYS  71  -2.101  -4.717 -15.267
  552   2HB   LYS  71          2HB       LYS  71  -0.634  -4.440 -14.324
  553   1HG   LYS  71          1HG       LYS  71   0.599  -6.106 -15.520
  554   2HG   LYS  71          2HG       LYS  71  -0.853  -6.620 -16.417
  555   1HD   LYS  71          1HD       LYS  71  -1.001  -4.356 -17.447
  556   2HD   LYS  71          2HD       LYS  71   0.445  -3.852 -16.546
  557   1HE   LYS  71          1HE       LYS  71   1.775  -5.617 -17.698
  558   2HE   LYS  71          2HE       LYS  71   0.329  -6.125 -18.590
  559   1HZ   LYS  71          3HZ       LYS  71   0.250  -3.955 -19.577
  560   2HZ   LYS  71          1HZ       LYS  71   1.596  -3.482 -18.751
  561   3HZ   LYS  71          2HZ       LYS  71   1.698  -4.678 -19.878
  562    H    LYS  72           H        LYS  72   0.389  -5.833 -12.453
  563    HA   LYS  72           HA       LYS  72   2.029  -8.046 -12.986
  564   1HB   LYS  72          1HB       LYS  72   1.851  -6.202 -10.612
  565   2HB   LYS  72          2HB       LYS  72   2.724  -7.716 -10.424
  566   1HG   LYS  72          1HG       LYS  72   4.330  -6.151 -10.990
  567   2HG   LYS  72          2HG       LYS  72   4.115  -7.155 -12.429
  568   1HD   LYS  72          1HD       LYS  72   2.635  -5.361 -13.403
  569   2HD   LYS  72          2HD       LYS  72   2.925  -4.378 -11.957
  570   1HE   LYS  72          1HE       LYS  72   5.090  -5.327 -13.892
  571   2HE   LYS  72          2HE       LYS  72   4.364  -3.713 -13.881
  572   1HZ   LYS  72          3HZ       LYS  72   5.194  -3.407 -11.666
  573   2HZ   LYS  72          1HZ       LYS  72   5.878  -4.906 -11.669
  574   3HZ   LYS  72          2HZ       LYS  72   6.429  -3.755 -12.702
  575    H    ILE  73           H        ILE  73  -0.512  -7.906 -10.495
  576    HA   ILE  73           HA       ILE  73  -0.144 -10.594  -9.570
  577    HB   ILE  73           HB       ILE  73  -2.710  -8.958  -9.657
  578   1HG1  ILE  73          1HG1      ILE  73  -0.796  -9.526  -7.359
  579   2HG1  ILE  73          2HG1      ILE  73  -0.785  -8.030  -8.289
  580   1HG2  ILE  73          3HG2      ILE  73  -3.211 -11.391  -9.446
  581   2HG2  ILE  73          1HG2      ILE  73  -2.075 -11.494  -8.084
  582   3HG2  ILE  73          2HG2      ILE  73  -3.562 -10.538  -7.955
  583   1HD1  ILE  73          3HD1      ILE  73  -3.212  -7.672  -7.626
  584   2HD1  ILE  73          1HD1      ILE  73  -3.001  -9.005  -6.476
  585   3HD1  ILE  73          2HD1      ILE  73  -2.011  -7.545  -6.332
  586    H    SER  74           H        SER  74  -2.407  -9.347 -11.995
  587    HA   SER  74           HA       SER  74  -2.045 -11.303 -13.959
  588   1HB   SER  74          1HB       SER  74  -2.984 -13.002 -12.573
  589   2HB   SER  74          2HB       SER  74  -4.245 -11.919 -11.969
  590    HG   SER  74           HG       SER  74  -4.989 -13.418 -13.572
  591    H    GLN  75           H        GLN  75  -4.992  -9.906 -12.527
  592    HA   GLN  75           HA       GLN  75  -5.957  -9.034 -15.092
  593   1HB   GLN  75          1HB       GLN  75  -6.949  -8.248 -12.309
  594   2HB   GLN  75          2HB       GLN  75  -7.764  -7.969 -13.846
  595   1HG   GLN  75          1HG       GLN  75  -8.824  -9.855 -12.996
  596   2HG   GLN  75          2HG       GLN  75  -7.721 -10.498 -14.222
  597   1HE2  GLN  75          1HE2      GLN  75  -7.338 -12.818 -11.425
  598   2HE2  GLN  75          2HE2      GLN  75  -8.405 -12.486 -12.778
   
  No H/Q in entry =         598
  Start of MODEL           5
 Raw file had  599 H/Q atoms
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -8.417 -10.727  -4.102
    2   2H    LYS   1          2H        LYS   1  -7.212  -9.607  -4.450
    3   3H    LYS   1          3H        LYS   1  -7.415 -10.162  -2.875
    4    HA   LYS   1           HA       LYS   1  -9.564  -9.157  -2.749
    5   1HB   LYS   1          1HB       LYS   1  -7.183  -7.446  -3.563
    6   2HB   LYS   1          2HB       LYS   1  -8.714  -6.730  -3.088
    7   1HG   LYS   1          1HG       LYS   1  -7.218  -6.698  -1.223
    8   2HG   LYS   1          2HG       LYS   1  -8.589  -7.758  -0.858
    9   1HD   LYS   1          1HD       LYS   1  -7.289  -9.713  -1.016
   10   2HD   LYS   1          2HD       LYS   1  -6.064  -8.936  -2.015
   11   1HE   LYS   1          1HE       LYS   1  -5.212  -9.368   0.270
   12   2HE   LYS   1          2HE       LYS   1  -5.189  -7.656  -0.151
   13   1HZ   LYS   1          3HZ       LYS   1  -7.223  -7.387   1.091
   14   2HZ   LYS   1          1HZ       LYS   1  -7.222  -8.985   1.501
   15   3HZ   LYS   1          2HZ       LYS   1  -6.019  -7.990   2.039
   16    H    SER   2           H        SER   2 -11.292  -8.197  -3.819
   17    HA   SER   2           HA       SER   2 -11.425  -8.255  -6.717
   18   1HB   SER   2          1HB       SER   2 -13.656  -7.189  -6.319
   19   2HB   SER   2          2HB       SER   2 -13.422  -8.614  -5.301
   20    HG   SER   2           HG       SER   2 -13.116  -7.337  -3.564
   21    HA   PRO   3           HA       PRO   3 -10.026  -4.052  -7.727
   22   1HB   PRO   3          1HB       PRO   3 -12.841  -3.707  -8.789
   23   2HB   PRO   3          2HB       PRO   3 -11.301  -3.138  -9.500
   24   1HG   PRO   3          1HG       PRO   3 -12.416  -5.415 -10.436
   25   2HG   PRO   3          2HG       PRO   3 -10.665  -5.397 -10.062
   26   1HD   PRO   3          1HD       PRO   3 -12.923  -6.490  -8.379
   27   2HD   PRO   3          2HD       PRO   3 -11.324  -7.211  -8.732
   28    H    GLU   4           H        GLU   4 -13.317  -4.399  -6.334
   29    HA   GLU   4           HA       GLU   4 -13.485  -1.801  -5.197
   30   1HB   GLU   4          1HB       GLU   4 -14.802  -4.427  -4.351
   31   2HB   GLU   4          2HB       GLU   4 -15.280  -2.815  -3.797
   32   1HG   GLU   4          1HG       GLU   4 -15.835  -2.148  -6.110
   33   2HG   GLU   4          2HG       GLU   4 -15.353  -3.741  -6.712
   34    H    GLU   5           H        GLU   5 -12.207  -4.864  -3.929
   35    HA   GLU   5           HA       GLU   5 -11.732  -3.790  -1.257
   36   1HB   GLU   5          1HB       GLU   5 -10.804  -6.244  -2.747
   37   2HB   GLU   5          2HB       GLU   5 -10.209  -5.852  -1.120
   38   1HG   GLU   5          1HG       GLU   5 -12.398  -6.023  -0.164
   39   2HG   GLU   5          2HG       GLU   5 -13.182  -6.067  -1.748
   40    H    LEU   6           H        LEU   6  -9.809  -4.264  -4.212
   41    HA   LEU   6           HA       LEU   6  -7.357  -3.243  -3.263
   42   1HB   LEU   6          1HB       LEU   6  -8.616  -3.255  -6.034
   43   2HB   LEU   6          2HB       LEU   6  -7.015  -2.662  -5.720
   44    HG   LEU   6           HG       LEU   6  -7.728  -5.370  -4.631
   45   1HD1  LEU   6          1HD1      LEU   6  -6.986  -4.902  -7.530
   46   2HD1  LEU   6          2HD1      LEU   6  -6.889  -6.464  -6.677
   47   3HD1  LEU   6          3HD1      LEU   6  -8.453  -5.668  -6.905
   48   1HD2  LEU   6          1HD2      LEU   6  -5.507  -4.274  -4.123
   49   2HD2  LEU   6          2HD2      LEU   6  -5.299  -5.756  -5.085
   50   3HD2  LEU   6          3HD2      LEU   6  -5.181  -4.174  -5.861
   51    H    LYS   7           H        LYS   7 -10.159  -1.466  -4.671
   52    HA   LYS   7           HA       LYS   7  -8.985   1.103  -4.362
   53   1HB   LYS   7          1HB       LYS   7 -11.059   0.607  -5.668
   54   2HB   LYS   7          2HB       LYS   7 -11.929   0.298  -4.181
   55   1HG   LYS   7          1HG       LYS   7 -12.464   2.491  -5.036
   56   2HG   LYS   7          2HG       LYS   7 -11.697   2.616  -3.454
   57   1HD   LYS   7          1HD       LYS   7  -9.551   3.264  -4.502
   58   2HD   LYS   7          2HD       LYS   7 -10.250   3.037  -6.112
   59   1HE   LYS   7          1HE       LYS   7 -11.216   5.080  -4.062
   60   2HE   LYS   7          2HE       LYS   7 -10.106   5.416  -5.400
   61   1HZ   LYS   7          3HZ       LYS   7 -11.818   4.736  -6.919
   62   2HZ   LYS   7          1HZ       LYS   7 -12.867   4.469  -5.675
   63   3HZ   LYS   7          2HZ       LYS   7 -12.318   5.992  -5.974
   64    H    GLY   8           H        GLY   8 -11.120  -0.704  -2.188
   65   1HA   GLY   8          1HA       GLY   8 -11.301   1.108  -0.041
   66   2HA   GLY   8          2HA       GLY   8 -11.306  -0.657   0.144
   67    H    ILE   9           H        ILE   9  -8.865  -1.395  -0.587
   68    HA   ILE   9           HA       ILE   9  -7.091  -0.963   1.587
   69    HB   ILE   9           HB       ILE   9  -6.802  -2.131  -1.178
   70   1HG1  ILE   9          1HG1      ILE   9  -8.332  -3.075   0.764
   71   2HG1  ILE   9          2HG1      ILE   9  -7.371  -4.148  -0.262
   72   1HG2  ILE   9          1HG2      ILE   9  -4.771  -2.099   1.061
   73   2HG2  ILE   9          2HG2      ILE   9  -4.738  -3.239  -0.301
   74   3HG2  ILE   9          3HG2      ILE   9  -4.583  -1.506  -0.598
   75   1HD1  ILE   9          1HD1      ILE   9  -6.475  -3.168   2.480
   76   2HD1  ILE   9          2HD1      ILE   9  -7.348  -4.686   2.183
   77   3HD1  ILE   9          3HD1      ILE   9  -5.752  -4.451   1.466
   78    H    PHE  10           H        PHE  10  -6.928   0.184  -1.844
   79    HA   PHE  10           HA       PHE  10  -4.653   1.762  -1.703
   80   1HB   PHE  10          1HB       PHE  10  -5.976   1.260  -3.770
   81   2HB   PHE  10          2HB       PHE  10  -7.247   2.297  -3.211
   82    HD1  PHE  10           HD1      PHE  10  -7.033   4.745  -3.094
   83    HD2  PHE  10           HD2      PHE  10  -3.871   2.238  -4.633
   84    HE1  PHE  10           HE1      PHE  10  -5.983   6.700  -4.137
   85    HE2  PHE  10           HE2      PHE  10  -2.740   4.264  -5.552
   86    HZ   PHE  10           HZ       PHE  10  -3.780   6.484  -5.256
   87    H    GLU  11           H        GLU  11  -8.023   2.698  -0.934
   88    HA   GLU  11           HA       GLU  11  -7.422   5.392  -0.177
   89   1HB   GLU  11          1HB       GLU  11  -9.757   3.560   0.506
   90   2HB   GLU  11          2HB       GLU  11  -9.679   5.274   0.945
   91   1HG   GLU  11          1HG       GLU  11  -9.514   5.939  -1.400
   92   2HG   GLU  11          2HG       GLU  11  -9.471   4.253  -1.927
   93    H    LYS  12           H        LYS  12  -7.944   2.430   1.802
   94    HA   LYS  12           HA       LYS  12  -7.603   3.395   4.375
   95   1HB   LYS  12          1HB       LYS  12  -8.195   1.137   4.103
   96   2HB   LYS  12          2HB       LYS  12  -6.840   0.793   3.031
   97   1HG   LYS  12          1HG       LYS  12  -5.230   0.879   4.798
   98   2HG   LYS  12          2HG       LYS  12  -6.482   1.373   5.976
   99   1HD   LYS  12          1HD       LYS  12  -7.663  -0.803   5.526
  100   2HD   LYS  12          2HD       LYS  12  -6.378  -1.238   4.384
  101   1HE   LYS  12          1HE       LYS  12  -4.713  -1.004   6.301
  102   2HE   LYS  12          2HE       LYS  12  -6.089  -0.775   7.389
  103   1HZ   LYS  12          3HZ       LYS  12  -6.880  -2.941   6.707
  104   2HZ   LYS  12          1HZ       LYS  12  -5.562  -3.155   5.737
  105   3HZ   LYS  12          2HZ       LYS  12  -5.373  -3.028   7.366
  106    H    TYR  13           H        TYR  13  -4.979   2.365   2.145
  107    HA   TYR  13           HA       TYR  13  -2.936   3.128   4.106
  108   1HB   TYR  13          1HB       TYR  13  -2.848   2.085   1.298
  109   2HB   TYR  13          2HB       TYR  13  -1.401   2.569   2.182
  110    HD1  TYR  13           HD1      TYR  13  -0.877   1.560   4.391
  111    HD2  TYR  13           HD2      TYR  13  -4.083   0.033   2.038
  112    HE1  TYR  13           HE1      TYR  13  -0.887  -0.544   5.752
  113    HE2  TYR  13           HE2      TYR  13  -4.167  -1.995   3.349
  114    HH   TYR  13           HH       TYR  13  -3.227  -3.173   5.163
  115    H    ALA  14           H        ALA  14  -4.102   4.509   1.028
  116    HA   ALA  14           HA       ALA  14  -2.276   6.684   0.869
  117   1HB   ALA  14          3HB       ALA  14  -3.730   5.985  -1.002
  118   2HB   ALA  14          1HB       ALA  14  -5.155   6.513  -0.087
  119   3HB   ALA  14          2HB       ALA  14  -3.945   7.700  -0.629
  120    H    ALA  15           H        ALA  15  -5.382   6.455   2.538
  121    HA   ALA  15           HA       ALA  15  -5.818   9.051   3.361
  122   1HB   ALA  15          1HB       ALA  15  -6.171   6.511   5.005
  123   2HB   ALA  15          2HB       ALA  15  -6.929   8.078   5.348
  124   3HB   ALA  15          3HB       ALA  15  -7.349   7.203   3.864
  125    H    LYS  16           H        LYS  16  -3.325   6.821   4.650
  126    HA   LYS  16           HA       LYS  16  -2.774   8.278   7.037
  127   1HB   LYS  16          1HB       LYS  16  -0.899   6.588   5.349
  128   2HB   LYS  16          2HB       LYS  16  -0.647   7.071   7.037
  129   1HG   LYS  16          1HG       LYS  16  -2.814   5.881   7.623
  130   2HG   LYS  16          2HG       LYS  16  -2.848   5.227   5.983
  131   1HD   LYS  16          1HD       LYS  16  -0.702   4.762   8.100
  132   2HD   LYS  16          2HD       LYS  16  -1.894   3.597   7.493
  133   1HE   LYS  16          1HE       LYS  16  -0.845   3.881   5.179
  134   2HE   LYS  16          2HE       LYS  16   0.445   4.820   5.952
  135   1HZ   LYS  16          3HZ       LYS  16   0.936   2.935   7.313
  136   2HZ   LYS  16          1HZ       LYS  16  -0.250   2.047   6.592
  137   3HZ   LYS  16          2HZ       LYS  16   1.051   2.549   5.716
  138    H    GLU  17           H        GLU  17  -1.837   8.825   3.679
  139    HA   GLU  17           HA       GLU  17   0.277  10.734   4.244
  140   1HB   GLU  17          1HB       GLU  17  -0.085   9.302   2.135
  141   2HB   GLU  17          2HB       GLU  17  -1.408  10.391   1.726
  142   1HG   GLU  17          1HG       GLU  17   0.655  10.977   0.522
  143   2HG   GLU  17          2HG       GLU  17   0.160  12.292   1.587
  144    H    GLY  18           H        GLY  18  -3.190  10.780   4.218
  145   1HA   GLY  18          1HA       GLY  18  -4.436  12.685   4.986
  146   2HA   GLY  18          2HA       GLY  18  -3.328  13.775   4.138
  147    H    ASP  19           H        ASP  19  -2.995  12.625   1.692
  148    HA   ASP  19           HA       ASP  19  -5.559  13.164   0.434
  149   1HB   ASP  19          1HB       ASP  19  -3.553  14.075  -0.553
  150   2HB   ASP  19          2HB       ASP  19  -2.857  12.455  -0.737
  151    HA   PRO  20           HA       PRO  20  -6.330   8.617   0.498
  152   1HB   PRO  20          1HB       PRO  20  -8.802   8.677  -0.713
  153   2HB   PRO  20          2HB       PRO  20  -8.543   8.961   1.044
  154   1HG   PRO  20          1HG       PRO  20  -8.898  10.963  -1.197
  155   2HG   PRO  20          2HG       PRO  20  -9.653  10.989   0.423
  156   1HD   PRO  20          1HD       PRO  20  -7.497  12.490  -0.165
  157   2HD   PRO  20          2HD       PRO  20  -7.644  11.709   1.437
  158    H    ASN  21           H        ASN  21  -6.366  10.831  -2.229
  159    HA   ASN  21           HA       ASN  21  -6.976   8.874  -4.242
  160   1HB   ASN  21          1HB       ASN  21  -5.849  11.679  -4.498
  161   2HB   ASN  21          2HB       ASN  21  -6.581  10.719  -5.776
  162   1HD2  ASN  21          1HD2      ASN  21  -9.007  12.758  -3.233
  163   2HD2  ASN  21          2HD2      ASN  21  -7.258  12.756  -3.010
  164    H    GLN  22           H        GLN  22  -4.019   9.342  -2.587
  165    HA   GLN  22           HA       GLN  22  -2.445   8.257  -4.847
  166   1HB   GLN  22          1HB       GLN  22  -2.635  10.662  -5.230
  167   2HB   GLN  22          2HB       GLN  22  -2.035  10.990  -3.601
  168   1HG   GLN  22          1HG       GLN  22   0.139  10.159  -4.177
  169   2HG   GLN  22          2HG       GLN  22  -0.457   9.409  -5.677
  170   1HE2  GLN  22          1HE2      GLN  22   0.563  12.280  -7.465
  171   2HE2  GLN  22          2HE2      GLN  22   0.630  10.540  -7.331
  172    H    LEU  23           H        LEU  23  -0.879   6.865  -4.178
  173    HA   LEU  23           HA       LEU  23  -0.225   6.718  -1.299
  174   1HB   LEU  23          1HB       LEU  23   0.294   4.812  -3.592
  175   2HB   LEU  23          2HB       LEU  23   0.731   4.605  -1.918
  176    HG   LEU  23           HG       LEU  23  -2.180   4.967  -2.639
  177   1HD1  LEU  23          1HD1      LEU  23  -0.550   2.399  -2.591
  178   2HD1  LEU  23          2HD1      LEU  23  -2.315   2.490  -2.732
  179   3HD1  LEU  23          3HD1      LEU  23  -1.280   3.124  -4.036
  180   1HD2  LEU  23          1HD2      LEU  23  -1.359   5.030  -0.221
  181   2HD2  LEU  23          2HD2      LEU  23  -2.492   3.705  -0.566
  182   3HD2  LEU  23          3HD2      LEU  23  -0.754   3.383  -0.432
  183    H    SER  24           H        SER  24   1.688   7.598  -0.656
  184    HA   SER  24           HA       SER  24   3.978   7.743  -2.487
  185   1HB   SER  24          1HB       SER  24   4.580   8.410   0.276
  186   2HB   SER  24          2HB       SER  24   4.792   9.360  -1.197
  187    HG   SER  24           HG       SER  24   2.525   9.142   0.494
  188    H    LYS  25           H        LYS  25   6.110   6.912  -1.454
  189    HA   LYS  25           HA       LYS  25   6.028   4.230  -1.859
  190   1HB   LYS  25          1HB       LYS  25   8.091   5.856  -0.283
  191   2HB   LYS  25          2HB       LYS  25   8.343   4.175  -0.773
  192   1HG   LYS  25          1HG       LYS  25   8.108   4.773  -3.134
  193   2HG   LYS  25          2HG       LYS  25   7.864   6.479  -2.703
  194   1HD   LYS  25          1HD       LYS  25  10.118   6.529  -1.661
  195   2HD   LYS  25          2HD       LYS  25  10.357   4.822  -2.094
  196   1HE   LYS  25          1HE       LYS  25  10.114   5.386  -4.499
  197   2HE   LYS  25          2HE       LYS  25   9.845   7.088  -4.081
  198   1HZ   LYS  25          3HZ       LYS  25  12.042   7.131  -3.136
  199   2HZ   LYS  25          1HZ       LYS  25  12.296   5.555  -3.552
  200   3HZ   LYS  25          2HZ       LYS  25  12.088   6.693  -4.723
  201    H    GLU  26           H        GLU  26   6.167   5.709   1.424
  202    HA   GLU  26           HA       GLU  26   6.480   3.200   2.708
  203   1HB   GLU  26          1HB       GLU  26   6.944   5.534   3.667
  204   2HB   GLU  26          2HB       GLU  26   5.199   5.695   3.910
  205   1HG   GLU  26          1HG       GLU  26   6.236   4.974   5.948
  206   2HG   GLU  26          2HG       GLU  26   5.240   3.647   5.359
  207    H    GLU  27           H        GLU  27   3.573   5.103   2.092
  208    HA   GLU  27           HA       GLU  27   1.677   3.327   3.207
  209   1HB   GLU  27          1HB       GLU  27   1.251   4.934   0.653
  210   2HB   GLU  27          2HB       GLU  27   0.042   4.287   1.760
  211   1HG   GLU  27          1HG       GLU  27   0.097   6.425   2.559
  212   2HG   GLU  27          2HG       GLU  27   1.381   5.759   3.574
  213    H    LEU  28           H        LEU  28   2.996   3.369  -0.205
  214    HA   LEU  28           HA       LEU  28   1.791   0.899  -0.927
  215   1HB   LEU  28          1HB       LEU  28   4.327   2.278  -1.833
  216   2HB   LEU  28          2HB       LEU  28   3.883   0.696  -2.485
  217    HG   LEU  28           HG       LEU  28   1.811   2.822  -2.334
  218   1HD1  LEU  28          3HD1      LEU  28   3.747   3.933  -3.329
  219   2HD1  LEU  28          1HD1      LEU  28   3.853   2.628  -4.554
  220   3HD1  LEU  28          2HD1      LEU  28   2.440   3.717  -4.499
  221   1HD2  LEU  28          3HD2      LEU  28   2.381   0.604  -4.369
  222   2HD2  LEU  28          1HD2      LEU  28   1.149   0.533  -3.096
  223   3HD2  LEU  28          2HD2      LEU  28   0.986   1.696  -4.423
  224    H    LYS  29           H        LYS  29   4.826   1.416   0.835
  225    HA   LYS  29           HA       LYS  29   5.624  -1.322   0.615
  226   1HB   LYS  29          1HB       LYS  29   7.013   0.686   1.408
  227   2HB   LYS  29          2HB       LYS  29   6.124   0.662   2.906
  228   1HG   LYS  29          1HG       LYS  29   6.932  -1.711   3.301
  229   2HG   LYS  29          2HG       LYS  29   7.957  -1.538   1.862
  230   1HD   LYS  29          1HD       LYS  29   9.046   0.463   2.935
  231   2HD   LYS  29          2HD       LYS  29   8.042   0.229   4.369
  232   1HE   LYS  29          1HE       LYS  29  10.060  -1.793   3.277
  233   2HE   LYS  29          2HE       LYS  29  10.327  -0.700   4.643
  234   1HZ   LYS  29          3HZ       LYS  29   8.508  -1.760   5.776
  235   2HZ   LYS  29          1HZ       LYS  29   8.291  -2.811   4.525
  236   3HZ   LYS  29          2HZ       LYS  29   9.691  -2.842   5.395
  237    H    LEU  30           H        LEU  30   3.929   0.389   3.215
  238    HA   LEU  30           HA       LEU  30   3.448  -2.008   4.734
  239   1HB   LEU  30          1HB       LEU  30   2.311   0.791   4.806
  240   2HB   LEU  30          2HB       LEU  30   1.489  -0.499   5.691
  241    HG   LEU  30           HG       LEU  30   3.467  -1.060   6.959
  242   1HD1  LEU  30          1HD1      LEU  30   4.865   1.168   5.423
  243   2HD1  LEU  30          2HD1      LEU  30   5.500   0.389   6.885
  244   3HD1  LEU  30          3HD1      LEU  30   5.295  -0.558   5.412
  245   1HD2  LEU  30          1HD2      LEU  30   1.956   0.729   7.785
  246   2HD2  LEU  30          2HD2      LEU  30   3.627   0.951   8.329
  247   3HD2  LEU  30          3HD2      LEU  30   2.998   1.945   7.001
  248    H    LEU  31           H        LEU  31   1.445  -0.370   2.319
  249    HA   LEU  31           HA       LEU  31  -0.784  -2.083   2.328
  250   1HB   LEU  31          1HB       LEU  31  -0.528   0.011   1.050
  251   2HB   LEU  31          2HB       LEU  31   0.570  -0.781  -0.070
  252    HG   LEU  31           HG       LEU  31  -2.283  -1.716   0.370
  253   1HD1  LEU  31          1HD1      LEU  31  -1.191   0.293  -1.652
  254   2HD1  LEU  31          2HD1      LEU  31  -2.830  -0.379  -1.691
  255   3HD1  LEU  31          3HD1      LEU  31  -2.332   0.648  -0.342
  256   1HD2  LEU  31          3HD2      LEU  31  -0.299  -2.077  -1.939
  257   2HD2  LEU  31          1HD2      LEU  31  -0.901  -3.348  -0.859
  258   3HD2  LEU  31          2HD2      LEU  31  -2.002  -2.571  -1.988
  259    H    LEU  32           H        LEU  32   2.190  -2.360   0.395
  260    HA   LEU  32           HA       LEU  32   1.624  -4.861  -0.819
  261   1HB   LEU  32          1HB       LEU  32   4.239  -3.496  -0.069
  262   2HB   LEU  32          2HB       LEU  32   4.211  -5.035  -0.922
  263    HG   LEU  32           HG       LEU  32   2.687  -2.650  -2.028
  264   1HD1  LEU  32          3HD1      LEU  32   5.042  -1.918  -1.668
  265   2HD1  LEU  32          1HD1      LEU  32   5.614  -3.357  -2.530
  266   3HD1  LEU  32          2HD1      LEU  32   4.670  -2.112  -3.383
  267   1HD2  LEU  32          3HD2      LEU  32   3.994  -5.091  -3.294
  268   2HD2  LEU  32          1HD2      LEU  32   2.250  -4.894  -3.010
  269   3HD2  LEU  32          2HD2      LEU  32   3.089  -3.831  -4.153
  270    H    GLN  33           H        GLN  33   3.713  -4.242   2.035
  271    HA   GLN  33           HA       GLN  33   4.270  -6.922   2.563
  272   1HB   GLN  33          1HB       GLN  33   5.506  -4.972   3.431
  273   2HB   GLN  33          2HB       GLN  33   4.159  -4.580   4.515
  274   1HG   GLN  33          1HG       GLN  33   4.472  -6.660   5.749
  275   2HG   GLN  33          2HG       GLN  33   5.671  -7.233   4.580
  276   1HE2  GLN  33          1HE2      GLN  33   8.295  -5.107   5.821
  277   2HE2  GLN  33          2HE2      GLN  33   7.696  -5.840   4.341
  278    H    THR  34           H        THR  34   1.643  -4.911   3.851
  279    HA   THR  34           HA       THR  34   0.776  -6.981   5.690
  280    HB   THR  34           HB       THR  34  -0.699  -4.453   4.867
  281    HG1  THR  34           HG1      THR  34   1.254  -3.832   5.568
  282   1HG2  THR  34          1HG2      THR  34  -0.781  -6.145   7.406
  283   2HG2  THR  34          2HG2      THR  34  -1.636  -4.611   7.150
  284   3HG2  THR  34          3HG2      THR  34  -2.076  -6.036   6.192
  285    H    GLU  35           H        GLU  35  -0.525  -5.696   2.537
  286    HA   GLU  35           HA       GLU  35  -2.810  -7.523   2.790
  287   1HB   GLU  35          1HB       GLU  35  -2.220  -5.280   0.826
  288   2HB   GLU  35          2HB       GLU  35  -3.746  -6.111   1.057
  289   1HG   GLU  35          1HG       GLU  35  -2.312  -4.357   3.118
  290   2HG   GLU  35          2HG       GLU  35  -3.632  -3.861   2.085
  291    H    PHE  36           H        PHE  36   0.112  -7.127   0.848
  292    HA   PHE  36           HA       PHE  36  -0.622  -9.555  -0.717
  293   1HB   PHE  36          1HB       PHE  36   0.438  -6.990  -1.937
  294   2HB   PHE  36          2HB       PHE  36   0.099  -8.490  -2.779
  295    HD1  PHE  36           HD1      PHE  36  -2.279  -9.153  -3.275
  296    HD2  PHE  36           HD2      PHE  36  -1.276  -5.451  -1.337
  297    HE1  PHE  36           HE1      PHE  36  -4.571  -8.263  -3.757
  298    HE2  PHE  36           HE2      PHE  36  -3.603  -4.637  -1.677
  299    HZ   PHE  36           HZ       PHE  36  -5.288  -6.131  -2.723
  300    HA   PRO  37           HA       PRO  37   3.661  -9.037   1.207
  301   1HB   PRO  37          1HB       PRO  37   3.877 -11.628   2.232
  302   2HB   PRO  37          2HB       PRO  37   3.243 -10.213   3.109
  303   1HG   PRO  37          1HG       PRO  37   1.679 -12.337   1.642
  304   2HG   PRO  37          2HG       PRO  37   1.344 -11.635   3.253
  305   1HD   PRO  37          1HD       PRO  37   0.008 -10.810   1.060
  306   2HD   PRO  37          2HD       PRO  37   0.514  -9.609   2.271
  307    H    SER  38           H        SER  38   2.216 -11.475  -0.911
  308    HA   SER  38           HA       SER  38   4.462 -12.876  -1.810
  309   1HB   SER  38          1HB       SER  38   2.076 -12.074  -3.518
  310   2HB   SER  38          2HB       SER  38   2.983 -13.596  -3.527
  311    HG   SER  38           HG       SER  38   2.112 -13.989  -1.421
  312    H    LEU  39           H        LEU  39   3.020  -9.759  -2.776
  313    HA   LEU  39           HA       LEU  39   4.575  -9.395  -5.182
  314   1HB   LEU  39          1HB       LEU  39   2.939  -7.620  -3.372
  315   2HB   LEU  39          2HB       LEU  39   3.725  -6.995  -4.840
  316    HG   LEU  39           HG       LEU  39   1.584  -9.154  -4.729
  317   1HD1  LEU  39          3HD1      LEU  39   0.861  -6.764  -4.267
  318   2HD1  LEU  39          1HD1      LEU  39   1.543  -6.305  -5.832
  319   3HD1  LEU  39          2HD1      LEU  39   0.165  -7.421  -5.755
  320   1HD2  LEU  39          3HD2      LEU  39   3.036  -7.918  -7.110
  321   2HD2  LEU  39          1HD2      LEU  39   2.970  -9.639  -6.669
  322   3HD2  LEU  39          2HD2      LEU  39   1.515  -8.824  -7.238
  323    H    LEU  40           H        LEU  40   5.261  -8.928  -1.782
  324    HA   LEU  40           HA       LEU  40   7.311  -6.929  -2.215
  325   1HB   LEU  40          1HB       LEU  40   6.097  -7.436   0.001
  326   2HB   LEU  40          2HB       LEU  40   7.076  -8.906   0.085
  327    HG   LEU  40           HG       LEU  40   9.149  -7.501   0.105
  328   1HD1  LEU  40          1HD1      LEU  40   7.146  -5.195   0.282
  329   2HD1  LEU  40          2HD1      LEU  40   8.875  -5.068   0.668
  330   3HD1  LEU  40          3HD1      LEU  40   8.375  -5.435  -0.982
  331   1HD2  LEU  40          1HD2      LEU  40   8.101  -8.322   2.185
  332   2HD2  LEU  40          2HD2      LEU  40   8.852  -6.735   2.428
  333   3HD2  LEU  40          3HD2      LEU  40   7.086  -6.866   2.256
  334    H    LYS  41           H        LYS  41   7.159 -10.421  -2.633
  335    HA   LYS  41           HA       LYS  41  10.070 -10.492  -3.127
  336   1HB   LYS  41          1HB       LYS  41   8.052 -12.704  -3.532
  337   2HB   LYS  41          2HB       LYS  41   9.793 -12.771  -3.441
  338   1HG   LYS  41          1HG       LYS  41   9.509 -13.440  -1.298
  339   2HG   LYS  41          2HG       LYS  41   9.295 -11.718  -0.971
  340   1HD   LYS  41          1HD       LYS  41   6.772 -12.123  -1.422
  341   2HD   LYS  41          2HD       LYS  41   7.154 -13.846  -1.469
  342   1HE   LYS  41          1HE       LYS  41   6.365 -13.374   0.733
  343   2HE   LYS  41          2HE       LYS  41   8.121 -13.561   0.896
  344   1HZ   LYS  41          1HZ       LYS  41   6.637 -11.030   0.670
  345   2HZ   LYS  41          2HZ       LYS  41   7.274 -11.644   2.065
  346   3HZ   LYS  41          3HZ       LYS  41   8.273 -11.154   0.848
  347    H    GLY  42           H        GLY  42  10.665 -10.989  -5.266
  348   1HA   GLY  42          1HA       GLY  42  10.514 -11.124  -7.596
  349   2HA   GLY  42          2HA       GLY  42   8.754 -11.170  -7.462
  350    H    GLY  43           H        GLY  43   8.259  -8.694  -6.160
  351   1HA   GLY  43          1HA       GLY  43   8.403  -6.783  -8.273
  352   2HA   GLY  43          2HA       GLY  43   7.905  -6.499  -6.601
  353    H    SER  44           H        SER  44  10.847  -7.126  -8.491
  354    HA   SER  44           HA       SER  44  13.005  -6.458  -8.272
  355   1HB   SER  44          1HB       SER  44  13.064  -4.190  -9.198
  356   2HB   SER  44          2HB       SER  44  11.847  -5.203  -9.970
  357    HG   SER  44           HG       SER  44  10.778  -3.335  -9.544
  358    H    THR  45           H        THR  45  11.803  -3.469  -6.931
  359    HA   THR  45           HA       THR  45  12.763  -3.987  -4.244
  360    HB   THR  45           HB       THR  45  14.087  -1.910  -4.063
  361    HG1  THR  45           HG1      THR  45  14.016  -1.782  -6.875
  362   1HG2  THR  45          3HG2      THR  45  15.320  -4.013  -4.556
  363   2HG2  THR  45          1HG2      THR  45  15.245  -3.643  -6.291
  364   3HG2  THR  45          2HG2      THR  45  16.132  -2.569  -5.193
  365    H    LEU  46           H        LEU  46  11.892  -2.065  -2.854
  366    HA   LEU  46           HA       LEU  46   9.272  -1.394  -3.663
  367   1HB   LEU  46          1HB       LEU  46  10.017  -1.297  -1.299
  368   2HB   LEU  46          2HB       LEU  46  11.196  -0.042  -1.706
  369    HG   LEU  46           HG       LEU  46   9.341   1.532  -2.256
  370   1HD1  LEU  46          1HD1      LEU  46   7.560  -0.711  -1.183
  371   2HD1  LEU  46          2HD1      LEU  46   7.037   0.957  -1.490
  372   3HD1  LEU  46          3HD1      LEU  46   7.542  -0.066  -2.840
  373   1HD2  LEU  46          3HD2      LEU  46   9.271   0.274   0.508
  374   2HD2  LEU  46          1HD2      LEU  46  10.387   1.538  -0.050
  375   3HD2  LEU  46          2HD2      LEU  46   8.656   1.891   0.092
  376    H    ASP  47           H        ASP  47  12.264   0.499  -3.919
  377    HA   ASP  47           HA       ASP  47  11.103   2.797  -5.060
  378   1HB   ASP  47          1HB       ASP  47  13.910   1.638  -5.423
  379   2HB   ASP  47          2HB       ASP  47  13.417   3.292  -5.791
  380    H    GLU  48           H        GLU  48  12.699   0.048  -6.681
  381    HA   GLU  48           HA       GLU  48  12.102   0.992  -9.314
  382   1HB   GLU  48          1HB       GLU  48  12.587  -1.819  -8.292
  383   2HB   GLU  48          2HB       GLU  48  12.413  -1.423 -10.003
  384   1HG   GLU  48          1HG       GLU  48  14.546  -0.159  -8.211
  385   2HG   GLU  48          2HG       GLU  48  14.811  -1.564  -9.257
  386    H    LEU  49           H        LEU  49  10.209  -1.081  -7.110
  387    HA   LEU  49           HA       LEU  49   8.175  -1.655  -8.996
  388   1HB   LEU  49          1HB       LEU  49   8.482  -2.946  -6.956
  389   2HB   LEU  49          2HB       LEU  49   8.072  -1.538  -5.965
  390    HG   LEU  49           HG       LEU  49   5.769  -1.559  -6.802
  391   1HD1  LEU  49          1HD1      LEU  49   6.665  -3.948  -8.481
  392   2HD1  LEU  49          2HD1      LEU  49   4.973  -3.493  -8.194
  393   3HD1  LEU  49          3HD1      LEU  49   6.031  -2.400  -9.088
  394   1HD2  LEU  49          1HD2      LEU  49   6.429  -2.955  -4.854
  395   2HD2  LEU  49          2HD2      LEU  49   5.062  -3.653  -5.746
  396   3HD2  LEU  49          3HD2      LEU  49   6.692  -4.334  -5.936
  397    H    PHE  50           H        PHE  50   8.517   0.916  -6.575
  398    HA   PHE  50           HA       PHE  50   6.088   2.296  -6.965
  399   1HB   PHE  50          1HB       PHE  50   7.736   2.711  -5.168
  400   2HB   PHE  50          2HB       PHE  50   8.875   3.364  -6.325
  401    HD1  PHE  50           HD1      PHE  50   5.698   3.943  -4.585
  402    HD2  PHE  50           HD2      PHE  50   8.705   5.655  -7.137
  403    HE1  PHE  50           HE1      PHE  50   4.970   6.198  -3.905
  404    HE2  PHE  50           HE2      PHE  50   8.072   7.923  -6.355
  405    HZ   PHE  50           HZ       PHE  50   6.243   8.209  -4.711
  406    H    GLU  51           H        GLU  51   9.230   2.710  -8.651
  407    HA   GLU  51           HA       GLU  51   8.283   4.679 -10.490
  408   1HB   GLU  51          1HB       GLU  51  10.537   2.629 -10.688
  409   2HB   GLU  51          2HB       GLU  51  10.331   3.973 -11.818
  410   1HG   GLU  51          1HG       GLU  51  10.786   5.615 -10.147
  411   2HG   GLU  51          2HG       GLU  51  10.614   4.467  -8.820
  412    H    GLU  52           H        GLU  52   8.453   1.144 -10.746
  413    HA   GLU  52           HA       GLU  52   7.460   0.918 -13.407
  414   1HB   GLU  52          1HB       GLU  52   7.207  -0.960 -11.036
  415   2HB   GLU  52          2HB       GLU  52   6.669  -1.372 -12.662
  416   1HG   GLU  52          1HG       GLU  52   8.862  -1.337 -13.555
  417   2HG   GLU  52          2HG       GLU  52   9.537  -0.495 -12.165
  418    H    LEU  53           H        LEU  53   5.734   1.242 -10.309
  419    HA   LEU  53           HA       LEU  53   3.103   1.013 -11.454
  420   1HB   LEU  53          1HB       LEU  53   4.089   2.245  -8.863
  421   2HB   LEU  53          2HB       LEU  53   2.402   2.052  -9.315
  422    HG   LEU  53           HG       LEU  53   4.348  -0.264  -8.962
  423   1HD1  LEU  53          3HD1      LEU  53   3.889   0.935  -6.849
  424   2HD1  LEU  53          1HD1      LEU  53   2.142   0.763  -7.138
  425   3HD1  LEU  53          2HD1      LEU  53   3.150  -0.676  -6.865
  426   1HD2  LEU  53          3HD2      LEU  53   1.348  -0.233  -9.414
  427   2HD2  LEU  53          1HD2      LEU  53   2.604  -0.913 -10.481
  428   3HD2  LEU  53          2HD2      LEU  53   2.311  -1.648  -8.914
  429    H    ASP  54           H        ASP  54   4.823   3.925 -10.242
  430    HA   ASP  54           HA       ASP  54   3.030   5.571 -11.975
  431   1HB   ASP  54          1HB       ASP  54   3.321   6.256  -9.623
  432   2HB   ASP  54          2HB       ASP  54   5.056   6.445  -9.916
  433    H    LYS  55           H        LYS  55   4.084   4.409 -13.784
  434    HA   LYS  55           HA       LYS  55   6.820   5.191 -14.363
  435   1HB   LYS  55          1HB       LYS  55   5.728   3.013 -15.041
  436   2HB   LYS  55          2HB       LYS  55   4.802   3.921 -16.243
  437   1HG   LYS  55          1HG       LYS  55   6.744   2.838 -17.215
  438   2HG   LYS  55          2HG       LYS  55   6.922   4.593 -17.361
  439   1HD   LYS  55          1HD       LYS  55   8.553   4.638 -15.557
  440   2HD   LYS  55          2HD       LYS  55   8.187   2.959 -15.107
  441   1HE   LYS  55          1HE       LYS  55   9.107   2.190 -17.287
  442   2HE   LYS  55          2HE       LYS  55   9.430   3.875 -17.745
  443   1HZ   LYS  55          3HZ       LYS  55  10.921   4.027 -15.888
  444   2HZ   LYS  55          1HZ       LYS  55  10.619   2.464 -15.460
  445   3HZ   LYS  55          2HZ       LYS  55  11.370   2.797 -16.889
  446    H    ASN  56           H        ASN  56   3.651   6.443 -15.173
  447    HA   ASN  56           HA       ASN  56   4.901   8.639 -16.765
  448   1HB   ASN  56          1HB       ASN  56   3.241   8.330 -18.471
  449   2HB   ASN  56          2HB       ASN  56   4.056   6.782 -18.229
  450   1HD2  ASN  56          1HD2      ASN  56   0.250   6.395 -18.332
  451   2HD2  ASN  56          2HD2      ASN  56   1.354   7.279 -19.374
  452    H    GLY  57           H        GLY  57   3.825   8.624 -13.907
  453   1HA   GLY  57          1HA       GLY  57   1.575  10.579 -14.333
  454   2HA   GLY  57          2HA       GLY  57   1.868   9.632 -12.879
  455    H    ASP  58           H        ASP  58   3.308  10.359 -11.401
  456    HA   ASP  58           HA       ASP  58   4.858  12.842 -11.874
  457   1HB   ASP  58          1HB       ASP  58   3.887  13.645  -9.835
  458   2HB   ASP  58          2HB       ASP  58   2.610  13.305 -11.016
  459    H    GLY  59           H        GLY  59   4.226  10.052  -9.710
  460   1HA   GLY  59          1HA       GLY  59   6.710   9.130  -9.138
  461   2HA   GLY  59          2HA       GLY  59   6.550  10.528  -8.046
  462    H    GLU  60           H        GLU  60   4.106  10.643  -7.128
  463    HA   GLU  60           HA       GLU  60   3.916   8.205  -5.492
  464   1HB   GLU  60          1HB       GLU  60   2.421  10.845  -5.368
  465   2HB   GLU  60          2HB       GLU  60   2.232   9.469  -4.252
  466   1HG   GLU  60          1HG       GLU  60   3.670  11.116  -3.230
  467   2HG   GLU  60          2HG       GLU  60   4.594   9.654  -3.586
  468    H    VAL  61           H        VAL  61   2.278   6.721  -5.582
  469    HA   VAL  61           HA       VAL  61   1.236   6.468  -8.290
  470    HB   VAL  61           HB       VAL  61   0.972   4.549  -5.963
  471   1HG1  VAL  61          3HG1      VAL  61  -0.437   4.121  -7.999
  472   2HG1  VAL  61          1HG1      VAL  61   1.053   4.006  -8.955
  473   3HG1  VAL  61          2HG1      VAL  61   0.738   2.845  -7.649
  474   1HG2  VAL  61          3HG2      VAL  61   3.221   4.726  -8.029
  475   2HG2  VAL  61          1HG2      VAL  61   3.397   5.049  -6.298
  476   3HG2  VAL  61          2HG2      VAL  61   2.995   3.425  -6.860
  477    H    SER  62           H        SER  62  -0.660   7.511  -8.784
  478    HA   SER  62           HA       SER  62  -2.875   7.596  -6.880
  479   1HB   SER  62          1HB       SER  62  -2.452   9.445  -8.484
  480   2HB   SER  62          2HB       SER  62  -2.987   8.367  -9.793
  481    HG   SER  62           HG       SER  62  -4.473   9.085  -7.448
  482    H    PHE  63           H        PHE  63  -5.111   6.908  -7.901
  483    HA   PHE  63           HA       PHE  63  -5.004   4.102  -7.560
  484   1HB   PHE  63          1HB       PHE  63  -6.899   5.479  -6.831
  485   2HB   PHE  63          2HB       PHE  63  -7.367   5.744  -8.514
  486    HD1  PHE  63           HD1      PHE  63  -6.606   2.943  -6.097
  487    HD2  PHE  63           HD2      PHE  63  -8.945   4.223  -9.489
  488    HE1  PHE  63           HE1      PHE  63  -7.718   0.744  -6.159
  489    HE2  PHE  63           HE2      PHE  63 -10.145   2.054  -9.462
  490    HZ   PHE  63           HZ       PHE  63  -9.569   0.326  -7.753
  491    H    GLU  64           H        GLU  64  -5.394   5.982 -10.547
  492    HA   GLU  64           HA       GLU  64  -6.137   3.745 -12.179
  493   1HB   GLU  64          1HB       GLU  64  -4.874   6.440 -12.884
  494   2HB   GLU  64          2HB       GLU  64  -5.413   5.246 -14.068
  495   1HG   GLU  64          1HG       GLU  64  -7.137   6.941 -13.763
  496   2HG   GLU  64          2HG       GLU  64  -7.717   5.360 -13.226
  497    H    GLU  65           H        GLU  65  -2.988   5.451 -11.898
  498    HA   GLU  65           HA       GLU  65  -1.508   3.473 -13.307
  499   1HB   GLU  65          1HB       GLU  65   0.492   4.559 -12.305
  500   2HB   GLU  65          2HB       GLU  65  -0.623   5.620 -13.166
  501   1HG   GLU  65          1HG       GLU  65  -1.601   6.316 -10.910
  502   2HG   GLU  65          2HG       GLU  65  -0.311   5.385 -10.151
  503    H    PHE  66           H        PHE  66  -2.332   3.680  -9.823
  504    HA   PHE  66           HA       PHE  66  -0.874   1.481  -8.864
  505   1HB   PHE  66          1HB       PHE  66  -2.096   2.780  -7.319
  506   2HB   PHE  66          2HB       PHE  66  -3.546   2.647  -8.289
  507    HD1  PHE  66           HD1      PHE  66  -1.379   0.623  -5.987
  508    HD2  PHE  66           HD2      PHE  66  -5.186   1.093  -7.924
  509    HE1  PHE  66           HE1      PHE  66  -2.340  -1.176  -4.563
  510    HE2  PHE  66           HE2      PHE  66  -6.066  -0.883  -6.733
  511    HZ   PHE  66           HZ       PHE  66  -4.679  -1.928  -4.913
  512    H    GLN  67           H        GLN  67  -3.680   1.406 -11.102
  513    HA   GLN  67           HA       GLN  67  -4.263  -1.347 -10.759
  514   1HB   GLN  67          1HB       GLN  67  -4.373   0.166 -13.394
  515   2HB   GLN  67          2HB       GLN  67  -5.131  -1.380 -13.020
  516   1HG   GLN  67          1HG       GLN  67  -5.900   1.334 -11.918
  517   2HG   GLN  67          2HG       GLN  67  -6.855   0.230 -12.895
  518   1HE2  GLN  67          1HE2      GLN  67  -7.052   0.059  -8.885
  519   2HE2  GLN  67          2HE2      GLN  67  -6.332   1.378  -9.792
  520    H    VAL  68           H        VAL  68  -1.356   0.049 -12.156
  521    HA   VAL  68           HA       VAL  68  -0.470  -2.205 -13.638
  522    HB   VAL  68           HB       VAL  68   1.071  -0.150 -12.050
  523   1HG1  VAL  68          1HG1      VAL  68   2.051  -2.142 -14.156
  524   2HG1  VAL  68          2HG1      VAL  68   3.001  -0.781 -13.528
  525   3HG1  VAL  68          3HG1      VAL  68   2.546  -2.104 -12.453
  526   1HG2  VAL  68          1HG2      VAL  68  -0.315   0.743 -13.975
  527   2HG2  VAL  68          2HG2      VAL  68   1.423   0.918 -14.239
  528   3HG2  VAL  68          3HG2      VAL  68   0.525  -0.381 -15.050
  529    H    LEU  69           H        LEU  69  -0.739  -1.669 -10.154
  530    HA   LEU  69           HA       LEU  69   0.912  -3.893  -9.336
  531   1HB   LEU  69          1HB       LEU  69   0.261  -1.950  -7.910
  532   2HB   LEU  69          2HB       LEU  69  -1.406  -2.510  -7.892
  533    HG   LEU  69           HG       LEU  69   0.678  -4.480  -7.021
  534   1HD1  LEU  69          1HD1      LEU  69  -0.151  -2.066  -5.355
  535   2HD1  LEU  69          2HD1      LEU  69   0.694  -3.497  -4.729
  536   3HD1  LEU  69          3HD1      LEU  69   1.487  -2.455  -5.924
  537   1HD2  LEU  69          1HD2      LEU  69  -1.767  -5.045  -6.989
  538   2HD2  LEU  69          2HD2      LEU  69  -1.075  -5.041  -5.361
  539   3HD2  LEU  69          3HD2      LEU  69  -2.059  -3.672  -5.908
  540    H    VAL  70           H        VAL  70  -2.545  -3.415 -10.137
  541    HA   VAL  70           HA       VAL  70  -3.356  -6.088  -9.403
  542    HB   VAL  70           HB       VAL  70  -4.752  -4.127 -11.279
  543   1HG1  VAL  70          1HG1      VAL  70  -5.796  -6.420  -9.556
  544   2HG1  VAL  70          2HG1      VAL  70  -6.787  -5.312 -10.528
  545   3HG1  VAL  70          3HG1      VAL  70  -5.667  -6.421 -11.327
  546   1HG2  VAL  70          3HG2      VAL  70  -4.855  -4.396  -8.245
  547   2HG2  VAL  70          1HG2      VAL  70  -4.322  -2.970  -9.141
  548   3HG2  VAL  70          2HG2      VAL  70  -6.014  -3.452  -9.210
  549    H    LYS  71           H        LYS  71  -2.137  -4.497 -12.340
  550    HA   LYS  71           HA       LYS  71  -2.318  -6.743 -14.063
  551   1HB   LYS  71          1HB       LYS  71  -1.810  -4.722 -15.100
  552   2HB   LYS  71          2HB       LYS  71  -0.467  -4.375 -14.018
  553   1HG   LYS  71          1HG       LYS  71   0.910  -6.101 -14.967
  554   2HG   LYS  71          2HG       LYS  71  -0.425  -6.660 -16.001
  555   1HD   LYS  71          1HD       LYS  71  -0.469  -4.464 -17.143
  556   2HD   LYS  71          2HD       LYS  71   0.848  -3.885 -16.098
  557   1HE   LYS  71          1HE       LYS  71   2.337  -5.672 -16.994
  558   2HE   LYS  71          2HE       LYS  71   1.018  -6.248 -18.033
  559   1HZ   LYS  71          3HZ       LYS  71   1.029  -4.126 -19.120
  560   2HZ   LYS  71          1HZ       LYS  71   2.253  -3.587 -18.155
  561   3HZ   LYS  71          2HZ       LYS  71   2.518  -4.828 -19.206
  562    H    LYS  72           H        LYS  72   0.388  -5.744 -11.973
  563    HA   LYS  72           HA       LYS  72   1.949  -8.073 -12.257
  564   1HB   LYS  72          1HB       LYS  72   1.692  -6.058 -10.026
  565   2HB   LYS  72          2HB       LYS  72   2.489  -7.590  -9.695
  566   1HG   LYS  72          1HG       LYS  72   4.194  -6.126 -10.240
  567   2HG   LYS  72          2HG       LYS  72   4.030  -7.207 -11.628
  568   1HD   LYS  72          1HD       LYS  72   2.697  -5.413 -12.800
  569   2HD   LYS  72          2HD       LYS  72   2.953  -4.355 -11.403
  570   1HE   LYS  72          1HE       LYS  72   5.172  -5.531 -13.141
  571   2HE   LYS  72          2HE       LYS  72   4.532  -3.886 -13.272
  572   1HZ   LYS  72          3HZ       LYS  72   5.250  -3.476 -11.039
  573   2HZ   LYS  72          1HZ       LYS  72   5.853  -5.005 -10.903
  574   3HZ   LYS  72          2HZ       LYS  72   6.525  -3.952 -11.972
  575    H    ILE  73           H        ILE  73  -0.748  -7.590  -9.986
  576    HA   ILE  73           HA       ILE  73  -0.610 -10.171  -8.795
  577    HB   ILE  73           HB       ILE  73  -3.030  -8.387  -9.251
  578   1HG1  ILE  73          1HG1      ILE  73  -1.349  -8.998  -6.775
  579   2HG1  ILE  73          2HG1      ILE  73  -1.252  -7.520  -7.739
  580   1HG2  ILE  73          3HG2      ILE  73  -3.819 -10.725  -9.019
  581   2HG2  ILE  73          1HG2      ILE  73  -2.848 -10.904  -7.544
  582   3HG2  ILE  73          2HG2      ILE  73  -4.231  -9.790  -7.610
  583   1HD1  ILE  73          3HD1      ILE  73  -3.656  -7.038  -7.180
  584   2HD1  ILE  73          1HD1      ILE  73  -3.611  -8.412  -6.049
  585   3HD1  ILE  73          2HD1      ILE  73  -2.547  -7.033  -5.795
  586    H    SER  74           H        SER  74  -2.341  -9.125 -11.719
  587    HA   SER  74           HA       SER  74  -2.409 -11.883 -12.736
  588   1HB   SER  74          1HB       SER  74  -4.197 -12.054 -11.129
  589   2HB   SER  74          2HB       SER  74  -4.927 -10.533 -11.676
  590    HG   SER  74           HG       SER  74  -5.744 -11.525 -13.380
  591    H    GLN  75           H        GLN  75  -3.894  -8.661 -13.093
  592    HA   GLN  75           HA       GLN  75  -4.717  -9.312 -15.792
  593   1HB   GLN  75          1HB       GLN  75  -4.597  -6.538 -14.538
  594   2HB   GLN  75          2HB       GLN  75  -5.547  -7.054 -15.938
  595   1HG   GLN  75          1HG       GLN  75  -5.901  -7.919 -13.037
  596   2HG   GLN  75          2HG       GLN  75  -7.013  -6.956 -14.006
  597   1HE2  GLN  75          1HE2      GLN  75  -8.230  -9.836 -15.856
  598   2HE2  GLN  75          2HE2      GLN  75  -7.895  -8.125 -16.045
   
  No H/Q in entry =         598
  Start of MODEL           6
 Raw file had  599 H/Q atoms
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1  -8.184 -10.806  -4.914
    2   2H    LYS   1          2H        LYS   1  -7.001  -9.635  -5.156
    3   3H    LYS   1          3H        LYS   1  -7.112 -10.425  -3.675
    4    HA   LYS   1           HA       LYS   1  -9.245  -9.473  -3.269
    5   1HB   LYS   1          1HB       LYS   1  -7.100  -7.466  -4.084
    6   2HB   LYS   1          2HB       LYS   1  -8.445  -7.118  -2.993
    7   1HG   LYS   1          1HG       LYS   1  -6.174  -9.088  -2.488
    8   2HG   LYS   1          2HG       LYS   1  -6.332  -7.460  -1.807
    9   1HD   LYS   1          1HD       LYS   1  -8.561  -8.253  -0.781
   10   2HD   LYS   1          2HD       LYS   1  -8.040  -9.895  -1.199
   11   1HE   LYS   1          1HE       LYS   1  -6.598  -7.894   0.617
   12   2HE   LYS   1          2HE       LYS   1  -7.414  -9.381   1.115
   13   1HZ   LYS   1          3HZ       LYS   1  -5.782 -10.610  -0.147
   14   2HZ   LYS   1          1HZ       LYS   1  -5.014  -9.216  -0.576
   15   3HZ   LYS   1          2HZ       LYS   1  -5.063  -9.671   1.001
   16    H    SER   2           H        SER   2 -11.046  -8.301  -4.079
   17    HA   SER   2           HA       SER   2 -11.350  -8.153  -6.946
   18   1HB   SER   2          1HB       SER   2 -13.551  -7.139  -6.389
   19   2HB   SER   2          2HB       SER   2 -13.257  -8.605  -5.446
   20    HG   SER   2           HG       SER   2 -12.835  -7.386  -3.676
   21    HA   PRO   3           HA       PRO   3  -9.999  -3.914  -7.812
   22   1HB   PRO   3          1HB       PRO   3 -12.828  -3.580  -8.843
   23   2HB   PRO   3          2HB       PRO   3 -11.302  -2.972  -9.551
   24   1HG   PRO   3          1HG       PRO   3 -12.405  -5.236 -10.537
   25   2HG   PRO   3          2HG       PRO   3 -10.649  -5.200 -10.193
   26   1HD   PRO   3          1HD       PRO   3 -12.857  -6.389  -8.506
   27   2HD   PRO   3          2HD       PRO   3 -11.249  -7.061  -8.910
   28    H    GLU   4           H        GLU   4 -13.284  -4.358  -6.441
   29    HA   GLU   4           HA       GLU   4 -13.557  -1.831  -5.199
   30   1HB   GLU   4          1HB       GLU   4 -14.708  -4.553  -4.434
   31   2HB   GLU   4          2HB       GLU   4 -15.258  -2.995  -3.797
   32   1HG   GLU   4          1HG       GLU   4 -15.893  -2.256  -6.067
   33   2HG   GLU   4          2HG       GLU   4 -15.344  -3.793  -6.751
   34    H    GLU   5           H        GLU   5 -12.181  -4.889  -4.008
   35    HA   GLU   5           HA       GLU   5 -11.649  -3.891  -1.330
   36   1HB   GLU   5          1HB       GLU   5 -10.579  -6.218  -2.948
   37   2HB   GLU   5          2HB       GLU   5  -9.969  -5.836  -1.331
   38   1HG   GLU   5          1HG       GLU   5 -12.087  -6.209  -0.298
   39   2HG   GLU   5          2HG       GLU   5 -12.938  -6.257  -1.844
   40    H    LEU   6           H        LEU   6  -9.790  -4.153  -4.347
   41    HA   LEU   6           HA       LEU   6  -7.350  -3.163  -3.331
   42   1HB   LEU   6          1HB       LEU   6  -8.546  -3.221  -6.117
   43   2HB   LEU   6          2HB       LEU   6  -6.946  -2.617  -5.795
   44    HG   LEU   6           HG       LEU   6  -7.697  -5.294  -4.620
   45   1HD1  LEU   6          1HD1      LEU   6  -6.895  -4.916  -7.511
   46   2HD1  LEU   6          2HD1      LEU   6  -6.775  -6.450  -6.611
   47   3HD1  LEU   6          3HD1      LEU   6  -8.353  -5.691  -6.897
   48   1HD2  LEU   6          1HD2      LEU   6  -5.488  -4.171  -4.095
   49   2HD2  LEU   6          2HD2      LEU   6  -5.284  -5.723  -4.938
   50   3HD2  LEU   6          3HD2      LEU   6  -5.098  -4.205  -5.822
   51    H    LYS   7           H        LYS   7 -10.101  -1.387  -4.758
   52    HA   LYS   7           HA       LYS   7  -8.988   1.221  -4.452
   53   1HB   LYS   7          1HB       LYS   7 -11.069   0.618  -5.737
   54   2HB   LYS   7          2HB       LYS   7 -11.881   0.255  -4.232
   55   1HG   LYS   7          1HG       LYS   7 -12.673   2.317  -4.987
   56   2HG   LYS   7          2HG       LYS   7 -11.739   2.641  -3.536
   57   1HD   LYS   7          1HD       LYS   7 -10.329   2.882  -6.204
   58   2HD   LYS   7          2HD       LYS   7 -11.572   4.078  -5.832
   59   1HE   LYS   7          1HE       LYS   7 -10.463   4.697  -3.751
   60   2HE   LYS   7          2HE       LYS   7  -9.182   3.498  -4.040
   61   1HZ   LYS   7          3HZ       LYS   7  -8.624   4.687  -6.024
   62   2HZ   LYS   7          1HZ       LYS   7  -9.789   5.815  -5.729
   63   3HZ   LYS   7          2HZ       LYS   7  -8.508   5.662  -4.701
   64    H    GLY   8           H        GLY   8 -11.082  -0.631  -2.258
   65   1HA   GLY   8          1HA       GLY   8 -11.202   1.180  -0.099
   66   2HA   GLY   8          2HA       GLY   8 -11.244  -0.586   0.073
   67    H    ILE   9           H        ILE   9  -8.828  -1.361  -0.704
   68    HA   ILE   9           HA       ILE   9  -7.036  -1.018   1.461
   69    HB   ILE   9           HB       ILE   9  -6.836  -2.167  -1.313
   70   1HG1  ILE   9          1HG1      ILE   9  -8.341  -3.089   0.640
   71   2HG1  ILE   9          2HG1      ILE   9  -7.400  -4.192  -0.374
   72   1HG2  ILE   9          1HG2      ILE   9  -4.717  -2.249   0.838
   73   2HG2  ILE   9          2HG2      ILE   9  -4.796  -3.362  -0.548
   74   3HG2  ILE   9          3HG2      ILE   9  -4.580  -1.630  -0.817
   75   1HD1  ILE   9          1HD1      ILE   9  -6.479  -3.181   2.351
   76   2HD1  ILE   9          2HD1      ILE   9  -7.369  -4.693   2.080
   77   3HD1  ILE   9          3HD1      ILE   9  -5.776  -4.484   1.352
   78    H    PHE  10           H        PHE  10  -6.933   0.236  -1.930
   79    HA   PHE  10           HA       PHE  10  -4.582   1.717  -1.797
   80   1HB   PHE  10          1HB       PHE  10  -5.957   1.315  -3.858
   81   2HB   PHE  10          2HB       PHE  10  -7.172   2.385  -3.263
   82    HD1  PHE  10           HD1      PHE  10  -6.811   4.821  -2.989
   83    HD2  PHE  10           HD2      PHE  10  -3.882   2.233  -4.821
   84    HE1  PHE  10           HE1      PHE  10  -5.755   6.761  -4.030
   85    HE2  PHE  10           HE2      PHE  10  -2.786   4.227  -5.844
   86    HZ   PHE  10           HZ       PHE  10  -3.751   6.470  -5.504
   87    H    GLU  11           H        GLU  11  -7.918   2.744  -0.936
   88    HA   GLU  11           HA       GLU  11  -7.194   5.388  -0.069
   89   1HB   GLU  11          1HB       GLU  11  -9.560   3.615   0.672
   90   2HB   GLU  11          2HB       GLU  11  -9.394   5.315   1.135
   91   1HG   GLU  11          1HG       GLU  11  -9.345   6.015  -1.204
   92   2HG   GLU  11          2HG       GLU  11  -9.355   4.330  -1.741
   93    H    LYS  12           H        LYS  12  -7.799   2.377   1.767
   94    HA   LYS  12           HA       LYS  12  -7.404   3.170   4.364
   95   1HB   LYS  12          1HB       LYS  12  -8.061   0.950   3.940
   96   2HB   LYS  12          2HB       LYS  12  -6.655   0.603   2.931
   97   1HG   LYS  12          1HG       LYS  12  -5.146   0.524   4.719
   98   2HG   LYS  12          2HG       LYS  12  -6.344   1.218   5.861
   99   1HD   LYS  12          1HD       LYS  12  -7.774  -0.883   5.327
  100   2HD   LYS  12          2HD       LYS  12  -6.314  -1.554   4.587
  101   1HE   LYS  12          1HE       LYS  12  -6.672  -0.633   7.484
  102   2HE   LYS  12          2HE       LYS  12  -6.570  -2.308   6.925
  103   1HZ   LYS  12          1HZ       LYS  12  -4.418  -0.324   6.687
  104   2HZ   LYS  12          2HZ       LYS  12  -4.512  -1.500   7.837
  105   3HZ   LYS  12          3HZ       LYS  12  -4.326  -1.913   6.257
  106    H    TYR  13           H        TYR  13  -4.782   2.118   2.125
  107    HA   TYR  13           HA       TYR  13  -2.768   2.840   4.135
  108   1HB   TYR  13          1HB       TYR  13  -2.566   1.813   1.324
  109   2HB   TYR  13          2HB       TYR  13  -1.169   2.222   2.316
  110    HD1  TYR  13           HD1      TYR  13  -0.886   1.152   4.585
  111    HD2  TYR  13           HD2      TYR  13  -3.921  -0.195   1.911
  112    HE1  TYR  13           HE1      TYR  13  -1.118  -0.968   5.888
  113    HE2  TYR  13           HE2      TYR  13  -4.146  -2.278   3.107
  114    HH   TYR  13           HH       TYR  13  -3.432  -3.527   5.000
  115    H    ALA  14           H        ALA  14  -3.878   4.257   1.056
  116    HA   ALA  14           HA       ALA  14  -1.977   6.349   0.854
  117   1HB   ALA  14          3HB       ALA  14  -3.598   5.772  -0.936
  118   2HB   ALA  14          1HB       ALA  14  -4.914   6.396   0.081
  119   3HB   ALA  14          2HB       ALA  14  -3.643   7.481  -0.520
  120    H    ALA  15           H        ALA  15  -4.923   6.193   2.794
  121    HA   ALA  15           HA       ALA  15  -4.753   8.928   3.649
  122   1HB   ALA  15          3HB       ALA  15  -6.848   7.533   3.730
  123   2HB   ALA  15          1HB       ALA  15  -6.088   6.533   5.000
  124   3HB   ALA  15          2HB       ALA  15  -6.450   8.237   5.318
  125    H    LYS  16           H        LYS  16  -2.760   6.226   4.623
  126    HA   LYS  16           HA       LYS  16  -2.505   7.104   7.396
  127   1HB   LYS  16          1HB       LYS  16  -0.831   5.116   5.803
  128   2HB   LYS  16          2HB       LYS  16  -0.724   5.410   7.547
  129   1HG   LYS  16          1HG       LYS  16  -3.124   4.730   7.780
  130   2HG   LYS  16          2HG       LYS  16  -3.131   4.350   6.049
  131   1HD   LYS  16          1HD       LYS  16  -1.181   2.774   6.460
  132   2HD   LYS  16          2HD       LYS  16  -1.415   3.025   8.196
  133   1HE   LYS  16          1HE       LYS  16  -3.441   1.855   6.223
  134   2HE   LYS  16          2HE       LYS  16  -2.530   0.960   7.451
  135   1HZ   LYS  16          3HZ       LYS  16  -3.666   2.262   9.121
  136   2HZ   LYS  16          1HZ       LYS  16  -4.529   3.050   7.957
  137   3HZ   LYS  16          2HZ       LYS  16  -4.736   1.431   8.183
  138    H    GLU  17           H        GLU  17  -2.173   9.289   6.382
  139    HA   GLU  17           HA       GLU  17  -1.072  11.096   5.884
  140   1HB   GLU  17          1HB       GLU  17   1.563   9.815   6.589
  141   2HB   GLU  17          2HB       GLU  17   1.147  11.521   6.273
  142   1HG   GLU  17          1HG       GLU  17  -0.407  11.491   8.243
  143   2HG   GLU  17          2HG       GLU  17   0.039   9.806   8.564
  144    H    GLY  18           H        GLY  18  -1.105  11.672   3.976
  145   1HA   GLY  18          1HA       GLY  18   0.533  11.657   1.829
  146   2HA   GLY  18          2HA       GLY  18  -0.211  10.039   1.716
  147    H    ASP  19           H        ASP  19  -0.930  11.384  -0.346
  148    HA   ASP  19           HA       ASP  19  -3.397  12.931   0.089
  149   1HB   ASP  19          1HB       ASP  19  -2.045  13.544  -1.807
  150   2HB   ASP  19          2HB       ASP  19  -1.942  11.865  -2.345
  151    HA   PRO  20           HA       PRO  20  -5.359   8.833   0.653
  152   1HB   PRO  20          1HB       PRO  20  -8.001   9.585   0.154
  153   2HB   PRO  20          2HB       PRO  20  -7.154   9.660   1.727
  154   1HG   PRO  20          1HG       PRO  20  -7.561  11.862  -0.297
  155   2HG   PRO  20          2HG       PRO  20  -7.741  11.954   1.479
  156   1HD   PRO  20          1HD       PRO  20  -5.538  12.865   0.266
  157   2HD   PRO  20          2HD       PRO  20  -5.365  11.945   1.788
  158    H    ASN  21           H        ASN  21  -5.733  10.955  -2.177
  159    HA   ASN  21           HA       ASN  21  -6.875   8.913  -3.911
  160   1HB   ASN  21          1HB       ASN  21  -5.778  11.671  -4.561
  161   2HB   ASN  21          2HB       ASN  21  -6.798  10.656  -5.567
  162   1HD2  ASN  21          1HD2      ASN  21  -8.444  12.994  -2.668
  163   2HD2  ASN  21          2HD2      ASN  21  -6.696  12.845  -2.821
  164    H    GLN  22           H        GLN  22  -3.648   9.488  -2.820
  165    HA   GLN  22           HA       GLN  22  -2.477   8.210  -5.195
  166   1HB   GLN  22          1HB       GLN  22  -2.764  10.574  -5.827
  167   2HB   GLN  22          2HB       GLN  22  -1.809  11.063  -4.420
  168   1HG   GLN  22          1HG       GLN  22   0.106   9.829  -5.292
  169   2HG   GLN  22          2HG       GLN  22  -0.845   9.236  -6.648
  170   1HE2  GLN  22          1HE2      GLN  22   0.450  13.151  -6.694
  171   2HE2  GLN  22          2HE2      GLN  22   0.460  12.260  -5.177
  172    H    LEU  23           H        LEU  23  -1.036   6.739  -4.443
  173    HA   LEU  23           HA       LEU  23  -0.347   6.756  -1.616
  174   1HB   LEU  23          1HB       LEU  23   0.393   4.870  -3.867
  175   2HB   LEU  23          2HB       LEU  23   0.793   4.671  -2.183
  176    HG   LEU  23           HG       LEU  23  -2.117   4.927  -2.931
  177   1HD1  LEU  23          1HD1      LEU  23  -0.419   2.401  -2.978
  178   2HD1  LEU  23          2HD1      LEU  23  -2.177   2.456  -3.122
  179   3HD1  LEU  23          3HD1      LEU  23  -1.156   3.164  -4.402
  180   1HD2  LEU  23          1HD2      LEU  23  -1.286   4.915  -0.536
  181   2HD2  LEU  23          2HD2      LEU  23  -2.385   3.570  -0.908
  182   3HD2  LEU  23          3HD2      LEU  23  -0.637   3.294  -0.796
  183    H    SER  24           H        SER  24   1.567   7.531  -0.759
  184    HA   SER  24           HA       SER  24   3.914   7.922  -2.523
  185   1HB   SER  24          1HB       SER  24   4.599   9.470  -1.134
  186   2HB   SER  24          2HB       SER  24   3.045   9.388  -0.318
  187    HG   SER  24           HG       SER  24   3.965   8.102   1.233
  188    H    LYS  25           H        LYS  25   6.021   7.093  -1.261
  189    HA   LYS  25           HA       LYS  25   6.005   4.343  -1.817
  190   1HB   LYS  25          1HB       LYS  25   7.994   6.031  -0.211
  191   2HB   LYS  25          2HB       LYS  25   8.289   4.353  -0.694
  192   1HG   LYS  25          1HG       LYS  25   8.093   4.951  -3.063
  193   2HG   LYS  25          2HG       LYS  25   7.788   6.645  -2.634
  194   1HD   LYS  25          1HD       LYS  25  10.019   6.762  -1.544
  195   2HD   LYS  25          2HD       LYS  25  10.324   5.069  -1.986
  196   1HE   LYS  25          1HE       LYS  25  10.105   5.653  -4.393
  197   2HE   LYS  25          2HE       LYS  25   9.775   7.340  -3.958
  198   1HZ   LYS  25          3HZ       LYS  25  11.956   7.429  -2.963
  199   2HZ   LYS  25          1HZ       LYS  25  12.270   5.876  -3.426
  200   3HZ   LYS  25          2HZ       LYS  25  12.035   7.043  -4.561
  201    H    GLU  26           H        GLU  26   5.835   5.957   1.389
  202    HA   GLU  26           HA       GLU  26   6.241   3.495   2.804
  203   1HB   GLU  26          1HB       GLU  26   4.795   6.006   3.833
  204   2HB   GLU  26          2HB       GLU  26   5.555   4.726   4.790
  205   1HG   GLU  26          1HG       GLU  26   7.739   5.324   3.598
  206   2HG   GLU  26          2HG       GLU  26   6.933   6.782   3.002
  207    H    GLU  27           H        GLU  27   3.321   5.287   1.997
  208    HA   GLU  27           HA       GLU  27   1.426   3.473   3.044
  209   1HB   GLU  27          1HB       GLU  27   1.098   5.059   0.461
  210   2HB   GLU  27          2HB       GLU  27  -0.157   4.356   1.488
  211   1HG   GLU  27          1HG       GLU  27  -0.225   6.518   2.298
  212   2HG   GLU  27          2HG       GLU  27   0.985   5.868   3.394
  213    H    LEU  28           H        LEU  28   2.901   3.489  -0.312
  214    HA   LEU  28           HA       LEU  28   1.836   0.956  -1.022
  215   1HB   LEU  28          1HB       LEU  28   4.317   2.479  -1.844
  216   2HB   LEU  28          2HB       LEU  28   4.044   0.841  -2.464
  217    HG   LEU  28           HG       LEU  28   1.808   2.798  -2.465
  218   1HD1  LEU  28          3HD1      LEU  28   3.667   4.013  -3.478
  219   2HD1  LEU  28          1HD1      LEU  28   3.910   2.664  -4.636
  220   3HD1  LEU  28          2HD1      LEU  28   2.409   3.628  -4.660
  221   1HD2  LEU  28          3HD2      LEU  28   2.610   0.523  -4.362
  222   2HD2  LEU  28          1HD2      LEU  28   1.318   0.441  -3.151
  223   3HD2  LEU  28          2HD2      LEU  28   1.155   1.513  -4.553
  224    H    LYS  29           H        LYS  29   4.760   1.610   0.874
  225    HA   LYS  29           HA       LYS  29   5.634  -1.115   0.737
  226   1HB   LYS  29          1HB       LYS  29   6.959   0.894   1.599
  227   2HB   LYS  29          2HB       LYS  29   5.958   0.910   3.025
  228   1HG   LYS  29          1HG       LYS  29   6.720  -1.480   3.517
  229   2HG   LYS  29          2HG       LYS  29   7.856  -1.317   2.167
  230   1HD   LYS  29          1HD       LYS  29   8.870   0.670   3.340
  231   2HD   LYS  29          2HD       LYS  29   7.727   0.435   4.675
  232   1HE   LYS  29          1HE       LYS  29   8.654  -1.826   5.098
  233   2HE   LYS  29          2HE       LYS  29   9.785  -1.629   3.747
  234   1HZ   LYS  29          1HZ       LYS  29   9.705   0.030   6.168
  235   2HZ   LYS  29          2HZ       LYS  29  10.806  -1.149   5.836
  236   3HZ   LYS  29          3HZ       LYS  29  10.757   0.214   4.913
  237    H    LEU  30           H        LEU  30   3.806   0.593   3.283
  238    HA   LEU  30           HA       LEU  30   3.304  -1.798   4.763
  239   1HB   LEU  30          1HB       LEU  30   1.966   0.929   4.670
  240   2HB   LEU  30          2HB       LEU  30   1.198  -0.368   5.578
  241    HG   LEU  30           HG       LEU  30   2.562   1.115   6.976
  242   1HD1  LEU  30          3HD1      LEU  30   2.047  -1.215   7.653
  243   2HD1  LEU  30          1HD1      LEU  30   3.595  -1.752   6.970
  244   3HD1  LEU  30          2HD1      LEU  30   3.571  -0.616   8.326
  245   1HD2  LEU  30          1HD2      LEU  30   4.433   1.584   5.436
  246   2HD2  LEU  30          2HD2      LEU  30   4.992   0.983   7.002
  247   3HD2  LEU  30          3HD2      LEU  30   4.997  -0.097   5.600
  248    H    LEU  31           H        LEU  31   1.365  -0.295   2.216
  249    HA   LEU  31           HA       LEU  31  -0.779  -2.118   2.169
  250   1HB   LEU  31          1HB       LEU  31  -0.569  -0.012   0.898
  251   2HB   LEU  31          2HB       LEU  31   0.593  -0.754  -0.184
  252    HG   LEU  31           HG       LEU  31  -2.188  -1.931   0.154
  253   1HD1  LEU  31          1HD1      LEU  31  -1.332   0.426  -1.590
  254   2HD1  LEU  31          2HD1      LEU  31  -2.813  -0.506  -1.870
  255   3HD1  LEU  31          3HD1      LEU  31  -2.619   0.396  -0.366
  256   1HD2  LEU  31          3HD2      LEU  31  -0.174  -1.786  -2.175
  257   2HD2  LEU  31          1HD2      LEU  31  -0.502  -3.222  -1.199
  258   3HD2  LEU  31          2HD2      LEU  31  -1.757  -2.571  -2.257
  259    H    LEU  32           H        LEU  32   2.282  -2.276   0.368
  260    HA   LEU  32           HA       LEU  32   1.868  -4.799  -0.870
  261   1HB   LEU  32          1HB       LEU  32   4.401  -3.336  -0.032
  262   2HB   LEU  32          2HB       LEU  32   4.455  -4.871  -0.889
  263    HG   LEU  32           HG       LEU  32   2.912  -2.515  -2.036
  264   1HD1  LEU  32          1HD1      LEU  32   5.858  -3.205  -2.455
  265   2HD1  LEU  32          2HD1      LEU  32   4.938  -1.984  -3.358
  266   3HD1  LEU  32          3HD1      LEU  32   5.246  -1.759  -1.630
  267   1HD2  LEU  32          3HD2      LEU  32   4.248  -4.957  -3.264
  268   2HD2  LEU  32          1HD2      LEU  32   2.497  -4.741  -3.036
  269   3HD2  LEU  32          2HD2      LEU  32   3.382  -3.686  -4.151
  270    H    GLN  33           H        GLN  33   3.712  -4.068   2.099
  271    HA   GLN  33           HA       GLN  33   4.451  -6.680   2.794
  272   1HB   GLN  33          1HB       GLN  33   3.809  -4.235   4.503
  273   2HB   GLN  33          2HB       GLN  33   4.516  -5.695   5.171
  274   1HG   GLN  33          1HG       GLN  33   5.801  -3.988   2.978
  275   2HG   GLN  33          2HG       GLN  33   6.164  -3.867   4.701
  276   1HE2  GLN  33          1HE2      GLN  33   7.660  -7.306   4.529
  277   2HE2  GLN  33          2HE2      GLN  33   6.299  -6.634   5.403
  278    H    THR  34           H        THR  34   1.641  -4.818   3.911
  279    HA   THR  34           HA       THR  34   0.775  -6.959   5.623
  280    HB   THR  34           HB       THR  34  -0.829  -4.526   4.757
  281    HG1  THR  34           HG1      THR  34   1.045  -3.737   5.495
  282   1HG2  THR  34          1HG2      THR  34  -0.832  -6.212   7.303
  283   2HG2  THR  34          2HG2      THR  34  -1.784  -4.739   7.039
  284   3HG2  THR  34          3HG2      THR  34  -2.116  -6.187   6.071
  285    H    GLU  35           H        GLU  35  -0.348  -5.782   2.375
  286    HA   GLU  35           HA       GLU  35  -2.573  -7.705   2.507
  287   1HB   GLU  35          1HB       GLU  35  -1.953  -5.416   0.624
  288   2HB   GLU  35          2HB       GLU  35  -3.446  -6.340   0.691
  289   1HG   GLU  35          1HG       GLU  35  -2.296  -4.529   2.875
  290   2HG   GLU  35          2HG       GLU  35  -3.598  -4.130   1.775
  291    H    PHE  36           H        PHE  36   0.468  -7.256   0.741
  292    HA   PHE  36           HA       PHE  36  -0.299  -9.581  -0.968
  293   1HB   PHE  36          1HB       PHE  36   0.897  -7.050  -2.098
  294   2HB   PHE  36          2HB       PHE  36   0.397  -8.500  -2.958
  295    HD1  PHE  36           HD1      PHE  36  -2.042  -8.986  -3.364
  296    HD2  PHE  36           HD2      PHE  36  -0.700  -5.408  -1.392
  297    HE1  PHE  36           HE1      PHE  36  -4.301  -7.954  -3.674
  298    HE2  PHE  36           HE2      PHE  36  -2.982  -4.440  -1.593
  299    HZ   PHE  36           HZ       PHE  36  -4.804  -5.778  -2.596
  300    HA   PRO  37           HA       PRO  37   4.081 -10.084   0.500
  301   1HB   PRO  37          1HB       PRO  37   3.729 -12.592   1.549
  302   2HB   PRO  37          2HB       PRO  37   3.530 -11.083   2.485
  303   1HG   PRO  37          1HG       PRO  37   1.365 -12.749   1.195
  304   2HG   PRO  37          2HG       PRO  37   1.389 -12.061   2.843
  305   1HD   PRO  37          1HD       PRO  37   0.081 -10.882   0.770
  306   2HD   PRO  37          2HD       PRO  37   0.859  -9.882   2.014
  307    H    SER  38           H        SER  38   1.475 -11.796  -1.134
  308    HA   SER  38           HA       SER  38   2.839 -13.751  -2.619
  309   1HB   SER  38          1HB       SER  38   0.323 -12.273  -3.460
  310   2HB   SER  38          2HB       SER  38   0.712 -13.992  -3.656
  311    HG   SER  38           HG       SER  38   0.534 -14.168  -1.353
  312    H    LEU  39           H        LEU  39   2.566 -10.284  -2.963
  313    HA   LEU  39           HA       LEU  39   3.668 -10.312  -5.728
  314   1HB   LEU  39          1HB       LEU  39   2.605  -8.204  -3.844
  315   2HB   LEU  39          2HB       LEU  39   3.532  -7.777  -5.297
  316    HG   LEU  39           HG       LEU  39   0.878  -9.280  -5.237
  317   1HD1  LEU  39          3HD1      LEU  39   0.753  -6.847  -4.648
  318   2HD1  LEU  39          1HD1      LEU  39   1.642  -6.462  -6.129
  319   3HD1  LEU  39          2HD1      LEU  39   0.013  -7.165  -6.221
  320   1HD2  LEU  39          3HD2      LEU  39   2.612  -8.361  -7.575
  321   2HD2  LEU  39          1HD2      LEU  39   2.085 -10.023  -7.220
  322   3HD2  LEU  39          2HD2      LEU  39   0.905  -8.819  -7.728
  323    H    LEU  40           H        LEU  40   4.279  -9.086  -2.462
  324    HA   LEU  40           HA       LEU  40   6.656  -7.846  -2.777
  325   1HB   LEU  40          1HB       LEU  40   5.340  -8.045  -0.635
  326   2HB   LEU  40          2HB       LEU  40   5.999  -9.681  -0.459
  327    HG   LEU  40           HG       LEU  40   8.327  -8.688  -0.395
  328   1HD1  LEU  40          1HD1      LEU  40   6.763  -6.079  -0.103
  329   2HD1  LEU  40          2HD1      LEU  40   8.497  -6.288   0.209
  330   3HD1  LEU  40          3HD1      LEU  40   7.874  -6.484  -1.432
  331   1HD2  LEU  40          1HD2      LEU  40   7.107  -9.426   1.608
  332   2HD2  LEU  40          2HD2      LEU  40   8.116  -8.012   1.942
  333   3HD2  LEU  40          3HD2      LEU  40   6.357  -7.822   1.749
  334    H    LYS  41           H        LYS  41   6.343 -11.340  -2.233
  335    HA   LYS  41           HA       LYS  41   8.046 -12.867  -1.777
  336   1HB   LYS  41          1HB       LYS  41   7.813 -12.283  -4.730
  337   2HB   LYS  41          2HB       LYS  41   8.379 -13.803  -3.986
  338   1HG   LYS  41          1HG       LYS  41   6.143 -13.991  -2.849
  339   2HG   LYS  41          2HG       LYS  41   5.605 -12.597  -3.789
  340   1HD   LYS  41          1HD       LYS  41   6.537 -15.293  -4.872
  341   2HD   LYS  41          2HD       LYS  41   4.891 -14.656  -4.880
  342   1HE   LYS  41          1HE       LYS  41   7.265 -13.654  -6.520
  343   2HE   LYS  41          2HE       LYS  41   5.785 -14.426  -7.096
  344   1HZ   LYS  41          3HZ       LYS  41   4.571 -12.522  -6.226
  345   2HZ   LYS  41          1HZ       LYS  41   5.983 -11.763  -5.866
  346   3HZ   LYS  41          2HZ       LYS  41   5.625 -12.118  -7.435
  347    H    GLY  42           H        GLY  42   9.602 -11.437  -4.610
  348   1HA   GLY  42          1HA       GLY  42  12.206 -12.171  -3.569
  349   2HA   GLY  42          2HA       GLY  42  11.845 -11.415  -5.126
  350    H    GLY  43           H        GLY  43  10.403  -9.446  -2.842
  351   1HA   GLY  43          1HA       GLY  43  11.021  -7.620  -1.614
  352   2HA   GLY  43          2HA       GLY  43  12.726  -8.066  -1.766
  353    H    SER  44           H        SER  44  13.464  -7.910  -4.234
  354    HA   SER  44           HA       SER  44  14.271  -6.350  -5.727
  355   1HB   SER  44          1HB       SER  44  12.103  -6.731  -6.821
  356   2HB   SER  44          2HB       SER  44  11.337  -5.489  -5.821
  357    HG   SER  44           HG       SER  44  11.998  -4.780  -7.945
  358    H    THR  45           H        THR  45  12.777  -3.573  -5.751
  359    HA   THR  45           HA       THR  45  13.489  -2.604  -3.033
  360    HB   THR  45           HB       THR  45  14.385  -0.516  -3.898
  361    HG1  THR  45           HG1      THR  45  14.309  -1.747  -6.440
  362   1HG2  THR  45          3HG2      THR  45  15.977  -2.364  -3.415
  363   2HG2  THR  45          1HG2      THR  45  15.891  -2.880  -5.112
  364   3HG2  THR  45          2HG2      THR  45  16.556  -1.288  -4.702
  365    H    LEU  46           H        LEU  46  12.063  -1.093  -2.257
  366    HA   LEU  46           HA       LEU  46   9.401  -0.996  -3.244
  367   1HB   LEU  46          1HB       LEU  46  10.868   1.150  -1.652
  368   2HB   LEU  46          2HB       LEU  46   9.125   0.801  -1.604
  369    HG   LEU  46           HG       LEU  46  11.460  -0.806  -0.529
  370   1HD1  LEU  46          3HD1      LEU  46  10.893   1.162   0.790
  371   2HD1  LEU  46          1HD1      LEU  46   9.198   0.645   0.881
  372   3HD1  LEU  46          2HD1      LEU  46  10.470  -0.313   1.675
  373   1HD2  LEU  46          3HD2      LEU  46   8.462  -1.471  -0.432
  374   2HD2  LEU  46          1HD2      LEU  46   9.704  -2.405  -1.293
  375   3HD2  LEU  46          2HD2      LEU  46   9.719  -2.343   0.474
  376    H    ASP  47           H        ASP  47  12.217   1.078  -3.542
  377    HA   ASP  47           HA       ASP  47  11.203   3.164  -5.077
  378   1HB   ASP  47          1HB       ASP  47  13.941   1.827  -5.233
  379   2HB   ASP  47          2HB       ASP  47  13.559   3.458  -5.809
  380    H    GLU  48           H        GLU  48  12.675   0.154  -6.339
  381    HA   GLU  48           HA       GLU  48  12.142   0.740  -9.056
  382   1HB   GLU  48          1HB       GLU  48  13.669  -1.049  -8.440
  383   2HB   GLU  48          2HB       GLU  48  12.359  -1.958  -7.651
  384   1HG   GLU  48          1HG       GLU  48  12.962  -2.879  -9.864
  385   2HG   GLU  48          2HG       GLU  48  11.276  -2.362  -9.800
  386    H    LEU  49           H        LEU  49  10.170  -1.089  -6.709
  387    HA   LEU  49           HA       LEU  49   8.032  -1.613  -8.544
  388   1HB   LEU  49          1HB       LEU  49   8.279  -1.509  -5.535
  389   2HB   LEU  49          2HB       LEU  49   6.661  -1.490  -6.224
  390    HG   LEU  49           HG       LEU  49   7.440  -3.734  -5.567
  391   1HD1  LEU  49          3HD1      LEU  49   5.651  -3.417  -7.247
  392   2HD1  LEU  49          1HD1      LEU  49   6.855  -3.505  -8.550
  393   3HD1  LEU  49          2HD1      LEU  49   6.577  -4.905  -7.503
  394   1HD2  LEU  49          1HD2      LEU  49   9.812  -3.568  -6.208
  395   2HD2  LEU  49          2HD2      LEU  49   9.026  -4.980  -6.932
  396   3HD2  LEU  49          3HD2      LEU  49   9.360  -3.552  -7.928
  397    H    PHE  50           H        PHE  50   8.621   1.142  -6.421
  398    HA   PHE  50           HA       PHE  50   6.176   2.497  -6.851
  399   1HB   PHE  50          1HB       PHE  50   7.879   2.946  -5.065
  400   2HB   PHE  50          2HB       PHE  50   8.962   3.620  -6.273
  401    HD1  PHE  50           HD1      PHE  50   5.727   4.012  -4.553
  402    HD2  PHE  50           HD2      PHE  50   8.685   5.933  -7.018
  403    HE1  PHE  50           HE1      PHE  50   4.846   6.219  -3.874
  404    HE2  PHE  50           HE2      PHE  50   7.933   8.151  -6.171
  405    HZ   PHE  50           HZ       PHE  50   6.127   8.274  -4.468
  406    H    GLU  51           H        GLU  51   9.360   2.821  -8.496
  407    HA   GLU  51           HA       GLU  51   8.485   4.789 -10.339
  408   1HB   GLU  51          1HB       GLU  51  10.887   4.123  -9.801
  409   2HB   GLU  51          2HB       GLU  51  10.638   2.652 -10.749
  410   1HG   GLU  51          1HG       GLU  51  11.781   4.328 -12.099
  411   2HG   GLU  51          2HG       GLU  51  10.170   4.050 -12.769
  412    H    GLU  52           H        GLU  52   8.575   1.251 -10.520
  413    HA   GLU  52           HA       GLU  52   7.663   0.957 -13.170
  414   1HB   GLU  52          1HB       GLU  52   8.701  -0.772 -11.685
  415   2HB   GLU  52          2HB       GLU  52   7.168  -0.937 -10.827
  416   1HG   GLU  52          1HG       GLU  52   7.555  -1.398 -13.827
  417   2HG   GLU  52          2HG       GLU  52   7.688  -2.670 -12.608
  418    H    LEU  53           H        LEU  53   5.832   1.229 -10.131
  419    HA   LEU  53           HA       LEU  53   3.254   0.901 -11.372
  420   1HB   LEU  53          1HB       LEU  53   4.166   1.979  -8.687
  421   2HB   LEU  53          2HB       LEU  53   2.475   1.786  -9.142
  422    HG   LEU  53           HG       LEU  53   4.443  -0.539  -9.133
  423   1HD1  LEU  53          3HD1      LEU  53   4.206   0.430  -6.865
  424   2HD1  LEU  53          1HD1      LEU  53   2.436   0.317  -7.007
  425   3HD1  LEU  53          2HD1      LEU  53   3.428  -1.159  -6.976
  426   1HD2  LEU  53          3HD2      LEU  53   1.409  -0.436  -9.273
  427   2HD2  LEU  53          1HD2      LEU  53   2.529  -0.992 -10.538
  428   3HD2  LEU  53          2HD2      LEU  53   2.390  -1.906  -9.045
  429    H    ASP  54           H        ASP  54   5.120   3.747 -10.363
  430    HA   ASP  54           HA       ASP  54   2.996   5.604 -11.063
  431   1HB   ASP  54          1HB       ASP  54   4.570   6.144  -9.266
  432   2HB   ASP  54          2HB       ASP  54   5.907   6.071 -10.403
  433    H    LYS  55           H        LYS  55   2.928   4.366 -13.273
  434    HA   LYS  55           HA       LYS  55   4.809   4.770 -15.292
  435   1HB   LYS  55          1HB       LYS  55   1.786   4.550 -15.425
  436   2HB   LYS  55          2HB       LYS  55   2.807   4.593 -16.866
  437   1HG   LYS  55          1HG       LYS  55   3.008   2.500 -14.649
  438   2HG   LYS  55          2HG       LYS  55   2.226   2.313 -16.230
  439   1HD   LYS  55          1HD       LYS  55   4.558   2.987 -17.229
  440   2HD   LYS  55          2HD       LYS  55   5.182   2.592 -15.614
  441   1HE   LYS  55          1HE       LYS  55   3.698   0.716 -17.507
  442   2HE   LYS  55          2HE       LYS  55   5.413   0.672 -17.061
  443   1HZ   LYS  55          3HZ       LYS  55   4.680   0.323 -14.766
  444   2HZ   LYS  55          1HZ       LYS  55   3.132   0.177 -15.293
  445   3HZ   LYS  55          2HZ       LYS  55   4.271  -0.913 -15.776
  446    H    ASN  56           H        ASN  56   2.315   7.048 -14.224
  447    HA   ASN  56           HA       ASN  56   2.981   8.888 -16.410
  448   1HB   ASN  56          1HB       ASN  56   1.215  10.121 -15.892
  449   2HB   ASN  56          2HB       ASN  56   0.668   8.613 -15.167
  450   1HD2  ASN  56          1HD2      ASN  56   1.400   9.938 -11.782
  451   2HD2  ASN  56          2HD2      ASN  56   1.895   8.566 -12.745
  452    H    GLY  57           H        GLY  57   4.650   8.146 -13.590
  453   1HA   GLY  57          1HA       GLY  57   6.446   9.085 -12.614
  454   2HA   GLY  57          2HA       GLY  57   6.599  10.051 -14.083
  455    H    ASP  58           H        ASP  58   3.834  10.308 -11.745
  456    HA   ASP  58           HA       ASP  58   4.379  13.142 -11.510
  457   1HB   ASP  58          1HB       ASP  58   2.397  13.285 -10.309
  458   2HB   ASP  58          2HB       ASP  58   2.096  12.190 -11.643
  459    H    GLY  59           H        GLY  59   5.482  10.371  -9.764
  460   1HA   GLY  59          1HA       GLY  59   7.262  10.578  -8.221
  461   2HA   GLY  59          2HA       GLY  59   6.643  12.125  -7.638
  462    H    GLU  60           H        GLU  60   4.017  10.038  -8.043
  463    HA   GLU  60           HA       GLU  60   4.184   8.366  -5.677
  464   1HB   GLU  60          1HB       GLU  60   2.134  10.573  -5.964
  465   2HB   GLU  60          2HB       GLU  60   2.099   9.258  -4.760
  466   1HG   GLU  60          1HG       GLU  60   4.251  10.178  -3.827
  467   2HG   GLU  60          2HG       GLU  60   4.015  11.597  -4.866
  468    H    VAL  61           H        VAL  61   1.989   7.106  -5.665
  469    HA   VAL  61           HA       VAL  61   1.420   6.455  -8.534
  470    HB   VAL  61           HB       VAL  61   1.018   4.637  -6.170
  471   1HG1  VAL  61          3HG1      VAL  61  -0.196   4.170  -8.349
  472   2HG1  VAL  61          1HG1      VAL  61   1.395   4.096  -9.146
  473   3HG1  VAL  61          2HG1      VAL  61   0.962   2.920  -7.880
  474   1HG2  VAL  61          3HG2      VAL  61   3.413   4.812  -8.051
  475   2HG2  VAL  61          1HG2      VAL  61   3.454   5.176  -6.313
  476   3HG2  VAL  61          2HG2      VAL  61   3.131   3.530  -6.881
  477    H    SER  62           H        SER  62  -0.426   7.427  -9.202
  478    HA   SER  62           HA       SER  62  -2.770   7.766  -7.448
  479   1HB   SER  62          1HB       SER  62  -2.165   8.415 -10.351
  480   2HB   SER  62          2HB       SER  62  -3.822   8.419  -9.728
  481    HG   SER  62           HG       SER  62  -1.688  10.040  -8.806
  482    H    PHE  63           H        PHE  63  -4.820   6.777  -7.771
  483    HA   PHE  63           HA       PHE  63  -4.783   4.058  -7.733
  484   1HB   PHE  63          1HB       PHE  63  -6.613   5.398  -6.895
  485   2HB   PHE  63          2HB       PHE  63  -7.157   5.733  -8.540
  486    HD1  PHE  63           HD1      PHE  63  -6.416   2.883  -6.173
  487    HD2  PHE  63           HD2      PHE  63  -8.698   4.212  -9.591
  488    HE1  PHE  63           HE1      PHE  63  -7.643   0.750  -6.187
  489    HE2  PHE  63           HE2      PHE  63  -9.972   2.089  -9.548
  490    HZ   PHE  63           HZ       PHE  63  -9.471   0.362  -7.823
  491    H    GLU  64           H        GLU  64  -5.474   6.038 -10.610
  492    HA   GLU  64           HA       GLU  64  -6.255   3.966 -12.334
  493   1HB   GLU  64          1HB       GLU  64  -5.773   5.551 -14.153
  494   2HB   GLU  64          2HB       GLU  64  -6.650   6.314 -12.823
  495   1HG   GLU  64          1HG       GLU  64  -4.444   7.267 -11.993
  496   2HG   GLU  64          2HG       GLU  64  -3.667   6.590 -13.435
  497    H    GLU  65           H        GLU  65  -2.981   4.994 -11.438
  498    HA   GLU  65           HA       GLU  65  -1.799   3.210 -13.518
  499   1HB   GLU  65          1HB       GLU  65   0.353   4.221 -12.833
  500   2HB   GLU  65          2HB       GLU  65  -0.804   5.315 -13.599
  501   1HG   GLU  65          1HG       GLU  65  -1.444   6.245 -11.413
  502   2HG   GLU  65          2HG       GLU  65  -0.321   5.129 -10.601
  503    H    PHE  66           H        PHE  66  -2.232   3.550 -10.010
  504    HA   PHE  66           HA       PHE  66  -0.781   1.342  -9.058
  505   1HB   PHE  66          1HB       PHE  66  -1.889   2.692  -7.482
  506   2HB   PHE  66          2HB       PHE  66  -3.365   2.652  -8.392
  507    HD1  PHE  66           HD1      PHE  66  -1.281   0.492  -6.163
  508    HD2  PHE  66           HD2      PHE  66  -5.084   1.156  -8.047
  509    HE1  PHE  66           HE1      PHE  66  -2.306  -1.287  -4.752
  510    HE2  PHE  66           HE2      PHE  66  -6.024  -0.830  -6.915
  511    HZ   PHE  66           HZ       PHE  66  -4.674  -1.939  -5.099
  512    H    GLN  67           H        GLN  67  -3.703   1.350 -11.119
  513    HA   GLN  67           HA       GLN  67  -4.429  -1.339 -10.904
  514   1HB   GLN  67          1HB       GLN  67  -4.295   0.251 -13.495
  515   2HB   GLN  67          2HB       GLN  67  -5.207  -1.236 -13.212
  516   1HG   GLN  67          1HG       GLN  67  -5.747   1.505 -12.059
  517   2HG   GLN  67          2HG       GLN  67  -6.788   0.516 -13.076
  518   1HE2  GLN  67          1HE2      GLN  67  -6.984   0.228  -9.044
  519   2HE2  GLN  67          2HE2      GLN  67  -6.133   1.489  -9.918
  520    H    VAL  68           H        VAL  68  -1.438  -0.131 -12.307
  521    HA   VAL  68           HA       VAL  68  -0.629  -2.414 -13.761
  522    HB   VAL  68           HB       VAL  68   0.927  -0.377 -12.145
  523   1HG1  VAL  68          1HG1      VAL  68   2.017  -2.396 -14.157
  524   2HG1  VAL  68          2HG1      VAL  68   2.908  -1.055 -13.402
  525   3HG1  VAL  68          3HG1      VAL  68   2.348  -2.399 -12.413
  526   1HG2  VAL  68          1HG2      VAL  68  -0.389   0.429 -14.183
  527   2HG2  VAL  68          2HG2      VAL  68   1.357   0.657 -14.294
  528   3HG2  VAL  68          3HG2      VAL  68   0.578  -0.681 -15.165
  529    H    LEU  69           H        LEU  69  -0.817  -1.873 -10.256
  530    HA   LEU  69           HA       LEU  69   0.755  -4.173  -9.497
  531   1HB   LEU  69          1HB       LEU  69   0.313  -2.206  -8.049
  532   2HB   LEU  69          2HB       LEU  69  -1.399  -2.604  -7.983
  533    HG   LEU  69           HG       LEU  69   0.511  -4.752  -7.157
  534   1HD1  LEU  69          1HD1      LEU  69  -0.048  -2.287  -5.457
  535   2HD1  LEU  69          2HD1      LEU  69   0.716  -3.782  -4.881
  536   3HD1  LEU  69          3HD1      LEU  69   1.529  -2.790  -6.102
  537   1HD2  LEU  69          3HD2      LEU  69  -2.118  -3.694  -5.996
  538   2HD2  LEU  69          1HD2      LEU  69  -1.958  -5.120  -7.035
  539   3HD2  LEU  69          2HD2      LEU  69  -1.242  -5.120  -5.419
  540    H    VAL  70           H        VAL  70  -2.698  -3.461 -10.062
  541    HA   VAL  70           HA       VAL  70  -3.694  -6.030  -9.264
  542    HB   VAL  70           HB       VAL  70  -4.961  -4.053 -11.219
  543   1HG1  VAL  70          1HG1      VAL  70  -6.123  -6.218  -9.413
  544   2HG1  VAL  70          2HG1      VAL  70  -7.068  -5.051 -10.365
  545   3HG1  VAL  70          3HG1      VAL  70  -6.055  -6.246 -11.185
  546   1HG2  VAL  70          3HG2      VAL  70  -4.949  -4.134  -8.178
  547   2HG2  VAL  70          1HG2      VAL  70  -4.423  -2.799  -9.194
  548   3HG2  VAL  70          2HG2      VAL  70  -6.136  -3.209  -9.133
  549    H    LYS  71           H        LYS  71  -2.664  -4.638 -12.396
  550    HA   LYS  71           HA       LYS  71  -3.062  -6.932 -14.013
  551   1HB   LYS  71          1HB       LYS  71  -2.535  -4.901 -15.091
  552   2HB   LYS  71          2HB       LYS  71  -1.077  -4.657 -14.122
  553   1HG   LYS  71          1HG       LYS  71   0.099  -6.428 -15.202
  554   2HG   LYS  71          2HG       LYS  71  -1.368  -7.001 -16.018
  555   1HD   LYS  71          1HD       LYS  71   0.073  -5.803 -17.582
  556   2HD   LYS  71          2HD       LYS  71  -1.467  -4.952 -17.376
  557   1HE   LYS  71          1HE       LYS  71  -0.428  -3.298 -15.914
  558   2HE   LYS  71          2HE       LYS  71   1.095  -4.211 -15.881
  559   1HZ   LYS  71          1HZ       LYS  71  -0.115  -2.951 -18.243
  560   2HZ   LYS  71          2HZ       LYS  71   1.171  -2.374 -17.390
  561   3HZ   LYS  71          3HZ       LYS  71   1.305  -3.789 -18.224
  562    H    LYS  72           H        LYS  72  -0.173  -5.986 -12.156
  563    HA   LYS  72           HA       LYS  72   1.286  -8.356 -12.543
  564   1HB   LYS  72          1HB       LYS  72   1.367  -6.179 -10.506
  565   2HB   LYS  72          2HB       LYS  72   2.032  -7.726  -9.994
  566   1HG   LYS  72          1HG       LYS  72   3.820  -6.446 -10.897
  567   2HG   LYS  72          2HG       LYS  72   3.490  -7.799 -11.984
  568   1HD   LYS  72          1HD       LYS  72   2.136  -6.177 -13.427
  569   2HD   LYS  72          2HD       LYS  72   2.686  -4.875 -12.353
  570   1HE   LYS  72          1HE       LYS  72   5.054  -5.433 -12.904
  571   2HE   LYS  72          2HE       LYS  72   4.491  -6.736 -13.972
  572   1HZ   LYS  72          3HZ       LYS  72   3.342  -5.045 -15.259
  573   2HZ   LYS  72          1HZ       LYS  72   3.999  -3.863 -14.306
  574   3HZ   LYS  72          2HZ       LYS  72   4.974  -4.816 -15.221
  575    H    ILE  73           H        ILE  73  -1.179  -7.807 -10.028
  576    HA   ILE  73           HA       ILE  73  -0.984 -10.422  -8.860
  577    HB   ILE  73           HB       ILE  73  -3.464  -8.676  -9.149
  578   1HG1  ILE  73          1HG1      ILE  73  -1.580  -9.108  -6.786
  579   2HG1  ILE  73          2HG1      ILE  73  -1.604  -7.682  -7.830
  580   1HG2  ILE  73          3HG2      ILE  73  -4.082 -11.059  -8.794
  581   2HG2  ILE  73          1HG2      ILE  73  -3.008 -11.117  -7.383
  582   3HG2  ILE  73          2HG2      ILE  73  -4.457 -10.090  -7.392
  583   1HD1  ILE  73          3HD1      ILE  73  -3.992  -7.267  -7.168
  584   2HD1  ILE  73          1HD1      ILE  73  -3.818  -8.558  -5.956
  585   3HD1  ILE  73          2HD1      ILE  73  -2.803  -7.117  -5.861
  586    H    SER  74           H        SER  74  -2.962  -9.220 -11.532
  587    HA   SER  74           HA       SER  74  -3.732 -10.133 -13.408
  588   1HB   SER  74          1HB       SER  74  -1.384 -11.116 -13.447
  589   2HB   SER  74          2HB       SER  74  -2.088 -12.640 -12.894
  590    HG   SER  74           HG       SER  74  -2.739 -11.202 -15.255
  591    H    GLN  75           H        GLN  75  -3.558 -12.839 -11.109
  592    HA   GLN  75           HA       GLN  75  -5.963 -14.124 -11.968
  593   1HB   GLN  75          1HB       GLN  75  -4.054 -15.099 -10.618
  594   2HB   GLN  75          2HB       GLN  75  -4.679 -14.258  -9.196
  595   1HG   GLN  75          1HG       GLN  75  -6.218 -16.298 -10.880
  596   2HG   GLN  75          2HG       GLN  75  -5.343 -16.685  -9.398
  597   1HE2  GLN  75          1HE2      GLN  75  -7.766 -15.170  -7.218
  598   2HE2  GLN  75          2HE2      GLN  75  -6.066 -15.582  -7.348
   
  No H/Q in entry =         598
  Start of MODEL           7
 Raw file had  599 H/Q atoms
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  -9.704 -10.861  -4.862
    2   2H    LYS   1          2H        LYS   1  -8.309  -9.934  -5.014
    3   3H    LYS   1          3H        LYS   1  -8.693 -10.642  -3.537
    4    HA   LYS   1           HA       LYS   1 -10.647  -9.304  -3.350
    5   1HB   LYS   1          1HB       LYS   1  -8.162  -7.688  -4.021
    6   2HB   LYS   1          2HB       LYS   1  -9.474  -7.159  -2.966
    7   1HG   LYS   1          1HG       LYS   1  -7.472  -9.393  -2.431
    8   2HG   LYS   1          2HG       LYS   1  -7.524  -7.798  -1.672
    9   1HD   LYS   1          1HD       LYS   1  -9.834  -8.408  -0.751
   10   2HD   LYS   1          2HD       LYS   1  -9.578 -10.038  -1.404
   11   1HE   LYS   1          1HE       LYS   1  -8.960 -10.125   0.903
   12   2HE   LYS   1          2HE       LYS   1  -7.455 -10.194  -0.031
   13   1HZ   LYS   1          1HZ       LYS   1  -8.576  -7.792   1.249
   14   2HZ   LYS   1          2HZ       LYS   1  -7.326  -8.695   1.829
   15   3HZ   LYS   1          3HZ       LYS   1  -7.149  -7.862   0.426
   16    H    SER   2           H        SER   2 -12.074  -7.717  -4.326
   17    HA   SER   2           HA       SER   2 -12.002  -7.645  -7.239
   18   1HB   SER   2          1HB       SER   2 -14.156  -6.395  -6.878
   19   2HB   SER   2          2HB       SER   2 -14.109  -7.978  -6.092
   20    HG   SER   2           HG       SER   2 -14.863  -6.390  -4.648
   21    HA   PRO   3           HA       PRO   3 -10.045  -3.634  -7.769
   22   1HB   PRO   3          1HB       PRO   3 -12.679  -2.856  -9.064
   23   2HB   PRO   3          2HB       PRO   3 -11.019  -2.444  -9.589
   24   1HG   PRO   3          1HG       PRO   3 -12.307  -4.503 -10.780
   25   2HG   PRO   3          2HG       PRO   3 -10.609  -4.723 -10.257
   26   1HD   PRO   3          1HD       PRO   3 -13.125  -5.648  -8.866
   27   2HD   PRO   3          2HD       PRO   3 -11.581  -6.514  -9.121
   28    H    GLU   4           H        GLU   4 -13.491  -3.567  -6.740
   29    HA   GLU   4           HA       GLU   4 -13.515  -1.096  -5.405
   30   1HB   GLU   4          1HB       GLU   4 -15.088  -3.592  -4.739
   31   2HB   GLU   4          2HB       GLU   4 -15.418  -1.934  -4.215
   32   1HG   GLU   4          1HG       GLU   4 -16.644  -1.733  -6.062
   33   2HG   GLU   4          2HG       GLU   4 -15.153  -1.546  -6.948
   34    H    GLU   5           H        GLU   5 -12.670  -4.330  -4.185
   35    HA   GLU   5           HA       GLU   5 -12.259  -3.460  -1.436
   36   1HB   GLU   5          1HB       GLU   5 -11.428  -5.943  -2.983
   37   2HB   GLU   5          2HB       GLU   5 -11.032  -5.698  -1.276
   38   1HG   GLU   5          1HG       GLU   5 -13.881  -5.676  -2.376
   39   2HG   GLU   5          2HG       GLU   5 -13.093  -7.093  -1.668
   40    H    LEU   6           H        LEU   6 -10.217  -3.977  -4.288
   41    HA   LEU   6           HA       LEU   6  -7.741  -3.270  -3.030
   42   1HB   LEU   6          1HB       LEU   6  -8.673  -3.091  -5.926
   43   2HB   LEU   6          2HB       LEU   6  -7.081  -2.701  -5.367
   44    HG   LEU   6           HG       LEU   6  -8.458  -5.423  -5.357
   45   1HD1  LEU   6          3HD1      LEU   6  -7.187  -4.644  -7.369
   46   2HD1  LEU   6          1HD1      LEU   6  -5.733  -4.503  -6.335
   47   3HD1  LEU   6          2HD1      LEU   6  -6.472  -6.092  -6.626
   48   1HD2  LEU   6          3HD2      LEU   6  -5.928  -4.661  -3.833
   49   2HD2  LEU   6          1HD2      LEU   6  -7.404  -5.420  -3.173
   50   3HD2  LEU   6          2HD2      LEU   6  -6.370  -6.323  -4.278
   51    H    LYS   7           H        LYS   7 -10.256  -1.228  -4.569
   52    HA   LYS   7           HA       LYS   7  -8.775   1.157  -4.189
   53   1HB   LYS   7          1HB       LYS   7 -10.903   0.830  -5.558
   54   2HB   LYS   7          2HB       LYS   7 -11.792   0.956  -4.051
   55   1HG   LYS   7          1HG       LYS   7 -10.721   3.175  -3.602
   56   2HG   LYS   7          2HG       LYS   7  -9.734   3.003  -5.061
   57   1HD   LYS   7          1HD       LYS   7 -11.774   3.084  -6.457
   58   2HD   LYS   7          2HD       LYS   7 -12.756   3.318  -4.988
   59   1HE   LYS   7          1HE       LYS   7 -11.432   5.367  -4.442
   60   2HE   LYS   7          2HE       LYS   7 -10.446   5.125  -5.890
   61   1HZ   LYS   7          3HZ       LYS   7 -12.422   5.407  -7.208
   62   2HZ   LYS   7          1HZ       LYS   7 -13.340   5.631  -5.856
   63   3HZ   LYS   7          2HZ       LYS   7 -12.167   6.721  -6.247
   64    H    GLY   8           H        GLY   8 -11.061  -0.569  -2.114
   65   1HA   GLY   8          1HA       GLY   8 -11.198   1.215   0.086
   66   2HA   GLY   8          2HA       GLY   8 -11.313  -0.554   0.209
   67    H    ILE   9           H        ILE   9  -8.972  -1.493  -0.466
   68    HA   ILE   9           HA       ILE   9  -7.113  -1.154   1.639
   69    HB   ILE   9           HB       ILE   9  -6.972  -2.301  -1.124
   70   1HG1  ILE   9          1HG1      ILE   9  -8.444  -3.234   0.670
   71   2HG1  ILE   9          2HG1      ILE   9  -7.286  -4.370  -0.047
   72   1HG2  ILE   9          1HG2      ILE   9  -4.755  -2.378   0.927
   73   2HG2  ILE   9          2HG2      ILE   9  -4.892  -3.443  -0.494
   74   3HG2  ILE   9          3HG2      ILE   9  -4.696  -1.705  -0.708
   75   1HD1  ILE   9          3HD1      ILE   9  -5.857  -4.048   2.038
   76   2HD1  ILE   9          1HD1      ILE   9  -7.161  -3.057   2.715
   77   3HD1  ILE   9          2HD1      ILE   9  -7.447  -4.756   2.331
   78    H    PHE  10           H        PHE  10  -6.897   0.033  -1.756
   79    HA   PHE  10           HA       PHE  10  -4.552   1.478  -1.576
   80   1HB   PHE  10          1HB       PHE  10  -5.807   1.051  -3.650
   81   2HB   PHE  10          2HB       PHE  10  -7.070   2.151  -3.130
   82    HD1  PHE  10           HD1      PHE  10  -6.612   4.618  -2.854
   83    HD2  PHE  10           HD2      PHE  10  -3.834   1.897  -4.731
   84    HE1  PHE  10           HE1      PHE  10  -5.099   6.457  -3.371
   85    HE2  PHE  10           HE2      PHE  10  -2.614   3.847  -5.698
   86    HZ   PHE  10           HZ       PHE  10  -3.231   6.132  -5.022
   87    H    GLU  11           H        GLU  11  -7.862   2.627  -0.772
   88    HA   GLU  11           HA       GLU  11  -7.065   5.286  -0.032
   89   1HB   GLU  11          1HB       GLU  11  -9.528   3.620   0.600
   90   2HB   GLU  11          2HB       GLU  11  -9.336   5.314   1.080
   91   1HG   GLU  11          1HG       GLU  11  -9.118   6.035  -1.227
   92   2HG   GLU  11          2HG       GLU  11  -9.114   4.374  -1.818
   93    H    LYS  12           H        LYS  12  -7.761   2.351   1.914
   94    HA   LYS  12           HA       LYS  12  -7.383   3.249   4.503
   95   1HB   LYS  12          1HB       LYS  12  -8.008   1.003   4.223
   96   2HB   LYS  12          2HB       LYS  12  -6.663   0.630   3.142
   97   1HG   LYS  12          1HG       LYS  12  -5.043   0.616   4.811
   98   2HG   LYS  12          2HG       LYS  12  -6.165   1.314   6.023
   99   1HD   LYS  12          1HD       LYS  12  -7.572  -0.764   5.831
  100   2HD   LYS  12          2HD       LYS  12  -6.423  -1.405   4.646
  101   1HE   LYS  12          1HE       LYS  12  -5.957  -2.397   6.811
  102   2HE   LYS  12          2HE       LYS  12  -4.616  -1.332   6.371
  103   1HZ   LYS  12          1HZ       LYS  12  -6.814  -0.641   8.193
  104   2HZ   LYS  12          2HZ       LYS  12  -5.287  -1.064   8.643
  105   3HZ   LYS  12          3HZ       LYS  12  -5.540   0.332   7.808
  106    H    TYR  13           H        TYR  13  -4.817   2.218   2.227
  107    HA   TYR  13           HA       TYR  13  -2.728   3.016   4.139
  108   1HB   TYR  13          1HB       TYR  13  -2.625   1.949   1.328
  109   2HB   TYR  13          2HB       TYR  13  -1.206   2.373   2.288
  110    HD1  TYR  13           HD1      TYR  13  -0.865   1.296   4.542
  111    HD2  TYR  13           HD2      TYR  13  -3.947  -0.081   1.939
  112    HE1  TYR  13           HE1      TYR  13  -0.985  -0.871   5.793
  113    HE2  TYR  13           HE2      TYR  13  -4.006  -2.258   3.042
  114    HH   TYR  13           HH       TYR  13  -1.892  -3.092   5.747
  115    H    ALA  14           H        ALA  14  -3.873   4.238   1.009
  116    HA   ALA  14           HA       ALA  14  -2.064   6.340   0.661
  117   1HB   ALA  14          3HB       ALA  14  -3.534   5.382  -1.096
  118   2HB   ALA  14          1HB       ALA  14  -4.902   6.253  -0.369
  119   3HB   ALA  14          2HB       ALA  14  -3.515   7.130  -1.053
  120    H    ALA  15           H        ALA  15  -4.932   6.335   2.691
  121    HA   ALA  15           HA       ALA  15  -4.889   9.246   2.965
  122   1HB   ALA  15          3HB       ALA  15  -6.973   7.893   3.189
  123   2HB   ALA  15          1HB       ALA  15  -6.286   7.100   4.629
  124   3HB   ALA  15          2HB       ALA  15  -6.638   8.840   4.655
  125    H    LYS  16           H        LYS  16  -2.886   6.773   4.395
  126    HA   LYS  16           HA       LYS  16  -2.854   7.784   7.072
  127   1HB   LYS  16          1HB       LYS  16  -0.770   6.192   5.515
  128   2HB   LYS  16          2HB       LYS  16  -0.675   6.550   7.246
  129   1HG   LYS  16          1HG       LYS  16  -2.824   5.401   7.635
  130   2HG   LYS  16          2HG       LYS  16  -2.955   5.026   5.909
  131   1HD   LYS  16          1HD       LYS  16  -0.860   3.720   6.009
  132   2HD   LYS  16          2HD       LYS  16  -0.677   4.120   7.729
  133   1HE   LYS  16          1HE       LYS  16  -2.851   2.982   8.212
  134   2HE   LYS  16          2HE       LYS  16  -2.995   2.545   6.500
  135   1HZ   LYS  16          3HZ       LYS  16  -0.952   1.305   6.732
  136   2HZ   LYS  16          1HZ       LYS  16  -0.853   1.703   8.328
  137   3HZ   LYS  16          2HZ       LYS  16  -2.096   0.765   7.788
  138    H    GLU  17           H        GLU  17  -0.532   8.229   4.405
  139    HA   GLU  17           HA       GLU  17  -0.437  11.004   4.868
  140   1HB   GLU  17          1HB       GLU  17   1.757  11.456   5.070
  141   2HB   GLU  17          2HB       GLU  17   1.086  10.743   6.552
  142   1HG   GLU  17          1HG       GLU  17   2.959   9.355   4.579
  143   2HG   GLU  17          2HG       GLU  17   3.364   9.890   6.208
  144    H    GLY  18           H        GLY  18  -0.883  11.487   3.055
  145   1HA   GLY  18          1HA       GLY  18   0.413  11.625   0.620
  146   2HA   GLY  18          2HA       GLY  18  -0.358  10.013   0.622
  147    H    ASP  19           H        ASP  19  -2.001  10.639  -0.933
  148    HA   ASP  19           HA       ASP  19  -4.157  12.361   0.227
  149   1HB   ASP  19          1HB       ASP  19  -3.147  13.310  -1.856
  150   2HB   ASP  19          2HB       ASP  19  -3.504  11.804  -2.700
  151    HA   PRO  20           HA       PRO  20  -6.220   8.397   0.359
  152   1HB   PRO  20          1HB       PRO  20  -8.795   9.109  -0.608
  153   2HB   PRO  20          2HB       PRO  20  -8.230   9.098   1.089
  154   1HG   PRO  20          1HG       PRO  20  -8.333  11.402  -0.860
  155   2HG   PRO  20          2HG       PRO  20  -8.755  11.409   0.879
  156   1HD   PRO  20          1HD       PRO  20  -6.408  12.391   0.069
  157   2HD   PRO  20          2HD       PRO  20  -6.437  11.336   1.503
  158    H    ASN  21           H        ASN  21  -6.169  10.272  -2.662
  159    HA   ASN  21           HA       ASN  21  -6.923   7.959  -4.340
  160   1HB   ASN  21          1HB       ASN  21  -6.280  10.854  -5.005
  161   2HB   ASN  21          2HB       ASN  21  -6.932   9.640  -6.096
  162   1HD2  ASN  21          1HD2      ASN  21  -9.442  11.590  -3.525
  163   2HD2  ASN  21          2HD2      ASN  21  -7.693  11.806  -3.420
  164    H    GLN  22           H        GLN  22  -4.076   9.059  -2.920
  165    HA   GLN  22           HA       GLN  22  -2.363   8.247  -5.180
  166   1HB   GLN  22          1HB       GLN  22  -3.022  10.835  -4.888
  167   2HB   GLN  22          2HB       GLN  22  -1.770  10.761  -3.668
  168   1HG   GLN  22          1HG       GLN  22  -0.542  11.326  -5.545
  169   2HG   GLN  22          2HG       GLN  22  -0.407   9.532  -5.582
  170   1HE2  GLN  22          1HE2      GLN  22  -1.138  10.161  -9.011
  171   2HE2  GLN  22          2HE2      GLN  22   0.229  10.133  -7.914
  172    H    LEU  23           H        LEU  23  -0.838   6.765  -4.379
  173    HA   LEU  23           HA       LEU  23  -0.422   6.538  -1.474
  174   1HB   LEU  23          1HB       LEU  23   0.383   4.778  -3.799
  175   2HB   LEU  23          2HB       LEU  23   0.871   4.535  -2.152
  176    HG   LEU  23           HG       LEU  23  -2.064   4.666  -2.768
  177   1HD1  LEU  23          3HD1      LEU  23  -0.998   2.932  -4.266
  178   2HD1  LEU  23          1HD1      LEU  23  -0.306   2.177  -2.820
  179   3HD1  LEU  23          2HD1      LEU  23  -2.054   2.220  -3.018
  180   1HD2  LEU  23          1HD2      LEU  23  -1.214   4.689  -0.395
  181   2HD2  LEU  23          2HD2      LEU  23  -2.219   3.274  -0.760
  182   3HD2  LEU  23          3HD2      LEU  23  -0.452   3.119  -0.673
  183    H    SER  24           H        SER  24   1.404   7.248  -0.471
  184    HA   SER  24           HA       SER  24   3.822   8.025  -1.946
  185   1HB   SER  24          1HB       SER  24   4.647   8.631   0.278
  186   2HB   SER  24          2HB       SER  24   3.023   9.291   0.043
  187    HG   SER  24           HG       SER  24   2.582   8.295   1.822
  188    H    LYS  25           H        LYS  25   5.949   7.031  -1.154
  189    HA   LYS  25           HA       LYS  25   6.024   4.296  -1.761
  190   1HB   LYS  25          1HB       LYS  25   7.994   6.052  -0.204
  191   2HB   LYS  25          2HB       LYS  25   8.332   4.377  -0.667
  192   1HG   LYS  25          1HG       LYS  25   8.033   4.927  -3.036
  193   2HG   LYS  25          2HG       LYS  25   7.737   6.629  -2.628
  194   1HD   LYS  25          1HD       LYS  25  10.013   6.775  -1.646
  195   2HD   LYS  25          2HD       LYS  25  10.289   5.059  -2.017
  196   1HE   LYS  25          1HE       LYS  25   9.974   5.529  -4.441
  197   2HE   LYS  25          2HE       LYS  25   9.708   7.242  -4.074
  198   1HZ   LYS  25          3HZ       LYS  25  11.933   7.306  -3.168
  199   2HZ   LYS  25          1HZ       LYS  25  12.176   5.723  -3.571
  200   3HZ   LYS  25          2HZ       LYS  25  11.935   6.845  -4.750
  201    H    GLU  26           H        GLU  26   6.035   5.838   1.474
  202    HA   GLU  26           HA       GLU  26   6.343   3.381   2.887
  203   1HB   GLU  26          1HB       GLU  26   6.775   5.621   3.898
  204   2HB   GLU  26          2HB       GLU  26   5.059   6.042   3.736
  205   1HG   GLU  26          1HG       GLU  26   4.435   4.310   5.355
  206   2HG   GLU  26          2HG       GLU  26   6.110   3.735   5.424
  207    H    GLU  27           H        GLU  27   3.451   5.150   1.871
  208    HA   GLU  27           HA       GLU  27   1.580   3.387   3.123
  209   1HB   GLU  27          1HB       GLU  27   1.319   5.087   0.620
  210   2HB   GLU  27          2HB       GLU  27  -0.021   4.294   1.478
  211   1HG   GLU  27          1HG       GLU  27   0.409   5.518   3.510
  212   2HG   GLU  27          2HG       GLU  27   1.850   6.275   2.851
  213    H    LEU  28           H        LEU  28   2.942   3.373  -0.277
  214    HA   LEU  28           HA       LEU  28   1.870   0.835  -0.927
  215   1HB   LEU  28          1HB       LEU  28   4.354   2.339  -1.788
  216   2HB   LEU  28          2HB       LEU  28   4.097   0.680  -2.361
  217    HG   LEU  28           HG       LEU  28   1.845   2.614  -2.409
  218   1HD1  LEU  28          3HD1      LEU  28   3.644   3.843  -3.459
  219   2HD1  LEU  28          1HD1      LEU  28   3.941   2.473  -4.580
  220   3HD1  LEU  28          2HD1      LEU  28   2.404   3.381  -4.637
  221   1HD2  LEU  28          3HD2      LEU  28   2.671   0.305  -4.258
  222   2HD2  LEU  28          1HD2      LEU  28   1.392   0.224  -3.035
  223   3HD2  LEU  28          2HD2      LEU  28   1.194   1.259  -4.458
  224    H    LYS  29           H        LYS  29   4.809   1.521   0.952
  225    HA   LYS  29           HA       LYS  29   5.651  -1.210   0.873
  226   1HB   LYS  29          1HB       LYS  29   6.946   0.887   1.603
  227   2HB   LYS  29          2HB       LYS  29   6.062   0.834   3.105
  228   1HG   LYS  29          1HG       LYS  29   6.975  -1.513   3.482
  229   2HG   LYS  29          2HG       LYS  29   7.941  -1.323   2.009
  230   1HD   LYS  29          1HD       LYS  29   9.090   0.639   3.021
  231   2HD   LYS  29          2HD       LYS  29   8.083   0.476   4.477
  232   1HE   LYS  29          1HE       LYS  29   9.008  -1.790   4.881
  233   2HE   LYS  29          2HE       LYS  29  10.023  -1.642   3.432
  234   1HZ   LYS  29          1HZ       LYS  29  10.161   0.078   5.809
  235   2HZ   LYS  29          2HZ       LYS  29  11.222  -1.120   5.417
  236   3HZ   LYS  29          3HZ       LYS  29  11.107   0.220   4.466
  237    H    LEU  30           H        LEU  30   3.791   0.590   3.294
  238    HA   LEU  30           HA       LEU  30   3.218  -1.649   4.968
  239   1HB   LEU  30          1HB       LEU  30   1.622   0.899   4.480
  240   2HB   LEU  30          2HB       LEU  30   1.295  -0.227   5.805
  241    HG   LEU  30           HG       LEU  30   3.967   1.206   5.466
  242   1HD1  LEU  30          3HD1      LEU  30   2.151   2.843   5.783
  243   2HD1  LEU  30          1HD1      LEU  30   1.578   1.943   7.205
  244   3HD1  LEU  30          2HD1      LEU  30   3.170   2.730   7.226
  245   1HD2  LEU  30          3HD2      LEU  30   2.716  -0.299   7.806
  246   2HD2  LEU  30          1HD2      LEU  30   4.119  -0.825   6.850
  247   3HD2  LEU  30          2HD2      LEU  30   4.236   0.616   7.862
  248    H    LEU  31           H        LEU  31   1.374  -0.335   2.257
  249    HA   LEU  31           HA       LEU  31  -0.802  -2.134   2.282
  250   1HB   LEU  31          1HB       LEU  31  -0.557  -0.084   0.908
  251   2HB   LEU  31          2HB       LEU  31   0.603  -0.903  -0.132
  252    HG   LEU  31           HG       LEU  31  -2.222  -1.927   0.295
  253   1HD1  LEU  31          1HD1      LEU  31  -1.198   0.039  -1.802
  254   2HD1  LEU  31          2HD1      LEU  31  -2.807  -0.706  -1.813
  255   3HD1  LEU  31          3HD1      LEU  31  -2.360   0.399  -0.507
  256   1HD2  LEU  31          3HD2      LEU  31  -0.155  -2.354  -1.918
  257   2HD2  LEU  31          1HD2      LEU  31  -0.815  -3.588  -0.821
  258   3HD2  LEU  31          2HD2      LEU  31  -1.853  -2.851  -2.032
  259    H    LEU  32           H        LEU  32   2.285  -2.350   0.560
  260    HA   LEU  32           HA       LEU  32   1.891  -4.920  -0.583
  261   1HB   LEU  32          1HB       LEU  32   4.406  -3.399   0.182
  262   2HB   LEU  32          2HB       LEU  32   4.460  -4.951  -0.652
  263    HG   LEU  32           HG       LEU  32   2.911  -2.611  -1.818
  264   1HD1  LEU  32          3HD1      LEU  32   5.268  -1.895  -1.463
  265   2HD1  LEU  32          1HD1      LEU  32   5.836  -3.360  -2.290
  266   3HD1  LEU  32          2HD1      LEU  32   4.914  -2.129  -3.181
  267   1HD2  LEU  32          3HD2      LEU  32   4.157  -5.112  -3.012
  268   2HD2  LEU  32          1HD2      LEU  32   2.416  -4.808  -2.792
  269   3HD2  LEU  32          2HD2      LEU  32   3.350  -3.821  -3.924
  270    H    GLN  33           H        GLN  33   3.569  -4.030   2.494
  271    HA   GLN  33           HA       GLN  33   4.207  -6.610   3.380
  272   1HB   GLN  33          1HB       GLN  33   3.305  -4.132   4.916
  273   2HB   GLN  33          2HB       GLN  33   3.791  -5.619   5.727
  274   1HG   GLN  33          1HG       GLN  33   6.039  -5.461   4.913
  275   2HG   GLN  33          2HG       GLN  33   5.627  -4.132   3.820
  276   1HE2  GLN  33          1HE2      GLN  33   5.733  -3.315   7.880
  277   2HE2  GLN  33          2HE2      GLN  33   5.194  -4.897   7.346
  278    H    THR  34           H        THR  34   1.192  -4.830   3.961
  279    HA   THR  34           HA       THR  34   0.133  -6.968   5.567
  280    HB   THR  34           HB       THR  34  -1.544  -4.844   4.199
  281    HG1  THR  34           HG1      THR  34   0.247  -3.843   5.247
  282   1HG2  THR  34          1HG2      THR  34  -1.745  -6.299   6.884
  283   2HG2  THR  34          2HG2      THR  34  -2.887  -5.078   6.309
  284   3HG2  THR  34          3HG2      THR  34  -2.753  -6.620   5.459
  285    H    GLU  35           H        GLU  35  -0.484  -5.952   2.179
  286    HA   GLU  35           HA       GLU  35  -2.494  -8.096   1.880
  287   1HB   GLU  35          1HB       GLU  35  -1.862  -5.473   0.493
  288   2HB   GLU  35          2HB       GLU  35  -2.866  -6.700  -0.294
  289   1HG   GLU  35          1HG       GLU  35  -3.415  -5.682   2.531
  290   2HG   GLU  35          2HG       GLU  35  -3.968  -4.834   1.089
  291    H    PHE  36           H        PHE  36   0.686  -7.191   0.592
  292    HA   PHE  36           HA       PHE  36   0.611  -9.590  -1.184
  293   1HB   PHE  36          1HB       PHE  36   1.373  -6.838  -2.168
  294   2HB   PHE  36          2HB       PHE  36   1.250  -8.329  -3.093
  295    HD1  PHE  36           HD1      PHE  36  -1.270  -9.494  -2.712
  296    HD2  PHE  36           HD2      PHE  36  -0.314  -5.287  -2.620
  297    HE1  PHE  36           HE1      PHE  36  -3.650  -8.939  -3.125
  298    HE2  PHE  36           HE2      PHE  36  -2.678  -4.762  -3.275
  299    HZ   PHE  36           HZ       PHE  36  -4.346  -6.577  -3.371
  300    HA   PRO  37           HA       PRO  37   4.635  -8.813   1.070
  301   1HB   PRO  37          1HB       PRO  37   4.992 -11.364   2.060
  302   2HB   PRO  37          2HB       PRO  37   4.092 -10.063   2.890
  303   1HG   PRO  37          1HG       PRO  37   2.954 -12.276   1.169
  304   2HG   PRO  37          2HG       PRO  37   2.401 -11.745   2.787
  305   1HD   PRO  37          1HD       PRO  37   1.171 -10.895   0.541
  306   2HD   PRO  37          2HD       PRO  37   1.435  -9.749   1.881
  307    H    SER  38           H        SER  38   3.436 -11.153  -1.287
  308    HA   SER  38           HA       SER  38   5.853 -12.323  -2.253
  309   1HB   SER  38          1HB       SER  38   4.243 -12.380  -4.342
  310   2HB   SER  38          2HB       SER  38   3.786 -13.293  -2.888
  311    HG   SER  38           HG       SER  38   2.057 -11.962  -3.667
  312    H    LEU  39           H        LEU  39   3.873  -9.529  -3.164
  313    HA   LEU  39           HA       LEU  39   5.776  -8.528  -5.112
  314   1HB   LEU  39          1HB       LEU  39   3.276  -7.365  -3.882
  315   2HB   LEU  39          2HB       LEU  39   4.182  -6.584  -5.197
  316    HG   LEU  39           HG       LEU  39   2.863  -9.336  -5.320
  317   1HD1  LEU  39          3HD1      LEU  39   1.259  -7.406  -5.329
  318   2HD1  LEU  39          1HD1      LEU  39   2.121  -6.746  -6.738
  319   3HD1  LEU  39          2HD1      LEU  39   1.284  -8.300  -6.862
  320   1HD2  LEU  39          3HD2      LEU  39   4.370  -7.761  -7.453
  321   2HD2  LEU  39          1HD2      LEU  39   4.764  -9.384  -6.834
  322   3HD2  LEU  39          2HD2      LEU  39   3.311  -9.144  -7.796
  323    H    LEU  40           H        LEU  40   5.175  -7.893  -1.687
  324    HA   LEU  40           HA       LEU  40   6.851  -5.618  -1.439
  325   1HB   LEU  40          1HB       LEU  40   5.512  -6.641   0.477
  326   2HB   LEU  40          2HB       LEU  40   6.726  -7.919   0.535
  327    HG   LEU  40           HG       LEU  40   8.493  -6.059   0.872
  328   1HD1  LEU  40          1HD1      LEU  40   5.967  -4.510   1.566
  329   2HD1  LEU  40          2HD1      LEU  40   7.626  -4.005   1.943
  330   3HD1  LEU  40          3HD1      LEU  40   7.098  -4.113   0.258
  331   1HD2  LEU  40          3HD2      LEU  40   6.412  -6.706   2.969
  332   2HD2  LEU  40          1HD2      LEU  40   7.883  -7.621   2.602
  333   3HD2  LEU  40          2HD2      LEU  40   8.011  -5.996   3.298
  334    H    LYS  41           H        LYS  41   7.697  -9.087  -1.319
  335    HA   LYS  41           HA       LYS  41  10.538  -8.708  -1.260
  336   1HB   LYS  41          1HB       LYS  41   8.835 -11.007  -2.263
  337   2HB   LYS  41          2HB       LYS  41  10.586 -11.033  -2.123
  338   1HG   LYS  41          1HG       LYS  41   8.656 -10.570   0.199
  339   2HG   LYS  41          2HG       LYS  41   9.429 -12.094  -0.237
  340   1HD   LYS  41          1HD       LYS  41  11.680 -11.017   0.115
  341   2HD   LYS  41          2HD       LYS  41  10.842  -9.576   0.735
  342   1HE   LYS  41          1HE       LYS  41   9.753 -10.953   2.487
  343   2HE   LYS  41          2HE       LYS  41  10.610 -12.389   1.893
  344   1HZ   LYS  41          1HZ       LYS  41  11.873  -9.963   2.960
  345   2HZ   LYS  41          2HZ       LYS  41  11.715 -11.402   3.748
  346   3HZ   LYS  41          3HZ       LYS  41  12.667 -11.297   2.407
  347    H    GLY  42           H        GLY  42   8.398  -9.563  -3.954
  348   1HA   GLY  42          1HA       GLY  42   8.244  -8.839  -6.099
  349   2HA   GLY  42          2HA       GLY  42   9.217  -7.444  -5.629
  350    H    GLY  43           H        GLY  43  11.656  -8.176  -5.272
  351   1HA   GLY  43          1HA       GLY  43  13.479  -9.524  -6.352
  352   2HA   GLY  43          2HA       GLY  43  12.595  -9.322  -7.885
  353    H    SER  44           H        SER  44  12.078  -7.053  -8.567
  354    HA   SER  44           HA       SER  44  14.146  -5.131  -8.161
  355   1HB   SER  44          1HB       SER  44  11.288  -4.506  -8.969
  356   2HB   SER  44          2HB       SER  44  12.809  -3.752  -9.511
  357    HG   SER  44           HG       SER  44  11.943  -5.216 -11.082
  358    H    THR  45           H        THR  45  14.125  -3.279  -6.716
  359    HA   THR  45           HA       THR  45  12.776  -3.964  -4.223
  360    HB   THR  45           HB       THR  45  14.083  -2.245  -3.202
  361    HG1  THR  45           HG1      THR  45  14.971  -1.460  -5.768
  362   1HG2  THR  45          3HG2      THR  45  15.265  -4.355  -3.791
  363   2HG2  THR  45          1HG2      THR  45  15.833  -3.610  -5.298
  364   3HG2  THR  45          2HG2      THR  45  16.340  -2.945  -3.736
  365    H    LEU  46           H        LEU  46  11.794  -2.174  -2.893
  366    HA   LEU  46           HA       LEU  46   9.361  -1.367  -3.772
  367   1HB   LEU  46          1HB       LEU  46  10.080  -1.281  -1.425
  368   2HB   LEU  46          2HB       LEU  46  11.240   0.000  -1.806
  369    HG   LEU  46           HG       LEU  46   9.384   1.553  -2.337
  370   1HD1  LEU  46          1HD1      LEU  46   7.595  -0.742  -1.394
  371   2HD1  LEU  46          2HD1      LEU  46   7.060   0.931  -1.654
  372   3HD1  LEU  46          3HD1      LEU  46   7.614  -0.036  -3.026
  373   1HD2  LEU  46          1HD2      LEU  46  10.349   1.482  -0.082
  374   2HD2  LEU  46          2HD2      LEU  46   8.618   1.858  -0.019
  375   3HD2  LEU  46          3HD2      LEU  46   9.187   0.225   0.391
  376    H    ASP  47           H        ASP  47  12.326   0.573  -4.010
  377    HA   ASP  47           HA       ASP  47  11.173   2.897  -5.105
  378   1HB   ASP  47          1HB       ASP  47  13.948   1.687  -5.468
  379   2HB   ASP  47          2HB       ASP  47  13.485   3.320  -5.954
  380    H    GLU  48           H        GLU  48  12.497   0.051  -6.774
  381    HA   GLU  48           HA       GLU  48  11.976   1.056  -9.439
  382   1HB   GLU  48          1HB       GLU  48  12.328  -1.791  -8.423
  383   2HB   GLU  48          2HB       GLU  48  12.092  -1.346 -10.121
  384   1HG   GLU  48          1HG       GLU  48  14.405  -1.568  -9.964
  385   2HG   GLU  48          2HG       GLU  48  14.153   0.178  -9.893
  386    H    LEU  49           H        LEU  49  10.180  -1.032  -7.193
  387    HA   LEU  49           HA       LEU  49   7.957  -1.511  -8.929
  388   1HB   LEU  49          1HB       LEU  49   8.030  -1.342  -5.893
  389   2HB   LEU  49          2HB       LEU  49   6.683  -1.985  -6.834
  390    HG   LEU  49           HG       LEU  49   9.504  -3.162  -6.851
  391   1HD1  LEU  49          3HD1      LEU  49   8.412  -3.389  -4.642
  392   2HD1  LEU  49          1HD1      LEU  49   6.990  -4.116  -5.421
  393   3HD1  LEU  49          2HD1      LEU  49   8.560  -4.947  -5.464
  394   1HD2  LEU  49          3HD2      LEU  49   6.873  -4.186  -8.004
  395   2HD2  LEU  49          1HD2      LEU  49   8.320  -3.710  -8.925
  396   3HD2  LEU  49          2HD2      LEU  49   8.371  -5.129  -7.877
  397    H    PHE  50           H        PHE  50   8.565   1.082  -6.598
  398    HA   PHE  50           HA       PHE  50   6.106   2.443  -6.856
  399   1HB   PHE  50          1HB       PHE  50   7.821   2.826  -5.102
  400   2HB   PHE  50          2HB       PHE  50   8.887   3.555  -6.290
  401    HD1  PHE  50           HD1      PHE  50   5.717   3.923  -4.441
  402    HD2  PHE  50           HD2      PHE  50   8.537   5.866  -7.048
  403    HE1  PHE  50           HE1      PHE  50   4.789   6.136  -3.792
  404    HE2  PHE  50           HE2      PHE  50   7.666   8.079  -6.336
  405    HZ   PHE  50           HZ       PHE  50   5.913   8.209  -4.584
  406    H    GLU  51           H        GLU  51   9.214   2.992  -8.622
  407    HA   GLU  51           HA       GLU  51   8.168   4.982 -10.375
  408   1HB   GLU  51          1HB       GLU  51  10.394   2.942 -10.818
  409   2HB   GLU  51          2HB       GLU  51  10.058   4.314 -11.882
  410   1HG   GLU  51          1HG       GLU  51  10.846   4.544  -8.938
  411   2HG   GLU  51          2HG       GLU  51  11.913   4.793 -10.321
  412    H    GLU  52           H        GLU  52   8.339   1.459 -10.759
  413    HA   GLU  52           HA       GLU  52   7.227   1.289 -13.340
  414   1HB   GLU  52          1HB       GLU  52   8.343  -0.579 -12.164
  415   2HB   GLU  52          2HB       GLU  52   7.017  -0.653 -11.003
  416   1HG   GLU  52          1HG       GLU  52   6.803  -2.445 -12.603
  417   2HG   GLU  52          2HG       GLU  52   5.444  -1.332 -12.770
  418    H    LEU  53           H        LEU  53   5.606   1.381 -10.178
  419    HA   LEU  53           HA       LEU  53   2.947   1.097 -11.246
  420   1HB   LEU  53          1HB       LEU  53   4.035   2.115  -8.606
  421   2HB   LEU  53          2HB       LEU  53   2.319   1.906  -8.954
  422    HG   LEU  53           HG       LEU  53   4.298  -0.401  -9.131
  423   1HD1  LEU  53          3HD1      LEU  53   4.227   0.554  -6.837
  424   2HD1  LEU  53          1HD1      LEU  53   2.455   0.396  -6.844
  425   3HD1  LEU  53          2HD1      LEU  53   3.487  -1.052  -6.914
  426   1HD2  LEU  53          3HD2      LEU  53   1.265  -0.307  -9.029
  427   2HD2  LEU  53          1HD2      LEU  53   2.277  -0.823 -10.397
  428   3HD2  LEU  53          2HD2      LEU  53   2.274  -1.773  -8.919
  429    H    ASP  54           H        ASP  54   4.885   3.909 -10.256
  430    HA   ASP  54           HA       ASP  54   2.778   5.792 -10.940
  431   1HB   ASP  54          1HB       ASP  54   4.400   6.283  -9.143
  432   2HB   ASP  54          2HB       ASP  54   5.697   6.281 -10.327
  433    H    LYS  55           H        LYS  55   2.715   4.513 -13.128
  434    HA   LYS  55           HA       LYS  55   4.492   4.770 -15.213
  435   1HB   LYS  55          1HB       LYS  55   1.468   4.816 -15.099
  436   2HB   LYS  55          2HB       LYS  55   2.289   4.949 -16.653
  437   1HG   LYS  55          1HG       LYS  55   3.036   2.712 -14.752
  438   2HG   LYS  55          2HG       LYS  55   1.597   2.594 -15.777
  439   1HD   LYS  55          1HD       LYS  55   2.857   2.896 -17.805
  440   2HD   LYS  55          2HD       LYS  55   4.353   3.232 -16.927
  441   1HE   LYS  55          1HE       LYS  55   2.852   0.583 -16.710
  442   2HE   LYS  55          2HE       LYS  55   4.137   0.890 -17.890
  443   1HZ   LYS  55          1HZ       LYS  55   4.470   1.093 -14.979
  444   2HZ   LYS  55          2HZ       LYS  55   4.983  -0.154 -15.924
  445   3HZ   LYS  55          3HZ       LYS  55   5.631   1.347 -16.115
  446    H    ASN  56           H        ASN  56   2.102   7.210 -14.261
  447    HA   ASN  56           HA       ASN  56   2.939   8.996 -16.411
  448   1HB   ASN  56          1HB       ASN  56   1.213  10.336 -15.932
  449   2HB   ASN  56          2HB       ASN  56   0.579   8.833 -15.269
  450   1HD2  ASN  56          1HD2      ASN  56   1.220  10.034 -11.821
  451   2HD2  ASN  56          2HD2      ASN  56   1.579   8.633 -12.811
  452    H    GLY  57           H        GLY  57   4.465   8.269 -13.504
  453   1HA   GLY  57          1HA       GLY  57   6.254   9.158 -12.471
  454   2HA   GLY  57          2HA       GLY  57   6.526  10.038 -13.978
  455    H    ASP  58           H        ASP  58   3.717  10.514 -11.737
  456    HA   ASP  58           HA       ASP  58   4.308  13.342 -11.660
  457   1HB   ASP  58          1HB       ASP  58   2.332  13.553 -10.403
  458   2HB   ASP  58          2HB       ASP  58   2.012  12.436 -11.718
  459    H    GLY  59           H        GLY  59   5.109  10.602  -9.596
  460   1HA   GLY  59          1HA       GLY  59   7.065  11.106  -8.145
  461   2HA   GLY  59          2HA       GLY  59   6.149  12.460  -7.468
  462    H    GLU  60           H        GLU  60   3.603  10.589  -7.698
  463    HA   GLU  60           HA       GLU  60   4.185   8.383  -5.977
  464   1HB   GLU  60          1HB       GLU  60   3.741   9.088  -4.000
  465   2HB   GLU  60          2HB       GLU  60   3.860  10.741  -4.617
  466   1HG   GLU  60          1HG       GLU  60   1.487  10.719  -5.064
  467   2HG   GLU  60          2HG       GLU  60   1.364   9.058  -4.409
  468    H    VAL  61           H        VAL  61   2.398   6.911  -5.655
  469    HA   VAL  61           HA       VAL  61   1.493   6.583  -8.388
  470    HB   VAL  61           HB       VAL  61   1.007   4.743  -6.033
  471   1HG1  VAL  61          3HG1      VAL  61  -0.270   4.295  -8.196
  472   2HG1  VAL  61          1HG1      VAL  61   1.313   4.123  -8.990
  473   3HG1  VAL  61          2HG1      VAL  61   0.824   3.009  -7.690
  474   1HG2  VAL  61          3HG2      VAL  61   3.375   4.823  -7.954
  475   2HG2  VAL  61          1HG2      VAL  61   3.453   5.152  -6.211
  476   3HG2  VAL  61          2HG2      VAL  61   3.050   3.536  -6.806
  477    H    SER  62           H        SER  62  -0.431   7.197  -9.229
  478    HA   SER  62           HA       SER  62  -2.737   7.863  -7.591
  479   1HB   SER  62          1HB       SER  62  -3.021   7.380 -10.551
  480   2HB   SER  62          2HB       SER  62  -3.721   8.635  -9.530
  481    HG   SER  62           HG       SER  62  -1.020   8.492 -10.463
  482    H    PHE  63           H        PHE  63  -4.766   6.722  -7.486
  483    HA   PHE  63           HA       PHE  63  -4.725   3.948  -7.407
  484   1HB   PHE  63          1HB       PHE  63  -6.492   5.283  -6.368
  485   2HB   PHE  63          2HB       PHE  63  -7.115   5.743  -7.955
  486    HD1  PHE  63           HD1      PHE  63  -6.267   2.636  -5.998
  487    HD2  PHE  63           HD2      PHE  63  -8.924   4.457  -8.855
  488    HE1  PHE  63           HE1      PHE  63  -7.580   0.552  -6.086
  489    HE2  PHE  63           HE2      PHE  63 -10.236   2.355  -8.947
  490    HZ   PHE  63           HZ       PHE  63  -9.567   0.395  -7.537
  491    H    GLU  64           H        GLU  64  -5.275   5.889 -10.287
  492    HA   GLU  64           HA       GLU  64  -6.335   3.745 -11.884
  493   1HB   GLU  64          1HB       GLU  64  -4.897   6.322 -12.723
  494   2HB   GLU  64          2HB       GLU  64  -5.765   5.219 -13.790
  495   1HG   GLU  64          1HG       GLU  64  -7.209   7.080 -13.295
  496   2HG   GLU  64          2HG       GLU  64  -7.869   5.630 -12.531
  497    H    GLU  65           H        GLU  65  -3.059   5.272 -11.973
  498    HA   GLU  65           HA       GLU  65  -1.956   3.162 -13.535
  499   1HB   GLU  65          1HB       GLU  65   0.195   4.178 -13.107
  500   2HB   GLU  65          2HB       GLU  65  -1.030   5.377 -13.538
  501   1HG   GLU  65          1HG       GLU  65  -1.326   5.773 -11.006
  502   2HG   GLU  65          2HG       GLU  65   0.125   4.798 -10.786
  503    H    PHE  66           H        PHE  66  -2.352   3.470 -10.013
  504    HA   PHE  66           HA       PHE  66  -0.787   1.338  -9.087
  505   1HB   PHE  66          1HB       PHE  66  -1.932   2.639  -7.522
  506   2HB   PHE  66          2HB       PHE  66  -3.439   2.471  -8.405
  507    HD1  PHE  66           HD1      PHE  66  -1.149   0.525  -6.164
  508    HD2  PHE  66           HD2      PHE  66  -5.053   0.922  -7.904
  509    HE1  PHE  66           HE1      PHE  66  -2.045  -1.179  -4.583
  510    HE2  PHE  66           HE2      PHE  66  -5.872  -1.008  -6.583
  511    HZ   PHE  66           HZ       PHE  66  -4.392  -1.974  -4.804
  512    H    GLN  67           H        GLN  67  -3.710   1.128 -11.158
  513    HA   GLN  67           HA       GLN  67  -4.221  -1.627 -10.698
  514   1HB   GLN  67          1HB       GLN  67  -4.538  -0.149 -13.334
  515   2HB   GLN  67          2HB       GLN  67  -5.238  -1.710 -12.900
  516   1HG   GLN  67          1HG       GLN  67  -6.027   1.016 -11.844
  517   2HG   GLN  67          2HG       GLN  67  -6.997  -0.182 -12.674
  518   1HE2  GLN  67          1HE2      GLN  67  -6.983  -0.073  -8.678
  519   2HE2  GLN  67          2HE2      GLN  67  -6.391   1.223  -9.698
  520    H    VAL  68           H        VAL  68  -1.439  -0.206 -12.288
  521    HA   VAL  68           HA       VAL  68  -0.508  -2.436 -13.761
  522    HB   VAL  68           HB       VAL  68   0.945  -0.290 -12.197
  523   1HG1  VAL  68          1HG1      VAL  68   2.085  -2.335 -14.148
  524   2HG1  VAL  68          2HG1      VAL  68   2.940  -0.882 -13.588
  525   3HG1  VAL  68          3HG1      VAL  68   2.525  -2.151 -12.435
  526   1HG2  VAL  68          1HG2      VAL  68  -0.432   0.429 -14.211
  527   2HG2  VAL  68          2HG2      VAL  68   1.305   0.698 -14.400
  528   3HG2  VAL  68          3HG2      VAL  68   0.526  -0.681 -15.201
  529    H    LEU  69           H        LEU  69  -0.713  -1.904 -10.258
  530    HA   LEU  69           HA       LEU  69   1.021  -4.076  -9.519
  531   1HB   LEU  69          1HB       LEU  69   0.189  -2.140  -8.004
  532   2HB   LEU  69          2HB       LEU  69  -1.363  -2.962  -7.975
  533    HG   LEU  69           HG       LEU  69  -0.138  -5.016  -7.037
  534   1HD1  LEU  69          1HD1      LEU  69   2.069  -2.938  -6.647
  535   2HD1  LEU  69          2HD1      LEU  69   2.023  -4.539  -5.898
  536   3HD1  LEU  69          3HD1      LEU  69   2.196  -4.397  -7.651
  537   1HD2  LEU  69          3HD2      LEU  69  -0.104  -2.426  -5.436
  538   2HD2  LEU  69          1HD2      LEU  69  -1.498  -3.516  -5.645
  539   3HD2  LEU  69          2HD2      LEU  69  -0.065  -4.068  -4.761
  540    H    VAL  70           H        VAL  70  -2.487  -3.709 -10.187
  541    HA   VAL  70           HA       VAL  70  -3.197  -6.389  -9.425
  542    HB   VAL  70           HB       VAL  70  -4.645  -4.511 -11.359
  543   1HG1  VAL  70          1HG1      VAL  70  -5.612  -6.887  -9.709
  544   2HG1  VAL  70          2HG1      VAL  70  -6.640  -5.804 -10.672
  545   3HG1  VAL  70          3HG1      VAL  70  -5.456  -6.840 -11.478
  546   1HG2  VAL  70          3HG2      VAL  70  -4.791  -4.843  -8.345
  547   2HG2  VAL  70          1HG2      VAL  70  -4.324  -3.367  -9.199
  548   3HG2  VAL  70          2HG2      VAL  70  -5.990  -3.941  -9.305
  549    H    LYS  71           H        LYS  71  -2.194  -4.836 -12.482
  550    HA   LYS  71           HA       LYS  71  -2.278  -7.161 -14.108
  551   1HB   LYS  71          1HB       LYS  71  -1.879  -5.147 -15.231
  552   2HB   LYS  71          2HB       LYS  71  -0.617  -4.649 -14.118
  553   1HG   LYS  71          1HG       LYS  71   0.953  -6.280 -15.024
  554   2HG   LYS  71          2HG       LYS  71  -0.286  -6.877 -16.142
  555   1HD   LYS  71          1HD       LYS  71  -0.429  -4.621 -17.177
  556   2HD   LYS  71          2HD       LYS  71   0.801  -4.028 -16.044
  557   1HE   LYS  71          1HE       LYS  71   2.432  -5.683 -16.954
  558   2HE   LYS  71          2HE       LYS  71   1.200  -6.264 -18.091
  559   1HZ   LYS  71          3HZ       LYS  71   1.149  -4.080 -19.053
  560   2HZ   LYS  71          1HZ       LYS  71   2.293  -3.540 -17.996
  561   3HZ   LYS  71          2HZ       LYS  71   2.674  -4.701 -19.101
  562    H    LYS  72           H        LYS  72   0.391  -6.008 -12.049
  563    HA   LYS  72           HA       LYS  72   2.043  -8.293 -12.428
  564   1HB   LYS  72          1HB       LYS  72   1.900  -6.161 -10.310
  565   2HB   LYS  72          2HB       LYS  72   2.736  -7.660  -9.916
  566   1HG   LYS  72          1HG       LYS  72   4.372  -6.162 -10.725
  567   2HG   LYS  72          2HG       LYS  72   4.159  -7.435 -11.931
  568   1HD   LYS  72          1HD       LYS  72   2.673  -5.855 -13.240
  569   2HD   LYS  72          2HD       LYS  72   3.014  -4.608 -12.024
  570   1HE   LYS  72          1HE       LYS  72   5.435  -4.748 -12.553
  571   2HE   LYS  72          2HE       LYS  72   5.103  -6.002 -13.763
  572   1HZ   LYS  72          1HZ       LYS  72   4.077  -3.255 -13.827
  573   2HZ   LYS  72          2HZ       LYS  72   5.308  -3.834 -14.745
  574   3HZ   LYS  72          3HZ       LYS  72   3.781  -4.417 -14.957
  575    H    ILE  73           H        ILE  73  -0.583  -7.831 -10.079
  576    HA   ILE  73           HA       ILE  73  -0.237 -10.340  -8.758
  577    HB   ILE  73           HB       ILE  73  -2.778  -8.717  -9.150
  578   1HG1  ILE  73          1HG1      ILE  73  -0.953  -9.031  -6.723
  579   2HG1  ILE  73          2HG1      ILE  73  -0.931  -7.650  -7.822
  580   1HG2  ILE  73          1HG2      ILE  73  -2.277 -11.086  -7.301
  581   2HG2  ILE  73          2HG2      ILE  73  -3.738 -10.077  -7.317
  582   3HG2  ILE  73          3HG2      ILE  73  -3.368 -11.082  -8.700
  583   1HD1  ILE  73          3HD1      ILE  73  -3.342  -7.202  -7.239
  584   2HD1  ILE  73          1HD1      ILE  73  -3.186  -8.425  -5.958
  585   3HD1  ILE  73          2HD1      ILE  73  -2.167  -6.982  -5.930
  586    H    SER  74           H        SER  74  -2.408  -9.494 -11.448
  587    HA   SER  74           HA       SER  74  -2.261 -12.083 -12.735
  588   1HB   SER  74          1HB       SER  74  -4.671 -11.481 -10.965
  589   2HB   SER  74          2HB       SER  74  -4.724 -12.631 -12.304
  590    HG   SER  74           HG       SER  74  -2.663 -12.973 -10.467
  591    H    GLN  75           H        GLN  75  -1.760 -10.079 -14.188
  592    HA   GLN  75           HA       GLN  75  -3.744  -8.534 -15.352
  593   1HB   GLN  75          1HB       GLN  75  -1.216  -8.905 -15.967
  594   2HB   GLN  75          2HB       GLN  75  -1.810 -10.135 -17.073
  595   1HG   GLN  75          1HG       GLN  75  -2.593  -7.175 -17.072
  596   2HG   GLN  75          2HG       GLN  75  -1.446  -7.950 -18.167
  597   1HE2  GLN  75          1HE2      GLN  75  -5.446  -8.290 -18.898
  598   2HE2  GLN  75          2HE2      GLN  75  -4.884  -7.491 -17.441
   
  No H/Q in entry =         598
  Start of MODEL           8
 Raw file had  599 H/Q atoms
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1  -8.069 -11.267  -4.960
    2   2H    LYS   1          2H        LYS   1  -6.757 -10.286  -4.578
    3   3H    LYS   1          3H        LYS   1  -7.375 -11.349  -3.430
    4    HA   LYS   1           HA       LYS   1  -9.402 -10.147  -3.287
    5   1HB   LYS   1          1HB       LYS   1  -6.955  -8.384  -2.997
    6   2HB   LYS   1          2HB       LYS   1  -8.563  -8.124  -2.299
    7   1HG   LYS   1          1HG       LYS   1  -8.329 -10.599  -1.422
    8   2HG   LYS   1          2HG       LYS   1  -6.607 -10.374  -1.676
    9   1HD   LYS   1          1HD       LYS   1  -8.441  -8.549  -0.050
   10   2HD   LYS   1          2HD       LYS   1  -7.582  -9.916   0.657
   11   1HE   LYS   1          1HE       LYS   1  -6.230  -7.510  -0.646
   12   2HE   LYS   1          2HE       LYS   1  -6.374  -7.807   1.095
   13   1HZ   LYS   1          3HZ       LYS   1  -5.130  -9.838   0.781
   14   2HZ   LYS   1          1HZ       LYS   1  -4.915  -9.486  -0.815
   15   3HZ   LYS   1          2HZ       LYS   1  -4.255  -8.525   0.342
   16    H    SER   2           H        SER   2 -10.852  -8.759  -4.202
   17    HA   SER   2           HA       SER   2 -10.675  -8.492  -7.016
   18   1HB   SER   2          1HB       SER   2 -12.914  -7.402  -6.756
   19   2HB   SER   2          2HB       SER   2 -12.785  -8.878  -5.796
   20    HG   SER   2           HG       SER   2 -12.588  -7.688  -3.975
   21    HA   PRO   3           HA       PRO   3  -9.227  -4.262  -7.751
   22   1HB   PRO   3          1HB       PRO   3 -11.918  -3.936  -9.095
   23   2HB   PRO   3          2HB       PRO   3 -10.322  -3.332  -9.630
   24   1HG   PRO   3          1HG       PRO   3 -11.300  -5.598 -10.727
   25   2HG   PRO   3          2HG       PRO   3  -9.598  -5.566 -10.173
   26   1HD   PRO   3          1HD       PRO   3 -12.005  -6.718  -8.752
   27   2HD   PRO   3          2HD       PRO   3 -10.375  -7.422  -8.966
   28    H    GLU   4           H        GLU   4 -12.592  -4.802  -6.622
   29    HA   GLU   4           HA       GLU   4 -12.987  -2.232  -5.467
   30   1HB   GLU   4          1HB       GLU   4 -14.794  -3.865  -6.045
   31   2HB   GLU   4          2HB       GLU   4 -14.257  -4.902  -4.710
   32   1HG   GLU   4          1HG       GLU   4 -14.775  -3.076  -3.097
   33   2HG   GLU   4          2HG       GLU   4 -15.266  -2.033  -4.442
   34    H    GLU   5           H        GLU   5 -11.719  -5.285  -4.139
   35    HA   GLU   5           HA       GLU   5 -11.451  -4.291  -1.421
   36   1HB   GLU   5          1HB       GLU   5 -10.175  -6.590  -2.949
   37   2HB   GLU   5          2HB       GLU   5  -9.758  -6.215  -1.271
   38   1HG   GLU   5          1HG       GLU   5 -11.949  -6.653  -0.475
   39   2HG   GLU   5          2HG       GLU   5 -12.658  -6.598  -2.089
   40    H    LEU   6           H        LEU   6  -9.308  -4.546  -4.234
   41    HA   LEU   6           HA       LEU   6  -7.030  -3.335  -3.090
   42   1HB   LEU   6          1HB       LEU   6  -8.016  -3.552  -5.951
   43   2HB   LEU   6          2HB       LEU   6  -6.509  -2.811  -5.533
   44    HG   LEU   6           HG       LEU   6  -7.165  -5.531  -4.340
   45   1HD1  LEU   6          3HD1      LEU   6  -7.550  -5.854  -6.753
   46   2HD1  LEU   6          1HD1      LEU   6  -5.909  -5.250  -7.074
   47   3HD1  LEU   6          2HD1      LEU   6  -6.139  -6.732  -6.124
   48   1HD2  LEU   6          3HD2      LEU   6  -4.573  -4.163  -5.262
   49   2HD2  LEU   6          1HD2      LEU   6  -5.087  -4.358  -3.571
   50   3HD2  LEU   6          2HD2      LEU   6  -4.656  -5.770  -4.557
   51    H    LYS   7           H        LYS   7  -9.825  -1.800  -4.703
   52    HA   LYS   7           HA       LYS   7  -8.868   0.856  -4.450
   53   1HB   LYS   7          1HB       LYS   7 -10.859   0.168  -5.779
   54   2HB   LYS   7          2HB       LYS   7 -11.754  -0.139  -4.309
   55   1HG   LYS   7          1HG       LYS   7 -12.359   1.997  -5.317
   56   2HG   LYS   7          2HG       LYS   7 -11.760   2.181  -3.669
   57   1HD   LYS   7          1HD       LYS   7  -9.589   2.985  -4.471
   58   2HD   LYS   7          2HD       LYS   7 -10.043   2.655  -6.150
   59   1HE   LYS   7          1HE       LYS   7 -11.454   4.660  -4.329
   60   2HE   LYS   7          2HE       LYS   7 -10.180   5.063  -5.490
   61   1HZ   LYS   7          3HZ       LYS   7 -11.573   4.220  -7.234
   62   2HZ   LYS   7          1HZ       LYS   7 -12.780   3.884  -6.162
   63   3HZ   LYS   7          2HZ       LYS   7 -12.315   5.443  -6.415
   64    H    GLY   8           H        GLY   8 -10.887  -1.055  -2.252
   65   1HA   GLY   8          1HA       GLY   8 -11.275   0.893  -0.210
   66   2HA   GLY   8          2HA       GLY   8 -11.227  -0.861   0.063
   67    H    ILE   9           H        ILE   9  -8.781  -1.591  -0.536
   68    HA   ILE   9           HA       ILE   9  -7.040  -0.917   1.595
   69    HB   ILE   9           HB       ILE   9  -6.720  -2.255  -1.109
   70   1HG1  ILE   9          1HG1      ILE   9  -6.782  -3.314   1.758
   71   2HG1  ILE   9          2HG1      ILE   9  -8.154  -3.318   0.646
   72   1HG2  ILE   9          3HG2      ILE   9  -4.524  -1.338  -0.529
   73   2HG2  ILE   9          1HG2      ILE   9  -4.631  -2.111   1.065
   74   3HG2  ILE   9          2HG2      ILE   9  -4.522  -3.086  -0.416
   75   1HD1  ILE   9          3HD1      ILE   9  -6.815  -4.752  -0.930
   76   2HD1  ILE   9          1HD1      ILE   9  -5.570  -4.878   0.337
   77   3HD1  ILE   9          2HD1      ILE   9  -7.198  -5.501   0.636
   78    H    PHE  10           H        PHE  10  -6.929   0.126  -1.858
   79    HA   PHE  10           HA       PHE  10  -4.681   1.761  -1.721
   80   1HB   PHE  10          1HB       PHE  10  -5.903   1.192  -3.813
   81   2HB   PHE  10          2HB       PHE  10  -7.247   2.180  -3.305
   82    HD1  PHE  10           HD1      PHE  10  -7.087   4.658  -3.178
   83    HD2  PHE  10           HD2      PHE  10  -3.863   2.220  -4.699
   84    HE1  PHE  10           HE1      PHE  10  -5.838   6.683  -3.782
   85    HE2  PHE  10           HE2      PHE  10  -2.658   4.275  -5.392
   86    HZ   PHE  10           HZ       PHE  10  -3.562   6.492  -4.752
   87    H    GLU  11           H        GLU  11  -8.103   2.609  -1.062
   88    HA   GLU  11           HA       GLU  11  -7.624   5.348  -0.395
   89   1HB   GLU  11          1HB       GLU  11  -9.864   3.435   0.376
   90   2HB   GLU  11          2HB       GLU  11  -9.866   5.166   0.746
   91   1HG   GLU  11          1HG       GLU  11  -9.768   5.755  -1.609
   92   2HG   GLU  11          2HG       GLU  11  -9.589   4.066  -2.089
   93    H    LYS  12           H        LYS  12  -7.958   2.439   1.708
   94    HA   LYS  12           HA       LYS  12  -7.536   3.625   4.204
   95   1HB   LYS  12          1HB       LYS  12  -8.161   1.366   4.112
   96   2HB   LYS  12          2HB       LYS  12  -6.813   0.897   3.076
   97   1HG   LYS  12          1HG       LYS  12  -5.207   1.070   4.797
   98   2HG   LYS  12          2HG       LYS  12  -6.356   1.908   5.886
   99   1HD   LYS  12          1HD       LYS  12  -7.788  -0.243   5.730
  100   2HD   LYS  12          2HD       LYS  12  -6.373  -1.014   5.001
  101   1HE   LYS  12          1HE       LYS  12  -6.536   0.317   7.755
  102   2HE   LYS  12          2HE       LYS  12  -6.511  -1.425   7.446
  103   1HZ   LYS  12          1HZ       LYS  12  -4.333   0.424   6.769
  104   2HZ   LYS  12          2HZ       LYS  12  -4.380  -0.551   8.095
  105   3HZ   LYS  12          3HZ       LYS  12  -4.315  -1.218   6.595
  106    H    TYR  13           H        TYR  13  -4.968   2.239   2.086
  107    HA   TYR  13           HA       TYR  13  -2.931   3.134   3.966
  108   1HB   TYR  13          1HB       TYR  13  -2.838   1.800   1.270
  109   2HB   TYR  13          2HB       TYR  13  -1.385   2.276   2.152
  110    HD1  TYR  13           HD1      TYR  13  -1.058   1.470   4.522
  111    HD2  TYR  13           HD2      TYR  13  -4.163  -0.142   2.073
  112    HE1  TYR  13           HE1      TYR  13  -1.227  -0.528   6.023
  113    HE2  TYR  13           HE2      TYR  13  -4.299  -2.132   3.459
  114    HH   TYR  13           HH       TYR  13  -3.573  -3.159   5.432
  115    H    ALA  14           H        ALA  14  -4.251   4.439   0.953
  116    HA   ALA  14           HA       ALA  14  -2.241   6.488   0.639
  117   1HB   ALA  14          3HB       ALA  14  -3.765   5.766  -1.180
  118   2HB   ALA  14          1HB       ALA  14  -5.140   6.439  -0.276
  119   3HB   ALA  14          2HB       ALA  14  -3.852   7.498  -0.892
  120    H    ALA  15           H        ALA  15  -5.396   6.401   2.264
  121    HA   ALA  15           HA       ALA  15  -5.322   9.089   3.258
  122   1HB   ALA  15          3HB       ALA  15  -7.400   7.704   3.171
  123   2HB   ALA  15          1HB       ALA  15  -6.712   6.636   4.424
  124   3HB   ALA  15          2HB       ALA  15  -7.079   8.327   4.805
  125    H    LYS  16           H        LYS  16  -3.973   6.024   4.486
  126    HA   LYS  16           HA       LYS  16  -3.331   6.937   7.076
  127   1HB   LYS  16          1HB       LYS  16  -3.225   4.560   6.300
  128   2HB   LYS  16          2HB       LYS  16  -1.815   4.982   5.331
  129   1HG   LYS  16          1HG       LYS  16  -0.830   5.825   7.669
  130   2HG   LYS  16          2HG       LYS  16  -2.112   4.828   8.337
  131   1HD   LYS  16          1HD       LYS  16  -0.012   3.597   8.234
  132   2HD   LYS  16          2HD       LYS  16  -1.194   2.843   7.158
  133   1HE   LYS  16          1HE       LYS  16   1.185   3.046   6.265
  134   2HE   LYS  16          2HE       LYS  16  -0.061   3.678   5.190
  135   1HZ   LYS  16          1HZ       LYS  16   1.532   5.352   7.013
  136   2HZ   LYS  16          2HZ       LYS  16   1.855   5.115   5.413
  137   3HZ   LYS  16          3HZ       LYS  16   0.462   5.863   5.866
  138    H    GLU  17           H        GLU  17  -2.652   9.111   6.785
  139    HA   GLU  17           HA       GLU  17  -1.048  10.653   7.163
  140   1HB   GLU  17          1HB       GLU  17   1.035   8.706   6.123
  141   2HB   GLU  17          2HB       GLU  17   1.338  10.265   6.877
  142   1HG   GLU  17          1HG       GLU  17   0.474   9.533   9.005
  143   2HG   GLU  17          2HG       GLU  17  -0.150   8.028   8.327
  144    H    GLY  18           H        GLY  18  -0.886   8.901   4.088
  145   1HA   GLY  18          1HA       GLY  18  -0.003  11.211   2.549
  146   2HA   GLY  18          2HA       GLY  18  -0.612   9.673   1.925
  147    H    ASP  19           H        ASP  19  -1.565  11.277   0.379
  148    HA   ASP  19           HA       ASP  19  -4.079  12.535   1.289
  149   1HB   ASP  19          1HB       ASP  19  -2.682  13.728  -0.367
  150   2HB   ASP  19          2HB       ASP  19  -2.797  12.350  -1.474
  151    HA   PRO  20           HA       PRO  20  -6.139   8.602   0.641
  152   1HB   PRO  20          1HB       PRO  20  -8.623   9.505  -0.316
  153   2HB   PRO  20          2HB       PRO  20  -8.147   9.305   1.397
  154   1HG   PRO  20          1HG       PRO  20  -8.097  11.797  -0.306
  155   2HG   PRO  20          2HG       PRO  20  -8.637  11.636   1.391
  156   1HD   PRO  20          1HD       PRO  20  -6.231  12.636   0.825
  157   2HD   PRO  20          2HD       PRO  20  -6.367  11.457   2.160
  158    H    ASN  21           H        ASN  21  -5.856  10.895  -2.032
  159    HA   ASN  21           HA       ASN  21  -6.773   8.966  -4.045
  160   1HB   ASN  21          1HB       ASN  21  -5.582  11.748  -4.270
  161   2HB   ASN  21          2HB       ASN  21  -6.335  10.824  -5.562
  162   1HD2  ASN  21          1HD2      ASN  21  -8.709  12.856  -2.941
  163   2HD2  ASN  21          2HD2      ASN  21  -6.962  12.772  -2.702
  164    H    GLN  22           H        GLN  22  -3.793   9.355  -2.378
  165    HA   GLN  22           HA       GLN  22  -2.253   8.300  -4.685
  166   1HB   GLN  22          1HB       GLN  22  -2.523  10.841  -4.773
  167   2HB   GLN  22          2HB       GLN  22  -1.517  10.898  -3.323
  168   1HG   GLN  22          1HG       GLN  22   0.276   9.740  -4.596
  169   2HG   GLN  22          2HG       GLN  22  -0.794   9.581  -5.993
  170   1HE2  GLN  22          1HE2      GLN  22   0.928  12.512  -7.102
  171   2HE2  GLN  22          2HE2      GLN  22   0.934  10.762  -7.203
  172    H    LEU  23           H        LEU  23  -0.858   6.741  -4.006
  173    HA   LEU  23           HA       LEU  23  -0.267   6.449  -1.159
  174   1HB   LEU  23          1HB       LEU  23   0.406   4.768  -3.583
  175   2HB   LEU  23          2HB       LEU  23   0.843   4.396  -1.932
  176    HG   LEU  23           HG       LEU  23  -2.064   4.769  -2.660
  177   1HD1  LEU  23          3HD1      LEU  23  -1.083   3.022  -4.152
  178   2HD1  LEU  23          1HD1      LEU  23  -0.420   2.206  -2.723
  179   3HD1  LEU  23          2HD1      LEU  23  -2.173   2.311  -2.937
  180   1HD2  LEU  23          1HD2      LEU  23  -1.327   4.694  -0.233
  181   2HD2  LEU  23          2HD2      LEU  23  -2.417   3.371  -0.688
  182   3HD2  LEU  23          3HD2      LEU  23  -0.673   3.079  -0.516
  183    H    SER  24           H        SER  24   1.654   6.986  -0.234
  184    HA   SER  24           HA       SER  24   3.985   7.840  -1.786
  185   1HB   SER  24          1HB       SER  24   4.992   8.269   0.320
  186   2HB   SER  24          2HB       SER  24   3.300   8.724   0.523
  187    HG   SER  24           HG       SER  24   4.062   7.452   2.257
  188    H    LYS  25           H        LYS  25   6.184   6.687  -1.127
  189    HA   LYS  25           HA       LYS  25   6.106   3.968  -1.967
  190   1HB   LYS  25          1HB       LYS  25   8.220   5.538  -0.379
  191   2HB   LYS  25          2HB       LYS  25   8.451   3.882  -0.953
  192   1HG   LYS  25          1HG       LYS  25   8.144   4.607  -3.273
  193   2HG   LYS  25          2HG       LYS  25   7.957   6.292  -2.729
  194   1HD   LYS  25          1HD       LYS  25  10.242   6.237  -1.776
  195   2HD   LYS  25          2HD       LYS  25  10.427   4.545  -2.289
  196   1HE   LYS  25          1HE       LYS  25  10.141   5.216  -4.659
  197   2HE   LYS  25          2HE       LYS  25   9.923   6.905  -4.164
  198   1HZ   LYS  25          1HZ       LYS  25  12.349   5.304  -3.734
  199   2HZ   LYS  25          2HZ       LYS  25  12.138   6.459  -4.890
  200   3HZ   LYS  25          3HZ       LYS  25  12.137   6.880  -3.297
  201    H    GLU  26           H        GLU  26   6.295   5.500   1.211
  202    HA   GLU  26           HA       GLU  26   6.590   3.109   2.724
  203   1HB   GLU  26          1HB       GLU  26   5.127   5.508   3.881
  204   2HB   GLU  26          2HB       GLU  26   6.243   4.382   4.647
  205   1HG   GLU  26          1HG       GLU  26   7.493   6.275   4.476
  206   2HG   GLU  26          2HG       GLU  26   8.048   5.431   3.033
  207    H    GLU  27           H        GLU  27   3.754   5.047   1.910
  208    HA   GLU  27           HA       GLU  27   1.808   3.400   3.179
  209   1HB   GLU  27          1HB       GLU  27   1.670   5.173   0.743
  210   2HB   GLU  27          2HB       GLU  27   0.241   4.455   1.503
  211   1HG   GLU  27          1HG       GLU  27   0.427   5.705   3.467
  212   2HG   GLU  27          2HG       GLU  27   2.158   5.959   3.302
  213    H    LEU  28           H        LEU  28   3.087   3.216  -0.259
  214    HA   LEU  28           HA       LEU  28   1.800   0.751  -0.836
  215   1HB   LEU  28          1HB       LEU  28   4.384   2.026  -1.777
  216   2HB   LEU  28          2HB       LEU  28   3.958   0.394  -2.312
  217    HG   LEU  28           HG       LEU  28   1.940   2.576  -2.412
  218   1HD1  LEU  28          1HD1      LEU  28   4.095   2.078  -4.484
  219   2HD1  LEU  28          2HD1      LEU  28   2.640   3.074  -4.753
  220   3HD1  LEU  28          3HD1      LEU  28   3.818   3.559  -3.518
  221   1HD2  LEU  28          1HD2      LEU  28   1.217   0.213  -2.941
  222   2HD2  LEU  28          2HD2      LEU  28   1.091   1.240  -4.379
  223   3HD2  LEU  28          3HD2      LEU  28   2.460   0.132  -4.201
  224    H    LYS  29           H        LYS  29   4.877   1.265   0.893
  225    HA   LYS  29           HA       LYS  29   5.490  -1.529   0.834
  226   1HB   LYS  29          1HB       LYS  29   7.000   0.443   1.482
  227   2HB   LYS  29          2HB       LYS  29   6.160   0.538   3.004
  228   1HG   LYS  29          1HG       LYS  29   6.859  -1.830   3.518
  229   2HG   LYS  29          2HG       LYS  29   7.760  -1.864   1.990
  230   1HD   LYS  29          1HD       LYS  29   9.134   0.070   2.784
  231   2HD   LYS  29          2HD       LYS  29   8.251   0.066   4.318
  232   1HE   LYS  29          1HE       LYS  29   9.941  -2.243   3.232
  233   2HE   LYS  29          2HE       LYS  29  10.449  -1.089   4.476
  234   1HZ   LYS  29          3HZ       LYS  29   8.648  -1.865   5.846
  235   2HZ   LYS  29          1HZ       LYS  29   8.203  -2.966   4.703
  236   3HZ   LYS  29          2HZ       LYS  29   9.667  -3.096   5.446
  237    H    LEU  30           H        LEU  30   3.890   0.438   3.297
  238    HA   LEU  30           HA       LEU  30   3.268  -1.775   5.009
  239   1HB   LEU  30          1HB       LEU  30   2.209   1.046   4.732
  240   2HB   LEU  30          2HB       LEU  30   1.285  -0.096   5.702
  241    HG   LEU  30           HG       LEU  30   2.804   1.292   7.040
  242   1HD1  LEU  30          3HD1      LEU  30   2.037  -0.940   7.824
  243   2HD1  LEU  30          1HD1      LEU  30   3.536  -1.662   7.204
  244   3HD1  LEU  30          2HD1      LEU  30   3.603  -0.454   8.493
  245   1HD2  LEU  30          1HD2      LEU  30   4.718   1.480   5.496
  246   2HD2  LEU  30          2HD2      LEU  30   5.208   0.891   7.091
  247   3HD2  LEU  30          3HD2      LEU  30   5.092  -0.244   5.736
  248    H    LEU  31           H        LEU  31   1.353  -0.296   2.428
  249    HA   LEU  31           HA       LEU  31  -0.931  -1.926   2.548
  250   1HB   LEU  31          1HB       LEU  31  -0.568   0.035   1.082
  251   2HB   LEU  31          2HB       LEU  31   0.519  -0.903   0.068
  252    HG   LEU  31           HG       LEU  31  -2.396  -1.547   0.529
  253   1HD1  LEU  31          3HD1      LEU  31  -2.101   0.649  -0.598
  254   2HD1  LEU  31          1HD1      LEU  31  -1.009  -0.096  -1.778
  255   3HD1  LEU  31          2HD1      LEU  31  -2.725  -0.532  -1.755
  256   1HD2  LEU  31          3HD2      LEU  31  -0.355  -2.641  -1.458
  257   2HD2  LEU  31          1HD2      LEU  31  -1.362  -3.553  -0.303
  258   3HD2  LEU  31          2HD2      LEU  31  -2.105  -2.793  -1.698
  259    H    LEU  32           H        LEU  32   2.038  -2.457   0.682
  260    HA   LEU  32           HA       LEU  32   1.379  -5.032  -0.316
  261   1HB   LEU  32          1HB       LEU  32   4.071  -3.737   0.269
  262   2HB   LEU  32          2HB       LEU  32   3.896  -5.286  -0.560
  263    HG   LEU  32           HG       LEU  32   2.516  -2.790  -1.625
  264   1HD1  LEU  32          3HD1      LEU  32   4.947  -2.306  -1.430
  265   2HD1  LEU  32          1HD1      LEU  32   5.307  -3.812  -2.295
  266   3HD1  LEU  32          2HD1      LEU  32   4.451  -2.491  -3.118
  267   1HD2  LEU  32          3HD2      LEU  32   3.413  -5.412  -2.865
  268   2HD2  LEU  32          1HD2      LEU  32   1.734  -4.918  -2.547
  269   3HD2  LEU  32          2HD2      LEU  32   2.700  -4.046  -3.750
  270    H    GLN  33           H        GLN  33   3.478  -4.208   2.476
  271    HA   GLN  33           HA       GLN  33   4.033  -6.783   3.350
  272   1HB   GLN  33          1HB       GLN  33   5.149  -4.760   4.154
  273   2HB   GLN  33          2HB       GLN  33   3.664  -4.208   4.943
  274   1HG   GLN  33          1HG       GLN  33   3.740  -6.056   6.528
  275   2HG   GLN  33          2HG       GLN  33   5.121  -6.779   5.691
  276   1HE2  GLN  33          1HE2      GLN  33   7.490  -4.436   7.029
  277   2HE2  GLN  33          2HE2      GLN  33   7.185  -5.503   5.665
  278    H    THR  34           H        THR  34   1.343  -4.696   4.370
  279    HA   THR  34           HA       THR  34   0.401  -6.641   6.277
  280    HB   THR  34           HB       THR  34  -1.105  -4.229   5.205
  281    HG1  THR  34           HG1      THR  34   0.828  -3.492   5.901
  282   1HG2  THR  34          1HG2      THR  34  -1.182  -5.725   7.871
  283   2HG2  THR  34          2HG2      THR  34  -2.070  -4.236   7.506
  284   3HG2  THR  34          3HG2      THR  34  -2.464  -5.731   6.637
  285    H    GLU  35           H        GLU  35  -0.811  -5.609   3.003
  286    HA   GLU  35           HA       GLU  35  -3.085  -7.434   3.289
  287   1HB   GLU  35          1HB       GLU  35  -2.285  -5.489   1.092
  288   2HB   GLU  35          2HB       GLU  35  -3.822  -6.336   1.247
  289   1HG   GLU  35          1HG       GLU  35  -2.663  -4.230   3.135
  290   2HG   GLU  35          2HG       GLU  35  -3.970  -4.012   1.977
  291    H    PHE  36           H        PHE  36  -0.012  -7.270   1.567
  292    HA   PHE  36           HA       PHE  36  -0.592  -9.889   0.258
  293   1HB   PHE  36          1HB       PHE  36   0.709  -7.499  -1.080
  294   2HB   PHE  36          2HB       PHE  36   0.430  -9.091  -1.767
  295    HD1  PHE  36           HD1      PHE  36  -1.864  -9.801  -2.474
  296    HD2  PHE  36           HD2      PHE  36  -1.071  -5.861  -0.920
  297    HE1  PHE  36           HE1      PHE  36  -4.115  -9.030  -3.237
  298    HE2  PHE  36           HE2      PHE  36  -3.379  -5.159  -1.533
  299    HZ   PHE  36           HZ       PHE  36  -4.933  -6.795  -2.569
  300    HA   PRO  37           HA       PRO  37   3.443  -9.537   2.655
  301   1HB   PRO  37          1HB       PRO  37   3.223 -11.904   4.058
  302   2HB   PRO  37          2HB       PRO  37   2.558 -10.343   4.611
  303   1HG   PRO  37          1HG       PRO  37   1.095 -12.549   3.145
  304   2HG   PRO  37          2HG       PRO  37   0.575 -11.679   4.620
  305   1HD   PRO  37          1HD       PRO  37  -0.353 -10.977   2.192
  306   2HD   PRO  37          2HD       PRO  37   0.076  -9.704   3.364
  307    H    SER  38           H        SER  38   1.899 -11.971   0.574
  308    HA   SER  38           HA       SER  38   4.128 -13.614   0.055
  309   1HB   SER  38          1HB       SER  38   2.109 -12.956  -2.077
  310   2HB   SER  38          2HB       SER  38   2.698 -14.530  -1.515
  311    HG   SER  38           HG       SER  38   0.549 -14.180  -0.823
  312    H    LEU  39           H        LEU  39   3.100 -10.436  -1.064
  313    HA   LEU  39           HA       LEU  39   5.026 -10.359  -3.302
  314   1HB   LEU  39          1HB       LEU  39   2.793  -8.545  -2.383
  315   2HB   LEU  39          2HB       LEU  39   3.859  -8.181  -3.757
  316    HG   LEU  39           HG       LEU  39   1.990 -10.566  -3.503
  317   1HD1  LEU  39          3HD1      LEU  39   0.878  -8.332  -3.903
  318   2HD1  LEU  39          1HD1      LEU  39   1.875  -8.136  -5.353
  319   3HD1  LEU  39          2HD1      LEU  39   0.684  -9.451  -5.262
  320   1HD2  LEU  39          3HD2      LEU  39   3.824  -9.755  -5.794
  321   2HD2  LEU  39          1HD2      LEU  39   3.845 -11.288  -4.889
  322   3HD2  LEU  39          2HD2      LEU  39   2.489 -10.911  -5.948
  323    H    LEU  40           H        LEU  40   4.202  -8.673  -0.301
  324    HA   LEU  40           HA       LEU  40   5.216  -7.151   0.982
  325   1HB   LEU  40          1HB       LEU  40   6.025  -9.249   1.619
  326   2HB   LEU  40          2HB       LEU  40   7.325  -9.241   0.429
  327    HG   LEU  40           HG       LEU  40   8.450  -7.371   1.629
  328   1HD1  LEU  40          1HD1      LEU  40   6.219  -7.732   3.676
  329   2HD1  LEU  40          2HD1      LEU  40   7.690  -6.767   3.913
  330   3HD1  LEU  40          3HD1      LEU  40   6.510  -6.276   2.692
  331   1HD2  LEU  40          1HD2      LEU  40   9.017  -9.715   2.135
  332   2HD2  LEU  40          2HD2      LEU  40   9.172  -8.692   3.575
  333   3HD2  LEU  40          3HD2      LEU  40   7.762  -9.758   3.391
  334    H    LYS  41           H        LYS  41   7.911  -7.821  -1.217
  335    HA   LYS  41           HA       LYS  41   8.930  -5.072  -1.249
  336   1HB   LYS  41          1HB       LYS  41   9.440  -7.562  -2.953
  337   2HB   LYS  41          2HB       LYS  41  10.286  -6.025  -3.130
  338   1HG   LYS  41          1HG       LYS  41  11.124  -6.207  -0.795
  339   2HG   LYS  41          2HG       LYS  41  10.278  -7.758  -0.612
  340   1HD   LYS  41          1HD       LYS  41  11.602  -8.710  -2.488
  341   2HD   LYS  41          2HD       LYS  41  12.460  -7.167  -2.667
  342   1HE   LYS  41          1HE       LYS  41  13.334  -7.383  -0.344
  343   2HE   LYS  41          2HE       LYS  41  12.465  -8.919  -0.159
  344   1HZ   LYS  41          3HZ       LYS  41  13.778  -9.807  -1.941
  345   2HZ   LYS  41          1HZ       LYS  41  14.588  -8.382  -2.116
  346   3HZ   LYS  41          2HZ       LYS  41  14.745  -9.255  -0.727
  347    H    GLY  42           H        GLY  42   6.978  -7.250  -3.198
  348   1HA   GLY  42          1HA       GLY  42   5.012  -6.232  -4.408
  349   2HA   GLY  42          2HA       GLY  42   6.155  -5.072  -5.094
  350    H    GLY  43           H        GLY  43   8.334  -6.434  -5.713
  351   1HA   GLY  43          1HA       GLY  43   8.239  -9.028  -6.733
  352   2HA   GLY  43          2HA       GLY  43   7.728  -7.965  -8.071
  353    H    SER  44           H        SER  44   9.069  -5.838  -8.199
  354    HA   SER  44           HA       SER  44  11.957  -6.354  -8.133
  355   1HB   SER  44          1HB       SER  44  11.835  -3.908  -8.978
  356   2HB   SER  44          2HB       SER  44  11.132  -5.151 -10.022
  357    HG   SER  44           HG       SER  44   9.726  -3.352  -9.733
  358    H    THR  45           H        THR  45  13.158  -4.260  -7.042
  359    HA   THR  45           HA       THR  45  12.513  -4.215  -4.247
  360    HB   THR  45           HB       THR  45  14.249  -2.231  -4.499
  361    HG1  THR  45           HG1      THR  45  15.405  -2.471  -6.488
  362   1HG2  THR  45          1HG2      THR  45  14.970  -5.095  -5.292
  363   2HG2  THR  45          2HG2      THR  45  16.105  -3.865  -4.693
  364   3HG2  THR  45          3HG2      THR  45  14.826  -4.481  -3.631
  365    H    LEU  46           H        LEU  46  11.664  -2.437  -3.070
  366    HA   LEU  46           HA       LEU  46   9.267  -1.565  -3.991
  367   1HB   LEU  46          1HB       LEU  46   9.908  -1.606  -1.619
  368   2HB   LEU  46          2HB       LEU  46  11.090  -0.318  -1.893
  369    HG   LEU  46           HG       LEU  46   9.246   1.273  -2.412
  370   1HD1  LEU  46          1HD1      LEU  46   7.442  -1.058  -1.592
  371   2HD1  LEU  46          2HD1      LEU  46   6.914   0.624  -1.796
  372   3HD1  LEU  46          3HD1      LEU  46   7.491  -0.290  -3.194
  373   1HD2  LEU  46          1HD2      LEU  46  10.191   1.102  -0.155
  374   2HD2  LEU  46          2HD2      LEU  46   8.463   1.485  -0.094
  375   3HD2  LEU  46          3HD2      LEU  46   9.019  -0.171   0.251
  376    H    ASP  47           H        ASP  47  12.240   0.373  -4.025
  377    HA   ASP  47           HA       ASP  47  11.146   2.757  -5.050
  378   1HB   ASP  47          1HB       ASP  47  13.910   1.536  -5.498
  379   2HB   ASP  47          2HB       ASP  47  13.460   3.219  -5.784
  380    H    GLU  48           H        GLU  48  12.669   0.066  -6.800
  381    HA   GLU  48           HA       GLU  48  12.194   1.061  -9.425
  382   1HB   GLU  48          1HB       GLU  48  12.445  -1.807  -8.431
  383   2HB   GLU  48          2HB       GLU  48  12.505  -1.315 -10.131
  384   1HG   GLU  48          1HG       GLU  48  14.475  -0.485  -7.942
  385   2HG   GLU  48          2HG       GLU  48  14.767  -1.669  -9.219
  386    H    LEU  49           H        LEU  49  10.256  -1.084  -7.355
  387    HA   LEU  49           HA       LEU  49   8.105  -1.523  -9.113
  388   1HB   LEU  49          1HB       LEU  49   8.494  -2.602  -6.826
  389   2HB   LEU  49          2HB       LEU  49   7.893  -1.108  -6.112
  390    HG   LEU  49           HG       LEU  49   5.805  -1.544  -7.743
  391   1HD1  LEU  49          1HD1      LEU  49   6.932  -4.335  -7.256
  392   2HD1  LEU  49          2HD1      LEU  49   5.327  -3.959  -7.919
  393   3HD1  LEU  49          3HD1      LEU  49   6.786  -3.531  -8.830
  394   1HD2  LEU  49          3HD2      LEU  49   6.356  -2.851  -5.067
  395   2HD2  LEU  49          1HD2      LEU  49   5.582  -1.292  -5.380
  396   3HD2  LEU  49          2HD2      LEU  49   4.750  -2.790  -5.832
  397    H    PHE  50           H        PHE  50   8.554   1.073  -6.725
  398    HA   PHE  50           HA       PHE  50   6.157   2.481  -7.137
  399   1HB   PHE  50          1HB       PHE  50   7.786   2.815  -5.299
  400   2HB   PHE  50          2HB       PHE  50   8.916   3.549  -6.416
  401    HD1  PHE  50           HD1      PHE  50   5.668   3.964  -4.724
  402    HD2  PHE  50           HD2      PHE  50   8.656   5.876  -7.150
  403    HE1  PHE  50           HE1      PHE  50   5.019   6.149  -3.778
  404    HE2  PHE  50           HE2      PHE  50   8.105   8.059  -6.112
  405    HZ   PHE  50           HZ       PHE  50   6.323   8.202  -4.389
  406    H    GLU  51           H        GLU  51   9.356   2.987  -8.729
  407    HA   GLU  51           HA       GLU  51   8.436   4.976 -10.551
  408   1HB   GLU  51          1HB       GLU  51  10.693   2.925 -10.746
  409   2HB   GLU  51          2HB       GLU  51  10.312   4.052 -12.047
  410   1HG   GLU  51          1HG       GLU  51  12.016   5.147 -10.947
  411   2HG   GLU  51          2HG       GLU  51  10.568   5.968 -10.367
  412    H    GLU  52           H        GLU  52   8.576   1.445 -10.930
  413    HA   GLU  52           HA       GLU  52   7.548   1.330 -13.569
  414   1HB   GLU  52          1HB       GLU  52   7.357  -0.671 -11.291
  415   2HB   GLU  52          2HB       GLU  52   6.799  -1.012 -12.930
  416   1HG   GLU  52          1HG       GLU  52   8.998  -0.784 -13.855
  417   2HG   GLU  52          2HG       GLU  52   9.660  -0.129 -12.359
  418    H    LEU  53           H        LEU  53   5.783   1.467 -10.477
  419    HA   LEU  53           HA       LEU  53   3.179   1.212 -11.686
  420   1HB   LEU  53          1HB       LEU  53   4.052   2.405  -9.024
  421   2HB   LEU  53          2HB       LEU  53   2.394   2.100  -9.528
  422    HG   LEU  53           HG       LEU  53   4.509  -0.030  -9.066
  423   1HD1  LEU  53          3HD1      LEU  53   3.654   1.044  -7.009
  424   2HD1  LEU  53          1HD1      LEU  53   1.991   0.666  -7.511
  425   3HD1  LEU  53          2HD1      LEU  53   3.132  -0.644  -7.141
  426   1HD2  LEU  53          3HD2      LEU  53   1.610  -0.335  -9.880
  427   2HD2  LEU  53          1HD2      LEU  53   3.050  -0.803 -10.823
  428   3HD2  LEU  53          2HD2      LEU  53   2.686  -1.649  -9.330
  429    H    ASP  54           H        ASP  54   5.037   4.035 -10.531
  430    HA   ASP  54           HA       ASP  54   3.004   5.855 -11.584
  431   1HB   ASP  54          1HB       ASP  54   4.250   6.379  -9.547
  432   2HB   ASP  54          2HB       ASP  54   5.748   6.451 -10.465
  433    H    LYS  55           H        LYS  55   3.039   4.896 -13.745
  434    HA   LYS  55           HA       LYS  55   5.239   5.281 -15.527
  435   1HB   LYS  55          1HB       LYS  55   2.294   5.255 -16.139
  436   2HB   LYS  55          2HB       LYS  55   3.635   5.262 -17.305
  437   1HG   LYS  55          1HG       LYS  55   3.123   3.065 -15.234
  438   2HG   LYS  55          2HG       LYS  55   2.703   3.008 -16.955
  439   1HD   LYS  55          1HD       LYS  55   5.244   3.473 -17.385
  440   2HD   LYS  55          2HD       LYS  55   5.459   2.978 -15.695
  441   1HE   LYS  55          1HE       LYS  55   4.263   1.328 -17.971
  442   2HE   LYS  55          2HE       LYS  55   5.814   1.070 -17.152
  443   1HZ   LYS  55          3HZ       LYS  55   4.562   0.693 -15.121
  444   2HZ   LYS  55          1HZ       LYS  55   3.149   0.810 -15.955
  445   3HZ   LYS  55          2HZ       LYS  55   4.202  -0.412 -16.298
  446    H    ASN  56           H        ASN  56   6.032   7.169 -14.980
  447    HA   ASN  56           HA       ASN  56   6.544   9.358 -14.976
  448   1HB   ASN  56          1HB       ASN  56   7.009  10.251 -16.981
  449   2HB   ASN  56          2HB       ASN  56   6.897   8.538 -17.373
  450   1HD2  ASN  56          1HD2      ASN  56   3.563   9.465 -19.029
  451   2HD2  ASN  56          2HD2      ASN  56   3.884   8.629 -17.519
  452    H    GLY  57           H        GLY  57   4.410   9.206 -13.463
  453   1HA   GLY  57          1HA       GLY  57   2.550  11.415 -14.206
  454   2HA   GLY  57          2HA       GLY  57   2.467  10.362 -12.784
  455    H    ASP  58           H        ASP  58   3.731  10.823 -10.971
  456    HA   ASP  58           HA       ASP  58   5.501  13.201 -10.984
  457   1HB   ASP  58          1HB       ASP  58   4.448  13.840  -8.970
  458   2HB   ASP  58          2HB       ASP  58   3.179  13.687 -10.193
  459    H    GLY  59           H        GLY  59   4.531  10.122  -9.385
  460   1HA   GLY  59          1HA       GLY  59   6.797   8.935  -8.672
  461   2HA   GLY  59          2HA       GLY  59   6.769  10.266  -7.492
  462    H    GLU  60           H        GLU  60   4.324  10.631  -6.606
  463    HA   GLU  60           HA       GLU  60   3.902   8.154  -5.109
  464   1HB   GLU  60          1HB       GLU  60   2.479  10.836  -4.926
  465   2HB   GLU  60          2HB       GLU  60   2.315   9.459  -3.809
  466   1HG   GLU  60          1HG       GLU  60   4.795   9.611  -3.374
  467   2HG   GLU  60          2HG       GLU  60   4.811  11.126  -4.294
  468    H    VAL  61           H        VAL  61   2.191   6.782  -5.273
  469    HA   VAL  61           HA       VAL  61   1.229   6.703  -8.037
  470    HB   VAL  61           HB       VAL  61   1.041   4.523  -5.948
  471   1HG1  VAL  61          3HG1      VAL  61  -0.200   4.266  -8.137
  472   2HG1  VAL  61          1HG1      VAL  61   1.369   4.401  -8.975
  473   3HG1  VAL  61          2HG1      VAL  61   1.055   3.051  -7.862
  474   1HG2  VAL  61          3HG2      VAL  61   3.380   5.275  -7.757
  475   2HG2  VAL  61          1HG2      VAL  61   3.399   5.164  -5.988
  476   3HG2  VAL  61          2HG2      VAL  61   3.215   3.705  -6.963
  477    H    SER  62           H        SER  62  -0.722   7.657  -8.470
  478    HA   SER  62           HA       SER  62  -2.986   7.423  -6.623
  479   1HB   SER  62          1HB       SER  62  -2.682   8.636  -9.377
  480   2HB   SER  62          2HB       SER  62  -4.246   8.500  -8.551
  481    HG   SER  62           HG       SER  62  -3.386   9.625  -6.794
  482    H    PHE  63           H        PHE  63  -5.074   6.518  -7.295
  483    HA   PHE  63           HA       PHE  63  -4.817   3.821  -7.431
  484   1HB   PHE  63          1HB       PHE  63  -6.806   4.987  -6.596
  485   2HB   PHE  63          2HB       PHE  63  -7.286   5.380  -8.249
  486    HD1  PHE  63           HD1      PHE  63  -6.306   2.399  -6.154
  487    HD2  PHE  63           HD2      PHE  63  -8.806   3.873  -9.341
  488    HE1  PHE  63           HE1      PHE  63  -7.514   0.247  -6.195
  489    HE2  PHE  63           HE2      PHE  63  -9.967   1.682  -9.423
  490    HZ   PHE  63           HZ       PHE  63  -9.350  -0.124  -7.801
  491    H    GLU  64           H        GLU  64  -5.361   5.931 -10.227
  492    HA   GLU  64           HA       GLU  64  -6.046   3.839 -12.042
  493   1HB   GLU  64          1HB       GLU  64  -4.847   6.615 -12.556
  494   2HB   GLU  64          2HB       GLU  64  -5.466   5.527 -13.799
  495   1HG   GLU  64          1HG       GLU  64  -7.162   7.174 -13.276
  496   2HG   GLU  64          2HG       GLU  64  -7.713   5.571 -12.778
  497    H    GLU  65           H        GLU  65  -2.945   5.597 -11.609
  498    HA   GLU  65           HA       GLU  65  -1.437   3.816 -13.273
  499   1HB   GLU  65          1HB       GLU  65   0.553   4.890 -12.195
  500   2HB   GLU  65          2HB       GLU  65  -0.582   5.953 -13.026
  501   1HG   GLU  65          1HG       GLU  65  -1.573   6.610 -10.807
  502   2HG   GLU  65          2HG       GLU  65  -0.361   5.595 -10.018
  503    H    PHE  66           H        PHE  66  -2.167   3.754  -9.785
  504    HA   PHE  66           HA       PHE  66  -0.632   1.513  -8.982
  505   1HB   PHE  66          1HB       PHE  66  -1.784   2.773  -7.344
  506   2HB   PHE  66          2HB       PHE  66  -3.265   2.653  -8.262
  507    HD1  PHE  66           HD1      PHE  66  -1.024   0.670  -6.046
  508    HD2  PHE  66           HD2      PHE  66  -4.830   0.964  -7.999
  509    HE1  PHE  66           HE1      PHE  66  -1.956  -1.074  -4.521
  510    HE2  PHE  66           HE2      PHE  66  -5.662  -0.998  -6.758
  511    HZ   PHE  66           HZ       PHE  66  -4.283  -1.884  -4.836
  512    H    GLN  67           H        GLN  67  -3.502   1.591 -11.144
  513    HA   GLN  67           HA       GLN  67  -4.112  -1.158 -10.934
  514   1HB   GLN  67          1HB       GLN  67  -4.281   0.483 -13.487
  515   2HB   GLN  67          2HB       GLN  67  -5.007  -1.092 -13.193
  516   1HG   GLN  67          1HG       GLN  67  -5.808   1.520 -11.904
  517   2HG   GLN  67          2HG       GLN  67  -6.753   0.478 -12.959
  518   1HE2  GLN  67          1HE2      GLN  67  -6.713  -0.085  -8.930
  519   2HE2  GLN  67          2HE2      GLN  67  -5.967   1.269  -9.756
  520    H    VAL  68           H        VAL  68  -1.216   0.267 -12.316
  521    HA   VAL  68           HA       VAL  68  -0.404  -1.953 -13.919
  522    HB   VAL  68           HB       VAL  68   1.211   0.017 -12.271
  523   1HG1  VAL  68          1HG1      VAL  68   2.150  -1.878 -14.476
  524   2HG1  VAL  68          2HG1      VAL  68   3.127  -0.614 -13.699
  525   3HG1  VAL  68          3HG1      VAL  68   2.591  -2.008 -12.764
  526   1HG2  VAL  68          1HG2      VAL  68  -0.173   1.010 -14.139
  527   2HG2  VAL  68          2HG2      VAL  68   1.568   1.162 -14.398
  528   3HG2  VAL  68          3HG2      VAL  68   0.644  -0.081 -15.269
  529    H    LEU  69           H        LEU  69  -0.508  -1.510 -10.376
  530    HA   LEU  69           HA       LEU  69   1.060  -3.905  -9.831
  531   1HB   LEU  69          1HB       LEU  69   0.746  -1.934  -8.201
  532   2HB   LEU  69          2HB       LEU  69  -0.928  -2.438  -8.035
  533    HG   LEU  69           HG       LEU  69  -0.068  -4.721  -7.262
  534   1HD1  LEU  69          1HD1      LEU  69   2.554  -3.170  -7.070
  535   2HD1  LEU  69          2HD1      LEU  69   2.236  -4.750  -6.328
  536   3HD1  LEU  69          3HD1      LEU  69   2.262  -4.599  -8.087
  537   1HD2  LEU  69          3HD2      LEU  69   0.617  -2.252  -5.618
  538   2HD2  LEU  69          1HD2      LEU  69  -0.969  -3.052  -5.724
  539   3HD2  LEU  69          2HD2      LEU  69   0.395  -3.898  -4.982
  540    H    VAL  70           H        VAL  70  -2.390  -2.954  -9.799
  541    HA   VAL  70           HA       VAL  70  -3.542  -5.392  -9.056
  542    HB   VAL  70           HB       VAL  70  -4.632  -3.327 -11.028
  543   1HG1  VAL  70          3HG1      VAL  70  -5.956  -5.398 -11.111
  544   2HG1  VAL  70          1HG1      VAL  70  -6.146  -5.339  -9.347
  545   3HG1  VAL  70          2HG1      VAL  70  -6.854  -4.074 -10.362
  546   1HG2  VAL  70          3HG2      VAL  70  -4.812  -3.530  -7.984
  547   2HG2  VAL  70          1HG2      VAL  70  -4.046  -2.233  -8.899
  548   3HG2  VAL  70          2HG2      VAL  70  -5.799  -2.436  -8.967
  549    H    LYS  71           H        LYS  71  -2.558  -4.303 -12.319
  550    HA   LYS  71           HA       LYS  71  -3.325  -6.545 -13.803
  551   1HB   LYS  71          1HB       LYS  71  -2.461  -4.541 -14.877
  552   2HB   LYS  71          2HB       LYS  71  -0.937  -4.693 -14.032
  553   1HG   LYS  71          1HG       LYS  71  -0.697  -5.352 -16.355
  554   2HG   LYS  71          2HG       LYS  71  -0.288  -6.638 -15.229
  555   1HD   LYS  71          1HD       LYS  71  -1.456  -7.547 -17.121
  556   2HD   LYS  71          2HD       LYS  71  -2.475  -7.771 -15.709
  557   1HE   LYS  71          1HE       LYS  71  -2.825  -5.405 -17.622
  558   2HE   LYS  71          2HE       LYS  71  -3.550  -6.988 -17.934
  559   1HZ   LYS  71          3HZ       LYS  71  -4.706  -6.847 -15.873
  560   2HZ   LYS  71          1HZ       LYS  71  -4.082  -5.356 -15.564
  561   3HZ   LYS  71          2HZ       LYS  71  -5.081  -5.577 -16.851
  562    H    LYS  72           H        LYS  72  -0.177  -6.055 -12.207
  563    HA   LYS  72           HA       LYS  72   0.803  -8.691 -12.664
  564   1HB   LYS  72          1HB       LYS  72   1.515  -6.600 -10.575
  565   2HB   LYS  72          2HB       LYS  72   2.156  -8.238 -10.495
  566   1HG   LYS  72          1HG       LYS  72   3.812  -7.062 -11.597
  567   2HG   LYS  72          2HG       LYS  72   3.003  -8.003 -12.854
  568   1HD   LYS  72          1HD       LYS  72   1.726  -5.909 -13.502
  569   2HD   LYS  72          2HD       LYS  72   2.573  -5.050 -12.203
  570   1HE   LYS  72          1HE       LYS  72   3.625  -4.551 -14.331
  571   2HE   LYS  72          2HE       LYS  72   4.746  -5.469 -13.312
  572   1HZ   LYS  72          1HZ       LYS  72   3.095  -6.583 -15.477
  573   2HZ   LYS  72          2HZ       LYS  72   4.706  -6.250 -15.570
  574   3HZ   LYS  72          3HZ       LYS  72   4.168  -7.426 -14.553
  575    H    ILE  73           H        ILE  73  -1.145  -7.452  -9.966
  576    HA   ILE  73           HA       ILE  73  -1.203  -9.923  -8.496
  577    HB   ILE  73           HB       ILE  73  -3.333  -7.749  -8.598
  578   1HG1  ILE  73          1HG1      ILE  73  -0.977  -8.193  -6.705
  579   2HG1  ILE  73          2HG1      ILE  73  -1.162  -6.878  -7.869
  580   1HG2  ILE  73          3HG2      ILE  73  -4.208  -9.901  -7.692
  581   2HG2  ILE  73          1HG2      ILE  73  -2.882  -9.924  -6.514
  582   3HG2  ILE  73          2HG2      ILE  73  -4.130  -8.659  -6.466
  583   1HD1  ILE  73          3HD1      ILE  73  -3.204  -6.109  -6.636
  584   2HD1  ILE  73          1HD1      ILE  73  -2.792  -7.280  -5.354
  585   3HD1  ILE  73          2HD1      ILE  73  -1.675  -5.973  -5.745
  586    H    SER  74           H        SER  74  -3.063  -8.738 -11.244
  587    HA   SER  74           HA       SER  74  -4.553  -9.651 -12.644
  588   1HB   SER  74          1HB       SER  74  -2.779 -11.330 -13.011
  589   2HB   SER  74          2HB       SER  74  -3.466 -12.351 -11.729
  590    HG   SER  74           HG       SER  74  -5.440 -12.322 -12.937
  591    H    GLN  75           H        GLN  75  -5.295  -8.946  -9.954
  592    HA   GLN  75           HA       GLN  75  -7.955  -9.794  -9.910
  593   1HB   GLN  75          1HB       GLN  75  -6.543 -11.861  -8.814
  594   2HB   GLN  75          2HB       GLN  75  -6.461 -10.771  -7.447
  595   1HG   GLN  75          1HG       GLN  75  -8.330 -12.308  -7.209
  596   2HG   GLN  75          2HG       GLN  75  -8.937 -10.660  -7.373
  597   1HE2  GLN  75          1HE2      GLN  75  -9.432 -12.560 -10.952
  598   2HE2  GLN  75          2HE2      GLN  75  -7.819 -12.152 -10.410
   
  No H/Q in entry =         598
  Start of MODEL           9
 Raw file had  599 H/Q atoms
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -8.150 -11.017  -5.513
    2   2H    LYS   1          2H        LYS   1  -6.890  -9.989  -5.085
    3   3H    LYS   1          3H        LYS   1  -7.483 -11.101  -3.972
    4    HA   LYS   1           HA       LYS   1  -9.573  -9.989  -3.867
    5   1HB   LYS   1          1HB       LYS   1  -7.216  -8.112  -3.486
    6   2HB   LYS   1          2HB       LYS   1  -8.838  -7.973  -2.782
    7   1HG   LYS   1          1HG       LYS   1  -8.317 -10.512  -2.028
    8   2HG   LYS   1          2HG       LYS   1  -6.650  -9.952  -2.144
    9   1HD   LYS   1          1HD       LYS   1  -8.908  -8.664  -0.533
   10   2HD   LYS   1          2HD       LYS   1  -7.679  -9.750   0.133
   11   1HE   LYS   1          1HE       LYS   1  -5.886  -8.153  -0.498
   12   2HE   LYS   1          2HE       LYS   1  -7.101  -7.027  -1.137
   13   1HZ   LYS   1          1HZ       LYS   1  -6.976  -7.977   1.638
   14   2HZ   LYS   1          2HZ       LYS   1  -6.411  -6.529   1.121
   15   3HZ   LYS   1          3HZ       LYS   1  -8.026  -6.858   1.038
   16    H    SER   2           H        SER   2 -11.043  -8.605  -4.774
   17    HA   SER   2           HA       SER   2 -10.813  -8.146  -7.549
   18   1HB   SER   2          1HB       SER   2 -12.973  -6.916  -7.267
   19   2HB   SER   2          2HB       SER   2 -12.973  -8.458  -6.403
   20    HG   SER   2           HG       SER   2 -12.699  -7.400  -4.503
   21    HA   PRO   3           HA       PRO   3  -9.000  -4.029  -7.919
   22   1HB   PRO   3          1HB       PRO   3 -11.525  -3.400  -9.474
   23   2HB   PRO   3          2HB       PRO   3  -9.839  -2.945  -9.859
   24   1HG   PRO   3          1HG       PRO   3 -10.980  -5.057 -11.123
   25   2HG   PRO   3          2HG       PRO   3  -9.314  -5.208 -10.488
   26   1HD   PRO   3          1HD       PRO   3 -11.875  -6.219  -9.251
   27   2HD   PRO   3          2HD       PRO   3 -10.285  -7.028  -9.408
   28    H    GLU   4           H        GLU   4 -12.472  -4.400  -7.100
   29    HA   GLU   4           HA       GLU   4 -12.864  -1.871  -5.853
   30   1HB   GLU   4          1HB       GLU   4 -14.241  -4.553  -5.384
   31   2HB   GLU   4          2HB       GLU   4 -14.817  -2.983  -4.807
   32   1HG   GLU   4          1HG       GLU   4 -15.043  -2.172  -7.123
   33   2HG   GLU   4          2HG       GLU   4 -14.430  -3.709  -7.754
   34    H    GLU   5           H        GLU   5 -12.021  -5.059  -4.493
   35    HA   GLU   5           HA       GLU   5 -11.774  -4.202  -1.751
   36   1HB   GLU   5          1HB       GLU   5 -10.516  -6.477  -3.343
   37   2HB   GLU   5          2HB       GLU   5 -10.165  -6.218  -1.631
   38   1HG   GLU   5          1HG       GLU   5 -12.410  -6.597  -0.961
   39   2HG   GLU   5          2HG       GLU   5 -13.030  -6.464  -2.608
   40    H    LEU   6           H        LEU   6  -9.484  -4.442  -4.427
   41    HA   LEU   6           HA       LEU   6  -7.208  -3.423  -3.067
   42   1HB   LEU   6          1HB       LEU   6  -8.016  -3.582  -5.976
   43   2HB   LEU   6          2HB       LEU   6  -6.483  -2.932  -5.467
   44    HG   LEU   6           HG       LEU   6  -7.562  -5.745  -4.833
   45   1HD1  LEU   6          3HD1      LEU   6  -6.818  -5.371  -7.213
   46   2HD1  LEU   6          1HD1      LEU   6  -5.179  -5.034  -6.568
   47   3HD1  LEU   6          2HD1      LEU   6  -5.918  -6.623  -6.335
   48   1HD2  LEU   6          3HD2      LEU   6  -4.922  -4.418  -4.117
   49   2HD2  LEU   6          1HD2      LEU   6  -6.076  -5.219  -3.011
   50   3HD2  LEU   6          2HD2      LEU   6  -5.149  -6.175  -4.154
   51    H    LYS   7           H        LYS   7  -9.779  -1.663  -4.806
   52    HA   LYS   7           HA       LYS   7  -8.626   0.911  -4.451
   53   1HB   LYS   7          1HB       LYS   7 -10.704   0.079  -5.835
   54   2HB   LYS   7          2HB       LYS   7 -11.588   0.320  -4.345
   55   1HG   LYS   7          1HG       LYS   7 -10.166   2.329  -6.141
   56   2HG   LYS   7          2HG       LYS   7 -11.881   2.237  -5.743
   57   1HD   LYS   7          1HD       LYS   7 -11.221   2.881  -3.345
   58   2HD   LYS   7          2HD       LYS   7  -9.572   3.123  -3.973
   59   1HE   LYS   7          1HE       LYS   7 -10.566   5.278  -3.966
   60   2HE   LYS   7          2HE       LYS   7 -10.508   4.760  -5.654
   61   1HZ   LYS   7          1HZ       LYS   7 -12.846   4.624  -3.871
   62   2HZ   LYS   7          2HZ       LYS   7 -12.607   5.731  -5.066
   63   3HZ   LYS   7          3HZ       LYS   7 -12.826   4.143  -5.448
   64    H    GLY   8           H        GLY   8 -10.788  -1.020  -2.387
   65   1HA   GLY   8          1HA       GLY   8 -11.129   0.808  -0.242
   66   2HA   GLY   8          2HA       GLY   8 -11.133  -0.960  -0.091
   67    H    ILE   9           H        ILE   9  -8.697  -1.750  -0.667
   68    HA   ILE   9           HA       ILE   9  -6.975  -1.266   1.537
   69    HB   ILE   9           HB       ILE   9  -6.601  -2.462  -1.167
   70   1HG1  ILE   9          1HG1      ILE   9  -8.150  -3.451   0.501
   71   2HG1  ILE   9          2HG1      ILE   9  -6.815  -4.522   0.035
   72   1HG2  ILE   9          1HG2      ILE   9  -4.553  -2.352   1.050
   73   2HG2  ILE   9          2HG2      ILE   9  -4.516  -3.475  -0.330
   74   3HG2  ILE   9          3HG2      ILE   9  -4.407  -1.733  -0.602
   75   1HD1  ILE   9          3HD1      ILE   9  -5.745  -3.819   2.285
   76   2HD1  ILE   9          1HD1      ILE   9  -7.295  -3.056   2.672
   77   3HD1  ILE   9          2HD1      ILE   9  -7.223  -4.784   2.378
   78    H    PHE  10           H        PHE  10  -6.732  -0.056  -1.849
   79    HA   PHE  10           HA       PHE  10  -4.469   1.526  -1.606
   80   1HB   PHE  10          1HB       PHE  10  -5.670   1.005  -3.721
   81   2HB   PHE  10          2HB       PHE  10  -6.981   2.050  -3.237
   82    HD1  PHE  10           HD1      PHE  10  -6.630   4.529  -2.956
   83    HD2  PHE  10           HD2      PHE  10  -3.684   1.928  -4.755
   84    HE1  PHE  10           HE1      PHE  10  -5.376   6.468  -3.727
   85    HE2  PHE  10           HE2      PHE  10  -2.495   3.927  -5.647
   86    HZ   PHE  10           HZ       PHE  10  -3.291   6.193  -5.047
   87    H    GLU  11           H        GLU  11  -7.884   2.445  -0.924
   88    HA   GLU  11           HA       GLU  11  -7.278   5.134  -0.092
   89   1HB   GLU  11          1HB       GLU  11  -9.634   3.303   0.503
   90   2HB   GLU  11          2HB       GLU  11  -9.536   4.989   1.035
   91   1HG   GLU  11          1HG       GLU  11  -9.326   5.773  -1.274
   92   2HG   GLU  11          2HG       GLU  11  -9.328   4.112  -1.871
   93    H    LYS  12           H        LYS  12  -7.878   2.140   1.793
   94    HA   LYS  12           HA       LYS  12  -7.579   3.029   4.394
   95   1HB   LYS  12          1HB       LYS  12  -8.196   0.790   4.027
   96   2HB   LYS  12          2HB       LYS  12  -6.786   0.438   3.026
   97   1HG   LYS  12          1HG       LYS  12  -5.274   0.432   4.826
   98   2HG   LYS  12          2HG       LYS  12  -6.510   1.076   5.957
   99   1HD   LYS  12          1HD       LYS  12  -7.860  -1.064   5.402
  100   2HD   LYS  12          2HD       LYS  12  -6.384  -1.675   4.637
  101   1HE   LYS  12          1HE       LYS  12  -6.736  -0.823   7.555
  102   2HE   LYS  12          2HE       LYS  12  -6.598  -2.485   6.958
  103   1HZ   LYS  12          1HZ       LYS  12  -4.505  -0.439   6.745
  104   2HZ   LYS  12          2HZ       LYS  12  -4.548  -1.657   7.852
  105   3HZ   LYS  12          3HZ       LYS  12  -4.376  -2.008   6.255
  106    H    TYR  13           H        TYR  13  -4.937   2.066   2.170
  107    HA   TYR  13           HA       TYR  13  -2.925   2.795   4.173
  108   1HB   TYR  13          1HB       TYR  13  -2.760   1.774   1.350
  109   2HB   TYR  13          2HB       TYR  13  -1.344   2.281   2.275
  110    HD1  TYR  13           HD1      TYR  13  -0.875   1.278   4.510
  111    HD2  TYR  13           HD2      TYR  13  -4.003  -0.279   2.068
  112    HE1  TYR  13           HE1      TYR  13  -0.960  -0.789   5.905
  113    HE2  TYR  13           HE2      TYR  13  -4.013  -2.381   3.280
  114    HH   TYR  13           HH       TYR  13  -1.867  -2.935   6.092
  115    H    ALA  14           H        ALA  14  -3.923   4.178   1.038
  116    HA   ALA  14           HA       ALA  14  -2.162   6.361   0.912
  117   1HB   ALA  14          3HB       ALA  14  -3.651   5.736  -0.925
  118   2HB   ALA  14          1HB       ALA  14  -5.062   6.257   0.019
  119   3HB   ALA  14          2HB       ALA  14  -3.839   7.438  -0.495
  120    H    ALA  15           H        ALA  15  -5.430   6.403   2.266
  121    HA   ALA  15           HA       ALA  15  -5.461   9.052   3.204
  122   1HB   ALA  15          3HB       ALA  15  -7.455   7.565   2.952
  123   2HB   ALA  15          1HB       ALA  15  -6.903   6.636   4.369
  124   3HB   ALA  15          2HB       ALA  15  -7.374   8.337   4.551
  125    H    LYS  16           H        LYS  16  -3.722   6.320   4.554
  126    HA   LYS  16           HA       LYS  16  -3.836   7.074   7.284
  127   1HB   LYS  16          1HB       LYS  16  -3.054   4.888   6.094
  128   2HB   LYS  16          2HB       LYS  16  -1.467   5.679   6.008
  129   1HG   LYS  16          1HG       LYS  16  -1.658   6.006   8.544
  130   2HG   LYS  16          2HG       LYS  16  -3.112   5.004   8.489
  131   1HD   LYS  16          1HD       LYS  16  -0.248   4.227   7.803
  132   2HD   LYS  16          2HD       LYS  16  -1.244   3.600   9.119
  133   1HE   LYS  16          1HE       LYS  16  -1.561   3.079   6.130
  134   2HE   LYS  16          2HE       LYS  16  -1.092   1.921   7.376
  135   1HZ   LYS  16          3HZ       LYS  16  -3.278   2.163   8.335
  136   2HZ   LYS  16          1HZ       LYS  16  -3.719   3.213   7.140
  137   3HZ   LYS  16          2HZ       LYS  16  -3.361   1.653   6.767
  138    H    GLU  17           H        GLU  17  -2.106   8.411   4.547
  139    HA   GLU  17           HA       GLU  17  -0.975  10.501   6.236
  140   1HB   GLU  17          1HB       GLU  17   0.706   8.731   6.497
  141   2HB   GLU  17          2HB       GLU  17   0.889   8.607   4.752
  142   1HG   GLU  17          1HG       GLU  17   1.469  11.141   6.356
  143   2HG   GLU  17          2HG       GLU  17   2.680   9.897   6.026
  144    H    GLY  18           H        GLY  18  -1.139   9.029   3.006
  145   1HA   GLY  18          1HA       GLY  18  -0.493  11.572   1.654
  146   2HA   GLY  18          2HA       GLY  18  -0.849  10.000   0.914
  147    H    ASP  19           H        ASP  19  -2.092  12.023  -0.259
  148    HA   ASP  19           HA       ASP  19  -4.744  12.565   0.757
  149   1HB   ASP  19          1HB       ASP  19  -3.725  13.920  -1.034
  150   2HB   ASP  19          2HB       ASP  19  -3.623  12.501  -2.086
  151    HA   PRO  20           HA       PRO  20  -6.307   8.412   0.395
  152   1HB   PRO  20          1HB       PRO  20  -8.904   8.865  -0.614
  153   2HB   PRO  20          2HB       PRO  20  -8.397   8.879   1.098
  154   1HG   PRO  20          1HG       PRO  20  -8.680  11.214  -0.797
  155   2HG   PRO  20          2HG       PRO  20  -9.211  11.107   0.909
  156   1HD   PRO  20          1HD       PRO  20  -6.953  12.383   0.306
  157   2HD   PRO  20          2HD       PRO  20  -6.937  11.258   1.686
  158    H    ASN  21           H        ASN  21  -6.392  10.483  -2.472
  159    HA   ASN  21           HA       ASN  21  -6.880   8.283  -4.343
  160   1HB   ASN  21          1HB       ASN  21  -6.136  11.194  -4.714
  161   2HB   ASN  21          2HB       ASN  21  -6.648  10.094  -5.994
  162   1HD2  ASN  21          1HD2      ASN  21  -9.439  11.902  -3.664
  163   2HD2  ASN  21          2HD2      ASN  21  -7.719  12.118  -3.353
  164    H    GLN  22           H        GLN  22  -4.132   9.125  -2.616
  165    HA   GLN  22           HA       GLN  22  -2.238   8.321  -4.781
  166   1HB   GLN  22          1HB       GLN  22  -2.522  10.705  -4.924
  167   2HB   GLN  22          2HB       GLN  22  -2.298  10.883  -3.187
  168   1HG   GLN  22          1HG       GLN  22   0.015   9.496  -4.298
  169   2HG   GLN  22          2HG       GLN  22  -0.338  10.913  -5.279
  170   1HE2  GLN  22          1HE2      GLN  22   0.561  11.547  -1.288
  171   2HE2  GLN  22          2HE2      GLN  22  -0.440  10.157  -1.706
  172    H    LEU  23           H        LEU  23  -0.997   6.668  -4.000
  173    HA   LEU  23           HA       LEU  23  -0.387   6.399  -1.132
  174   1HB   LEU  23          1HB       LEU  23   0.292   4.775  -3.598
  175   2HB   LEU  23          2HB       LEU  23   0.822   4.403  -1.976
  176    HG   LEU  23           HG       LEU  23  -2.126   4.579  -2.688
  177   1HD1  LEU  23          3HD1      LEU  23  -0.972   2.868  -4.111
  178   2HD1  LEU  23          1HD1      LEU  23  -0.295   2.146  -2.639
  179   3HD1  LEU  23          2HD1      LEU  23  -2.043   2.112  -2.905
  180   1HD2  LEU  23          1HD2      LEU  23  -1.486   4.622  -0.265
  181   2HD2  LEU  23          2HD2      LEU  23  -2.414   3.181  -0.707
  182   3HD2  LEU  23          3HD2      LEU  23  -0.658   3.068  -0.477
  183    H    SER  24           H        SER  24   1.599   7.080  -0.281
  184    HA   SER  24           HA       SER  24   3.781   7.945  -2.050
  185   1HB   SER  24          1HB       SER  24   4.898   8.538  -0.040
  186   2HB   SER  24          2HB       SER  24   3.205   8.908   0.291
  187    HG   SER  24           HG       SER  24   3.724   7.668   1.987
  188    H    LYS  25           H        LYS  25   6.036   6.895  -1.265
  189    HA   LYS  25           HA       LYS  25   6.052   4.119  -1.946
  190   1HB   LYS  25          1HB       LYS  25   8.087   5.805  -0.385
  191   2HB   LYS  25          2HB       LYS  25   8.377   4.163  -0.969
  192   1HG   LYS  25          1HG       LYS  25   8.110   4.895  -3.285
  193   2HG   LYS  25          2HG       LYS  25   7.776   6.554  -2.742
  194   1HD   LYS  25          1HD       LYS  25  10.059   6.611  -1.677
  195   2HD   LYS  25          2HD       LYS  25  10.351   4.974  -2.285
  196   1HE   LYS  25          1HE       LYS  25  11.415   6.543  -3.787
  197   2HE   LYS  25          2HE       LYS  25  10.037   5.819  -4.633
  198   1HZ   LYS  25          1HZ       LYS  25  10.070   8.452  -3.320
  199   2HZ   LYS  25          2HZ       LYS  25  10.166   8.180  -4.942
  200   3HZ   LYS  25          3HZ       LYS  25   8.790   7.797  -4.125
  201    H    GLU  26           H        GLU  26   5.814   5.927   1.093
  202    HA   GLU  26           HA       GLU  26   6.325   3.671   2.799
  203   1HB   GLU  26          1HB       GLU  26   4.737   6.165   3.595
  204   2HB   GLU  26          2HB       GLU  26   5.689   5.083   4.607
  205   1HG   GLU  26          1HG       GLU  26   7.029   6.896   4.436
  206   2HG   GLU  26          2HG       GLU  26   7.738   5.895   3.163
  207    H    GLU  27           H        GLU  27   3.369   5.373   1.848
  208    HA   GLU  27           HA       GLU  27   1.593   3.518   3.117
  209   1HB   GLU  27          1HB       GLU  27   1.073   5.161   0.611
  210   2HB   GLU  27          2HB       GLU  27  -0.093   4.171   1.493
  211   1HG   GLU  27          1HG       GLU  27  -0.539   6.228   2.415
  212   2HG   GLU  27          2HG       GLU  27   0.538   5.528   3.615
  213    H    LEU  28           H        LEU  28   3.017   3.374  -0.262
  214    HA   LEU  28           HA       LEU  28   1.922   0.804  -0.788
  215   1HB   LEU  28          1HB       LEU  28   4.410   2.251  -1.731
  216   2HB   LEU  28          2HB       LEU  28   4.142   0.567  -2.210
  217    HG   LEU  28           HG       LEU  28   1.962   2.582  -2.422
  218   1HD1  LEU  28          1HD1      LEU  28   4.169   2.124  -4.447
  219   2HD1  LEU  28          2HD1      LEU  28   2.621   2.910  -4.824
  220   3HD1  LEU  28          3HD1      LEU  28   3.699   3.648  -3.628
  221   1HD2  LEU  28          1HD2      LEU  28   1.386   0.142  -2.814
  222   2HD2  LEU  28          2HD2      LEU  28   1.193   1.076  -4.302
  223   3HD2  LEU  28          3HD2      LEU  28   2.634   0.073  -4.069
  224    H    LYS  29           H        LYS  29   4.884   1.597   1.006
  225    HA   LYS  29           HA       LYS  29   5.718  -1.133   1.134
  226   1HB   LYS  29          1HB       LYS  29   7.040   0.957   1.785
  227   2HB   LYS  29          2HB       LYS  29   6.068   1.091   3.225
  228   1HG   LYS  29          1HG       LYS  29   6.862  -1.150   3.994
  229   2HG   LYS  29          2HG       LYS  29   7.865  -1.280   2.538
  230   1HD   LYS  29          1HD       LYS  29   9.088   0.790   3.219
  231   2HD   LYS  29          2HD       LYS  29   8.112   0.881   4.692
  232   1HE   LYS  29          1HE       LYS  29   9.978  -1.425   3.934
  233   2HE   LYS  29          2HE       LYS  29  10.347  -0.136   5.090
  234   1HZ   LYS  29          3HZ       LYS  29   8.502  -0.879   6.418
  235   2HZ   LYS  29          1HZ       LYS  29   8.185  -2.104   5.361
  236   3HZ   LYS  29          2HZ       LYS  29   9.604  -2.084   6.198
  237    H    LEU  30           H        LEU  30   3.796   0.807   3.360
  238    HA   LEU  30           HA       LEU  30   3.212  -1.328   5.175
  239   1HB   LEU  30          1HB       LEU  30   1.582   1.154   4.497
  240   2HB   LEU  30          2HB       LEU  30   1.258   0.109   5.888
  241    HG   LEU  30           HG       LEU  30   3.885   1.611   5.477
  242   1HD1  LEU  30          3HD1      LEU  30   1.986   3.167   5.748
  243   2HD1  LEU  30          1HD1      LEU  30   1.485   2.304   7.219
  244   3HD1  LEU  30          2HD1      LEU  30   3.036   3.171   7.175
  245   1HD2  LEU  30          3HD2      LEU  30   2.719   0.130   7.878
  246   2HD2  LEU  30          1HD2      LEU  30   4.156  -0.343   6.944
  247   3HD2  LEU  30          2HD2      LEU  30   4.179   1.137   7.906
  248    H    LEU  31           H        LEU  31   1.376  -0.202   2.374
  249    HA   LEU  31           HA       LEU  31  -0.762  -2.025   2.455
  250   1HB   LEU  31          1HB       LEU  31  -0.506  -0.074   0.956
  251   2HB   LEU  31          2HB       LEU  31   0.690  -0.939   0.005
  252    HG   LEU  31           HG       LEU  31  -2.137  -1.952   0.398
  253   1HD1  LEU  31          1HD1      LEU  31  -1.014  -0.128  -1.776
  254   2HD1  LEU  31          2HD1      LEU  31  -2.619  -0.877  -1.830
  255   3HD1  LEU  31          3HD1      LEU  31  -2.243   0.309  -0.571
  256   1HD2  LEU  31          3HD2      LEU  31   0.005  -2.544  -1.699
  257   2HD2  LEU  31          1HD2      LEU  31  -0.706  -3.695  -0.545
  258   3HD2  LEU  31          2HD2      LEU  31  -1.692  -3.044  -1.846
  259    H    LEU  32           H        LEU  32   2.356  -2.342   0.810
  260    HA   LEU  32           HA       LEU  32   1.961  -4.994  -0.187
  261   1HB   LEU  32          1HB       LEU  32   4.473  -3.424   0.571
  262   2HB   LEU  32          2HB       LEU  32   4.555  -5.025  -0.162
  263    HG   LEU  32           HG       LEU  32   3.090  -2.743  -1.532
  264   1HD1  LEU  32          3HD1      LEU  32   5.426  -2.019  -1.109
  265   2HD1  LEU  32          1HD1      LEU  32   6.025  -3.533  -1.821
  266   3HD1  LEU  32          2HD1      LEU  32   5.154  -2.352  -2.824
  267   1HD2  LEU  32          3HD2      LEU  32   4.389  -5.306  -2.539
  268   2HD2  LEU  32          1HD2      LEU  32   2.640  -5.034  -2.364
  269   3HD2  LEU  32          2HD2      LEU  32   3.570  -4.088  -3.539
  270    H    GLN  33           H        GLN  33   3.669  -3.836   2.766
  271    HA   GLN  33           HA       GLN  33   4.429  -6.324   3.746
  272   1HB   GLN  33          1HB       GLN  33   5.260  -4.156   4.564
  273   2HB   GLN  33          2HB       GLN  33   3.690  -3.805   5.302
  274   1HG   GLN  33          1HG       GLN  33   3.944  -5.644   6.871
  275   2HG   GLN  33          2HG       GLN  33   5.407  -6.212   6.053
  276   1HE2  GLN  33          1HE2      GLN  33   7.508  -3.655   7.447
  277   2HE2  GLN  33          2HE2      GLN  33   7.320  -4.699   6.043
  278    H    THR  34           H        THR  34   1.417  -4.558   4.438
  279    HA   THR  34           HA       THR  34   0.525  -6.620   6.280
  280    HB   THR  34           HB       THR  34  -1.380  -4.727   4.926
  281    HG1  THR  34           HG1      THR  34   0.435  -3.474   5.646
  282   1HG2  THR  34          3HG2      THR  34  -2.242  -6.434   6.532
  283   2HG2  THR  34          1HG2      THR  34  -1.157  -5.788   7.782
  284   3HG2  THR  34          2HG2      THR  34  -2.480  -4.795   7.151
  285    H    GLU  35           H        GLU  35  -0.424  -5.728   2.890
  286    HA   GLU  35           HA       GLU  35  -2.449  -7.834   2.902
  287   1HB   GLU  35          1HB       GLU  35  -1.703  -5.640   0.900
  288   2HB   GLU  35          2HB       GLU  35  -3.078  -6.737   0.771
  289   1HG   GLU  35          1HG       GLU  35  -2.496  -4.582   2.861
  290   2HG   GLU  35          2HG       GLU  35  -3.753  -4.586   1.635
  291    H    PHE  36           H        PHE  36   0.740  -7.291   1.524
  292    HA   PHE  36           HA       PHE  36   0.625  -9.939   0.192
  293   1HB   PHE  36          1HB       PHE  36   1.392  -7.348  -1.204
  294   2HB   PHE  36          2HB       PHE  36   1.432  -8.983  -1.858
  295    HD1  PHE  36           HD1      PHE  36  -0.823 -10.314  -1.897
  296    HD2  PHE  36           HD2      PHE  36  -0.524  -6.021  -1.651
  297    HE1  PHE  36           HE1      PHE  36  -2.973 -10.104  -3.115
  298    HE2  PHE  36           HE2      PHE  36  -2.647  -5.822  -3.005
  299    HZ   PHE  36           HZ       PHE  36  -3.852  -7.880  -3.699
  300    HA   PRO  37           HA       PRO  37   4.602  -8.712   2.379
  301   1HB   PRO  37          1HB       PRO  37   4.967 -11.086   3.770
  302   2HB   PRO  37          2HB       PRO  37   4.076  -9.662   4.375
  303   1HG   PRO  37          1HG       PRO  37   2.933 -12.134   3.069
  304   2HG   PRO  37          2HG       PRO  37   2.364 -11.304   4.546
  305   1HD   PRO  37          1HD       PRO  37   1.172 -10.902   2.152
  306   2HD   PRO  37          2HD       PRO  37   1.395  -9.528   3.261
  307    H    SER  38           H        SER  38   3.524 -11.515   0.510
  308    HA   SER  38           HA       SER  38   6.161 -12.540  -0.101
  309   1HB   SER  38          1HB       SER  38   4.009 -13.852  -0.315
  310   2HB   SER  38          2HB       SER  38   3.611 -12.867  -1.740
  311    HG   SER  38           HG       SER  38   5.757 -13.595  -2.536
  312    H    LEU  39           H        LEU  39   4.081  -9.953  -1.343
  313    HA   LEU  39           HA       LEU  39   5.750  -9.541  -3.734
  314   1HB   LEU  39          1HB       LEU  39   3.325  -8.137  -2.638
  315   2HB   LEU  39          2HB       LEU  39   4.180  -7.629  -4.105
  316    HG   LEU  39           HG       LEU  39   2.806 -10.313  -3.676
  317   1HD1  LEU  39          3HD1      LEU  39   1.264  -8.356  -4.035
  318   2HD1  LEU  39          1HD1      LEU  39   2.125  -7.982  -5.532
  319   3HD1  LEU  39          2HD1      LEU  39   1.223  -9.508  -5.377
  320   1HD2  LEU  39          3HD2      LEU  39   4.349  -9.243  -6.072
  321   2HD2  LEU  39          1HD2      LEU  39   4.645 -10.750  -5.172
  322   3HD2  LEU  39          2HD2      LEU  39   3.203 -10.598  -6.166
  323    H    LEU  40           H        LEU  40   5.264  -8.239  -0.476
  324    HA   LEU  40           HA       LEU  40   6.981  -5.979  -0.769
  325   1HB   LEU  40          1HB       LEU  40   5.671  -6.530   1.344
  326   2HB   LEU  40          2HB       LEU  40   6.843  -7.809   1.655
  327    HG   LEU  40           HG       LEU  40   8.663  -5.948   1.508
  328   1HD1  LEU  40          3HD1      LEU  40   7.179  -4.156   0.599
  329   2HD1  LEU  40          1HD1      LEU  40   6.209  -4.234   2.086
  330   3HD1  LEU  40          2HD1      LEU  40   7.903  -3.713   2.150
  331   1HD2  LEU  40          3HD2      LEU  40   6.712  -6.034   3.830
  332   2HD2  LEU  40          1HD2      LEU  40   8.082  -7.130   3.567
  333   3HD2  LEU  40          2HD2      LEU  40   8.373  -5.410   3.878
  334    H    LYS  41           H        LYS  41   7.732  -9.356   0.103
  335    HA   LYS  41           HA       LYS  41  10.574  -9.058   0.011
  336   1HB   LYS  41          1HB       LYS  41   8.786 -11.486  -0.282
  337   2HB   LYS  41          2HB       LYS  41  10.539 -11.538  -0.109
  338   1HG   LYS  41          1HG       LYS  41   8.612 -10.368   1.952
  339   2HG   LYS  41          2HG       LYS  41   9.369 -11.958   1.983
  340   1HD   LYS  41          1HD       LYS  41  11.634 -10.841   2.058
  341   2HD   LYS  41          2HD       LYS  41  10.811  -9.275   2.159
  342   1HE   LYS  41          1HE       LYS  41  11.445  -9.937   4.377
  343   2HE   LYS  41          2HE       LYS  41   9.679  -9.973   4.249
  344   1HZ   LYS  41          1HZ       LYS  41  11.458 -12.309   4.057
  345   2HZ   LYS  41          2HZ       LYS  41  10.576 -11.883   5.381
  346   3HZ   LYS  41          3HZ       LYS  41   9.811 -12.344   3.998
  347    H    GLY  42           H        GLY  42   8.296 -10.348  -2.392
  348   1HA   GLY  42          1HA       GLY  42  10.052 -11.014  -4.446
  349   2HA   GLY  42          2HA       GLY  42   8.384 -10.464  -4.686
  350    H    GLY  43           H        GLY  43   8.455  -7.848  -3.868
  351   1HA   GLY  43          1HA       GLY  43   9.862  -6.428  -5.994
  352   2HA   GLY  43          2HA       GLY  43   8.814  -5.767  -4.727
  353    H    SER  44           H        SER  44  11.848  -7.559  -4.923
  354    HA   SER  44           HA       SER  44  13.266  -7.303  -2.789
  355   1HB   SER  44          1HB       SER  44  15.327  -6.835  -4.197
  356   2HB   SER  44          2HB       SER  44  14.280  -8.128  -4.808
  357    HG   SER  44           HG       SER  44  13.422  -6.691  -6.312
  358    H    THR  45           H        THR  45  13.355  -4.551  -5.026
  359    HA   THR  45           HA       THR  45  13.717  -2.677  -2.721
  360    HB   THR  45           HB       THR  45  14.539  -1.103  -4.480
  361    HG1  THR  45           HG1      THR  45  14.951  -3.565  -5.890
  362   1HG2  THR  45          3HG2      THR  45  16.062  -2.158  -2.856
  363   2HG2  THR  45          1HG2      THR  45  16.219  -3.590  -3.893
  364   3HG2  THR  45          2HG2      THR  45  16.850  -2.021  -4.439
  365    H    LEU  46           H        LEU  46  12.246  -1.159  -2.439
  366    HA   LEU  46           HA       LEU  46   9.635  -1.580  -3.582
  367   1HB   LEU  46          1HB       LEU  46  10.578   0.746  -1.869
  368   2HB   LEU  46          2HB       LEU  46   8.932   0.091  -1.985
  369    HG   LEU  46           HG       LEU  46  11.409  -1.118  -0.716
  370   1HD1  LEU  46          3HD1      LEU  46  10.346   0.679   0.572
  371   2HD1  LEU  46          1HD1      LEU  46   8.785  -0.166   0.489
  372   3HD1  LEU  46          2HD1      LEU  46  10.143  -0.882   1.389
  373   1HD2  LEU  46          3HD2      LEU  46   8.586  -2.307  -0.919
  374   2HD2  LEU  46          1HD2      LEU  46  10.050  -2.982  -1.664
  375   3HD2  LEU  46          2HD2      LEU  46   9.889  -2.965   0.094
  376    H    ASP  47           H        ASP  47  12.042   0.984  -3.589
  377    HA   ASP  47           HA       ASP  47  10.798   2.981  -4.991
  378   1HB   ASP  47          1HB       ASP  47  13.715   2.111  -5.117
  379   2HB   ASP  47          2HB       ASP  47  13.107   3.699  -5.610
  380    H    GLU  48           H        GLU  48  12.622   0.293  -6.414
  381    HA   GLU  48           HA       GLU  48  12.266   0.963  -9.141
  382   1HB   GLU  48          1HB       GLU  48  12.759  -1.632  -7.638
  383   2HB   GLU  48          2HB       GLU  48  12.509  -1.632  -9.385
  384   1HG   GLU  48          1HG       GLU  48  14.919  -1.564  -8.712
  385   2HG   GLU  48          2HG       GLU  48  14.410  -0.275  -9.808
  386    H    LEU  49           H        LEU  49  10.226  -1.001  -6.996
  387    HA   LEU  49           HA       LEU  49   8.269  -1.712  -8.954
  388   1HB   LEU  49          1HB       LEU  49   8.721  -2.557  -6.485
  389   2HB   LEU  49          2HB       LEU  49   7.566  -1.303  -6.037
  390    HG   LEU  49           HG       LEU  49   7.117  -3.692  -7.879
  391   1HD1  LEU  49          3HD1      LEU  49   7.199  -4.154  -5.435
  392   2HD1  LEU  49          1HD1      LEU  49   5.917  -2.955  -5.174
  393   3HD1  LEU  49          2HD1      LEU  49   5.583  -4.428  -6.108
  394   1HD2  LEU  49          3HD2      LEU  49   5.225  -1.411  -7.172
  395   2HD2  LEU  49          1HD2      LEU  49   5.734  -1.947  -8.797
  396   3HD2  LEU  49          2HD2      LEU  49   4.686  -2.974  -7.821
  397    H    PHE  50           H        PHE  50   8.444   0.895  -6.574
  398    HA   PHE  50           HA       PHE  50   6.065   2.287  -7.101
  399   1HB   PHE  50          1HB       PHE  50   7.617   2.685  -5.213
  400   2HB   PHE  50          2HB       PHE  50   8.807   3.357  -6.307
  401    HD1  PHE  50           HD2      PHE  50   5.669   3.961  -4.564
  402    HD2  PHE  50           HD1      PHE  50   8.559   5.610  -7.293
  403    HE1  PHE  50           HE2      PHE  50   5.012   6.226  -3.870
  404    HE2  PHE  50           HE1      PHE  50   7.909   7.896  -6.584
  405    HZ   PHE  50           HZ       PHE  50   6.313   8.189  -4.705
  406    H    GLU  51           H        GLU  51   9.308   2.763  -8.589
  407    HA   GLU  51           HA       GLU  51   8.486   4.757 -10.420
  408   1HB   GLU  51          1HB       GLU  51  10.858   4.173  -9.769
  409   2HB   GLU  51          2HB       GLU  51  10.708   2.689 -10.722
  410   1HG   GLU  51          1HG       GLU  51  11.894   4.438 -11.980
  411   2HG   GLU  51          2HG       GLU  51  10.373   4.027 -12.779
  412    H    GLU  52           H        GLU  52   8.632   1.226 -10.698
  413    HA   GLU  52           HA       GLU  52   7.847   1.006 -13.386
  414   1HB   GLU  52          1HB       GLU  52   8.710  -0.818 -11.906
  415   2HB   GLU  52          2HB       GLU  52   7.108  -0.962 -11.186
  416   1HG   GLU  52          1HG       GLU  52   7.689  -1.281 -14.167
  417   2HG   GLU  52          2HG       GLU  52   7.677  -2.618 -13.012
  418    H    LEU  53           H        LEU  53   5.805   1.340 -10.481
  419    HA   LEU  53           HA       LEU  53   3.311   1.323 -11.942
  420   1HB   LEU  53          1HB       LEU  53   4.006   2.465  -9.211
  421   2HB   LEU  53          2HB       LEU  53   2.389   2.239  -9.865
  422    HG   LEU  53           HG       LEU  53   4.382   0.016  -9.277
  423   1HD1  LEU  53          3HD1      LEU  53   3.464   1.156  -7.264
  424   2HD1  LEU  53          1HD1      LEU  53   1.820   0.786  -7.840
  425   3HD1  LEU  53          2HD1      LEU  53   2.933  -0.526  -7.406
  426   1HD2  LEU  53          3HD2      LEU  53   1.483  -0.153 -10.180
  427   2HD2  LEU  53          1HD2      LEU  53   2.918  -0.687 -11.096
  428   3HD2  LEU  53          2HD2      LEU  53   2.476  -1.515  -9.610
  429    H    ASP  54           H        ASP  54   5.052   4.016 -10.400
  430    HA   ASP  54           HA       ASP  54   3.661   5.954 -12.199
  431   1HB   ASP  54          1HB       ASP  54   3.414   6.493  -9.858
  432   2HB   ASP  54          2HB       ASP  54   5.151   6.319  -9.578
  433    H    LYS  55           H        LYS  55   4.864   5.698 -14.077
  434    HA   LYS  55           HA       LYS  55   7.749   5.888 -14.142
  435   1HB   LYS  55          1HB       LYS  55   5.719   6.403 -16.273
  436   2HB   LYS  55          2HB       LYS  55   7.487   6.353 -16.454
  437   1HG   LYS  55          1HG       LYS  55   5.838   3.988 -15.402
  438   2HG   LYS  55          2HG       LYS  55   6.245   4.233 -17.105
  439   1HD   LYS  55          1HD       LYS  55   8.676   4.205 -16.534
  440   2HD   LYS  55          2HD       LYS  55   8.251   3.850 -14.847
  441   1HE   LYS  55          1HE       LYS  55   7.044   1.798 -15.596
  442   2HE   LYS  55          2HE       LYS  55   7.560   2.118 -17.261
  443   1HZ   LYS  55          1HZ       LYS  55   9.346   1.656 -14.976
  444   2HZ   LYS  55          2HZ       LYS  55   8.992   0.568 -16.161
  445   3HZ   LYS  55          3HZ       LYS  55   9.826   1.942 -16.528
  446    H    ASN  56           H        ASN  56   7.849   7.512 -12.715
  447    HA   ASN  56           HA       ASN  56   7.957   9.619 -11.791
  448   1HB   ASN  56          1HB       ASN  56   9.773  10.872 -12.629
  449   2HB   ASN  56          2HB       ASN  56  10.176   9.172 -12.771
  450   1HD2  ASN  56          1HD2      ASN  56  10.946  11.309 -15.895
  451   2HD2  ASN  56          2HD2      ASN  56  11.023  11.741 -14.188
  452    H    GLY  57           H        GLY  57   5.541   9.574 -12.783
  453   1HA   GLY  57          1HA       GLY  57   5.022  11.888 -14.522
  454   2HA   GLY  57          2HA       GLY  57   3.829  10.849 -13.730
  455    H    ASP  58           H        ASP  58   3.352  11.188 -11.454
  456    HA   ASP  58           HA       ASP  58   3.583  14.001 -10.624
  457   1HB   ASP  58          1HB       ASP  58   1.865  13.397  -9.055
  458   2HB   ASP  58          2HB       ASP  58   1.383  12.909 -10.682
  459    H    GLY  59           H        GLY  59   4.946  10.836  -9.844
  460   1HA   GLY  59          1HA       GLY  59   6.912  10.567  -8.639
  461   2HA   GLY  59          2HA       GLY  59   6.679  12.107  -7.811
  462    H    GLU  60           H        GLU  60   3.838  10.132  -7.926
  463    HA   GLU  60           HA       GLU  60   4.299   8.474  -5.624
  464   1HB   GLU  60          1HB       GLU  60   2.272  10.748  -5.423
  465   2HB   GLU  60          2HB       GLU  60   2.387   9.344  -4.339
  466   1HG   GLU  60          1HG       GLU  60   4.815  10.048  -3.886
  467   2HG   GLU  60          2HG       GLU  60   4.415  11.580  -4.683
  468    H    VAL  61           H        VAL  61   2.103   7.244  -5.260
  469    HA   VAL  61           HA       VAL  61   1.420   6.390  -8.059
  470    HB   VAL  61           HB       VAL  61   1.711   4.920  -5.450
  471   1HG1  VAL  61          1HG1      VAL  61   0.794   3.867  -8.165
  472   2HG1  VAL  61          2HG1      VAL  61   1.290   2.855  -6.798
  473   3HG1  VAL  61          3HG1      VAL  61  -0.133   3.879  -6.647
  474   1HG2  VAL  61          1HG2      VAL  61   3.830   5.520  -6.656
  475   2HG2  VAL  61          2HG2      VAL  61   3.555   3.775  -6.722
  476   3HG2  VAL  61          3HG2      VAL  61   3.194   4.775  -8.131
  477    H    SER  62           H        SER  62  -0.450   7.426  -8.591
  478    HA   SER  62           HA       SER  62  -2.704   7.460  -6.753
  479   1HB   SER  62          1HB       SER  62  -2.309   9.270  -8.411
  480   2HB   SER  62          2HB       SER  62  -2.711   8.123  -9.706
  481    HG   SER  62           HG       SER  62  -4.368   8.853  -7.491
  482    H    PHE  63           H        PHE  63  -4.871   6.654  -7.697
  483    HA   PHE  63           HA       PHE  63  -4.677   3.824  -7.514
  484   1HB   PHE  63          1HB       PHE  63  -6.608   5.092  -6.683
  485   2HB   PHE  63          2HB       PHE  63  -7.106   5.438  -8.341
  486    HD1  PHE  63           HD1      PHE  63  -6.195   2.550  -6.105
  487    HD2  PHE  63           HD2      PHE  63  -8.620   3.882  -9.409
  488    HE1  PHE  63           HE1      PHE  63  -7.325   0.358  -6.157
  489    HE2  PHE  63           HE2      PHE  63  -9.747   1.674  -9.456
  490    HZ   PHE  63           HZ       PHE  63  -9.116  -0.090  -7.793
  491    H    GLU  64           H        GLU  64  -5.202   5.955 -10.317
  492    HA   GLU  64           HA       GLU  64  -5.878   3.889 -12.141
  493   1HB   GLU  64          1HB       GLU  64  -4.510   6.579 -12.674
  494   2HB   GLU  64          2HB       GLU  64  -5.229   5.525 -13.903
  495   1HG   GLU  64          1HG       GLU  64  -7.444   5.730 -12.785
  496   2HG   GLU  64          2HG       GLU  64  -6.742   6.832 -11.589
  497    H    GLU  65           H        GLU  65  -2.677   5.515 -11.682
  498    HA   GLU  65           HA       GLU  65  -1.287   3.637 -13.314
  499   1HB   GLU  65          1HB       GLU  65   0.764   4.595 -12.387
  500   2HB   GLU  65          2HB       GLU  65  -0.399   5.794 -12.951
  501   1HG   GLU  65          1HG       GLU  65  -1.142   5.966 -10.455
  502   2HG   GLU  65          2HG       GLU  65   0.375   5.132 -10.099
  503    H    PHE  66           H        PHE  66  -2.006   3.583  -9.802
  504    HA   PHE  66           HA       PHE  66  -0.608   1.232  -9.092
  505   1HB   PHE  66          1HB       PHE  66  -1.675   2.505  -7.403
  506   2HB   PHE  66          2HB       PHE  66  -3.180   2.477  -8.280
  507    HD1  PHE  66           HD1      PHE  66  -0.951   0.305  -6.199
  508    HD2  PHE  66           HD2      PHE  66  -4.818   0.922  -7.952
  509    HE1  PHE  66           HE1      PHE  66  -1.900  -1.497  -4.765
  510    HE2  PHE  66           HE2      PHE  66  -5.695  -1.062  -6.801
  511    HZ   PHE  66           HZ       PHE  66  -4.271  -2.173  -5.019
  512    H    GLN  67           H        GLN  67  -3.516   1.520 -11.185
  513    HA   GLN  67           HA       GLN  67  -4.244  -1.196 -11.058
  514   1HB   GLN  67          1HB       GLN  67  -4.366   0.500 -13.580
  515   2HB   GLN  67          2HB       GLN  67  -5.175  -1.036 -13.295
  516   1HG   GLN  67          1HG       GLN  67  -5.819   1.608 -11.989
  517   2HG   GLN  67          2HG       GLN  67  -6.834   0.606 -13.017
  518   1HE2  GLN  67          1HE2      GLN  67  -6.614   0.008  -8.975
  519   2HE2  GLN  67          2HE2      GLN  67  -5.750   1.270  -9.830
  520    H    VAL  68           H        VAL  68  -1.351   0.166 -12.496
  521    HA   VAL  68           HA       VAL  68  -0.616  -1.985 -14.190
  522    HB   VAL  68           HB       VAL  68   1.065  -0.091 -12.522
  523   1HG1  VAL  68          3HG1      VAL  68   2.433  -2.072 -13.117
  524   2HG1  VAL  68          1HG1      VAL  68   1.958  -1.879 -14.818
  525   3HG1  VAL  68          2HG1      VAL  68   2.928  -0.634 -14.014
  526   1HG2  VAL  68          1HG2      VAL  68  -0.378   0.975 -14.304
  527   2HG2  VAL  68          2HG2      VAL  68   1.353   1.122 -14.629
  528   3HG2  VAL  68          3HG2      VAL  68   0.384  -0.085 -15.499
  529    H    LEU  69           H        LEU  69  -0.647  -1.661 -10.678
  530    HA   LEU  69           HA       LEU  69   0.724  -4.200 -10.158
  531   1HB   LEU  69          1HB       LEU  69   0.338  -1.912  -8.689
  532   2HB   LEU  69          2HB       LEU  69  -1.023  -2.852  -8.103
  533    HG   LEU  69           HG       LEU  69   1.924  -3.651  -8.045
  534   1HD1  LEU  69          3HD1      LEU  69   1.249  -1.832  -6.459
  535   2HD1  LEU  69          1HD1      LEU  69   0.007  -2.904  -5.790
  536   3HD1  LEU  69          2HD1      LEU  69   1.725  -3.320  -5.622
  537   1HD2  LEU  69          3HD2      LEU  69  -0.513  -5.085  -6.906
  538   2HD2  LEU  69          1HD2      LEU  69   0.539  -5.681  -8.217
  539   3HD2  LEU  69          2HD2      LEU  69   1.177  -5.522  -6.578
  540    H    VAL  70           H        VAL  70  -2.638  -2.893 -10.031
  541    HA   VAL  70           HA       VAL  70  -3.913  -5.211  -9.145
  542    HB   VAL  70           HB       VAL  70  -5.016  -3.194 -11.133
  543   1HG1  VAL  70          1HG1      VAL  70  -6.424  -5.287  -9.453
  544   2HG1  VAL  70          2HG1      VAL  70  -7.230  -3.905 -10.226
  545   3HG1  VAL  70          3HG1      VAL  70  -6.434  -5.126 -11.220
  546   1HG2  VAL  70          3HG2      VAL  70  -5.172  -3.391  -8.083
  547   2HG2  VAL  70          1HG2      VAL  70  -4.287  -2.154  -8.981
  548   3HG2  VAL  70          2HG2      VAL  70  -6.055  -2.220  -9.061
  549    H    LYS  71           H        LYS  71  -3.099  -4.414 -12.587
  550    HA   LYS  71           HA       LYS  71  -4.351  -6.740 -13.638
  551   1HB   LYS  71          1HB       LYS  71  -2.977  -6.443 -15.587
  552   2HB   LYS  71          2HB       LYS  71  -3.704  -4.913 -15.041
  553   1HG   LYS  71          1HG       LYS  71  -1.649  -4.034 -14.341
  554   2HG   LYS  71          2HG       LYS  71  -0.834  -5.607 -14.354
  555   1HD   LYS  71          1HD       LYS  71  -0.975  -5.753 -16.770
  556   2HD   LYS  71          2HD       LYS  71  -1.899  -4.245 -16.854
  557   1HE   LYS  71          1HE       LYS  71   0.559  -4.035 -17.420
  558   2HE   LYS  71          2HE       LYS  71  -0.005  -2.934 -16.161
  559   1HZ   LYS  71          1HZ       LYS  71   1.381  -5.476 -15.659
  560   2HZ   LYS  71          2HZ       LYS  71   2.086  -3.986 -15.628
  561   3HZ   LYS  71          3HZ       LYS  71   0.928  -4.367 -14.522
  562    H    LYS  72           H        LYS  72  -1.199  -6.281 -12.155
  563    HA   LYS  72           HA       LYS  72  -0.044  -8.867 -12.867
  564   1HB   LYS  72          1HB       LYS  72   1.325  -7.009 -12.838
  565   2HB   LYS  72          2HB       LYS  72   0.772  -6.449 -11.283
  566   1HG   LYS  72          1HG       LYS  72   2.414  -8.977 -11.763
  567   2HG   LYS  72          2HG       LYS  72   3.003  -7.396 -11.188
  568   1HD   LYS  72          1HD       LYS  72   0.968  -7.674  -9.484
  569   2HD   LYS  72          2HD       LYS  72   1.255  -9.399  -9.818
  570   1HE   LYS  72          1HE       LYS  72   3.343  -7.438  -8.751
  571   2HE   LYS  72          2HE       LYS  72   2.505  -8.682  -7.810
  572   1HZ   LYS  72          3HZ       LYS  72   3.493 -10.340  -9.212
  573   2HZ   LYS  72          1HZ       LYS  72   4.279  -9.191 -10.093
  574   3HZ   LYS  72          2HZ       LYS  72   4.658  -9.414  -8.506
  575    H    ILE  73           H        ILE  73  -1.747  -7.481 -10.073
  576    HA   ILE  73           HA       ILE  73  -1.680  -9.912  -8.530
  577    HB   ILE  73           HB       ILE  73  -3.814  -7.744  -8.578
  578   1HG1  ILE  73          1HG1      ILE  73  -1.649  -6.843  -7.944
  579   2HG1  ILE  73          2HG1      ILE  73  -2.769  -6.851  -6.587
  580   1HG2  ILE  73          1HG2      ILE  73  -3.374 -10.043  -6.641
  581   2HG2  ILE  73          2HG2      ILE  73  -4.360  -8.611  -6.273
  582   3HG2  ILE  73          3HG2      ILE  73  -4.819  -9.679  -7.600
  583   1HD1  ILE  73          3HD1      ILE  73  -1.610  -8.912  -5.706
  584   2HD1  ILE  73          1HD1      ILE  73  -0.438  -8.762  -7.039
  585   3HD1  ILE  73          2HD1      ILE  73  -0.572  -7.487  -5.820
  586    H    SER  74           H        SER  74  -3.976  -8.689 -10.924
  587    HA   SER  74           HA       SER  74  -5.819 -10.840 -10.772
  588   1HB   SER  74          1HB       SER  74  -5.246  -9.095 -13.203
  589   2HB   SER  74          2HB       SER  74  -6.718 -10.019 -12.867
  590    HG   SER  74           HG       SER  74  -5.698  -7.849 -11.321
  591    H    GLN  75           H        GLN  75  -2.956 -10.381 -12.795
  592    HA   GLN  75           HA       GLN  75  -1.809 -11.735 -14.202
  593   1HB   GLN  75          1HB       GLN  75  -1.324 -12.696 -11.932
  594   2HB   GLN  75          2HB       GLN  75  -2.584 -13.911 -12.210
  595   1HG   GLN  75          1HG       GLN  75  -1.334 -14.734 -14.202
  596   2HG   GLN  75          2HG       GLN  75  -0.110 -13.474 -13.947
  597   1HE2  GLN  75          1HE2      GLN  75   1.456 -16.397 -12.466
  598   2HE2  GLN  75          2HE2      GLN  75   1.174 -15.665 -14.037
   
  No H/Q in entry =         598
  Start of MODEL          10
 Raw file had  599 H/Q atoms
  Start of MODEL   10
    1   1H    LYS   1          2H        LYS   1  -6.963  -9.959  -4.841
    2   2H    LYS   1          3H        LYS   1  -7.078 -10.506  -3.255
    3   3H    LYS   1          1H        LYS   1  -8.208 -10.999  -4.398
    4    HA   LYS   1           HA       LYS   1  -9.139  -9.366  -2.961
    5   1HB   LYS   1          1HB       LYS   1  -7.040  -7.540  -4.167
    6   2HB   LYS   1          2HB       LYS   1  -8.201  -7.113  -2.902
    7   1HG   LYS   1          1HG       LYS   1  -5.810  -8.996  -2.679
    8   2HG   LYS   1          2HG       LYS   1  -5.915  -7.345  -2.057
    9   1HD   LYS   1          1HD       LYS   1  -7.872  -8.157  -0.598
   10   2HD   LYS   1          2HD       LYS   1  -7.381  -9.802  -1.050
   11   1HE   LYS   1          1HE       LYS   1  -5.708  -7.683   0.393
   12   2HE   LYS   1          2HE       LYS   1  -6.323  -9.189   1.080
   13   1HZ   LYS   1          1HZ       LYS   1  -4.334  -8.981  -1.075
   14   2HZ   LYS   1          2HZ       LYS   1  -4.002  -9.340   0.488
   15   3HZ   LYS   1          3HZ       LYS   1  -4.896 -10.385  -0.423
   16    H    SER   2           H        SER   2 -10.890  -8.145  -3.981
   17    HA   SER   2           HA       SER   2 -11.023  -8.277  -6.903
   18   1HB   SER   2          1HB       SER   2 -13.266  -7.327  -6.570
   19   2HB   SER   2          2HB       SER   2 -13.011  -8.696  -5.478
   20    HG   SER   2           HG       SER   2 -13.880  -6.956  -4.331
   21    HA   PRO   3           HA       PRO   3  -9.558  -4.059  -7.658
   22   1HB   PRO   3          1HB       PRO   3 -12.251  -3.667  -8.997
   23   2HB   PRO   3          2HB       PRO   3 -10.641  -3.120  -9.551
   24   1HG   PRO   3          1HG       PRO   3 -11.718  -5.361 -10.619
   25   2HG   PRO   3          2HG       PRO   3 -10.005  -5.374 -10.104
   26   1HD   PRO   3          1HD       PRO   3 -12.403  -6.465  -8.619
   27   2HD   PRO   3          2HD       PRO   3 -10.791  -7.202  -8.871
   28    H    GLU   4           H        GLU   4 -12.946  -4.499  -6.578
   29    HA   GLU   4           HA       GLU   4 -13.336  -1.937  -5.413
   30   1HB   GLU   4          1HB       GLU   4 -14.544  -4.634  -4.662
   31   2HB   GLU   4          2HB       GLU   4 -15.159  -3.055  -4.163
   32   1HG   GLU   4          1HG       GLU   4 -15.646  -2.445  -6.485
   33   2HG   GLU   4          2HG       GLU   4 -14.951  -3.961  -7.081
   34    H    GLU   5           H        GLU   5 -12.152  -5.006  -4.051
   35    HA   GLU   5           HA       GLU   5 -11.828  -3.984  -1.357
   36   1HB   GLU   5          1HB       GLU   5 -10.595  -6.340  -2.838
   37   2HB   GLU   5          2HB       GLU   5 -10.196  -5.956  -1.162
   38   1HG   GLU   5          1HG       GLU   5 -13.049  -6.472  -2.110
   39   2HG   GLU   5          2HG       GLU   5 -11.990  -7.708  -1.415
   40    H    LEU   6           H        LEU   6  -9.701  -4.298  -4.181
   41    HA   LEU   6           HA       LEU   6  -7.379  -3.205  -2.982
   42   1HB   LEU   6          1HB       LEU   6  -8.347  -3.292  -5.856
   43   2HB   LEU   6          2HB       LEU   6  -6.801  -2.637  -5.373
   44    HG   LEU   6           HG       LEU   6  -7.761  -5.507  -4.972
   45   1HD1  LEU   6          3HD1      LEU   6  -6.938  -4.840  -7.259
   46   2HD1  LEU   6          1HD1      LEU   6  -5.399  -4.383  -6.473
   47   3HD1  LEU   6          2HD1      LEU   6  -5.928  -6.078  -6.475
   48   1HD2  LEU   6          3HD2      LEU   6  -5.258  -4.105  -3.941
   49   2HD2  LEU   6          1HD2      LEU   6  -6.406  -5.117  -3.025
   50   3HD2  LEU   6          2HD2      LEU   6  -5.328  -5.850  -4.206
   51    H    LYS   7           H        LYS   7 -10.073  -1.493  -4.626
   52    HA   LYS   7           HA       LYS   7  -8.880   1.061  -4.265
   53   1HB   LYS   7          1HB       LYS   7 -10.935   0.618  -5.618
   54   2HB   LYS   7          2HB       LYS   7 -11.851   0.312  -4.156
   55   1HG   LYS   7          1HG       LYS   7 -12.269   2.546  -5.071
   56   2HG   LYS   7          2HG       LYS   7 -11.655   2.605  -3.418
   57   1HD   LYS   7          1HD       LYS   7  -9.428   3.255  -4.184
   58   2HD   LYS   7          2HD       LYS   7  -9.884   3.000  -5.873
   59   1HE   LYS   7          1HE       LYS   7 -11.156   5.088  -4.047
   60   2HE   LYS   7          2HE       LYS   7  -9.812   5.399  -5.156
   61   1HZ   LYS   7          3HZ       LYS   7 -11.213   4.715  -6.961
   62   2HZ   LYS   7          1HZ       LYS   7 -12.481   4.469  -5.937
   63   3HZ   LYS   7          2HZ       LYS   7 -11.870   5.985  -6.141
   64    H    GLY   8           H        GLY   8 -11.096  -0.727  -2.158
   65   1HA   GLY   8          1HA       GLY   8 -11.248   1.030   0.039
   66   2HA   GLY   8          2HA       GLY   8 -11.278  -0.737   0.183
   67    H    ILE   9           H        ILE   9  -8.888  -1.572  -0.434
   68    HA   ILE   9           HA       ILE   9  -7.085  -1.198   1.725
   69    HB   ILE   9           HB       ILE   9  -6.724  -2.219  -1.100
   70   1HG1  ILE   9          1HG1      ILE   9  -8.366  -3.243   0.809
   71   2HG1  ILE   9          2HG1      ILE   9  -7.547  -4.216  -0.421
   72   1HG2  ILE   9          1HG2      ILE   9  -4.843  -2.403   1.248
   73   2HG2  ILE   9          2HG2      ILE   9  -4.740  -3.434  -0.208
   74   3HG2  ILE   9          3HG2      ILE   9  -4.560  -1.686  -0.341
   75   1HD1  ILE   9          1HD1      ILE   9  -6.454  -3.751   2.377
   76   2HD1  ILE   9          2HD1      ILE   9  -7.500  -5.107   1.916
   77   3HD1  ILE   9          3HD1      ILE   9  -5.924  -4.947   1.146
   78    H    PHE  10           H        PHE  10  -6.910   0.053  -1.657
   79    HA   PHE  10           HA       PHE  10  -4.552   1.506  -1.429
   80   1HB   PHE  10          1HB       PHE  10  -5.887   0.992  -3.533
   81   2HB   PHE  10          2HB       PHE  10  -7.038   2.196  -3.044
   82    HD1  PHE  10           HD1      PHE  10  -6.262   4.610  -2.720
   83    HD2  PHE  10           HD2      PHE  10  -3.827   1.600  -4.634
   84    HE1  PHE  10           HE1      PHE  10  -4.619   6.278  -3.344
   85    HE2  PHE  10           HE2      PHE  10  -2.429   3.398  -5.630
   86    HZ   PHE  10           HZ       PHE  10  -2.873   5.760  -5.068
   87    H    GLU  11           H        GLU  11  -7.923   2.518  -0.767
   88    HA   GLU  11           HA       GLU  11  -7.292   5.226  -0.053
   89   1HB   GLU  11          1HB       GLU  11  -9.692   3.465   0.569
   90   2HB   GLU  11          2HB       GLU  11  -9.577   5.178   1.001
   91   1HG   GLU  11          1HG       GLU  11  -9.274   5.808  -1.351
   92   2HG   GLU  11          2HG       GLU  11  -9.317   4.122  -1.852
   93    H    LYS  12           H        LYS  12  -7.828   2.279   1.940
   94    HA   LYS  12           HA       LYS  12  -7.576   3.303   4.501
   95   1HB   LYS  12          1HB       LYS  12  -8.070   1.032   4.280
   96   2HB   LYS  12          2HB       LYS  12  -6.668   0.678   3.271
   97   1HG   LYS  12          1HG       LYS  12  -5.120   0.823   5.014
   98   2HG   LYS  12          2HG       LYS  12  -6.332   1.517   6.140
   99   1HD   LYS  12          1HD       LYS  12  -7.660  -0.678   5.775
  100   2HD   LYS  12          2HD       LYS  12  -6.194  -1.321   5.022
  101   1HE   LYS  12          1HE       LYS  12  -6.483  -0.248   7.875
  102   2HE   LYS  12          2HE       LYS  12  -6.363  -1.951   7.409
  103   1HZ   LYS  12          1HZ       LYS  12  -4.270   0.060   6.978
  104   2HZ   LYS  12          2HZ       LYS  12  -4.290  -1.064   8.182
  105   3HZ   LYS  12          3HZ       LYS  12  -4.167  -1.546   6.613
  106    H    TYR  13           H        TYR  13  -4.867   2.372   2.342
  107    HA   TYR  13           HA       TYR  13  -2.919   3.350   4.311
  108   1HB   TYR  13          1HB       TYR  13  -2.614   2.189   1.555
  109   2HB   TYR  13          2HB       TYR  13  -1.271   2.717   2.572
  110    HD1  TYR  13           HD1      TYR  13  -1.004   1.725   4.878
  111    HD2  TYR  13           HD2      TYR  13  -3.888   0.151   2.170
  112    HE1  TYR  13           HE1      TYR  13  -1.112  -0.390   6.202
  113    HE2  TYR  13           HE2      TYR  13  -3.993  -1.960   3.386
  114    HH   TYR  13           HH       TYR  13  -1.895  -2.650   6.182
  115    H    ALA  14           H        ALA  14  -4.014   4.452   1.103
  116    HA   ALA  14           HA       ALA  14  -2.296   6.682   0.824
  117   1HB   ALA  14          3HB       ALA  14  -3.661   5.745  -1.006
  118   2HB   ALA  14          1HB       ALA  14  -5.135   6.307  -0.191
  119   3HB   ALA  14          2HB       ALA  14  -3.960   7.479  -0.817
  120    H    ALA  15           H        ALA  15  -5.421   6.461   2.459
  121    HA   ALA  15           HA       ALA  15  -5.928   9.135   3.006
  122   1HB   ALA  15          1HB       ALA  15  -6.327   6.719   4.823
  123   2HB   ALA  15          2HB       ALA  15  -7.091   8.306   5.048
  124   3HB   ALA  15          3HB       ALA  15  -7.480   7.339   3.611
  125    H    LYS  16           H        LYS  16  -3.397   7.030   4.433
  126    HA   LYS  16           HA       LYS  16  -2.952   8.733   6.715
  127   1HB   LYS  16          1HB       LYS  16  -1.108   6.666   5.487
  128   2HB   LYS  16          2HB       LYS  16  -0.997   7.388   7.108
  129   1HG   LYS  16          1HG       LYS  16  -3.373   6.486   7.516
  130   2HG   LYS  16          2HG       LYS  16  -3.178   5.533   6.046
  131   1HD   LYS  16          1HD       LYS  16  -1.552   5.324   8.620
  132   2HD   LYS  16          2HD       LYS  16  -2.713   4.171   7.957
  133   1HE   LYS  16          1HE       LYS  16  -0.704   3.179   7.348
  134   2HE   LYS  16          2HE       LYS  16  -1.110   4.080   5.879
  135   1HZ   LYS  16          3HZ       LYS  16   0.364   5.827   6.709
  136   2HZ   LYS  16          1HZ       LYS  16   0.756   4.895   8.007
  137   3HZ   LYS  16          2HZ       LYS  16   1.159   4.413   6.481
  138    H    GLU  17           H        GLU  17  -1.838   8.771   3.350
  139    HA   GLU  17           HA       GLU  17   0.214  10.841   3.858
  140   1HB   GLU  17          1HB       GLU  17  -1.105   9.712   1.341
  141   2HB   GLU  17          2HB       GLU  17  -0.179  11.202   1.299
  142   1HG   GLU  17          1HG       GLU  17   0.914   8.556   2.302
  143   2HG   GLU  17          2HG       GLU  17   1.135   9.190   0.666
  144    H    GLY  18           H        GLY  18  -3.096  10.528   2.665
  145   1HA   GLY  18          1HA       GLY  18  -4.520  12.311   3.947
  146   2HA   GLY  18          2HA       GLY  18  -3.587  13.469   2.981
  147    H    ASP  19           H        ASP  19  -3.378  12.647   0.556
  148    HA   ASP  19           HA       ASP  19  -6.003  12.835  -0.545
  149   1HB   ASP  19          1HB       ASP  19  -4.133  13.746  -1.755
  150   2HB   ASP  19          2HB       ASP  19  -3.334  12.166  -1.817
  151    HA   PRO  20           HA       PRO  20  -6.632   8.364   0.144
  152   1HB   PRO  20          1HB       PRO  20  -9.093   8.142  -1.137
  153   2HB   PRO  20          2HB       PRO  20  -8.868   8.662   0.568
  154   1HG   PRO  20          1HG       PRO  20  -9.251  10.336  -1.920
  155   2HG   PRO  20          2HG       PRO  20 -10.021  10.557  -0.323
  156   1HD   PRO  20          1HD       PRO  20  -7.916  12.035  -1.085
  157   2HD   PRO  20          2HD       PRO  20  -8.038  11.453   0.601
  158    H    ASN  21           H        ASN  21  -6.688  10.094  -2.915
  159    HA   ASN  21           HA       ASN  21  -6.901   7.758  -4.613
  160   1HB   ASN  21          1HB       ASN  21  -6.190  10.636  -5.285
  161   2HB   ASN  21          2HB       ASN  21  -6.706   9.380  -6.404
  162   1HD2  ASN  21          1HD2      ASN  21  -9.469  11.508  -4.325
  163   2HD2  ASN  21          2HD2      ASN  21  -7.745  11.752  -4.059
  164    H    GLN  22           H        GLN  22  -4.213   9.000  -2.872
  165    HA   GLN  22           HA       GLN  22  -2.316   7.959  -4.920
  166   1HB   GLN  22          1HB       GLN  22  -2.774  10.329  -5.275
  167   2HB   GLN  22          2HB       GLN  22  -2.252  10.697  -3.626
  168   1HG   GLN  22          1HG       GLN  22   0.001  10.105  -4.137
  169   2HG   GLN  22          2HG       GLN  22  -0.455   9.281  -5.644
  170   1HE2  GLN  22          1HE2      GLN  22   0.322  13.247  -5.783
  171   2HE2  GLN  22          2HE2      GLN  22   0.583  12.312  -4.316
  172    H    LEU  23           H        LEU  23  -0.740   6.649  -4.113
  173    HA   LEU  23           HA       LEU  23  -0.293   6.538  -1.181
  174   1HB   LEU  23          1HB       LEU  23   0.346   4.636  -3.455
  175   2HB   LEU  23          2HB       LEU  23   0.830   4.425  -1.789
  176    HG   LEU  23           HG       LEU  23  -2.092   4.657  -2.504
  177   1HD1  LEU  23          3HD1      LEU  23  -1.014   2.768  -3.774
  178   2HD1  LEU  23          1HD1      LEU  23  -0.391   2.145  -2.238
  179   3HD1  LEU  23          2HD1      LEU  23  -2.141   2.193  -2.522
  180   1HD2  LEU  23          1HD2      LEU  23  -1.363   4.885  -0.090
  181   2HD2  LEU  23          2HD2      LEU  23  -2.413   3.489  -0.403
  182   3HD2  LEU  23          3HD2      LEU  23  -0.667   3.257  -0.196
  183    H    SER  24           H        SER  24   1.724   6.926  -0.314
  184    HA   SER  24           HA       SER  24   3.991   7.771  -1.976
  185   1HB   SER  24          1HB       SER  24   5.062   8.026   0.269
  186   2HB   SER  24          2HB       SER  24   3.515   8.862   0.168
  187    HG   SER  24           HG       SER  24   3.385   7.681   2.036
  188    H    LYS  25           H        LYS  25   6.158   6.654  -1.379
  189    HA   LYS  25           HA       LYS  25   6.118   3.891  -1.921
  190   1HB   LYS  25          1HB       LYS  25   8.192   5.596  -0.419
  191   2HB   LYS  25          2HB       LYS  25   8.453   3.911  -0.890
  192   1HG   LYS  25          1HG       LYS  25   8.160   4.508  -3.263
  193   2HG   LYS  25          2HG       LYS  25   7.986   6.219  -2.809
  194   1HD   LYS  25          1HD       LYS  25  10.257   6.179  -1.813
  195   2HD   LYS  25          2HD       LYS  25  10.426   4.465  -2.250
  196   1HE   LYS  25          1HE       LYS  25  10.172   5.044  -4.652
  197   2HE   LYS  25          2HE       LYS  25   9.987   6.756  -4.226
  198   1HZ   LYS  25          3HZ       LYS  25  12.194   6.698  -3.313
  199   2HZ   LYS  25          1HZ       LYS  25  12.372   5.109  -3.725
  200   3HZ   LYS  25          2HZ       LYS  25  12.200   6.253  -4.899
  201    H    GLU  26           H        GLU  26   6.179   5.655   1.193
  202    HA   GLU  26           HA       GLU  26   6.527   3.291   2.766
  203   1HB   GLU  26          1HB       GLU  26   5.269   5.958   3.641
  204   2HB   GLU  26          2HB       GLU  26   5.996   4.717   4.673
  205   1HG   GLU  26          1HG       GLU  26   8.148   5.081   3.315
  206   2HG   GLU  26          2HG       GLU  26   7.402   6.555   2.683
  207    H    GLU  27           H        GLU  27   3.658   5.175   1.894
  208    HA   GLU  27           HA       GLU  27   1.870   3.397   3.309
  209   1HB   GLU  27          1HB       GLU  27   1.458   5.508   1.210
  210   2HB   GLU  27          2HB       GLU  27   0.151   4.395   1.631
  211   1HG   GLU  27          1HG       GLU  27   0.116   6.502   2.995
  212   2HG   GLU  27          2HG       GLU  27   0.123   4.997   3.905
  213    H    LEU  28           H        LEU  28   3.107   3.254  -0.124
  214    HA   LEU  28           HA       LEU  28   1.784   0.760  -0.632
  215   1HB   LEU  28          1HB       LEU  28   4.382   1.984  -1.619
  216   2HB   LEU  28          2HB       LEU  28   3.898   0.357  -2.119
  217    HG   LEU  28           HG       LEU  28   1.958   2.620  -2.274
  218   1HD1  LEU  28          1HD1      LEU  28   4.053   1.959  -4.364
  219   2HD1  LEU  28          2HD1      LEU  28   2.662   3.053  -4.594
  220   3HD1  LEU  28          3HD1      LEU  28   3.911   3.460  -3.404
  221   1HD2  LEU  28          1HD2      LEU  28   1.140   0.268  -2.726
  222   2HD2  LEU  28          2HD2      LEU  28   1.042   1.267  -4.186
  223   3HD2  LEU  28          3HD2      LEU  28   2.366   0.106  -3.995
  224    H    LYS  29           H        LYS  29   4.904   1.357   1.008
  225    HA   LYS  29           HA       LYS  29   5.536  -1.398   1.107
  226   1HB   LYS  29          1HB       LYS  29   6.960   0.671   1.664
  227   2HB   LYS  29          2HB       LYS  29   6.121   0.767   3.190
  228   1HG   LYS  29          1HG       LYS  29   7.024  -1.494   3.828
  229   2HG   LYS  29          2HG       LYS  29   7.794  -1.603   2.237
  230   1HD   LYS  29          1HD       LYS  29   9.492  -0.908   3.766
  231   2HD   LYS  29          2HD       LYS  29   9.079   0.498   2.765
  232   1HE   LYS  29          1HE       LYS  29   7.701   1.425   4.611
  233   2HE   LYS  29          2HE       LYS  29   8.005  -0.028   5.583
  234   1HZ   LYS  29          1HZ       LYS  29  10.032   1.887   4.665
  235   2HZ   LYS  29          2HZ       LYS  29   9.416   1.782   6.189
  236   3HZ   LYS  29          3HZ       LYS  29  10.320   0.546   5.581
  237    H    LEU  30           H        LEU  30   3.841   0.637   3.443
  238    HA   LEU  30           HA       LEU  30   3.178  -1.475   5.253
  239   1HB   LEU  30          1HB       LEU  30   2.081   1.288   4.703
  240   2HB   LEU  30          2HB       LEU  30   1.118   0.203   5.691
  241    HG   LEU  30           HG       LEU  30   2.552   1.763   6.976
  242   1HD1  LEU  30          3HD1      LEU  30   1.630  -0.293   7.967
  243   2HD1  LEU  30          1HD1      LEU  30   3.084  -1.192   7.491
  244   3HD1  LEU  30          2HD1      LEU  30   3.202   0.130   8.663
  245   1HD2  LEU  30          1HD2      LEU  30   4.603   1.716   5.608
  246   2HD2  LEU  30          2HD2      LEU  30   4.926   1.292   7.293
  247   3HD2  LEU  30          3HD2      LEU  30   4.884   0.019   6.062
  248    H    LEU  31           H        LEU  31   1.331  -0.216   2.506
  249    HA   LEU  31           HA       LEU  31  -0.900  -1.911   2.682
  250   1HB   LEU  31          1HB       LEU  31  -0.589   0.002   1.151
  251   2HB   LEU  31          2HB       LEU  31   0.491  -0.951   0.145
  252    HG   LEU  31           HG       LEU  31  -2.358  -1.798   0.706
  253   1HD1  LEU  31          1HD1      LEU  31  -1.255  -0.013  -1.510
  254   2HD1  LEU  31          2HD1      LEU  31  -2.891  -0.682  -1.508
  255   3HD1  LEU  31          3HD1      LEU  31  -2.412   0.471  -0.252
  256   1HD2  LEU  31          3HD2      LEU  31  -0.408  -2.452  -1.553
  257   2HD2  LEU  31          1HD2      LEU  31  -1.021  -3.591  -0.333
  258   3HD2  LEU  31          2HD2      LEU  31  -2.117  -2.921  -1.532
  259    H    LEU  32           H        LEU  32   2.120  -2.460   0.913
  260    HA   LEU  32           HA       LEU  32   1.483  -5.128   0.054
  261   1HB   LEU  32          1HB       LEU  32   4.215  -3.873   0.616
  262   2HB   LEU  32          2HB       LEU  32   3.946  -5.408  -0.221
  263    HG   LEU  32           HG       LEU  32   3.218  -2.628  -1.223
  264   1HD1  LEU  32          3HD1      LEU  32   5.594  -3.316  -1.381
  265   2HD1  LEU  32          1HD1      LEU  32   5.101  -4.763  -2.287
  266   3HD1  LEU  32          2HD1      LEU  32   4.825  -3.147  -2.969
  267   1HD2  LEU  32          3HD2      LEU  32   2.538  -5.317  -2.424
  268   2HD2  LEU  32          1HD2      LEU  32   1.408  -4.038  -1.929
  269   3HD2  LEU  32          2HD2      LEU  32   2.497  -3.769  -3.295
  270    H    GLN  33           H        GLN  33   3.388  -3.971   2.885
  271    HA   GLN  33           HA       GLN  33   4.053  -6.481   3.882
  272   1HB   GLN  33          1HB       GLN  33   5.018  -4.337   4.627
  273   2HB   GLN  33          2HB       GLN  33   3.487  -3.905   5.408
  274   1HG   GLN  33          1HG       GLN  33   3.766  -5.698   7.041
  275   2HG   GLN  33          2HG       GLN  33   5.139  -6.363   6.141
  276   1HE2  GLN  33          1HE2      GLN  33   5.761  -2.726   8.021
  277   2HE2  GLN  33          2HE2      GLN  33   4.193  -3.064   7.309
  278    H    THR  34           H        THR  34   1.113  -4.600   4.500
  279    HA   THR  34           HA       THR  34   0.145  -6.578   6.424
  280    HB   THR  34           HB       THR  34  -1.625  -4.565   5.070
  281    HG1  THR  34           HG1      THR  34   0.279  -3.456   5.776
  282   1HG2  THR  34          3HG2      THR  34  -2.611  -6.199   6.682
  283   2HG2  THR  34          1HG2      THR  34  -1.490  -5.615   7.930
  284   3HG2  THR  34          2HG2      THR  34  -2.734  -4.535   7.273
  285    H    GLU  35           H        GLU  35  -0.696  -5.718   3.003
  286    HA   GLU  35           HA       GLU  35  -2.810  -7.756   3.011
  287   1HB   GLU  35          1HB       GLU  35  -2.106  -5.485   1.086
  288   2HB   GLU  35          2HB       GLU  35  -3.537  -6.514   1.023
  289   1HG   GLU  35          1HG       GLU  35  -2.718  -4.517   3.188
  290   2HG   GLU  35          2HG       GLU  35  -4.012  -4.341   2.046
  291    H    PHE  36           H        PHE  36   0.354  -7.276   1.588
  292    HA   PHE  36           HA       PHE  36   0.122  -9.840   0.117
  293   1HB   PHE  36          1HB       PHE  36   0.948  -7.210  -1.153
  294   2HB   PHE  36          2HB       PHE  36   1.068  -8.804  -1.882
  295    HD1  PHE  36           HD1      PHE  36  -1.027 -10.157  -2.350
  296    HD2  PHE  36           HD2      PHE  36  -1.049  -5.944  -1.427
  297    HE1  PHE  36           HE1      PHE  36  -3.103  -9.888  -3.668
  298    HE2  PHE  36           HE2      PHE  36  -3.106  -5.669  -2.835
  299    HZ   PHE  36           HZ       PHE  36  -4.088  -7.652  -3.980
  300    HA   PRO  37           HA       PRO  37   4.225  -9.276   2.392
  301   1HB   PRO  37          1HB       PRO  37   3.478 -12.202   2.640
  302   2HB   PRO  37          2HB       PRO  37   4.425 -11.195   3.776
  303   1HG   PRO  37          1HG       PRO  37   1.807 -11.673   4.283
  304   2HG   PRO  37          2HG       PRO  37   2.446 -10.013   4.461
  305   1HD   PRO  37          1HD       PRO  37   0.870 -11.159   2.146
  306   2HD   PRO  37          2HD       PRO  37   0.710  -9.584   2.978
  307    H    SER  38           H        SER  38   2.817 -11.432  -0.073
  308    HA   SER  38           HA       SER  38   5.128 -12.720  -1.114
  309   1HB   SER  38          1HB       SER  38   3.469 -12.708  -3.154
  310   2HB   SER  38          2HB       SER  38   2.983 -13.562  -1.675
  311    HG   SER  38           HG       SER  38   1.327 -12.143  -2.435
  312    H    LEU  39           H        LEU  39   3.267  -9.869  -2.107
  313    HA   LEU  39           HA       LEU  39   5.123  -8.965  -4.094
  314   1HB   LEU  39          1HB       LEU  39   2.947  -7.566  -2.549
  315   2HB   LEU  39          2HB       LEU  39   3.853  -6.782  -3.862
  316    HG   LEU  39           HG       LEU  39   2.112  -9.268  -4.143
  317   1HD1  LEU  39          3HD1      LEU  39   0.878  -7.100  -3.763
  318   2HD1  LEU  39          1HD1      LEU  39   1.703  -6.422  -5.175
  319   3HD1  LEU  39          2HD1      LEU  39   0.587  -7.790  -5.365
  320   1HD2  LEU  39          3HD2      LEU  39   3.675  -7.673  -6.223
  321   2HD2  LEU  39          1HD2      LEU  39   3.863  -9.399  -5.831
  322   3HD2  LEU  39          2HD2      LEU  39   2.391  -8.834  -6.616
  323    H    LEU  40           H        LEU  40   4.741  -8.151  -0.648
  324    HA   LEU  40           HA       LEU  40   6.698  -6.105  -0.577
  325   1HB   LEU  40          1HB       LEU  40   5.237  -6.807   1.392
  326   2HB   LEU  40          2HB       LEU  40   6.313  -8.192   1.595
  327    HG   LEU  40           HG       LEU  40   8.248  -6.422   1.718
  328   1HD1  LEU  40          1HD1      LEU  40   5.845  -4.667   2.376
  329   2HD1  LEU  40          2HD1      LEU  40   7.546  -4.243   2.634
  330   3HD1  LEU  40          3HD1      LEU  40   6.931  -4.456   0.989
  331   1HD2  LEU  40          3HD2      LEU  40   6.245  -6.689   3.974
  332   2HD2  LEU  40          1HD2      LEU  40   7.562  -7.813   3.596
  333   3HD2  LEU  40          2HD2      LEU  40   7.930  -6.161   4.122
  334    H    LYS  41           H        LYS  41   7.120  -9.617  -0.241
  335    HA   LYS  41           HA       LYS  41   9.969  -9.478   0.084
  336   1HB   LYS  41          1HB       LYS  41   8.024 -11.734  -0.505
  337   2HB   LYS  41          2HB       LYS  41   9.753 -11.983  -0.237
  338   1HG   LYS  41          1HG       LYS  41   9.643 -11.074   2.001
  339   2HG   LYS  41          2HG       LYS  41   7.962 -10.564   1.781
  340   1HD   LYS  41          1HD       LYS  41   7.263 -12.921   1.486
  341   2HD   LYS  41          2HD       LYS  41   8.942 -13.453   1.729
  342   1HE   LYS  41          1HE       LYS  41   8.920 -12.449   4.011
  343   2HE   LYS  41          2HE       LYS  41   7.248 -11.913   3.758
  344   1HZ   LYS  41          3HZ       LYS  41   6.614 -14.203   3.535
  345   2HZ   LYS  41          1HZ       LYS  41   8.167 -14.702   3.770
  346   3HZ   LYS  41          2HZ       LYS  41   7.352 -13.945   4.985
  347    H    GLY  42           H        GLY  42   7.941 -10.427  -2.676
  348   1HA   GLY  42          1HA       GLY  42  10.407 -10.603  -4.399
  349   2HA   GLY  42          2HA       GLY  42   8.980 -11.631  -4.507
  350    H    GLY  43           H        GLY  43   7.789  -8.512  -4.084
  351   1HA   GLY  43          1HA       GLY  43   6.992  -8.345  -6.898
  352   2HA   GLY  43          2HA       GLY  43   6.553  -7.252  -5.582
  353    H    SER  44           H        SER  44   9.500  -8.283  -7.330
  354    HA   SER  44           HA       SER  44  11.392  -7.188  -7.959
  355   1HB   SER  44          1HB       SER  44   9.841  -5.952  -9.437
  356   2HB   SER  44          2HB       SER  44   9.596  -4.724  -8.184
  357    HG   SER  44           HG       SER  44  11.232  -4.247  -9.823
  358    H    THR  45           H        THR  45  11.826  -4.288  -7.235
  359    HA   THR  45           HA       THR  45  12.123  -4.495  -4.253
  360    HB   THR  45           HB       THR  45  13.984  -2.808  -4.563
  361    HG1  THR  45           HG1      THR  45  13.875  -3.737  -7.245
  362   1HG2  THR  45          3HG2      THR  45  14.465  -5.189  -4.095
  363   2HG2  THR  45          1HG2      THR  45  14.414  -5.557  -5.831
  364   3HG2  THR  45          2HG2      THR  45  15.678  -4.490  -5.184
  365    H    LEU  46           H        LEU  46  11.415  -2.664  -3.118
  366    HA   LEU  46           HA       LEU  46   9.046  -1.669  -4.030
  367   1HB   LEU  46          1HB       LEU  46   9.704  -1.712  -1.656
  368   2HB   LEU  46          2HB       LEU  46  10.952  -0.495  -1.960
  369    HG   LEU  46           HG       LEU  46   9.215   1.195  -2.476
  370   1HD1  LEU  46          1HD1      LEU  46   7.249  -1.016  -1.698
  371   2HD1  LEU  46          2HD1      LEU  46   6.837   0.698  -1.896
  372   3HD1  LEU  46          3HD1      LEU  46   7.374  -0.240  -3.293
  373   1HD2  LEU  46          1HD2      LEU  46  10.098   0.951  -0.193
  374   2HD2  LEU  46          2HD2      LEU  46   8.400   1.455  -0.175
  375   3HD2  LEU  46          3HD2      LEU  46   8.827  -0.233   0.182
  376    H    ASP  47           H        ASP  47  12.126   0.095  -4.113
  377    HA   ASP  47           HA       ASP  47  11.125   2.501  -5.167
  378   1HB   ASP  47          1HB       ASP  47  13.851   1.180  -5.570
  379   2HB   ASP  47          2HB       ASP  47  13.465   2.871  -5.898
  380    H    GLU  48           H        GLU  48  12.415  -0.332  -6.880
  381    HA   GLU  48           HA       GLU  48  12.040   0.766  -9.508
  382   1HB   GLU  48          1HB       GLU  48  12.208  -2.146  -8.614
  383   2HB   GLU  48          2HB       GLU  48  12.341  -1.567 -10.284
  384   1HG   GLU  48          1HG       GLU  48  14.264  -0.881  -8.005
  385   2HG   GLU  48          2HG       GLU  48  14.565  -2.010  -9.326
  386    H    LEU  49           H        LEU  49  10.013  -1.273  -7.426
  387    HA   LEU  49           HA       LEU  49   7.883  -1.632  -9.269
  388   1HB   LEU  49          1HB       LEU  49   8.090  -2.924  -7.187
  389   2HB   LEU  49          2HB       LEU  49   7.861  -1.458  -6.233
  390    HG   LEU  49           HG       LEU  49   5.555  -1.217  -7.125
  391   1HD1  LEU  49          1HD1      LEU  49   6.140  -3.895  -8.478
  392   2HD1  LEU  49          2HD1      LEU  49   4.527  -3.175  -8.301
  393   3HD1  LEU  49          3HD1      LEU  49   5.741  -2.367  -9.295
  394   1HD2  LEU  49          1HD2      LEU  49   6.006  -2.396  -5.010
  395   2HD2  LEU  49          2HD2      LEU  49   4.602  -3.083  -5.847
  396   3HD2  LEU  49          3HD2      LEU  49   6.161  -3.932  -5.888
  397    H    PHE  50           H        PHE  50   8.476   0.872  -6.814
  398    HA   PHE  50           HA       PHE  50   6.138   2.384  -7.159
  399   1HB   PHE  50          1HB       PHE  50   7.796   2.620  -5.333
  400   2HB   PHE  50          2HB       PHE  50   8.941   3.331  -6.453
  401    HD1  PHE  50           HD1      PHE  50   5.679   3.784  -4.768
  402    HD2  PHE  50           HD2      PHE  50   8.721   5.703  -7.129
  403    HE1  PHE  50           HE1      PHE  50   5.002   5.962  -3.843
  404    HE2  PHE  50           HE2      PHE  50   8.051   7.903  -6.194
  405    HZ   PHE  50           HZ       PHE  50   6.330   8.005  -4.402
  406    H    GLU  51           H        GLU  51   9.339   2.794  -8.786
  407    HA   GLU  51           HA       GLU  51   8.472   4.874 -10.535
  408   1HB   GLU  51          1HB       GLU  51  10.604   2.728 -10.948
  409   2HB   GLU  51          2HB       GLU  51  10.395   4.159 -11.969
  410   1HG   GLU  51          1HG       GLU  51  11.087   4.214  -8.993
  411   2HG   GLU  51          2HG       GLU  51  12.205   4.479 -10.329
  412    H    GLU  52           H        GLU  52   8.470   1.352 -10.972
  413    HA   GLU  52           HA       GLU  52   7.482   1.275 -13.607
  414   1HB   GLU  52          1HB       GLU  52   8.403  -0.672 -12.334
  415   2HB   GLU  52          2HB       GLU  52   6.909  -0.722 -11.384
  416   1HG   GLU  52          1HG       GLU  52   5.609  -1.133 -13.478
  417   2HG   GLU  52          2HG       GLU  52   7.127  -1.128 -14.392
  418    H    LEU  53           H        LEU  53   5.707   1.538 -10.539
  419    HA   LEU  53           HA       LEU  53   3.106   1.433 -11.828
  420   1HB   LEU  53          1HB       LEU  53   3.952   2.269  -9.029
  421   2HB   LEU  53          2HB       LEU  53   2.300   2.040  -9.606
  422    HG   LEU  53           HG       LEU  53   4.382  -0.163  -9.400
  423   1HD1  LEU  53          3HD1      LEU  53   3.532   0.693  -7.224
  424   2HD1  LEU  53          1HD1      LEU  53   1.871   0.358  -7.767
  425   3HD1  LEU  53          2HD1      LEU  53   3.030  -0.971  -7.557
  426   1HD2  LEU  53          3HD2      LEU  53   1.475  -0.317 -10.231
  427   2HD2  LEU  53          1HD2      LEU  53   2.903  -0.662 -11.244
  428   3HD2  LEU  53          2HD2      LEU  53   2.547  -1.698  -9.875
  429    H    ASP  54           H        ASP  54   5.063   4.059 -10.436
  430    HA   ASP  54           HA       ASP  54   3.045   6.038 -11.024
  431   1HB   ASP  54          1HB       ASP  54   4.475   6.331  -9.097
  432   2HB   ASP  54          2HB       ASP  54   5.900   6.398 -10.130
  433    H    LYS  55           H        LYS  55   3.126   5.043 -13.385
  434    HA   LYS  55           HA       LYS  55   5.175   5.840 -15.166
  435   1HB   LYS  55          1HB       LYS  55   2.266   5.071 -15.537
  436   2HB   LYS  55          2HB       LYS  55   3.294   5.468 -16.924
  437   1HG   LYS  55          1HG       LYS  55   4.258   3.472 -14.864
  438   2HG   LYS  55          2HG       LYS  55   3.115   2.963 -16.111
  439   1HD   LYS  55          1HD       LYS  55   4.611   3.434 -17.887
  440   2HD   LYS  55          2HD       LYS  55   5.650   4.455 -16.890
  441   1HE   LYS  55          1HE       LYS  55   6.666   2.241 -17.398
  442   2HE   LYS  55          2HE       LYS  55   6.525   2.583 -15.666
  443   1HZ   LYS  55          1HZ       LYS  55   4.589   0.954 -17.154
  444   2HZ   LYS  55          2HZ       LYS  55   5.864   0.345 -16.297
  445   3HZ   LYS  55          3HZ       LYS  55   4.689   1.186 -15.513
  446    H    ASN  56           H        ASN  56   2.347   7.617 -14.021
  447    HA   ASN  56           HA       ASN  56   2.791   9.768 -15.958
  448   1HB   ASN  56          1HB       ASN  56   0.920  10.731 -15.275
  449   2HB   ASN  56          2HB       ASN  56   0.554   9.119 -14.676
  450   1HD2  ASN  56          1HD2      ASN  56   1.221  10.153 -11.207
  451   2HD2  ASN  56          2HD2      ASN  56   1.724   8.899 -12.319
  452    H    GLY  57           H        GLY  57   4.527   8.825 -13.197
  453   1HA   GLY  57          1HA       GLY  57   6.279   9.766 -12.154
  454   2HA   GLY  57          2HA       GLY  57   6.352  10.892 -13.513
  455    H    ASP  58           H        ASP  58   3.623  10.683 -11.128
  456    HA   ASP  58           HA       ASP  58   3.959  13.511 -10.600
  457   1HB   ASP  58          1HB       ASP  58   1.988  13.389  -9.392
  458   2HB   ASP  58          2HB       ASP  58   1.751  12.425 -10.835
  459    H    GLY  59           H        GLY  59   5.360  10.689  -9.206
  460   1HA   GLY  59          1HA       GLY  59   7.135  10.875  -7.668
  461   2HA   GLY  59          2HA       GLY  59   6.425  12.318  -6.940
  462    H    GLU  60           H        GLU  60   3.894  10.190  -7.442
  463    HA   GLU  60           HA       GLU  60   4.232   8.328  -5.216
  464   1HB   GLU  60          1HB       GLU  60   2.072  10.469  -5.381
  465   2HB   GLU  60          2HB       GLU  60   1.989   9.044  -4.343
  466   1HG   GLU  60          1HG       GLU  60   4.154   9.855  -3.254
  467   2HG   GLU  60          2HG       GLU  60   3.916  11.378  -4.125
  468    H    VAL  61           H        VAL  61   2.168   6.887  -5.313
  469    HA   VAL  61           HA       VAL  61   1.650   6.388  -8.229
  470    HB   VAL  61           HB       VAL  61   1.250   4.470  -5.919
  471   1HG1  VAL  61          3HG1      VAL  61  -0.010   4.072  -8.085
  472   2HG1  VAL  61          1HG1      VAL  61   1.560   4.073  -8.918
  473   3HG1  VAL  61          2HG1      VAL  61   1.180   2.815  -7.714
  474   1HG2  VAL  61          3HG2      VAL  61   3.631   4.766  -7.812
  475   2HG2  VAL  61          1HG2      VAL  61   3.649   4.993  -6.052
  476   3HG2  VAL  61          2HG2      VAL  61   3.359   3.390  -6.745
  477    H    SER  62           H        SER  62  -0.279   7.188  -8.925
  478    HA   SER  62           HA       SER  62  -2.486   7.648  -7.072
  479   1HB   SER  62          1HB       SER  62  -3.670   8.493  -9.047
  480   2HB   SER  62          2HB       SER  62  -2.098   9.269  -8.802
  481    HG   SER  62           HG       SER  62  -1.256   8.126 -10.472
  482    H    PHE  63           H        PHE  63  -4.598   6.654  -7.249
  483    HA   PHE  63           HA       PHE  63  -4.581   3.893  -7.398
  484   1HB   PHE  63          1HB       PHE  63  -6.348   5.152  -6.280
  485   2HB   PHE  63          2HB       PHE  63  -6.982   5.699  -7.834
  486    HD1  PHE  63           HD1      PHE  63  -6.181   2.574  -5.916
  487    HD2  PHE  63           HD2      PHE  63  -8.604   4.327  -9.008
  488    HE1  PHE  63           HE1      PHE  63  -7.495   0.489  -6.052
  489    HE2  PHE  63           HE2      PHE  63  -9.885   2.213  -9.187
  490    HZ   PHE  63           HZ       PHE  63  -9.358   0.296  -7.667
  491    H    GLU  64           H        GLU  64  -5.118   6.074 -10.132
  492    HA   GLU  64           HA       GLU  64  -6.161   4.037 -11.863
  493   1HB   GLU  64          1HB       GLU  64  -6.433   6.471 -12.291
  494   2HB   GLU  64          2HB       GLU  64  -4.689   6.636 -12.556
  495   1HG   GLU  64          1HG       GLU  64  -5.892   6.528 -14.686
  496   2HG   GLU  64          2HG       GLU  64  -4.852   5.113 -14.522
  497    H    GLU  65           H        GLU  65  -2.835   5.513 -11.753
  498    HA   GLU  65           HA       GLU  65  -1.826   3.500 -13.522
  499   1HB   GLU  65          1HB       GLU  65   0.326   4.460 -13.179
  500   2HB   GLU  65          2HB       GLU  65  -0.888   5.734 -13.322
  501   1HG   GLU  65          1HG       GLU  65  -0.945   5.664 -10.703
  502   2HG   GLU  65          2HG       GLU  65   0.584   4.797 -10.842
  503    H    PHE  66           H        PHE  66  -2.190   3.565  -9.998
  504    HA   PHE  66           HA       PHE  66  -0.676   1.319  -9.234
  505   1HB   PHE  66          1HB       PHE  66  -1.775   2.558  -7.575
  506   2HB   PHE  66          2HB       PHE  66  -3.290   2.486  -8.447
  507    HD1  PHE  66           HD1      PHE  66  -1.023   0.341  -6.362
  508    HD2  PHE  66           HD2      PHE  66  -4.931   0.949  -8.031
  509    HE1  PHE  66           HE1      PHE  66  -1.958  -1.396  -4.839
  510    HE2  PHE  66           HE2      PHE  66  -5.809  -0.985  -6.760
  511    HZ   PHE  66           HZ       PHE  66  -4.366  -2.010  -4.970
  512    H    GLN  67           H        GLN  67  -3.630   1.383 -11.286
  513    HA   GLN  67           HA       GLN  67  -4.235  -1.373 -11.053
  514   1HB   GLN  67          1HB       GLN  67  -4.497   0.324 -13.557
  515   2HB   GLN  67          2HB       GLN  67  -5.234  -1.252 -13.261
  516   1HG   GLN  67          1HG       GLN  67  -5.962   1.387 -11.975
  517   2HG   GLN  67          2HG       GLN  67  -6.964   0.277 -12.887
  518   1HE2  GLN  67          1HE2      GLN  67  -6.827   0.038  -8.877
  519   2HE2  GLN  67          2HE2      GLN  67  -6.230   1.396  -9.811
  520    H    VAL  68           H        VAL  68  -1.402   0.057 -12.558
  521    HA   VAL  68           HA       VAL  68  -0.625  -2.165 -14.169
  522    HB   VAL  68           HB       VAL  68   1.017  -0.111 -12.658
  523   1HG1  VAL  68          1HG1      VAL  68   1.888  -2.080 -14.821
  524   2HG1  VAL  68          2HG1      VAL  68   2.852  -0.706 -14.240
  525   3HG1  VAL  68          3HG1      VAL  68   2.473  -2.036 -13.145
  526   1HG2  VAL  68          1HG2      VAL  68  -0.496   0.796 -14.464
  527   2HG2  VAL  68          2HG2      VAL  68   1.218   0.970 -14.857
  528   3HG2  VAL  68          3HG2      VAL  68   0.261  -0.320 -15.611
  529    H    LEU  69           H        LEU  69  -0.585  -1.684 -10.645
  530    HA   LEU  69           HA       LEU  69   1.156  -3.937 -10.080
  531   1HB   LEU  69          1HB       LEU  69   0.812  -2.096  -8.485
  532   2HB   LEU  69          2HB       LEU  69  -0.895  -2.481  -8.338
  533    HG   LEU  69           HG       LEU  69   0.999  -4.728  -7.752
  534   1HD1  LEU  69          1HD1      LEU  69   0.679  -2.313  -5.923
  535   2HD1  LEU  69          2HD1      LEU  69   1.370  -3.879  -5.445
  536   3HD1  LEU  69          3HD1      LEU  69   2.182  -2.902  -6.672
  537   1HD2  LEU  69          3HD2      LEU  69  -1.494  -3.623  -6.359
  538   2HD2  LEU  69          1HD2      LEU  69  -1.468  -5.009  -7.463
  539   3HD2  LEU  69          2HD2      LEU  69  -0.626  -5.099  -5.909
  540    H    VAL  70           H        VAL  70  -2.368  -3.345 -10.272
  541    HA   VAL  70           HA       VAL  70  -3.176  -5.975  -9.506
  542    HB   VAL  70           HB       VAL  70  -4.681  -4.025 -11.326
  543   1HG1  VAL  70          1HG1      VAL  70  -5.635  -6.231  -9.445
  544   2HG1  VAL  70          2HG1      VAL  70  -6.674  -5.124 -10.367
  545   3HG1  VAL  70          3HG1      VAL  70  -5.662  -6.298 -11.221
  546   1HG2  VAL  70          3HG2      VAL  70  -4.372  -4.183  -8.318
  547   2HG2  VAL  70          1HG2      VAL  70  -4.076  -2.775  -9.329
  548   3HG2  VAL  70          2HG2      VAL  70  -5.735  -3.330  -9.088
  549    H    LYS  71           H        LYS  71  -2.467  -4.500 -12.693
  550    HA   LYS  71           HA       LYS  71  -2.843  -6.772 -14.312
  551   1HB   LYS  71          1HB       LYS  71  -2.411  -4.691 -15.355
  552   2HB   LYS  71          2HB       LYS  71  -0.878  -4.479 -14.508
  553   1HG   LYS  71          1HG       LYS  71   0.134  -6.335 -15.693
  554   2HG   LYS  71          2HG       LYS  71  -1.399  -6.698 -16.517
  555   1HD   LYS  71          1HD       LYS  71  -1.343  -4.478 -17.606
  556   2HD   LYS  71          2HD       LYS  71   0.155  -4.070 -16.753
  557   1HE   LYS  71          1HE       LYS  71  -0.167  -6.394 -18.718
  558   2HE   LYS  71          2HE       LYS  71   0.527  -4.815 -19.114
  559   1HZ   LYS  71          3HZ       LYS  71   2.225  -5.216 -17.477
  560   2HZ   LYS  71          1HZ       LYS  71   1.616  -6.711 -17.145
  561   3HZ   LYS  71          2HZ       LYS  71   2.222  -6.384 -18.639
  562    H    LYS  72           H        LYS  72   0.159  -5.729 -12.699
  563    HA   LYS  72           HA       LYS  72   1.693  -7.996 -13.200
  564   1HB   LYS  72          1HB       LYS  72   1.825  -5.840 -11.167
  565   2HB   LYS  72          2HB       LYS  72   2.624  -7.348 -10.726
  566   1HG   LYS  72          1HG       LYS  72   4.233  -5.944 -11.824
  567   2HG   LYS  72          2HG       LYS  72   3.882  -7.351 -12.831
  568   1HD   LYS  72          1HD       LYS  72   2.227  -5.815 -14.125
  569   2HD   LYS  72          2HD       LYS  72   2.891  -4.486 -13.167
  570   1HE   LYS  72          1HE       LYS  72   3.988  -4.552 -15.326
  571   2HE   LYS  72          2HE       LYS  72   5.169  -5.015 -14.089
  572   1HZ   LYS  72          1HZ       LYS  72   3.634  -6.923 -15.723
  573   2HZ   LYS  72          2HZ       LYS  72   5.175  -6.423 -16.064
  574   3HZ   LYS  72          3HZ       LYS  72   4.865  -7.274 -14.690
  575    H    ILE  73           H        ILE  73  -0.594  -7.630 -10.501
  576    HA   ILE  73           HA       ILE  73  -0.111 -10.236  -9.392
  577    HB   ILE  73           HB       ILE  73  -2.697  -8.627  -9.357
  578   1HG1  ILE  73          1HG1      ILE  73  -0.437  -8.895  -7.323
  579   2HG1  ILE  73          2HG1      ILE  73  -0.842  -7.451  -8.258
  580   1HG2  ILE  73          3HG2      ILE  73  -3.062 -11.083  -8.916
  581   2HG2  ILE  73          1HG2      ILE  73  -1.873 -10.981  -7.602
  582   3HG2  ILE  73          2HG2      ILE  73  -3.405 -10.086  -7.525
  583   1HD1  ILE  73          3HD1      ILE  73  -3.092  -7.393  -7.151
  584   2HD1  ILE  73          1HD1      ILE  73  -2.536  -8.702  -6.076
  585   3HD1  ILE  73          2HD1      ILE  73  -1.719  -7.147  -6.056
  586    H    SER  74           H        SER  74  -2.548  -9.144 -11.741
  587    HA   SER  74           HA       SER  74  -3.770 -11.671 -11.989
  588   1HB   SER  74          1HB       SER  74  -4.938 -10.780 -13.931
  589   2HB   SER  74          2HB       SER  74  -4.873  -9.583 -12.625
  590    HG   SER  74           HG       SER  74  -2.887  -8.834 -13.808
  591    H    GLN  75           H        GLN  75  -1.230 -10.252 -14.032
  592    HA   GLN  75           HA       GLN  75  -1.206 -12.468 -15.877
  593   1HB   GLN  75          1HB       GLN  75   0.826 -11.569 -16.777
  594   2HB   GLN  75          2HB       GLN  75  -0.318 -10.257 -16.467
  595   1HG   GLN  75          1HG       GLN  75   0.895  -9.708 -14.375
  596   2HG   GLN  75          2HG       GLN  75   2.072 -10.976 -14.694
  597   1HE2  GLN  75          1HE2      GLN  75   3.604  -9.237 -17.477
  598   2HE2  GLN  75          2HE2      GLN  75   3.134 -10.845 -16.957
   
  No H/Q in entry =         598
  Start of MODEL          11
 Raw file had  599 H/Q atoms
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  -9.621 -10.950  -5.048
    2   2H    LYS   1          2H        LYS   1  -8.264  -9.969  -5.199
    3   3H    LYS   1          3H        LYS   1  -8.539 -10.809  -3.769
    4    HA   LYS   1           HA       LYS   1 -10.515  -9.556  -3.361
    5   1HB   LYS   1          1HB       LYS   1  -8.028  -7.918  -3.995
    6   2HB   LYS   1          2HB       LYS   1  -9.352  -7.343  -2.977
    7   1HG   LYS   1          1HG       LYS   1  -7.613  -9.778  -2.361
    8   2HG   LYS   1          2HG       LYS   1  -7.346  -8.149  -1.723
    9   1HD   LYS   1          1HD       LYS   1  -9.617  -8.194  -0.672
   10   2HD   LYS   1          2HD       LYS   1  -9.817  -9.872  -1.218
   11   1HE   LYS   1          1HE       LYS   1  -7.806 -10.538   0.074
   12   2HE   LYS   1          2HE       LYS   1  -7.595  -8.864   0.617
   13   1HZ   LYS   1          3HZ       LYS   1  -9.725  -9.000   1.680
   14   2HZ   LYS   1          1HZ       LYS   1  -9.925 -10.558   1.181
   15   3HZ   LYS   1          2HZ       LYS   1  -8.719 -10.178   2.240
   16    H    SER   2           H        SER   2 -12.081  -8.110  -4.122
   17    HA   SER   2           HA       SER   2 -12.291  -7.779  -6.974
   18   1HB   SER   2          1HB       SER   2 -14.317  -6.455  -6.407
   19   2HB   SER   2          2HB       SER   2 -14.280  -7.994  -5.536
   20    HG   SER   2           HG       SER   2 -13.707  -6.946  -3.697
   21    HA   PRO   3           HA       PRO   3 -10.254  -3.782  -7.566
   22   1HB   PRO   3          1HB       PRO   3 -12.912  -3.024  -8.819
   23   2HB   PRO   3          2HB       PRO   3 -11.263  -2.639  -9.395
   24   1HG   PRO   3          1HG       PRO   3 -12.615  -4.697 -10.521
   25   2HG   PRO   3          2HG       PRO   3 -10.901  -4.925 -10.058
   26   1HD   PRO   3          1HD       PRO   3 -13.371  -5.814  -8.556
   27   2HD   PRO   3          2HD       PRO   3 -11.847  -6.699  -8.874
   28    H    GLU   4           H        GLU   4 -13.618  -3.921  -6.348
   29    HA   GLU   4           HA       GLU   4 -13.683  -1.370  -5.088
   30   1HB   GLU   4          1HB       GLU   4 -15.175  -3.950  -4.433
   31   2HB   GLU   4          2HB       GLU   4 -15.576  -2.344  -3.810
   32   1HG   GLU   4          1HG       GLU   4 -16.020  -1.527  -6.092
   33   2HG   GLU   4          2HG       GLU   4 -15.588  -3.100  -6.775
   34    H    GLU   5           H        GLU   5 -12.761  -4.592  -3.890
   35    HA   GLU   5           HA       GLU   5 -12.236  -3.729  -1.163
   36   1HB   GLU   5          1HB       GLU   5 -11.322  -6.098  -2.818
   37   2HB   GLU   5          2HB       GLU   5 -10.759  -5.838  -1.162
   38   1HG   GLU   5          1HG       GLU   5 -12.937  -6.054  -0.236
   39   2HG   GLU   5          2HG       GLU   5 -13.727  -5.920  -1.809
   40    H    LEU   6           H        LEU   6 -10.266  -4.137  -4.084
   41    HA   LEU   6           HA       LEU   6  -7.798  -3.304  -2.931
   42   1HB   LEU   6          1HB       LEU   6  -8.852  -3.231  -5.782
   43   2HB   LEU   6          2HB       LEU   6  -7.205  -2.849  -5.319
   44    HG   LEU   6           HG       LEU   6  -8.614  -5.547  -5.031
   45   1HD1  LEU   6          3HD1      LEU   6  -7.672  -4.948  -7.268
   46   2HD1  LEU   6          1HD1      LEU   6  -6.080  -4.753  -6.491
   47   3HD1  LEU   6          2HD1      LEU   6  -6.867  -6.343  -6.518
   48   1HD2  LEU   6          3HD2      LEU   6  -5.964  -4.631  -3.876
   49   2HD2  LEU   6          1HD2      LEU   6  -7.312  -5.440  -3.036
   50   3HD2  LEU   6          2HD2      LEU   6  -6.338  -6.340  -4.196
   51    H    LYS   7           H        LYS   7 -10.348  -1.374  -4.516
   52    HA   LYS   7           HA       LYS   7  -9.058   1.133  -4.181
   53   1HB   LYS   7          1HB       LYS   7 -11.228   0.714  -5.450
   54   2HB   LYS   7          2HB       LYS   7 -12.042   0.541  -3.909
   55   1HG   LYS   7          1HG       LYS   7 -12.509   2.730  -4.566
   56   2HG   LYS   7          2HG       LYS   7 -11.298   2.883  -3.294
   57   1HD   LYS   7          1HD       LYS   7  -9.545   3.043  -5.203
   58   2HD   LYS   7          2HD       LYS   7 -10.919   3.185  -6.302
   59   1HE   LYS   7          1HE       LYS   7 -10.110   5.056  -4.031
   60   2HE   LYS   7          2HE       LYS   7 -10.083   5.395  -5.766
   61   1HZ   LYS   7          3HZ       LYS   7 -12.494   5.180  -5.740
   62   2HZ   LYS   7          1HZ       LYS   7 -12.463   4.957  -4.103
   63   3HZ   LYS   7          2HZ       LYS   7 -11.965   6.386  -4.749
   64    H    GLY   8           H        GLY   8 -11.177  -0.690  -2.009
   65   1HA   GLY   8          1HA       GLY   8 -11.323   1.094   0.178
   66   2HA   GLY   8          2HA       GLY   8 -11.359  -0.677   0.311
   67    H    ILE   9           H        ILE   9  -8.965  -1.488  -0.452
   68    HA   ILE   9           HA       ILE   9  -7.149  -1.061   1.671
   69    HB   ILE   9           HB       ILE   9  -6.918  -2.267  -1.062
   70   1HG1  ILE   9          1HG1      ILE   9  -8.382  -3.228   0.668
   71   2HG1  ILE   9          2HG1      ILE   9  -7.083  -4.324   0.158
   72   1HG2  ILE   9          1HG2      ILE   9  -4.724  -2.234   1.017
   73   2HG2  ILE   9          2HG2      ILE   9  -4.800  -3.263  -0.437
   74   3HG2  ILE   9          3HG2      ILE   9  -4.686  -1.517  -0.599
   75   1HD1  ILE   9          3HD1      ILE   9  -5.916  -3.569   2.385
   76   2HD1  ILE   9          1HD1      ILE   9  -7.485  -2.866   2.808
   77   3HD1  ILE   9          2HD1      ILE   9  -7.354  -4.593   2.501
   78    H    PHE  10           H        PHE  10  -7.032   0.142  -1.724
   79    HA   PHE  10           HA       PHE  10  -4.694   1.632  -1.572
   80   1HB   PHE  10          1HB       PHE  10  -6.060   1.120  -3.617
   81   2HB   PHE  10          2HB       PHE  10  -7.252   2.276  -3.088
   82    HD1  PHE  10           HD1      PHE  10  -6.620   4.722  -2.808
   83    HD2  PHE  10           HD2      PHE  10  -3.996   1.853  -4.697
   84    HE1  PHE  10           HE1      PHE  10  -5.053   6.483  -3.388
   85    HE2  PHE  10           HE2      PHE  10  -2.639   3.737  -5.609
   86    HZ   PHE  10           HZ       PHE  10  -3.179   6.059  -4.965
   87    H    GLU  11           H        GLU  11  -8.041   2.657  -0.774
   88    HA   GLU  11           HA       GLU  11  -7.300   5.318   0.027
   89   1HB   GLU  11          1HB       GLU  11  -9.791   3.667   0.605
   90   2HB   GLU  11          2HB       GLU  11  -9.557   5.358   1.087
   91   1HG   GLU  11          1HG       GLU  11  -9.109   5.945  -1.326
   92   2HG   GLU  11          2HG       GLU  11  -9.538   4.291  -1.771
   93    H    LYS  12           H        LYS  12  -7.871   2.308   1.928
   94    HA   LYS  12           HA       LYS  12  -7.545   3.223   4.524
   95   1HB   LYS  12          1HB       LYS  12  -8.016   0.954   4.241
   96   2HB   LYS  12          2HB       LYS  12  -6.669   0.673   3.140
   97   1HG   LYS  12          1HG       LYS  12  -5.016   0.853   4.832
   98   2HG   LYS  12          2HG       LYS  12  -6.238   1.236   6.072
   99   1HD   LYS  12          1HD       LYS  12  -6.037  -1.342   4.427
  100   2HD   LYS  12          2HD       LYS  12  -5.410  -1.131   6.068
  101   1HE   LYS  12          1HE       LYS  12  -7.758  -0.639   6.847
  102   2HE   LYS  12          2HE       LYS  12  -8.337  -1.030   5.213
  103   1HZ   LYS  12          3HZ       LYS  12  -7.412  -3.204   5.458
  104   2HZ   LYS  12          1HZ       LYS  12  -6.876  -2.854   6.977
  105   3HZ   LYS  12          2HZ       LYS  12  -8.493  -2.892   6.662
  106    H    TYR  13           H        TYR  13  -4.910   2.331   2.260
  107    HA   TYR  13           HA       TYR  13  -2.911   3.228   4.208
  108   1HB   TYR  13          1HB       TYR  13  -2.666   2.145   1.407
  109   2HB   TYR  13          2HB       TYR  13  -1.304   2.609   2.432
  110    HD1  TYR  13           HD1      TYR  13  -1.012   1.575   4.697
  111    HD2  TYR  13           HD2      TYR  13  -3.921   0.076   1.958
  112    HE1  TYR  13           HE1      TYR  13  -1.145  -0.556   5.987
  113    HE2  TYR  13           HE2      TYR  13  -4.068  -2.037   3.181
  114    HH   TYR  13           HH       TYR  13  -1.982  -2.854   5.888
  115    H    ALA  14           H        ALA  14  -4.077   4.484   1.076
  116    HA   ALA  14           HA       ALA  14  -2.304   6.693   0.896
  117   1HB   ALA  14          3HB       ALA  14  -3.727   5.851  -0.956
  118   2HB   ALA  14          1HB       ALA  14  -5.159   6.474  -0.114
  119   3HB   ALA  14          2HB       ALA  14  -3.908   7.587  -0.714
  120    H    ALA  15           H        ALA  15  -5.492   6.505   2.417
  121    HA   ALA  15           HA       ALA  15  -5.809   9.177   3.227
  122   1HB   ALA  15          3HB       ALA  15  -7.583   7.482   3.426
  123   2HB   ALA  15          1HB       ALA  15  -6.645   6.641   4.692
  124   3HB   ALA  15          2HB       ALA  15  -7.279   8.271   4.987
  125    H    LYS  16           H        LYS  16  -3.677   6.637   4.539
  126    HA   LYS  16           HA       LYS  16  -3.268   7.823   7.094
  127   1HB   LYS  16          1HB       LYS  16  -2.731   5.449   6.230
  128   2HB   LYS  16          2HB       LYS  16  -1.221   6.147   5.603
  129   1HG   LYS  16          1HG       LYS  16  -0.714   6.967   7.931
  130   2HG   LYS  16          2HG       LYS  16  -2.151   6.120   8.508
  131   1HD   LYS  16          1HD       LYS  16   0.344   4.916   7.217
  132   2HD   LYS  16          2HD       LYS  16  -0.166   4.747   8.898
  133   1HE   LYS  16          1HE       LYS  16  -1.503   3.539   6.429
  134   2HE   LYS  16          2HE       LYS  16  -0.656   2.686   7.721
  135   1HZ   LYS  16          3HZ       LYS  16  -2.356   3.409   9.240
  136   2HZ   LYS  16          1HZ       LYS  16  -3.159   4.182   8.024
  137   3HZ   LYS  16          2HZ       LYS  16  -3.001   2.544   7.993
  138    H    GLU  17           H        GLU  17  -1.910   8.398   3.872
  139    HA   GLU  17           HA       GLU  17   0.168  10.240   4.818
  140   1HB   GLU  17          1HB       GLU  17   0.181   8.868   2.639
  141   2HB   GLU  17          2HB       GLU  17  -0.999   9.998   2.007
  142   1HG   GLU  17          1HG       GLU  17   1.103  10.737   1.211
  143   2HG   GLU  17          2HG       GLU  17   0.669  11.871   2.494
  144    H    GLY  18           H        GLY  18  -2.989  10.309   3.229
  145   1HA   GLY  18          1HA       GLY  18  -4.378  12.098   4.632
  146   2HA   GLY  18          2HA       GLY  18  -3.362  13.225   3.713
  147    H    ASP  19           H        ASP  19  -3.179  12.473   1.259
  148    HA   ASP  19           HA       ASP  19  -5.791  12.881   0.173
  149   1HB   ASP  19          1HB       ASP  19  -3.844  13.761  -0.955
  150   2HB   ASP  19          2HB       ASP  19  -3.165  12.135  -1.152
  151    HA   PRO  20           HA       PRO  20  -6.667   8.396   0.436
  152   1HB   PRO  20          1HB       PRO  20  -9.114   8.437  -0.882
  153   2HB   PRO  20          2HB       PRO  20  -8.888   8.748   0.873
  154   1HG   PRO  20          1HG       PRO  20  -9.184  10.700  -1.410
  155   2HG   PRO  20          2HG       PRO  20  -9.927  10.791   0.211
  156   1HD   PRO  20          1HD       PRO  20  -7.747  12.232  -0.438
  157   2HD   PRO  20          2HD       PRO  20  -7.899  11.511   1.189
  158    H    ASN  21           H        ASN  21  -6.545  10.387  -2.445
  159    HA   ASN  21           HA       ASN  21  -6.975   8.226  -4.331
  160   1HB   ASN  21          1HB       ASN  21  -6.115  11.107  -4.789
  161   2HB   ASN  21          2HB       ASN  21  -6.752   9.979  -5.976
  162   1HD2  ASN  21          1HD2      ASN  21  -9.332  12.047  -3.608
  163   2HD2  ASN  21          2HD2      ASN  21  -7.588  12.178  -3.381
  164    H    GLN  22           H        GLN  22  -4.135   9.173  -2.630
  165    HA   GLN  22           HA       GLN  22  -2.379   8.191  -4.828
  166   1HB   GLN  22          1HB       GLN  22  -2.861  10.607  -5.072
  167   2HB   GLN  22          2HB       GLN  22  -2.160  10.900  -3.478
  168   1HG   GLN  22          1HG       GLN  22   0.010  10.251  -4.265
  169   2HG   GLN  22          2HG       GLN  22  -0.645   9.556  -5.764
  170   1HE2  GLN  22          1HE2      GLN  22   0.310  13.480  -5.749
  171   2HE2  GLN  22          2HE2      GLN  22   0.742  12.434  -4.410
  172    H    LEU  23           H        LEU  23  -0.798   6.828  -4.069
  173    HA   LEU  23           HA       LEU  23  -0.266   6.674  -1.155
  174   1HB   LEU  23          1HB       LEU  23   0.355   4.839  -3.481
  175   2HB   LEU  23          2HB       LEU  23   0.767   4.553  -1.807
  176    HG   LEU  23           HG       LEU  23  -2.123   4.883  -2.639
  177   1HD1  LEU  23          3HD1      LEU  23  -1.057   3.071  -3.988
  178   2HD1  LEU  23          1HD1      LEU  23  -0.424   2.360  -2.492
  179   3HD1  LEU  23          2HD1      LEU  23  -2.177   2.400  -2.774
  180   1HD2  LEU  23          1HD2      LEU  23  -1.455   4.941  -0.183
  181   2HD2  LEU  23          2HD2      LEU  23  -2.556   3.616  -0.618
  182   3HD2  LEU  23          3HD2      LEU  23  -0.832   3.288  -0.382
  183    H    SER  24           H        SER  24   1.818   7.205  -0.374
  184    HA   SER  24           HA       SER  24   3.990   7.718  -2.323
  185   1HB   SER  24          1HB       SER  24   5.158   8.765  -0.638
  186   2HB   SER  24          2HB       SER  24   3.499   9.191  -0.224
  187    HG   SER  24           HG       SER  24   3.866   8.264   1.610
  188    H    LYS  25           H        LYS  25   6.181   6.749  -1.339
  189    HA   LYS  25           HA       LYS  25   6.125   4.003  -1.855
  190   1HB   LYS  25          1HB       LYS  25   8.172   5.691  -0.327
  191   2HB   LYS  25          2HB       LYS  25   8.445   4.014  -0.826
  192   1HG   LYS  25          1HG       LYS  25   8.131   4.628  -3.187
  193   2HG   LYS  25          2HG       LYS  25   7.880   6.325  -2.728
  194   1HD   LYS  25          1HD       LYS  25  10.161   6.399  -1.763
  195   2HD   LYS  25          2HD       LYS  25  10.417   4.703  -2.226
  196   1HE   LYS  25          1HE       LYS  25  10.082   5.290  -4.613
  197   2HE   LYS  25          2HE       LYS  25   9.781   6.978  -4.168
  198   1HZ   LYS  25          3HZ       LYS  25  12.003   7.085  -3.305
  199   2HZ   LYS  25          1HZ       LYS  25  12.296   5.518  -3.731
  200   3HZ   LYS  25          2HZ       LYS  25  12.009   6.650  -4.893
  201    H    GLU  26           H        GLU  26   6.000   5.711   1.301
  202    HA   GLU  26           HA       GLU  26   6.369   3.286   2.804
  203   1HB   GLU  26          1HB       GLU  26   6.854   5.544   3.731
  204   2HB   GLU  26          2HB       GLU  26   5.132   5.962   3.651
  205   1HG   GLU  26          1HG       GLU  26   4.599   4.180   5.277
  206   2HG   GLU  26          2HG       GLU  26   6.292   3.663   5.287
  207    H    GLU  27           H        GLU  27   3.481   5.093   1.849
  208    HA   GLU  27           HA       GLU  27   1.623   3.326   3.130
  209   1HB   GLU  27          1HB       GLU  27   1.210   5.003   0.617
  210   2HB   GLU  27          2HB       GLU  27  -0.030   4.132   1.521
  211   1HG   GLU  27          1HG       GLU  27  -0.233   6.289   2.345
  212   2HG   GLU  27          2HG       GLU  27   0.674   5.449   3.610
  213    H    LEU  28           H        LEU  28   3.070   3.261  -0.210
  214    HA   LEU  28           HA       LEU  28   1.840   0.781  -0.918
  215   1HB   LEU  28          1HB       LEU  28   4.507   1.991  -1.695
  216   2HB   LEU  28          2HB       LEU  28   3.912   0.484  -2.398
  217    HG   LEU  28           HG       LEU  28   2.162   2.930  -2.391
  218   1HD1  LEU  28          3HD1      LEU  28   4.314   3.613  -3.274
  219   2HD1  LEU  28          1HD1      LEU  28   4.305   2.231  -4.412
  220   3HD1  LEU  28          2HD1      LEU  28   3.107   3.549  -4.558
  221   1HD2  LEU  28          1HD2      LEU  28   1.184   0.706  -3.107
  222   2HD2  LEU  28          2HD2      LEU  28   1.236   1.870  -4.442
  223   3HD2  LEU  28          3HD2      LEU  28   2.447   0.580  -4.344
  224    H    LYS  29           H        LYS  29   4.823   1.367   0.966
  225    HA   LYS  29           HA       LYS  29   5.569  -1.378   0.933
  226   1HB   LYS  29          1HB       LYS  29   6.879   0.727   1.633
  227   2HB   LYS  29          2HB       LYS  29   6.004   0.675   3.142
  228   1HG   LYS  29          1HG       LYS  29   6.984  -1.649   3.544
  229   2HG   LYS  29          2HG       LYS  29   7.835  -1.492   2.007
  230   1HD   LYS  29          1HD       LYS  29   9.429  -0.898   3.683
  231   2HD   LYS  29          2HD       LYS  29   8.944   0.594   2.866
  232   1HE   LYS  29          1HE       LYS  29   9.103   0.967   5.273
  233   2HE   LYS  29          2HE       LYS  29   7.417   1.133   4.784
  234   1HZ   LYS  29          1HZ       LYS  29   8.635  -1.235   6.027
  235   2HZ   LYS  29          2HZ       LYS  29   7.643  -0.148   6.767
  236   3HZ   LYS  29          3HZ       LYS  29   7.056  -1.124   5.578
  237    H    LEU  30           H        LEU  30   3.740   0.512   3.321
  238    HA   LEU  30           HA       LEU  30   3.121  -1.699   5.016
  239   1HB   LEU  30          1HB       LEU  30   1.562   0.873   4.527
  240   2HB   LEU  30          2HB       LEU  30   1.265  -0.229   5.878
  241    HG   LEU  30           HG       LEU  30   3.927   1.201   5.421
  242   1HD1  LEU  30          3HD1      LEU  30   2.103   2.811   5.845
  243   2HD1  LEU  30          1HD1      LEU  30   1.641   1.901   7.302
  244   3HD1  LEU  30          2HD1      LEU  30   3.219   2.713   7.218
  245   1HD2  LEU  30          3HD2      LEU  30   2.815  -0.347   7.802
  246   2HD2  LEU  30          1HD2      LEU  30   4.187  -0.827   6.779
  247   3HD2  LEU  30          2HD2      LEU  30   4.314   0.604   7.804
  248    H    LEU  31           H        LEU  31   1.289  -0.350   2.313
  249    HA   LEU  31           HA       LEU  31  -0.922  -2.096   2.343
  250   1HB   LEU  31          1HB       LEU  31  -0.642  -0.067   0.972
  251   2HB   LEU  31          2HB       LEU  31   0.514  -0.891  -0.064
  252    HG   LEU  31           HG       LEU  31  -2.326  -1.879   0.327
  253   1HD1  LEU  31          1HD1      LEU  31  -1.241   0.095  -1.731
  254   2HD1  LEU  31          2HD1      LEU  31  -2.859  -0.627  -1.789
  255   3HD1  LEU  31          3HD1      LEU  31  -2.426   0.454  -0.456
  256   1HD2  LEU  31          3HD2      LEU  31  -0.260  -2.323  -1.880
  257   2HD2  LEU  31          1HD2      LEU  31  -0.935  -3.557  -0.792
  258   3HD2  LEU  31          2HD2      LEU  31  -1.966  -2.798  -1.993
  259    H    LEU  32           H        LEU  32   2.161  -2.403   0.617
  260    HA   LEU  32           HA       LEU  32   1.706  -4.962  -0.514
  261   1HB   LEU  32          1HB       LEU  32   4.277  -3.564   0.299
  262   2HB   LEU  32          2HB       LEU  32   4.268  -5.137  -0.495
  263    HG   LEU  32           HG       LEU  32   2.840  -2.778  -1.763
  264   1HD1  LEU  32          3HD1      LEU  32   5.200  -2.094  -1.352
  265   2HD1  LEU  32          1HD1      LEU  32   5.761  -3.573  -2.157
  266   3HD1  LEU  32          2HD1      LEU  32   4.872  -2.338  -3.072
  267   1HD2  LEU  32          3HD2      LEU  32   4.090  -5.319  -2.887
  268   2HD2  LEU  32          1HD2      LEU  32   2.352  -5.010  -2.684
  269   3HD2  LEU  32          2HD2      LEU  32   3.290  -4.043  -3.830
  270    H    GLN  33           H        GLN  33   3.414  -4.154   2.554
  271    HA   GLN  33           HA       GLN  33   3.912  -6.777   3.410
  272   1HB   GLN  33          1HB       GLN  33   3.246  -4.259   4.994
  273   2HB   GLN  33          2HB       GLN  33   3.739  -5.774   5.755
  274   1HG   GLN  33          1HG       GLN  33   5.904  -5.718   4.664
  275   2HG   GLN  33          2HG       GLN  33   5.449  -4.308   3.706
  276   1HE2  GLN  33          1HE2      GLN  33   6.253  -3.818   7.731
  277   2HE2  GLN  33          2HE2      GLN  33   5.783  -5.398   7.131
  278    H    THR  34           H        THR  34   1.021  -4.805   4.037
  279    HA   THR  34           HA       THR  34  -0.143  -6.843   5.702
  280    HB   THR  34           HB       THR  34  -1.712  -4.648   4.310
  281    HG1  THR  34           HG1      THR  34   0.129  -3.754   5.366
  282   1HG2  THR  34          1HG2      THR  34  -2.003  -6.092   6.992
  283   2HG2  THR  34          2HG2      THR  34  -3.077  -4.813   6.414
  284   3HG2  THR  34          3HG2      THR  34  -3.019  -6.357   5.561
  285    H    GLU  35           H        GLU  35  -0.874  -5.806   2.324
  286    HA   GLU  35           HA       GLU  35  -2.921  -7.920   2.133
  287   1HB   GLU  35          1HB       GLU  35  -2.252  -5.377   0.610
  288   2HB   GLU  35          2HB       GLU  35  -3.340  -6.597  -0.067
  289   1HG   GLU  35          1HG       GLU  35  -3.687  -5.312   2.689
  290   2HG   GLU  35          2HG       GLU  35  -4.424  -4.720   1.200
  291    H    PHE  36           H        PHE  36   0.258  -7.167   0.775
  292    HA   PHE  36           HA       PHE  36  -0.004  -9.569  -0.984
  293   1HB   PHE  36          1HB       PHE  36   1.176  -6.917  -1.836
  294   2HB   PHE  36          2HB       PHE  36   0.937  -8.342  -2.833
  295    HD1  PHE  36           HD1      PHE  36  -1.913  -9.060  -2.336
  296    HD2  PHE  36           HD2      PHE  36  -0.049  -5.199  -2.862
  297    HE1  PHE  36           HE1      PHE  36  -3.995  -8.179  -3.351
  298    HE2  PHE  36           HE2      PHE  36  -2.108  -4.369  -3.958
  299    HZ   PHE  36           HZ       PHE  36  -4.046  -5.869  -4.253
  300    HA   PRO  37           HA       PRO  37   4.006  -9.178   1.443
  301   1HB   PRO  37          1HB       PRO  37   3.932 -11.606   2.731
  302   2HB   PRO  37          2HB       PRO  37   3.181 -10.118   3.375
  303   1HG   PRO  37          1HG       PRO  37   1.827 -12.344   1.836
  304   2HG   PRO  37          2HG       PRO  37   1.283 -11.565   3.352
  305   1HD   PRO  37          1HD       PRO  37   0.303 -10.838   0.924
  306   2HD   PRO  37          2HD       PRO  37   0.580  -9.606   2.178
  307    H    SER  38           H        SER  38   2.403 -11.603  -0.582
  308    HA   SER  38           HA       SER  38   4.491 -13.321  -1.218
  309   1HB   SER  38          1HB       SER  38   2.373 -12.488  -3.212
  310   2HB   SER  38          2HB       SER  38   2.961 -14.110  -2.799
  311    HG   SER  38           HG       SER  38   0.885 -13.726  -1.896
  312    H    LEU  39           H        LEU  39   3.710 -10.060  -2.322
  313    HA   LEU  39           HA       LEU  39   5.415 -10.129  -4.694
  314   1HB   LEU  39          1HB       LEU  39   3.938  -8.026  -3.110
  315   2HB   LEU  39          2HB       LEU  39   4.984  -7.585  -4.477
  316    HG   LEU  39           HG       LEU  39   2.501  -9.353  -4.587
  317   1HD1  LEU  39          3HD1      LEU  39   2.108  -6.891  -4.251
  318   2HD1  LEU  39          1HD1      LEU  39   3.053  -6.568  -5.714
  319   3HD1  LEU  39          2HD1      LEU  39   1.523  -7.458  -5.822
  320   1HD2  LEU  39          3HD2      LEU  39   4.395  -8.461  -6.807
  321   2HD2  LEU  39          1HD2      LEU  39   3.990 -10.132  -6.349
  322   3HD2  LEU  39          2HD2      LEU  39   2.766  -9.106  -7.091
  323    H    LEU  40           H        LEU  40   5.873  -9.557  -1.250
  324    HA   LEU  40           HA       LEU  40   8.377  -8.043  -1.692
  325   1HB   LEU  40          1HB       LEU  40   7.179  -9.106   0.840
  326   2HB   LEU  40          2HB       LEU  40   8.582  -8.035   0.634
  327    HG   LEU  40           HG       LEU  40   5.694  -7.326  -0.126
  328   1HD1  LEU  40          3HD1      LEU  40   6.023  -7.491   2.316
  329   2HD1  LEU  40          1HD1      LEU  40   7.399  -6.370   2.213
  330   3HD1  LEU  40          2HD1      LEU  40   5.763  -5.812   1.802
  331   1HD2  LEU  40          3HD2      LEU  40   8.277  -5.692  -0.156
  332   2HD2  LEU  40          1HD2      LEU  40   7.235  -6.081  -1.546
  333   3HD2  LEU  40          2HD2      LEU  40   6.660  -4.983  -0.287
  334    H    LYS  41           H        LYS  41   8.955  -9.735  -2.984
  335    HA   LYS  41           HA       LYS  41  10.749 -11.726  -1.692
  336   1HB   LYS  41          1HB       LYS  41   9.342 -11.691  -4.374
  337   2HB   LYS  41          2HB       LYS  41  10.595 -12.842  -3.959
  338   1HG   LYS  41          1HG       LYS  41   8.137 -12.579  -2.180
  339   2HG   LYS  41          2HG       LYS  41   8.091 -13.427  -3.697
  340   1HD   LYS  41          1HD       LYS  41   8.410 -15.048  -2.017
  341   2HD   LYS  41          2HD       LYS  41   9.870 -14.977  -2.998
  342   1HE   LYS  41          1HE       LYS  41  10.292 -15.258  -0.563
  343   2HE   LYS  41          2HE       LYS  41  11.072 -13.820  -1.203
  344   1HZ   LYS  41          1HZ       LYS  41   8.498 -13.876   0.235
  345   2HZ   LYS  41          2HZ       LYS  41   9.946 -13.455   0.896
  346   3HZ   LYS  41          3HZ       LYS  41   9.277 -12.514  -0.270
  347    H    GLY  42           H        GLY  42  12.247 -11.860  -4.286
  348   1HA   GLY  42          1HA       GLY  42  13.836  -9.408  -4.140
  349   2HA   GLY  42          2HA       GLY  42  14.043 -10.771  -5.248
  350    H    GLY  43           H        GLY  43  11.352  -8.456  -4.604
  351   1HA   GLY  43          1HA       GLY  43  10.607  -8.353  -7.437
  352   2HA   GLY  43          2HA       GLY  43   9.849  -7.504  -6.079
  353    H    SER  44           H        SER  44  13.067  -7.558  -7.722
  354    HA   SER  44           HA       SER  44  14.624  -6.068  -8.020
  355   1HB   SER  44          1HB       SER  44  14.092  -4.227  -9.304
  356   2HB   SER  44          2HB       SER  44  12.979  -5.489  -9.786
  357    HG   SER  44           HG       SER  44  11.450  -4.442  -8.241
  358    H    THR  45           H        THR  45  12.709  -3.311  -7.071
  359    HA   THR  45           HA       THR  45  13.439  -3.461  -4.258
  360    HB   THR  45           HB       THR  45  14.362  -1.155  -4.190
  361    HG1  THR  45           HG1      THR  45  14.513  -1.403  -7.002
  362   1HG2  THR  45          3HG2      THR  45  15.960  -3.067  -4.282
  363   2HG2  THR  45          1HG2      THR  45  16.050  -2.890  -6.046
  364   3HG2  THR  45          2HG2      THR  45  16.605  -1.576  -4.995
  365    H    LEU  46           H        LEU  46  12.092  -1.913  -3.052
  366    HA   LEU  46           HA       LEU  46   9.516  -1.418  -4.040
  367   1HB   LEU  46          1HB       LEU  46  10.082  -1.333  -1.650
  368   2HB   LEU  46          2HB       LEU  46  11.193   0.015  -1.934
  369    HG   LEU  46           HG       LEU  46   9.320   1.492  -2.526
  370   1HD1  LEU  46          1HD1      LEU  46   7.559  -0.914  -1.842
  371   2HD1  LEU  46          2HD1      LEU  46   6.974   0.746  -2.066
  372   3HD1  LEU  46          3HD1      LEU  46   7.680  -0.126  -3.431
  373   1HD2  LEU  46          1HD2      LEU  46  10.089   1.353  -0.195
  374   2HD2  LEU  46          2HD2      LEU  46   8.340   1.641  -0.261
  375   3HD2  LEU  46          3HD2      LEU  46   8.955   0.021   0.116
  376    H    ASP  47           H        ASP  47  12.388   0.663  -4.063
  377    HA   ASP  47           HA       ASP  47  11.296   2.938  -5.260
  378   1HB   ASP  47          1HB       ASP  47  14.089   1.749  -5.561
  379   2HB   ASP  47          2HB       ASP  47  13.628   3.416  -5.926
  380    H    GLU  48           H        GLU  48  12.933   0.215  -6.892
  381    HA   GLU  48           HA       GLU  48  12.376   1.166  -9.531
  382   1HB   GLU  48          1HB       GLU  48  12.946  -1.612  -8.467
  383   2HB   GLU  48          2HB       GLU  48  12.725  -1.290 -10.186
  384   1HG   GLU  48          1HG       GLU  48  14.824   0.158  -8.498
  385   2HG   GLU  48          2HG       GLU  48  15.141  -1.306  -9.444
  386    H    LEU  49           H        LEU  49  10.495  -0.989  -7.416
  387    HA   LEU  49           HA       LEU  49   8.436  -1.524  -9.294
  388   1HB   LEU  49          1HB       LEU  49   8.716  -2.780  -7.205
  389   2HB   LEU  49          2HB       LEU  49   8.327  -1.341  -6.260
  390    HG   LEU  49           HG       LEU  49   6.025  -1.327  -7.170
  391   1HD1  LEU  49          1HD1      LEU  49   6.920  -3.858  -8.627
  392   2HD1  LEU  49          2HD1      LEU  49   5.229  -3.361  -8.422
  393   3HD1  LEU  49          3HD1      LEU  49   6.324  -2.354  -9.368
  394   1HD2  LEU  49          1HD2      LEU  49   6.561  -2.541  -5.085
  395   2HD2  LEU  49          2HD2      LEU  49   5.242  -3.322  -5.975
  396   3HD2  LEU  49          3HD2      LEU  49   6.876  -4.017  -6.022
  397    H    PHE  50           H        PHE  50   8.813   1.072  -6.908
  398    HA   PHE  50           HA       PHE  50   6.367   2.418  -7.300
  399   1HB   PHE  50          1HB       PHE  50   8.020   2.807  -5.475
  400   2HB   PHE  50          2HB       PHE  50   9.109   3.564  -6.618
  401    HD1  PHE  50           HD1      PHE  50   5.929   3.859  -4.831
  402    HD2  PHE  50           HD2      PHE  50   8.715   5.887  -7.401
  403    HE1  PHE  50           HE1      PHE  50   5.173   6.021  -3.910
  404    HE2  PHE  50           HE2      PHE  50   7.969   8.069  -6.480
  405    HZ   PHE  50           HZ       PHE  50   6.313   8.130  -4.628
  406    H    GLU  51           H        GLU  51   9.554   2.904  -8.912
  407    HA   GLU  51           HA       GLU  51   8.609   4.852 -10.757
  408   1HB   GLU  51          1HB       GLU  51  10.864   2.826 -10.997
  409   2HB   GLU  51          2HB       GLU  51  10.580   4.133 -12.154
  410   1HG   GLU  51          1HG       GLU  51  11.220   4.510  -9.193
  411   2HG   GLU  51          2HG       GLU  51  12.312   4.800 -10.550
  412    H    GLU  52           H        GLU  52   8.775   1.323 -11.034
  413    HA   GLU  52           HA       GLU  52   7.811   1.067 -13.654
  414   1HB   GLU  52          1HB       GLU  52   8.664  -0.806 -12.197
  415   2HB   GLU  52          2HB       GLU  52   7.101  -0.800 -11.360
  416   1HG   GLU  52          1HG       GLU  52   5.957  -1.274 -13.535
  417   2HG   GLU  52          2HG       GLU  52   7.543  -1.352 -14.319
  418    H    LEU  53           H        LEU  53   5.929   1.423 -10.647
  419    HA   LEU  53           HA       LEU  53   3.360   1.377 -11.969
  420   1HB   LEU  53          1HB       LEU  53   4.209   2.447  -9.254
  421   2HB   LEU  53          2HB       LEU  53   2.549   2.226  -9.805
  422    HG   LEU  53           HG       LEU  53   4.590  -0.015  -9.444
  423   1HD1  LEU  53          3HD1      LEU  53   3.853   1.003  -7.320
  424   2HD1  LEU  53          1HD1      LEU  53   2.158   0.728  -7.787
  425   3HD1  LEU  53          2HD1      LEU  53   3.245  -0.648  -7.507
  426   1HD2  LEU  53          3HD2      LEU  53   1.645  -0.162 -10.157
  427   2HD2  LEU  53          1HD2      LEU  53   3.024  -0.638 -11.188
  428   3HD2  LEU  53          2HD2      LEU  53   2.690  -1.537  -9.719
  429    H    ASP  54           H        ASP  54   5.199   4.070 -10.544
  430    HA   ASP  54           HA       ASP  54   3.828   5.994 -12.385
  431   1HB   ASP  54          1HB       ASP  54   3.295   6.415 -10.069
  432   2HB   ASP  54          2HB       ASP  54   4.990   6.333  -9.593
  433    H    LYS  55           H        LYS  55   5.304   5.981 -14.112
  434    HA   LYS  55           HA       LYS  55   8.166   6.196 -13.673
  435   1HB   LYS  55          1HB       LYS  55   6.495   6.730 -16.087
  436   2HB   LYS  55          2HB       LYS  55   8.265   6.807 -15.990
  437   1HG   LYS  55          1HG       LYS  55   6.677   4.301 -15.234
  438   2HG   LYS  55          2HG       LYS  55   7.210   4.605 -16.883
  439   1HD   LYS  55          1HD       LYS  55   9.107   4.381 -14.504
  440   2HD   LYS  55          2HD       LYS  55   8.674   3.064 -15.588
  441   1HE   LYS  55          1HE       LYS  55   9.593   4.364 -17.521
  442   2HE   LYS  55          2HE       LYS  55  10.112   5.635 -16.397
  443   1HZ   LYS  55          1HZ       LYS  55  11.002   2.846 -16.333
  444   2HZ   LYS  55          2HZ       LYS  55  11.870   4.133 -16.885
  445   3HZ   LYS  55          3HZ       LYS  55  11.471   4.032 -15.288
  446    H    ASN  56           H        ASN  56   7.964   7.760 -12.175
  447    HA   ASN  56           HA       ASN  56   8.019   9.784 -11.163
  448   1HB   ASN  56          1HB       ASN  56   9.895  10.951 -11.596
  449   2HB   ASN  56          2HB       ASN  56  10.266   9.401 -12.344
  450   1HD2  ASN  56          1HD2      ASN  56   9.689  11.242 -15.665
  451   2HD2  ASN  56          2HD2      ASN  56   8.692  10.061 -14.831
  452    H    GLY  57           H        GLY  57   5.610   9.658 -12.511
  453   1HA   GLY  57          1HA       GLY  57   5.153  12.146 -13.975
  454   2HA   GLY  57          2HA       GLY  57   3.946  10.962 -13.456
  455    H    ASP  58           H        ASP  58   3.248  10.971 -11.175
  456    HA   ASP  58           HA       ASP  58   3.176  13.670 -10.022
  457   1HB   ASP  58          1HB       ASP  58   1.461  12.701  -8.598
  458   2HB   ASP  58          2HB       ASP  58   1.087  12.471 -10.307
  459    H    GLY  59           H        GLY  59   5.131  10.873  -9.697
  460   1HA   GLY  59          1HA       GLY  59   6.859  10.444  -8.266
  461   2HA   GLY  59          2HA       GLY  59   6.572  11.989  -7.447
  462    H    GLU  60           H        GLU  60   4.069   9.550  -7.927
  463    HA   GLU  60           HA       GLU  60   4.118   8.225  -5.396
  464   1HB   GLU  60          1HB       GLU  60   2.066  10.445  -5.839
  465   2HB   GLU  60          2HB       GLU  60   1.875   9.100  -4.706
  466   1HG   GLU  60          1HG       GLU  60   4.099   9.883  -3.647
  467   2HG   GLU  60          2HG       GLU  60   3.842  11.389  -4.549
  468    H    VAL  61           H        VAL  61   1.930   6.956  -5.336
  469    HA   VAL  61           HA       VAL  61   1.321   6.113  -8.164
  470    HB   VAL  61           HB       VAL  61   1.399   4.532  -5.597
  471   1HG1  VAL  61          3HG1      VAL  61  -0.381   3.755  -7.181
  472   2HG1  VAL  61          1HG1      VAL  61   0.866   3.525  -8.423
  473   3HG1  VAL  61          2HG1      VAL  61   0.906   2.572  -6.929
  474   1HG2  VAL  61          3HG2      VAL  61   3.147   4.551  -8.122
  475   2HG2  VAL  61          1HG2      VAL  61   3.663   5.018  -6.493
  476   3HG2  VAL  61          2HG2      VAL  61   3.269   3.330  -6.849
  477    H    SER  62           H        SER  62  -0.529   7.048  -8.726
  478    HA   SER  62           HA       SER  62  -2.754   7.480  -6.922
  479   1HB   SER  62          1HB       SER  62  -2.778   7.613  -9.956
  480   2HB   SER  62          2HB       SER  62  -3.825   8.461  -8.800
  481    HG   SER  62           HG       SER  62  -1.051   8.881  -9.287
  482    H    PHE  63           H        PHE  63  -4.940   6.511  -7.333
  483    HA   PHE  63           HA       PHE  63  -4.856   3.732  -7.315
  484   1HB   PHE  63          1HB       PHE  63  -6.712   5.018  -6.387
  485   2HB   PHE  63          2HB       PHE  63  -7.246   5.466  -8.011
  486    HD1  PHE  63           HD1      PHE  63  -6.422   2.402  -5.975
  487    HD2  PHE  63           HD2      PHE  63  -8.911   4.085  -9.062
  488    HE1  PHE  63           HE1      PHE  63  -7.784   0.350  -5.979
  489    HE2  PHE  63           HE2      PHE  63 -10.248   2.000  -9.100
  490    HZ   PHE  63           HZ       PHE  63  -9.741   0.158  -7.495
  491    H    GLU  64           H        GLU  64  -5.302   5.783 -10.176
  492    HA   GLU  64           HA       GLU  64  -6.081   3.631 -11.882
  493   1HB   GLU  64          1HB       GLU  64  -6.420   6.029 -12.444
  494   2HB   GLU  64          2HB       GLU  64  -4.671   6.251 -12.607
  495   1HG   GLU  64          1HG       GLU  64  -5.722   5.986 -14.799
  496   2HG   GLU  64          2HG       GLU  64  -4.652   4.617 -14.493
  497    H    GLU  65           H        GLU  65  -2.840   5.242 -11.570
  498    HA   GLU  65           HA       GLU  65  -1.560   3.259 -13.156
  499   1HB   GLU  65          1HB       GLU  65   0.541   4.244 -12.463
  500   2HB   GLU  65          2HB       GLU  65  -0.655   5.448 -12.941
  501   1HG   GLU  65          1HG       GLU  65  -1.162   5.614 -10.369
  502   2HG   GLU  65          2HG       GLU  65   0.412   4.831 -10.184
  503    H    PHE  66           H        PHE  66  -2.239   3.321  -9.652
  504    HA   PHE  66           HA       PHE  66  -0.786   1.063  -8.829
  505   1HB   PHE  66          1HB       PHE  66  -1.969   2.259  -7.211
  506   2HB   PHE  66          2HB       PHE  66  -3.440   2.240  -8.154
  507    HD1  PHE  66           HD1      PHE  66  -1.238  -0.075  -6.158
  508    HD2  PHE  66           HD2      PHE  66  -5.126   0.744  -7.788
  509    HE1  PHE  66           HE1      PHE  66  -2.181  -1.953  -4.848
  510    HE2  PHE  66           HE2      PHE  66  -6.062  -1.222  -6.617
  511    HZ   PHE  66           HZ       PHE  66  -4.626  -2.463  -4.965
  512    H    GLN  67           H        GLN  67  -3.666   1.138 -10.995
  513    HA   GLN  67           HA       GLN  67  -4.234  -1.638 -10.811
  514   1HB   GLN  67          1HB       GLN  67  -4.474   0.060 -13.323
  515   2HB   GLN  67          2HB       GLN  67  -5.244  -1.493 -13.000
  516   1HG   GLN  67          1HG       GLN  67  -5.884   1.173 -11.718
  517   2HG   GLN  67          2HG       GLN  67  -6.920   0.139 -12.685
  518   1HE2  GLN  67          1HE2      GLN  67  -7.051  -0.161  -8.716
  519   2HE2  GLN  67          2HE2      GLN  67  -6.401   1.201  -9.612
  520    H    VAL  68           H        VAL  68  -1.411  -0.102 -12.236
  521    HA   VAL  68           HA       VAL  68  -0.607  -2.300 -13.902
  522    HB   VAL  68           HB       VAL  68   1.043  -0.203 -12.465
  523   1HG1  VAL  68          1HG1      VAL  68   1.810  -2.127 -14.699
  524   2HG1  VAL  68          2HG1      VAL  68   2.789  -0.750 -14.151
  525   3HG1  VAL  68          3HG1      VAL  68   2.486  -2.100 -13.055
  526   1HG2  VAL  68          1HG2      VAL  68  -0.579   0.722 -14.145
  527   2HG2  VAL  68          2HG2      VAL  68   1.102   0.908 -14.654
  528   3HG2  VAL  68          3HG2      VAL  68   0.099  -0.374 -15.362
  529    H    LEU  69           H        LEU  69  -0.508  -1.747 -10.407
  530    HA   LEU  69           HA       LEU  69   1.370  -3.870  -9.818
  531   1HB   LEU  69          1HB       LEU  69   0.826  -1.815  -8.395
  532   2HB   LEU  69          2HB       LEU  69  -0.729  -2.533  -8.024
  533    HG   LEU  69           HG       LEU  69   0.919  -2.697  -6.244
  534   1HD1  LEU  69          3HD1      LEU  69  -0.968  -4.344  -6.449
  535   2HD1  LEU  69          1HD1      LEU  69   0.188  -5.481  -7.182
  536   3HD1  LEU  69          2HD1      LEU  69   0.440  -4.911  -5.531
  537   1HD2  LEU  69          1HD2      LEU  69   2.939  -3.047  -7.656
  538   2HD2  LEU  69          2HD2      LEU  69   2.795  -4.187  -6.308
  539   3HD2  LEU  69          3HD2      LEU  69   2.413  -4.721  -7.955
  540    H    VAL  70           H        VAL  70  -2.168  -3.391  -9.650
  541    HA   VAL  70           HA       VAL  70  -2.898  -6.011  -8.870
  542    HB   VAL  70           HB       VAL  70  -4.481  -4.129 -10.690
  543   1HG1  VAL  70          1HG1      VAL  70  -5.364  -6.317  -8.758
  544   2HG1  VAL  70          2HG1      VAL  70  -6.443  -5.231  -9.663
  545   3HG1  VAL  70          3HG1      VAL  70  -5.439  -6.398 -10.531
  546   1HG2  VAL  70          3HG2      VAL  70  -4.211  -4.198  -7.657
  547   2HG2  VAL  70          1HG2      VAL  70  -3.847  -2.835  -8.724
  548   3HG2  VAL  70          2HG2      VAL  70  -5.518  -3.348  -8.519
  549    H    LYS  71           H        LYS  71  -2.419  -4.620 -12.142
  550    HA   LYS  71           HA       LYS  71  -2.934  -6.956 -13.637
  551   1HB   LYS  71          1HB       LYS  71  -2.771  -4.924 -14.787
  552   2HB   LYS  71          2HB       LYS  71  -1.168  -4.553 -14.119
  553   1HG   LYS  71          1HG       LYS  71  -0.084  -6.187 -15.430
  554   2HG   LYS  71          2HG       LYS  71  -1.606  -6.978 -15.874
  555   1HD   LYS  71          1HD       LYS  71  -0.633  -5.712 -17.735
  556   2HD   LYS  71          2HD       LYS  71  -2.252  -5.146 -17.323
  557   1HE   LYS  71          1HE       LYS  71   0.223  -3.760 -16.203
  558   2HE   LYS  71          2HE       LYS  71  -0.362  -3.412 -17.836
  559   1HZ   LYS  71          3HZ       LYS  71  -2.465  -2.803 -16.941
  560   2HZ   LYS  71          1HZ       LYS  71  -1.957  -3.092 -15.403
  561   3HZ   LYS  71          2HZ       LYS  71  -1.264  -1.887 -16.284
  562    H    LYS  72           H        LYS  72   0.204  -5.794 -12.385
  563    HA   LYS  72           HA       LYS  72   1.736  -8.030 -13.065
  564   1HB   LYS  72          1HB       LYS  72   2.001  -5.892 -11.006
  565   2HB   LYS  72          2HB       LYS  72   2.823  -7.401 -10.620
  566   1HG   LYS  72          1HG       LYS  72   4.398  -6.053 -11.752
  567   2HG   LYS  72          2HG       LYS  72   3.947  -7.366 -12.846
  568   1HD   LYS  72          1HD       LYS  72   2.310  -5.717 -13.950
  569   2HD   LYS  72          2HD       LYS  72   3.008  -4.467 -12.902
  570   1HE   LYS  72          1HE       LYS  72   5.280  -5.011 -13.866
  571   2HE   LYS  72          2HE       LYS  72   4.492  -6.129 -14.990
  572   1HZ   LYS  72          3HZ       LYS  72   3.245  -4.277 -15.849
  573   2HZ   LYS  72          1HZ       LYS  72   3.985  -3.243 -14.799
  574   3HZ   LYS  72          2HZ       LYS  72   4.865  -3.996 -15.970
  575    H    ILE  73           H        ILE  73  -0.271  -7.719 -10.143
  576    HA   ILE  73           HA       ILE  73   0.386 -10.203  -8.974
  577    HB   ILE  73           HB       ILE  73  -2.321  -8.814  -8.945
  578   1HG1  ILE  73          1HG1      ILE  73  -0.007  -8.925  -6.956
  579   2HG1  ILE  73          2HG1      ILE  73  -0.441  -7.546  -7.974
  580   1HG2  ILE  73          1HG2      ILE  73  -1.329 -11.121  -7.224
  581   2HG2  ILE  73          2HG2      ILE  73  -2.851 -10.232  -6.997
  582   3HG2  ILE  73          3HG2      ILE  73  -2.633 -11.210  -8.427
  583   1HD1  ILE  73          3HD1      ILE  73  -2.674  -7.449  -6.824
  584   2HD1  ILE  73          1HD1      ILE  73  -2.060  -8.664  -5.673
  585   3HD1  ILE  73          2HD1      ILE  73  -1.267  -7.095  -5.801
  586    H    SER  74           H        SER  74  -1.743  -9.558 -11.697
  587    HA   SER  74           HA       SER  74  -2.819 -10.907 -13.177
  588   1HB   SER  74          1HB       SER  74  -1.192 -12.399 -14.338
  589   2HB   SER  74          2HB       SER  74  -0.582 -10.770 -14.055
  590    HG   SER  74           HG       SER  74   0.648 -11.516 -12.354
  591    H    GLN  75           H        GLN  75  -0.912 -13.609 -12.139
  592    HA   GLN  75           HA       GLN  75  -1.521 -15.811 -11.767
  593   1HB   GLN  75          1HB       GLN  75  -1.515 -14.630  -9.564
  594   2HB   GLN  75          2HB       GLN  75  -3.273 -14.443  -9.680
  595   1HG   GLN  75          1HG       GLN  75  -3.511 -16.931  -9.770
  596   2HG   GLN  75          2HG       GLN  75  -1.753 -17.097  -9.642
  597   1HE2  GLN  75          1HE2      GLN  75  -1.751 -15.899  -6.167
  598   2HE2  GLN  75          2HE2      GLN  75  -0.872 -15.594  -7.657
   
  No H/Q in entry =         598
  Start of MODEL          12
 Raw file had  599 H/Q atoms
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  -9.047 -11.097  -5.101
    2   2H    LYS   1          2H        LYS   1  -7.713 -10.126  -5.427
    3   3H    LYS   1          3H        LYS   1  -7.889 -10.833  -3.911
    4    HA   LYS   1           HA       LYS   1  -9.847  -9.558  -3.491
    5   1HB   LYS   1          1HB       LYS   1  -7.482  -7.890  -4.452
    6   2HB   LYS   1          2HB       LYS   1  -8.711  -7.363  -3.298
    7   1HG   LYS   1          1HG       LYS   1  -6.649  -9.572  -2.866
    8   2HG   LYS   1          2HG       LYS   1  -6.627  -7.930  -2.213
    9   1HD   LYS   1          1HD       LYS   1  -8.964  -8.556  -1.172
   10   2HD   LYS   1          2HD       LYS   1  -8.500 -10.223  -1.532
   11   1HE   LYS   1          1HE       LYS   1  -7.912  -9.690   0.771
   12   2HE   LYS   1          2HE       LYS   1  -6.415  -9.901  -0.154
   13   1HZ   LYS   1          1HZ       LYS   1  -7.668  -7.303   0.435
   14   2HZ   LYS   1          2HZ       LYS   1  -6.431  -7.958   1.315
   15   3HZ   LYS   1          3HZ       LYS   1  -6.196  -7.550  -0.258
   16    H    SER   2           H        SER   2 -11.410  -7.977  -4.290
   17    HA   SER   2           HA       SER   2 -11.686  -7.955  -7.203
   18   1HB   SER   2          1HB       SER   2 -13.823  -6.843  -6.732
   19   2HB   SER   2          2HB       SER   2 -13.640  -8.286  -5.726
   20    HG   SER   2           HG       SER   2 -14.331  -6.565  -4.449
   21    HA   PRO   3           HA       PRO   3  -9.907  -3.838  -7.861
   22   1HB   PRO   3          1HB       PRO   3 -12.605  -3.230  -9.098
   23   2HB   PRO   3          2HB       PRO   3 -10.980  -2.773  -9.687
   24   1HG   PRO   3          1HG       PRO   3 -12.233  -4.904 -10.787
   25   2HG   PRO   3          2HG       PRO   3 -10.510  -5.046 -10.326
   26   1HD   PRO   3          1HD       PRO   3 -12.932  -6.025  -8.802
   27   2HD   PRO   3          2HD       PRO   3 -11.378  -6.853  -9.125
   28    H    GLU   4           H        GLU   4 -13.284  -4.104  -6.701
   29    HA   GLU   4           HA       GLU   4 -13.467  -1.567  -5.430
   30   1HB   GLU   4          1HB       GLU   4 -14.877  -4.193  -4.791
   31   2HB   GLU   4          2HB       GLU   4 -15.359  -2.595  -4.208
   32   1HG   GLU   4          1HG       GLU   4 -15.803  -1.837  -6.499
   33   2HG   GLU   4          2HG       GLU   4 -15.254  -3.382  -7.165
   34    H    GLU   5           H        GLU   5 -12.485  -4.774  -4.203
   35    HA   GLU   5           HA       GLU   5 -12.158  -3.866  -1.488
   36   1HB   GLU   5          1HB       GLU   5 -12.385  -6.294  -2.501
   37   2HB   GLU   5          2HB       GLU   5 -10.623  -6.214  -2.622
   38   1HG   GLU   5          1HG       GLU   5 -12.339  -5.832  -0.109
   39   2HG   GLU   5          2HG       GLU   5 -11.480  -7.311  -0.546
   40    H    LEU   6           H        LEU   6 -10.028  -4.238  -4.286
   41    HA   LEU   6           HA       LEU   6  -7.619  -3.367  -3.086
   42   1HB   LEU   6          1HB       LEU   6  -8.629  -3.386  -5.954
   43   2HB   LEU   6          2HB       LEU   6  -7.036  -2.820  -5.529
   44    HG   LEU   6           HG       LEU   6  -8.007  -5.508  -4.523
   45   1HD1  LEU   6          1HD1      LEU   6  -6.696  -5.025  -7.217
   46   2HD1  LEU   6          2HD1      LEU   6  -6.806  -6.601  -6.406
   47   3HD1  LEU   6          3HD1      LEU   6  -8.286  -5.753  -6.915
   48   1HD2  LEU   6          1HD2      LEU   6  -5.842  -4.476  -3.630
   49   2HD2  LEU   6          2HD2      LEU   6  -5.611  -6.027  -4.457
   50   3HD2  LEU   6          3HD2      LEU   6  -5.211  -4.513  -5.283
   51    H    LYS   7           H        LYS   7 -10.205  -1.456  -4.687
   52    HA   LYS   7           HA       LYS   7  -8.942   1.050  -4.291
   53   1HB   LYS   7          1HB       LYS   7 -11.021   0.705  -5.624
   54   2HB   LYS   7          2HB       LYS   7 -11.928   0.422  -4.155
   55   1HG   LYS   7          1HG       LYS   7 -12.266   2.691  -5.004
   56   2HG   LYS   7          2HG       LYS   7 -11.604   2.679  -3.369
   57   1HD   LYS   7          1HD       LYS   7  -9.365   3.247  -4.220
   58   2HD   LYS   7          2HD       LYS   7  -9.945   3.102  -5.893
   59   1HE   LYS   7          1HE       LYS   7 -11.441   5.017  -5.578
   60   2HE   LYS   7          2HE       LYS   7 -11.007   5.119  -3.864
   61   1HZ   LYS   7          1HZ       LYS   7  -9.160   5.503  -6.108
   62   2HZ   LYS   7          2HZ       LYS   7  -9.806   6.699  -5.172
   63   3HZ   LYS   7          3HZ       LYS   7  -8.769   5.604  -4.509
   64    H    GLY   8           H        GLY   8 -11.150  -0.756  -2.202
   65   1HA   GLY   8          1HA       GLY   8 -11.292   0.930   0.043
   66   2HA   GLY   8          2HA       GLY   8 -11.301  -0.841   0.135
   67    H    ILE   9           H        ILE   9  -8.909  -1.649  -0.531
   68    HA   ILE   9           HA       ILE   9  -7.104  -1.242   1.631
   69    HB   ILE   9           HB       ILE   9  -6.711  -2.276  -1.175
   70   1HG1  ILE   9          1HG1      ILE   9  -8.369  -3.295   0.700
   71   2HG1  ILE   9          2HG1      ILE   9  -7.518  -4.247  -0.525
   72   1HG2  ILE   9          1HG2      ILE   9  -4.869  -2.492   1.223
   73   2HG2  ILE   9          2HG2      ILE   9  -4.757  -3.471  -0.257
   74   3HG2  ILE   9          3HG2      ILE   9  -4.544  -1.723  -0.341
   75   1HD1  ILE   9          1HD1      ILE   9  -6.494  -3.808   2.309
   76   2HD1  ILE   9          2HD1      ILE   9  -7.505  -5.175   1.809
   77   3HD1  ILE   9          3HD1      ILE   9  -5.910  -4.979   1.080
   78    H    PHE  10           H        PHE  10  -6.962   0.002  -1.759
   79    HA   PHE  10           HA       PHE  10  -4.627   1.497  -1.582
   80   1HB   PHE  10          1HB       PHE  10  -5.959   1.010  -3.652
   81   2HB   PHE  10          2HB       PHE  10  -7.173   2.138  -3.119
   82    HD1  PHE  10           HD1      PHE  10  -6.546   4.594  -2.744
   83    HD2  PHE  10           HD2      PHE  10  -3.987   1.795  -4.806
   84    HE1  PHE  10           HE1      PHE  10  -4.959   6.361  -3.275
   85    HE2  PHE  10           HE2      PHE  10  -2.671   3.710  -5.714
   86    HZ   PHE  10           HZ       PHE  10  -3.171   6.000  -4.959
   87    H    GLU  11           H        GLU  11  -7.983   2.494  -0.806
   88    HA   GLU  11           HA       GLU  11  -7.329   5.183  -0.032
   89   1HB   GLU  11          1HB       GLU  11  -9.709   3.400   0.612
   90   2HB   GLU  11          2HB       GLU  11  -9.582   5.103   1.081
   91   1HG   GLU  11          1HG       GLU  11  -9.368   5.789  -1.266
   92   2HG   GLU  11          2HG       GLU  11  -9.426   4.111  -1.802
   93    H    LYS  12           H        LYS  12  -7.877   2.194   1.883
   94    HA   LYS  12           HA       LYS  12  -7.556   3.124   4.466
   95   1HB   LYS  12          1HB       LYS  12  -8.108   0.864   4.169
   96   2HB   LYS  12          2HB       LYS  12  -6.720   0.532   3.132
   97   1HG   LYS  12          1HG       LYS  12  -5.158   0.593   4.878
   98   2HG   LYS  12          2HG       LYS  12  -6.363   1.236   6.036
   99   1HD   LYS  12          1HD       LYS  12  -7.668  -0.888   5.803
  100   2HD   LYS  12          2HD       LYS  12  -6.480  -1.481   4.633
  101   1HE   LYS  12          1HE       LYS  12  -6.041  -2.484   6.803
  102   2HE   LYS  12          2HE       LYS  12  -4.709  -1.399   6.385
  103   1HZ   LYS  12          1HZ       LYS  12  -6.940  -0.748   8.182
  104   2HZ   LYS  12          2HZ       LYS  12  -5.411  -1.149   8.648
  105   3HZ   LYS  12          3HZ       LYS  12  -5.676   0.246   7.815
  106    H    TYR  13           H        TYR  13  -4.907   2.204   2.223
  107    HA   TYR  13           HA       TYR  13  -2.896   3.089   4.176
  108   1HB   TYR  13          1HB       TYR  13  -2.693   1.991   1.393
  109   2HB   TYR  13          2HB       TYR  13  -1.304   2.512   2.348
  110    HD1  TYR  13           HD1      TYR  13  -0.903   1.526   4.622
  111    HD2  TYR  13           HD2      TYR  13  -3.938  -0.074   2.077
  112    HE1  TYR  13           HE1      TYR  13  -0.923  -0.585   5.952
  113    HE2  TYR  13           HE2      TYR  13  -4.103  -2.066   3.428
  114    HH   TYR  13           HH       TYR  13  -1.657  -2.838   5.966
  115    H    ALA  14           H        ALA  14  -4.053   4.332   1.046
  116    HA   ALA  14           HA       ALA  14  -2.302   6.546   0.806
  117   1HB   ALA  14          1HB       ALA  14  -5.155   6.205  -0.147
  118   2HB   ALA  14          2HB       ALA  14  -4.017   7.430  -0.740
  119   3HB   ALA  14          3HB       ALA  14  -3.695   5.713  -1.030
  120    H    ALA  15           H        ALA  15  -5.272   6.217   2.674
  121    HA   ALA  15           HA       ALA  15  -5.690   8.930   3.299
  122   1HB   ALA  15          3HB       ALA  15  -7.309   7.172   3.838
  123   2HB   ALA  15          1HB       ALA  15  -6.177   6.449   5.006
  124   3HB   ALA  15          2HB       ALA  15  -6.864   8.059   5.309
  125    H    LYS  16           H        LYS  16  -3.167   6.688   4.455
  126    HA   LYS  16           HA       LYS  16  -2.690   8.124   6.946
  127   1HB   LYS  16          1HB       LYS  16  -1.043   5.940   5.626
  128   2HB   LYS  16          2HB       LYS  16  -0.972   6.471   7.312
  129   1HG   LYS  16          1HG       LYS  16  -3.356   5.728   7.599
  130   2HG   LYS  16          2HG       LYS  16  -3.313   5.079   5.947
  131   1HD   LYS  16          1HD       LYS  16  -1.287   3.704   6.616
  132   2HD   LYS  16          2HD       LYS  16  -1.569   4.204   8.290
  133   1HE   LYS  16          1HE       LYS  16  -3.448   2.594   6.492
  134   2HE   LYS  16          2HE       LYS  16  -2.557   1.999   7.899
  135   1HZ   LYS  16          3HZ       LYS  16  -3.857   3.515   9.249
  136   2HZ   LYS  16          1HZ       LYS  16  -4.702   4.004   7.918
  137   3HZ   LYS  16          2HZ       LYS  16  -4.818   2.447   8.440
  138    H    GLU  17           H        GLU  17  -2.485   9.959   4.958
  139    HA   GLU  17           HA       GLU  17   0.027  11.150   5.379
  140   1HB   GLU  17          1HB       GLU  17   0.818   9.465   3.700
  141   2HB   GLU  17          2HB       GLU  17  -0.322  10.130   2.517
  142   1HG   GLU  17          1HG       GLU  17   0.862  12.296   2.597
  143   2HG   GLU  17          2HG       GLU  17   1.915  11.690   3.890
  144    H    GLY  18           H        GLY  18  -2.582  10.827   2.977
  145   1HA   GLY  18          1HA       GLY  18  -3.988  13.081   3.831
  146   2HA   GLY  18          2HA       GLY  18  -2.921  13.675   2.547
  147    H    ASP  19           H        ASP  19  -3.186  12.833   0.390
  148    HA   ASP  19           HA       ASP  19  -5.913  12.798  -0.268
  149   1HB   ASP  19          1HB       ASP  19  -4.347  13.790  -1.763
  150   2HB   ASP  19          2HB       ASP  19  -3.452  12.273  -1.934
  151    HA   PRO  20           HA       PRO  20  -6.401   8.308   0.406
  152   1HB   PRO  20          1HB       PRO  20  -8.993   8.115  -0.606
  153   2HB   PRO  20          2HB       PRO  20  -8.565   8.522   1.092
  154   1HG   PRO  20          1HG       PRO  20  -9.288  10.335  -1.211
  155   2HG   PRO  20          2HG       PRO  20  -9.808  10.467   0.494
  156   1HD   PRO  20          1HD       PRO  20  -7.852  11.994  -0.516
  157   2HD   PRO  20          2HD       PRO  20  -7.707  11.350   1.145
  158    H    ASN  21           H        ASN  21  -6.725  10.061  -2.597
  159    HA   ASN  21           HA       ASN  21  -6.936   7.696  -4.312
  160   1HB   ASN  21          1HB       ASN  21  -6.591  10.625  -4.965
  161   2HB   ASN  21          2HB       ASN  21  -7.087   9.349  -6.074
  162   1HD2  ASN  21          1HD2      ASN  21  -9.842  11.144  -3.694
  163   2HD2  ASN  21          2HD2      ASN  21  -8.135  11.573  -3.612
  164    H    GLN  22           H        GLN  22  -4.298   9.062  -2.723
  165    HA   GLN  22           HA       GLN  22  -2.415   8.224  -4.896
  166   1HB   GLN  22          1HB       GLN  22  -2.800  10.649  -4.957
  167   2HB   GLN  22          2HB       GLN  22  -2.307  10.759  -3.259
  168   1HG   GLN  22          1HG       GLN  22  -0.057   9.946  -3.868
  169   2HG   GLN  22          2HG       GLN  22  -0.570   9.746  -5.557
  170   1HE2  GLN  22          1HE2      GLN  22   0.236  13.142  -6.257
  171   2HE2  GLN  22          2HE2      GLN  22   0.049  11.528  -6.897
  172    H    LEU  23           H        LEU  23  -0.919   6.713  -4.180
  173    HA   LEU  23           HA       LEU  23  -0.418   6.469  -1.271
  174   1HB   LEU  23          1HB       LEU  23   0.244   4.692  -3.630
  175   2HB   LEU  23          2HB       LEU  23   0.732   4.427  -1.978
  176    HG   LEU  23           HG       LEU  23  -2.201   4.634  -2.667
  177   1HD1  LEU  23          3HD1      LEU  23  -1.129   2.860  -4.075
  178   2HD1  LEU  23          1HD1      LEU  23  -0.440   2.153  -2.602
  179   3HD1  LEU  23          2HD1      LEU  23  -2.200   2.169  -2.833
  180   1HD2  LEU  23          1HD2      LEU  23  -1.486   4.740  -0.259
  181   2HD2  LEU  23          2HD2      LEU  23  -2.466   3.311  -0.632
  182   3HD2  LEU  23          3HD2      LEU  23  -0.708   3.157  -0.446
  183    H    SER  24           H        SER  24   1.575   7.042  -0.458
  184    HA   SER  24           HA       SER  24   3.809   7.771  -2.253
  185   1HB   SER  24          1HB       SER  24   4.882   8.464  -0.162
  186   2HB   SER  24          2HB       SER  24   3.245   9.126  -0.261
  187    HG   SER  24           HG       SER  24   3.373   8.265   1.732
  188    H    LYS  25           H        LYS  25   6.015   6.789  -1.396
  189    HA   LYS  25           HA       LYS  25   6.019   4.046  -1.953
  190   1HB   LYS  25          1HB       LYS  25   8.058   5.758  -0.435
  191   2HB   LYS  25          2HB       LYS  25   8.352   4.088  -0.939
  192   1HG   LYS  25          1HG       LYS  25   8.029   4.702  -3.296
  193   2HG   LYS  25          2HG       LYS  25   7.751   6.394  -2.832
  194   1HD   LYS  25          1HD       LYS  25  10.028   6.498  -1.853
  195   2HD   LYS  25          2HD       LYS  25  10.308   4.805  -2.315
  196   1HE   LYS  25          1HE       LYS  25   9.989   5.393  -4.704
  197   2HE   LYS  25          2HE       LYS  25   9.673   7.078  -4.258
  198   1HZ   LYS  25          3HZ       LYS  25  11.884   7.196  -3.371
  199   2HZ   LYS  25          1HZ       LYS  25  12.190   5.631  -3.791
  200   3HZ   LYS  25          2HZ       LYS  25  11.914   6.760  -4.959
  201    H    GLU  26           H        GLU  26   6.068   5.688   1.240
  202    HA   GLU  26           HA       GLU  26   6.396   3.259   2.715
  203   1HB   GLU  26          1HB       GLU  26   6.912   5.529   3.609
  204   2HB   GLU  26          2HB       GLU  26   5.180   5.908   3.612
  205   1HG   GLU  26          1HG       GLU  26   5.954   5.250   5.817
  206   2HG   GLU  26          2HG       GLU  26   4.760   4.091   5.240
  207    H    GLU  27           H        GLU  27   3.525   5.123   1.814
  208    HA   GLU  27           HA       GLU  27   1.625   3.432   3.100
  209   1HB   GLU  27          1HB       GLU  27   1.351   5.111   0.586
  210   2HB   GLU  27          2HB       GLU  27   0.008   4.376   1.486
  211   1HG   GLU  27          1HG       GLU  27   0.530   5.619   3.496
  212   2HG   GLU  27          2HG       GLU  27   1.975   6.328   2.771
  213    H    LEU  28           H        LEU  28   2.982   3.258  -0.292
  214    HA   LEU  28           HA       LEU  28   1.785   0.741  -0.900
  215   1HB   LEU  28          1HB       LEU  28   4.398   2.026  -1.750
  216   2HB   LEU  28          2HB       LEU  28   3.920   0.435  -2.349
  217    HG   LEU  28           HG       LEU  28   2.006   2.730  -2.493
  218   1HD1  LEU  28          1HD1      LEU  28   4.219   2.093  -4.468
  219   2HD1  LEU  28          2HD1      LEU  28   2.880   3.238  -4.738
  220   3HD1  LEU  28          3HD1      LEU  28   4.058   3.561  -3.458
  221   1HD2  LEU  28          1HD2      LEU  28   1.185   0.410  -3.068
  222   2HD2  LEU  28          2HD2      LEU  28   1.167   1.475  -4.485
  223   3HD2  LEU  28          3HD2      LEU  28   2.464   0.284  -4.289
  224    H    LYS  29           H        LYS  29   4.798   1.394   0.880
  225    HA   LYS  29           HA       LYS  29   5.595  -1.339   0.902
  226   1HB   LYS  29          1HB       LYS  29   6.964   0.701   1.611
  227   2HB   LYS  29          2HB       LYS  29   5.997   0.822   3.057
  228   1HG   LYS  29          1HG       LYS  29   6.747  -1.412   3.808
  229   2HG   LYS  29          2HG       LYS  29   7.752  -1.554   2.349
  230   1HD   LYS  29          1HD       LYS  29   9.117   0.361   3.080
  231   2HD   LYS  29          2HD       LYS  29   8.001   0.697   4.408
  232   1HE   LYS  29          1HE       LYS  29  10.057  -0.467   5.177
  233   2HE   LYS  29          2HE       LYS  29   8.574  -1.360   5.547
  234   1HZ   LYS  29          1HZ       LYS  29  10.327  -1.921   3.259
  235   2HZ   LYS  29          2HZ       LYS  29  10.311  -2.759   4.681
  236   3HZ   LYS  29          3HZ       LYS  29   8.983  -2.775   3.710
  237    H    LEU  30           H        LEU  30   3.803   0.523   3.309
  238    HA   LEU  30           HA       LEU  30   3.233  -1.701   5.004
  239   1HB   LEU  30          1HB       LEU  30   1.607   0.837   4.534
  240   2HB   LEU  30          2HB       LEU  30   1.363  -0.269   5.896
  241    HG   LEU  30           HG       LEU  30   3.964   1.241   5.392
  242   1HD1  LEU  30          3HD1      LEU  30   2.116   2.803   5.833
  243   2HD1  LEU  30          1HD1      LEU  30   1.669   1.882   7.286
  244   3HD1  LEU  30          2HD1      LEU  30   3.230   2.729   7.208
  245   1HD2  LEU  30          3HD2      LEU  30   2.938  -0.325   7.800
  246   2HD2  LEU  30          1HD2      LEU  30   4.305  -0.775   6.753
  247   3HD2  LEU  30          2HD2      LEU  30   4.412   0.665   7.767
  248    H    LEU  31           H        LEU  31   1.293  -0.345   2.369
  249    HA   LEU  31           HA       LEU  31  -0.872  -2.127   2.424
  250   1HB   LEU  31          1HB       LEU  31  -0.611  -0.086   1.061
  251   2HB   LEU  31          2HB       LEU  31   0.515  -0.910  -0.004
  252    HG   LEU  31           HG       LEU  31  -2.288  -1.987   0.403
  253   1HD1  LEU  31          1HD1      LEU  31  -1.401   0.280  -1.428
  254   2HD1  LEU  31          2HD1      LEU  31  -2.928  -0.597  -1.624
  255   3HD1  LEU  31          3HD1      LEU  31  -2.641   0.350  -0.159
  256   1HD2  LEU  31          3HD2      LEU  31  -0.345  -1.944  -1.986
  257   2HD2  LEU  31          1HD2      LEU  31  -0.628  -3.344  -0.946
  258   3HD2  LEU  31          2HD2      LEU  31  -1.932  -2.730  -1.972
  259    H    LEU  32           H        LEU  32   2.182  -2.443   0.656
  260    HA   LEU  32           HA       LEU  32   1.705  -4.995  -0.496
  261   1HB   LEU  32          1HB       LEU  32   4.261  -3.536   0.260
  262   2HB   LEU  32          2HB       LEU  32   4.286  -5.097  -0.556
  263    HG   LEU  32           HG       LEU  32   2.743  -2.758  -1.738
  264   1HD1  LEU  32          3HD1      LEU  32   5.102  -2.028  -1.380
  265   2HD1  LEU  32          1HD1      LEU  32   5.667  -3.475  -2.237
  266   3HD1  LEU  32          2HD1      LEU  32   4.717  -2.238  -3.091
  267   1HD2  LEU  32          3HD2      LEU  32   4.030  -5.245  -2.935
  268   2HD2  LEU  32          1HD2      LEU  32   2.288  -4.999  -2.674
  269   3HD2  LEU  32          2HD2      LEU  32   3.160  -3.984  -3.834
  270    H    GLN  33           H        GLN  33   3.554  -4.168   2.490
  271    HA   GLN  33           HA       GLN  33   4.175  -6.865   3.140
  272   1HB   GLN  33          1HB       GLN  33   4.171  -4.229   4.627
  273   2HB   GLN  33          2HB       GLN  33   4.181  -5.716   5.568
  274   1HG   GLN  33          1HG       GLN  33   6.408  -5.140   5.353
  275   2HG   GLN  33          2HG       GLN  33   6.164  -6.536   4.306
  276   1HE2  GLN  33          1HE2      GLN  33   6.602  -4.428   1.285
  277   2HE2  GLN  33          2HE2      GLN  33   5.452  -5.619   1.869
  278    H    THR  34           H        THR  34   1.517  -4.807   4.262
  279    HA   THR  34           HA       THR  34   0.489  -6.780   6.054
  280    HB   THR  34           HB       THR  34  -1.189  -4.652   4.706
  281    HG1  THR  34           HG1      THR  34   0.642  -3.673   5.601
  282   1HG2  THR  34          1HG2      THR  34  -1.311  -5.997   7.455
  283   2HG2  THR  34          2HG2      THR  34  -2.420  -4.734   6.910
  284   3HG2  THR  34          3HG2      THR  34  -2.428  -6.308   6.112
  285    H    GLU  35           H        GLU  35  -0.587  -5.893   2.686
  286    HA   GLU  35           HA       GLU  35  -2.582  -8.074   2.857
  287   1HB   GLU  35          1HB       GLU  35  -2.290  -5.578   1.172
  288   2HB   GLU  35          2HB       GLU  35  -3.589  -6.755   0.988
  289   1HG   GLU  35          1HG       GLU  35  -2.972  -5.207   3.559
  290   2HG   GLU  35          2HG       GLU  35  -4.160  -4.719   2.383
  291    H    PHE  36           H        PHE  36   0.381  -7.371   1.075
  292    HA   PHE  36           HA       PHE  36  -0.285  -9.646  -0.753
  293   1HB   PHE  36          1HB       PHE  36   0.873  -7.047  -1.711
  294   2HB   PHE  36          2HB       PHE  36   0.438  -8.466  -2.660
  295    HD1  PHE  36           HD1      PHE  36  -1.959  -8.936  -3.228
  296    HD2  PHE  36           HD2      PHE  36  -0.813  -5.554  -0.829
  297    HE1  PHE  36           HE1      PHE  36  -4.265  -7.987  -3.449
  298    HE2  PHE  36           HE2      PHE  36  -3.094  -4.629  -1.037
  299    HZ   PHE  36           HZ       PHE  36  -4.865  -5.944  -2.172
  300    HA   PRO  37           HA       PRO  37   4.051 -10.184   0.796
  301   1HB   PRO  37          1HB       PRO  37   3.722 -12.742   1.699
  302   2HB   PRO  37          2HB       PRO  37   3.418 -11.300   2.710
  303   1HG   PRO  37          1HG       PRO  37   1.384 -12.939   1.184
  304   2HG   PRO  37          2HG       PRO  37   1.300 -12.393   2.884
  305   1HD   PRO  37          1HD       PRO  37   0.051 -11.071   0.871
  306   2HD   PRO  37          2HD       PRO  37   0.777 -10.160   2.215
  307    H    SER  38           H        SER  38   1.575 -11.612  -1.241
  308    HA   SER  38           HA       SER  38   3.037 -13.447  -2.842
  309   1HB   SER  38          1HB       SER  38   1.152 -12.642  -4.460
  310   2HB   SER  38          2HB       SER  38   0.655 -13.409  -2.938
  311    HG   SER  38           HG       SER  38  -0.483 -11.458  -3.237
  312    H    LEU  39           H        LEU  39   1.971 -10.135  -3.548
  313    HA   LEU  39           HA       LEU  39   3.683  -9.537  -5.686
  314   1HB   LEU  39          1HB       LEU  39   2.613  -7.760  -3.468
  315   2HB   LEU  39          2HB       LEU  39   3.503  -7.114  -4.849
  316    HG   LEU  39           HG       LEU  39   0.877  -8.652  -5.061
  317   1HD1  LEU  39          1HD1      LEU  39   1.559  -5.690  -5.295
  318   2HD1  LEU  39          2HD1      LEU  39  -0.036  -6.386  -5.613
  319   3HD1  LEU  39          3HD1      LEU  39   0.633  -6.420  -3.984
  320   1HD2  LEU  39          3HD2      LEU  39   2.592  -7.199  -7.131
  321   2HD2  LEU  39          1HD2      LEU  39   2.145  -8.922  -7.135
  322   3HD2  LEU  39          2HD2      LEU  39   0.914  -7.693  -7.404
  323    H    LEU  40           H        LEU  40   4.324  -9.111  -2.229
  324    HA   LEU  40           HA       LEU  40   6.766  -7.840  -2.448
  325   1HB   LEU  40          1HB       LEU  40   5.431  -8.223  -0.356
  326   2HB   LEU  40          2HB       LEU  40   6.070  -9.874  -0.311
  327    HG   LEU  40           HG       LEU  40   8.359  -9.024  -0.022
  328   1HD1  LEU  40          1HD1      LEU  40   7.040  -6.281  -0.209
  329   2HD1  LEU  40          2HD1      LEU  40   8.644  -6.550   0.506
  330   3HD1  LEU  40          3HD1      LEU  40   8.374  -6.913  -1.200
  331   1HD2  LEU  40          1HD2      LEU  40   6.949  -9.454   1.943
  332   2HD2  LEU  40          2HD2      LEU  40   8.051  -8.098   2.244
  333   3HD2  LEU  40          3HD2      LEU  40   6.337  -7.789   1.890
  334    H    LYS  41           H        LYS  41   6.184 -11.246  -3.147
  335    HA   LYS  41           HA       LYS  41   8.759 -12.351  -2.936
  336   1HB   LYS  41          1HB       LYS  41   6.590 -12.699  -5.049
  337   2HB   LYS  41          2HB       LYS  41   8.050 -13.655  -4.952
  338   1HG   LYS  41          1HG       LYS  41   7.454 -14.533  -2.748
  339   2HG   LYS  41          2HG       LYS  41   6.089 -13.421  -2.628
  340   1HD   LYS  41          1HD       LYS  41   5.260 -15.619  -3.177
  341   2HD   LYS  41          2HD       LYS  41   4.971 -14.516  -4.533
  342   1HE   LYS  41          1HE       LYS  41   6.900 -15.463  -5.753
  343   2HE   LYS  41          2HE       LYS  41   7.301 -16.491  -4.362
  344   1HZ   LYS  41          1HZ       LYS  41   4.833 -16.620  -5.948
  345   2HZ   LYS  41          2HZ       LYS  41   6.100 -17.669  -6.041
  346   3HZ   LYS  41          3HZ       LYS  41   5.200 -17.585  -4.663
  347    H    GLY  42           H        GLY  42   7.422 -10.160  -5.342
  348   1HA   GLY  42          1HA       GLY  42   9.333 -10.164  -7.383
  349   2HA   GLY  42          2HA       GLY  42   8.439  -8.736  -6.834
  350    H    GLY  43           H        GLY  43   9.620  -8.823  -4.098
  351   1HA   GLY  43          1HA       GLY  43  11.359  -8.009  -2.923
  352   2HA   GLY  43          2HA       GLY  43  12.381  -8.954  -4.014
  353    H    SER  44           H        SER  44  13.178  -7.903  -5.945
  354    HA   SER  44           HA       SER  44  14.720  -6.282  -6.553
  355   1HB   SER  44          1HB       SER  44  11.924  -5.246  -7.169
  356   2HB   SER  44          2HB       SER  44  13.428  -4.876  -8.068
  357    HG   SER  44           HG       SER  44  12.209  -7.433  -7.720
  358    H    THR  45           H        THR  45  12.638  -3.531  -6.209
  359    HA   THR  45           HA       THR  45  13.357  -2.964  -3.483
  360    HB   THR  45           HB       THR  45  14.182  -0.676  -3.962
  361    HG1  THR  45           HG1      THR  45  14.522  -1.606  -6.603
  362   1HG2  THR  45          3HG2      THR  45  15.854  -2.465  -3.505
  363   2HG2  THR  45          1HG2      THR  45  16.024  -2.731  -5.253
  364   3HG2  THR  45          2HG2      THR  45  16.472  -1.170  -4.549
  365    H    LEU  46           H        LEU  46  11.914  -1.389  -2.661
  366    HA   LEU  46           HA       LEU  46   9.308  -1.211  -3.773
  367   1HB   LEU  46          1HB       LEU  46  10.691   0.816  -1.972
  368   2HB   LEU  46          2HB       LEU  46   8.951   0.450  -2.026
  369    HG   LEU  46           HG       LEU  46  11.262  -1.191  -0.947
  370   1HD1  LEU  46          3HD1      LEU  46  10.533   0.657   0.481
  371   2HD1  LEU  46          1HD1      LEU  46   8.863   0.055   0.434
  372   3HD1  LEU  46          2HD1      LEU  46  10.136  -0.906   1.221
  373   1HD2  LEU  46          3HD2      LEU  46   8.286  -1.943  -1.073
  374   2HD2  LEU  46          1HD2      LEU  46   9.599  -2.780  -1.929
  375   3HD2  LEU  46          2HD2      LEU  46   9.517  -2.845  -0.164
  376    H    ASP  47           H        ASP  47  12.160   0.841  -3.822
  377    HA   ASP  47           HA       ASP  47  11.217   3.034  -5.263
  378   1HB   ASP  47          1HB       ASP  47  13.970   1.722  -5.343
  379   2HB   ASP  47          2HB       ASP  47  13.604   3.376  -5.851
  380    H    GLU  48           H        GLU  48  12.849   0.169  -6.651
  381    HA   GLU  48           HA       GLU  48  12.401   0.857  -9.373
  382   1HB   GLU  48          1HB       GLU  48  12.697  -1.826  -7.993
  383   2HB   GLU  48          2HB       GLU  48  12.480  -1.690  -9.740
  384   1HG   GLU  48          1HG       GLU  48  14.482  -0.454 -10.064
  385   2HG   GLU  48          2HG       GLU  48  14.712  -0.172  -8.340
  386    H    LEU  49           H        LEU  49  10.358  -1.043  -7.147
  387    HA   LEU  49           HA       LEU  49   8.344  -1.609  -9.062
  388   1HB   LEU  49          1HB       LEU  49   8.490  -2.759  -6.915
  389   2HB   LEU  49          2HB       LEU  49   8.124  -1.263  -6.051
  390    HG   LEU  49           HG       LEU  49   5.863  -1.206  -7.014
  391   1HD1  LEU  49          1HD1      LEU  49   6.666  -3.817  -8.385
  392   2HD1  LEU  49          2HD1      LEU  49   5.002  -3.214  -8.247
  393   3HD1  LEU  49          3HD1      LEU  49   6.185  -2.305  -9.188
  394   1HD2  LEU  49          1HD2      LEU  49   6.320  -2.407  -4.897
  395   2HD2  LEU  49          2HD2      LEU  49   4.965  -3.124  -5.789
  396   3HD2  LEU  49          3HD2      LEU  49   6.555  -3.915  -5.805
  397    H    PHE  50           H        PHE  50   8.691   1.132  -6.844
  398    HA   PHE  50           HA       PHE  50   6.269   2.485  -7.404
  399   1HB   PHE  50          1HB       PHE  50   7.883   2.880  -5.522
  400   2HB   PHE  50          2HB       PHE  50   8.995   3.625  -6.652
  401    HD1  PHE  50           HD1      PHE  50   5.768   3.910  -4.915
  402    HD2  PHE  50           HD2      PHE  50   8.586   5.946  -7.450
  403    HE1  PHE  50           HE1      PHE  50   5.024   6.065  -3.979
  404    HE2  PHE  50           HE2      PHE  50   7.854   8.124  -6.494
  405    HZ   PHE  50           HZ       PHE  50   6.197   8.169  -4.648
  406    H    GLU  51           H        GLU  51   9.538   2.807  -8.842
  407    HA   GLU  51           HA       GLU  51   8.823   4.782 -10.758
  408   1HB   GLU  51          1HB       GLU  51  11.163   4.094 -10.006
  409   2HB   GLU  51          2HB       GLU  51  10.967   2.615 -10.969
  410   1HG   GLU  51          1HG       GLU  51  10.718   4.014 -13.024
  411   2HG   GLU  51          2HG       GLU  51  10.881   5.478 -12.043
  412    H    GLU  52           H        GLU  52   8.812   1.248 -10.898
  413    HA   GLU  52           HA       GLU  52   8.075   0.957 -13.618
  414   1HB   GLU  52          1HB       GLU  52   8.847  -0.884 -12.096
  415   2HB   GLU  52          2HB       GLU  52   7.251  -0.860 -11.328
  416   1HG   GLU  52          1HG       GLU  52   6.195  -1.412 -13.512
  417   2HG   GLU  52          2HG       GLU  52   7.795  -1.423 -14.272
  418    H    LEU  53           H        LEU  53   6.050   1.317 -10.712
  419    HA   LEU  53           HA       LEU  53   3.536   1.171 -12.076
  420   1HB   LEU  53          1HB       LEU  53   4.344   2.396  -9.423
  421   2HB   LEU  53          2HB       LEU  53   2.681   2.198  -9.963
  422    HG   LEU  53           HG       LEU  53   4.601  -0.149  -9.646
  423   1HD1  LEU  53          3HD1      LEU  53   4.236   1.075  -7.504
  424   2HD1  LEU  53          1HD1      LEU  53   2.483   0.864  -7.719
  425   3HD1  LEU  53          2HD1      LEU  53   3.539  -0.545  -7.498
  426   1HD2  LEU  53          3HD2      LEU  53   1.583  -0.027  -9.959
  427   2HD2  LEU  53          1HD2      LEU  53   2.760  -0.676 -11.125
  428   3HD2  LEU  53          2HD2      LEU  53   2.538  -1.482  -9.580
  429    H    ASP  54           H        ASP  54   5.374   3.966 -10.857
  430    HA   ASP  54           HA       ASP  54   3.621   5.811 -12.432
  431   1HB   ASP  54          1HB       ASP  54   3.595   6.291 -10.096
  432   2HB   ASP  54          2HB       ASP  54   5.352   6.200  -9.968
  433    H    LYS  55           H        LYS  55   4.553   5.865 -14.440
  434    HA   LYS  55           HA       LYS  55   7.407   5.902 -14.790
  435   1HB   LYS  55          1HB       LYS  55   5.357   6.658 -16.812
  436   2HB   LYS  55          2HB       LYS  55   7.079   6.285 -17.022
  437   1HG   LYS  55          1HG       LYS  55   4.829   4.426 -16.164
  438   2HG   LYS  55          2HG       LYS  55   5.764   4.325 -17.664
  439   1HD   LYS  55          1HD       LYS  55   6.676   3.717 -14.833
  440   2HD   LYS  55          2HD       LYS  55   6.378   2.550 -16.103
  441   1HE   LYS  55          1HE       LYS  55   8.297   3.318 -17.395
  442   2HE   LYS  55          2HE       LYS  55   8.577   4.669 -16.285
  443   1HZ   LYS  55          3HZ       LYS  55   8.931   3.087 -14.535
  444   2HZ   LYS  55          1HZ       LYS  55   8.792   1.837 -15.602
  445   3HZ   LYS  55          2HZ       LYS  55  10.030   2.916 -15.760
  446    H    ASN  56           H        ASN  56   7.674   7.538 -13.320
  447    HA   ASN  56           HA       ASN  56   7.995   9.592 -12.411
  448   1HB   ASN  56          1HB       ASN  56   9.749  10.713 -13.274
  449   2HB   ASN  56          2HB       ASN  56   9.936   9.127 -14.018
  450   1HD2  ASN  56          1HD2      ASN  56   8.713  10.853 -17.223
  451   2HD2  ASN  56          2HD2      ASN  56   7.887   9.735 -16.149
  452    H    GLY  57           H        GLY  57   5.370   9.499 -13.091
  453   1HA   GLY  57          1HA       GLY  57   4.596  11.835 -14.657
  454   2HA   GLY  57          2HA       GLY  57   3.542  10.746 -13.748
  455    H    ASP  58           H        ASP  58   3.407  11.014 -11.374
  456    HA   ASP  58           HA       ASP  58   3.593  13.848 -10.583
  457   1HB   ASP  58          1HB       ASP  58   2.009  13.218  -8.896
  458   2HB   ASP  58          2HB       ASP  58   1.403  12.797 -10.498
  459    H    GLY  59           H        GLY  59   4.866  10.630  -9.775
  460   1HA   GLY  59          1HA       GLY  59   6.853  10.254  -8.569
  461   2HA   GLY  59          2HA       GLY  59   6.717  11.824  -7.769
  462    H    GLU  60           H        GLU  60   3.946   9.643  -8.157
  463    HA   GLU  60           HA       GLU  60   4.082   8.363  -5.551
  464   1HB   GLU  60          1HB       GLU  60   1.773  10.229  -6.193
  465   2HB   GLU  60          2HB       GLU  60   1.938   9.158  -4.810
  466   1HG   GLU  60          1HG       GLU  60   2.389  11.218  -3.876
  467   2HG   GLU  60          2HG       GLU  60   3.989  10.519  -4.112
  468    H    VAL  61           H        VAL  61   1.896   7.041  -5.460
  469    HA   VAL  61           HA       VAL  61   1.273   6.145  -8.279
  470    HB   VAL  61           HB       VAL  61   1.314   4.479  -5.772
  471   1HG1  VAL  61          3HG1      VAL  61  -0.275   3.793  -7.644
  472   2HG1  VAL  61          1HG1      VAL  61   1.141   3.640  -8.701
  473   3HG1  VAL  61          2HG1      VAL  61   0.979   2.602  -7.270
  474   1HG2  VAL  61          3HG2      VAL  61   3.291   4.749  -8.107
  475   2HG2  VAL  61          1HG2      VAL  61   3.628   5.051  -6.393
  476   3HG2  VAL  61          2HG2      VAL  61   3.324   3.402  -6.965
  477    H    SER  62           H        SER  62  -0.576   7.240  -8.721
  478    HA   SER  62           HA       SER  62  -2.763   7.331  -6.798
  479   1HB   SER  62          1HB       SER  62  -2.355   9.180  -8.404
  480   2HB   SER  62          2HB       SER  62  -2.792   8.089  -9.734
  481    HG   SER  62           HG       SER  62  -4.441   8.752  -7.495
  482    H    PHE  63           H        PHE  63  -4.967   6.595  -7.536
  483    HA   PHE  63           HA       PHE  63  -4.888   3.788  -7.484
  484   1HB   PHE  63          1HB       PHE  63  -6.711   5.110  -6.538
  485   2HB   PHE  63          2HB       PHE  63  -7.266   5.540  -8.160
  486    HD1  PHE  63           HD1      PHE  63  -6.471   2.541  -6.023
  487    HD2  PHE  63           HD2      PHE  63  -8.897   4.114  -9.220
  488    HE1  PHE  63           HE1      PHE  63  -7.725   0.420  -6.109
  489    HE2  PHE  63           HE2      PHE  63 -10.198   2.005  -9.252
  490    HZ   PHE  63           HZ       PHE  63  -9.650   0.173  -7.640
  491    H    GLU  64           H        GLU  64  -5.301   5.933 -10.276
  492    HA   GLU  64           HA       GLU  64  -6.120   3.867 -12.086
  493   1HB   GLU  64          1HB       GLU  64  -6.443   6.266 -12.513
  494   2HB   GLU  64          2HB       GLU  64  -4.704   6.536 -12.632
  495   1HG   GLU  64          1HG       GLU  64  -6.283   4.666 -14.466
  496   2HG   GLU  64          2HG       GLU  64  -5.985   6.371 -14.820
  497    H    GLU  65           H        GLU  65  -2.878   5.438 -11.754
  498    HA   GLU  65           HA       GLU  65  -1.552   3.498 -13.320
  499   1HB   GLU  65          1HB       GLU  65   0.541   4.411 -12.362
  500   2HB   GLU  65          2HB       GLU  65  -0.572   5.607 -13.035
  501   1HG   GLU  65          1HG       GLU  65  -1.385   6.067 -10.659
  502   2HG   GLU  65          2HG       GLU  65  -0.063   5.044 -10.092
  503    H    PHE  66           H        PHE  66  -2.279   3.465  -9.843
  504    HA   PHE  66           HA       PHE  66  -0.886   1.142  -9.041
  505   1HB   PHE  66          1HB       PHE  66  -2.001   2.424  -7.421
  506   2HB   PHE  66          2HB       PHE  66  -3.486   2.402  -8.359
  507    HD1  PHE  66           HD1      PHE  66  -1.359   0.263  -6.149
  508    HD2  PHE  66           HD2      PHE  66  -5.155   0.843  -8.071
  509    HE1  PHE  66           HE1      PHE  66  -2.376  -1.484  -4.697
  510    HE2  PHE  66           HE2      PHE  66  -6.092  -1.102  -6.887
  511    HZ   PHE  66           HZ       PHE  66  -4.734  -2.170  -5.038
  512    H    GLN  67           H        GLN  67  -3.708   1.357 -11.246
  513    HA   GLN  67           HA       GLN  67  -4.405  -1.397 -11.073
  514   1HB   GLN  67          1HB       GLN  67  -4.524   0.318 -13.576
  515   2HB   GLN  67          2HB       GLN  67  -5.312  -1.237 -13.311
  516   1HG   GLN  67          1HG       GLN  67  -5.995   1.405 -12.001
  517   2HG   GLN  67          2HG       GLN  67  -7.000   0.381 -13.013
  518   1HE2  GLN  67          1HE2      GLN  67  -7.076  -0.031  -9.008
  519   2HE2  GLN  67          2HE2      GLN  67  -6.371   1.322  -9.868
  520    H    VAL  68           H        VAL  68  -1.495   0.040 -12.434
  521    HA   VAL  68           HA       VAL  68  -0.683  -2.260 -13.960
  522    HB   VAL  68           HB       VAL  68   0.972  -0.141 -12.545
  523   1HG1  VAL  68          1HG1      VAL  68   1.764  -2.178 -14.676
  524   2HG1  VAL  68          2HG1      VAL  68   2.772  -0.825 -14.117
  525   3HG1  VAL  68          3HG1      VAL  68   2.357  -2.131 -13.003
  526   1HG2  VAL  68          1HG2      VAL  68  -0.539   0.772 -14.320
  527   2HG2  VAL  68          2HG2      VAL  68   1.160   0.853 -14.793
  528   3HG2  VAL  68          3HG2      VAL  68   0.113  -0.416 -15.464
  529    H    LEU  69           H        LEU  69  -0.695  -1.510 -10.471
  530    HA   LEU  69           HA       LEU  69   0.971  -3.787  -9.769
  531   1HB   LEU  69          1HB       LEU  69   0.566  -1.651  -8.328
  532   2HB   LEU  69          2HB       LEU  69  -1.014  -2.346  -7.974
  533    HG   LEU  69           HG       LEU  69   0.229  -4.453  -7.169
  534   1HD1  LEU  69          1HD1      LEU  69   2.557  -2.491  -7.227
  535   2HD1  LEU  69          2HD1      LEU  69   2.578  -4.046  -6.401
  536   3HD1  LEU  69          3HD1      LEU  69   2.460  -3.998  -8.160
  537   1HD2  LEU  69          3HD2      LEU  69   0.557  -1.797  -5.717
  538   2HD2  LEU  69          1HD2      LEU  69  -0.825  -2.917  -5.633
  539   3HD2  LEU  69          2HD2      LEU  69   0.738  -3.395  -4.962
  540    H    VAL  70           H        VAL  70  -2.530  -3.009  -9.996
  541    HA   VAL  70           HA       VAL  70  -3.460  -5.566  -9.135
  542    HB   VAL  70           HB       VAL  70  -4.796  -3.699 -11.130
  543   1HG1  VAL  70          1HG1      VAL  70  -5.891  -5.946  -9.391
  544   2HG1  VAL  70          2HG1      VAL  70  -6.873  -4.792 -10.320
  545   3HG1  VAL  70          3HG1      VAL  70  -5.811  -5.924 -11.165
  546   1HG2  VAL  70          3HG2      VAL  70  -4.915  -3.872  -8.082
  547   2HG2  VAL  70          1HG2      VAL  70  -4.331  -2.499  -9.025
  548   3HG2  VAL  70          2HG2      VAL  70  -6.042  -2.926  -9.075
  549    H    LYS  71           H        LYS  71  -2.392  -4.439 -12.365
  550    HA   LYS  71           HA       LYS  71  -2.782  -6.890 -13.721
  551   1HB   LYS  71          1HB       LYS  71  -2.288  -5.073 -15.073
  552   2HB   LYS  71          2HB       LYS  71  -0.866  -4.604 -14.151
  553   1HG   LYS  71          1HG       LYS  71   0.387  -6.527 -14.902
  554   2HG   LYS  71          2HG       LYS  71  -1.037  -7.176 -15.754
  555   1HD   LYS  71          1HD       LYS  71  -1.054  -5.164 -17.222
  556   2HD   LYS  71          2HD       LYS  71   0.355  -4.519 -16.354
  557   1HE   LYS  71          1HE       LYS  71   1.689  -6.509 -17.043
  558   2HE   LYS  71          2HE       LYS  71   0.283  -7.150 -17.913
  559   1HZ   LYS  71          3HZ       LYS  71   0.342  -5.210 -19.306
  560   2HZ   LYS  71          1HZ       LYS  71   1.651  -4.618 -18.497
  561   3HZ   LYS  71          2HZ       LYS  71   1.780  -6.013 -19.364
  562    H    LYS  72           H        LYS  72   0.110  -5.803 -11.925
  563    HA   LYS  72           HA       LYS  72   1.499  -8.271 -12.060
  564   1HB   LYS  72          1HB       LYS  72   1.568  -6.097  -9.949
  565   2HB   LYS  72          2HB       LYS  72   2.361  -7.642  -9.691
  566   1HG   LYS  72          1HG       LYS  72   4.031  -6.262 -10.486
  567   2HG   LYS  72          2HG       LYS  72   3.641  -7.361 -11.813
  568   1HD   LYS  72          1HD       LYS  72   2.356  -5.547 -12.931
  569   2HD   LYS  72          2HD       LYS  72   2.593  -4.511 -11.510
  570   1HE   LYS  72          1HE       LYS  72   4.142  -3.859 -13.278
  571   2HE   LYS  72          2HE       LYS  72   5.008  -4.458 -11.856
  572   1HZ   LYS  72          1HZ       LYS  72   4.469  -5.988 -14.307
  573   2HZ   LYS  72          2HZ       LYS  72   5.909  -5.302 -13.878
  574   3HZ   LYS  72          3HZ       LYS  72   5.290  -6.544 -12.989
  575    H    ILE  73           H        ILE  73  -0.945  -7.353  -9.633
  576    HA   ILE  73           HA       ILE  73  -0.919  -9.796  -8.163
  577    HB   ILE  73           HB       ILE  73  -3.276  -7.947  -8.727
  578   1HG1  ILE  73          1HG1      ILE  73  -1.501  -8.222  -6.264
  579   2HG1  ILE  73          2HG1      ILE  73  -1.338  -6.955  -7.485
  580   1HG2  ILE  73          1HG2      ILE  73  -3.037 -10.188  -6.679
  581   2HG2  ILE  73          2HG2      ILE  73  -4.387  -9.041  -6.804
  582   3HG2  ILE  73          3HG2      ILE  73  -4.111 -10.184  -8.093
  583   1HD1  ILE  73          3HD1      ILE  73  -3.657  -6.173  -6.977
  584   2HD1  ILE  73          1HD1      ILE  73  -3.712  -7.333  -5.640
  585   3HD1  ILE  73          2HD1      ILE  73  -2.522  -6.030  -5.624
  586    H    SER  74           H        SER  74  -2.545  -8.892 -11.152
  587    HA   SER  74           HA       SER  74  -3.712 -11.563 -11.558
  588   1HB   SER  74          1HB       SER  74  -3.648  -9.215 -13.479
  589   2HB   SER  74          2HB       SER  74  -4.783 -10.571 -13.442
  590    HG   SER  74           HG       SER  74  -4.504  -8.476 -11.526
  591    H    GLN  75           H        GLN  75  -0.610 -11.044 -11.575
  592    HA   GLN  75           HA       GLN  75   1.223 -11.346 -12.845
  593   1HB   GLN  75          1HB       GLN  75  -0.592 -13.690 -13.343
  594   2HB   GLN  75          2HB       GLN  75   1.005 -13.633 -14.112
  595   1HG   GLN  75          1HG       GLN  75   1.094 -14.933 -12.033
  596   2HG   GLN  75          2HG       GLN  75   2.115 -13.494 -11.946
  597   1HE2  GLN  75          1HE2      GLN  75  -1.434 -13.161  -9.868
  598   2HE2  GLN  75          2HE2      GLN  75  -1.431 -14.056 -11.381
   
  No H/Q in entry =         598
  Start of MODEL          13
 Raw file had  599 H/Q atoms
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  -7.483 -11.096  -5.772
    2   2H    LYS   1          2H        LYS   1  -6.200 -10.013  -5.676
    3   3H    LYS   1          3H        LYS   1  -6.533 -11.039  -4.385
    4    HA   LYS   1           HA       LYS   1  -8.621  -9.971  -4.004
    5   1HB   LYS   1          1HB       LYS   1  -6.326  -7.993  -4.228
    6   2HB   LYS   1          2HB       LYS   1  -7.746  -7.838  -3.187
    7   1HG   LYS   1          1HG       LYS   1  -5.565  -9.966  -2.979
    8   2HG   LYS   1          2HG       LYS   1  -5.768  -8.559  -1.926
    9   1HD   LYS   1          1HD       LYS   1  -8.012  -9.469  -1.225
   10   2HD   LYS   1          2HD       LYS   1  -7.650 -10.939  -2.160
   11   1HE   LYS   1          1HE       LYS   1  -5.603 -11.300  -0.799
   12   2HE   LYS   1          2HE       LYS   1  -5.963  -9.839   0.140
   13   1HZ   LYS   1          1HZ       LYS   1  -7.659 -12.229  -0.016
   14   2HZ   LYS   1          2HZ       LYS   1  -6.693 -11.803   1.248
   15   3HZ   LYS   1          3HZ       LYS   1  -7.992 -10.869   0.853
   16    H    SER   2           H        SER   2 -10.283  -8.604  -4.720
   17    HA   SER   2           HA       SER   2 -10.393  -8.296  -7.563
   18   1HB   SER   2          1HB       SER   2 -12.604  -7.274  -7.077
   19   2HB   SER   2          2HB       SER   2 -12.366  -8.791  -6.203
   20    HG   SER   2           HG       SER   2 -13.154  -7.239  -4.773
   21    HA   PRO   3           HA       PRO   3  -8.835  -4.076  -8.103
   22   1HB   PRO   3          1HB       PRO   3 -11.513  -3.668  -9.469
   23   2HB   PRO   3          2HB       PRO   3  -9.904  -3.071  -9.975
   24   1HG   PRO   3          1HG       PRO   3 -10.936  -5.288 -11.144
   25   2HG   PRO   3          2HG       PRO   3  -9.226  -5.288 -10.621
   26   1HD   PRO   3          1HD       PRO   3 -11.604  -6.517  -9.220
   27   2HD   PRO   3          2HD       PRO   3  -9.954  -7.168  -9.457
   28    H    GLU   4           H        GLU   4 -12.289  -4.525  -7.211
   29    HA   GLU   4           HA       GLU   4 -12.720  -2.119  -5.831
   30   1HB   GLU   4          1HB       GLU   4 -13.970  -4.820  -5.310
   31   2HB   GLU   4          2HB       GLU   4 -14.541  -3.240  -4.755
   32   1HG   GLU   4          1HG       GLU   4 -15.702  -3.138  -6.652
   33   2HG   GLU   4          2HG       GLU   4 -14.212  -2.724  -7.460
   34    H    GLU   5           H        GLU   5 -11.534  -5.258  -4.584
   35    HA   GLU   5           HA       GLU   5 -11.383  -4.422  -1.838
   36   1HB   GLU   5          1HB       GLU   5 -11.376  -6.804  -2.532
   37   2HB   GLU   5          2HB       GLU   5  -9.819  -6.588  -3.341
   38   1HG   GLU   5          1HG       GLU   5  -9.546  -7.651  -1.154
   39   2HG   GLU   5          2HG       GLU   5  -8.746  -6.078  -1.171
   40    H    LEU   6           H        LEU   6  -9.118  -4.507  -4.541
   41    HA   LEU   6           HA       LEU   6  -6.865  -3.439  -3.213
   42   1HB   LEU   6          1HB       LEU   6  -7.727  -3.571  -6.120
   43   2HB   LEU   6          2HB       LEU   6  -6.239  -2.811  -5.648
   44    HG   LEU   6           HG       LEU   6  -6.984  -5.582  -4.583
   45   1HD1  LEU   6          3HD1      LEU   6  -7.097  -5.776  -7.050
   46   2HD1  LEU   6          1HD1      LEU   6  -5.403  -5.221  -7.132
   47   3HD1  LEU   6          2HD1      LEU   6  -5.798  -6.728  -6.300
   48   1HD2  LEU   6          3HD2      LEU   6  -4.320  -4.178  -5.160
   49   2HD2  LEU   6          1HD2      LEU   6  -4.986  -4.489  -3.545
   50   3HD2  LEU   6          2HD2      LEU   6  -4.472  -5.835  -4.579
   51    H    LYS   7           H        LYS   7  -9.557  -1.750  -4.865
   52    HA   LYS   7           HA       LYS   7  -8.514   0.861  -4.470
   53   1HB   LYS   7          1HB       LYS   7 -10.575  -0.081  -5.844
   54   2HB   LYS   7          2HB       LYS   7 -11.451   0.142  -4.347
   55   1HG   LYS   7          1HG       LYS   7 -10.129   2.157  -6.193
   56   2HG   LYS   7          2HG       LYS   7 -11.832   2.046  -5.758
   57   1HD   LYS   7          1HD       LYS   7 -11.227   2.797  -3.439
   58   2HD   LYS   7          2HD       LYS   7  -9.539   2.982  -3.976
   59   1HE   LYS   7          1HE       LYS   7 -11.907   4.492  -5.150
   60   2HE   LYS   7          2HE       LYS   7 -10.724   5.141  -4.006
   61   1HZ   LYS   7          3HZ       LYS   7  -9.009   4.731  -5.614
   62   2HZ   LYS   7          1HZ       LYS   7 -10.112   4.184  -6.705
   63   3HZ   LYS   7          2HZ       LYS   7 -10.161   5.752  -6.202
   64    H    GLY   8           H        GLY   8 -10.548  -1.211  -2.411
   65   1HA   GLY   8          1HA       GLY   8 -11.012   0.611  -0.277
   66   2HA   GLY   8          2HA       GLY   8 -10.945  -1.157  -0.127
   67    H    ILE   9           H        ILE   9  -8.507  -1.890  -0.621
   68    HA   ILE   9           HA       ILE   9  -6.777  -1.272   1.547
   69    HB   ILE   9           HB       ILE   9  -6.306  -2.413  -1.231
   70   1HG1  ILE   9          1HG1      ILE   9  -6.558  -3.694   1.535
   71   2HG1  ILE   9          2HG1      ILE   9  -7.822  -3.680   0.301
   72   1HG2  ILE   9          3HG2      ILE   9  -4.201  -1.467  -0.370
   73   2HG2  ILE   9          1HG2      ILE   9  -4.397  -2.412   1.120
   74   3HG2  ILE   9          2HG2      ILE   9  -4.136  -3.213  -0.445
   75   1HD1  ILE   9          3HD1      ILE   9  -6.303  -4.945  -1.233
   76   2HD1  ILE   9          1HD1      ILE   9  -5.130  -5.074   0.099
   77   3HD1  ILE   9          2HD1      ILE   9  -6.722  -5.820   0.258
   78    H    PHE  10           H        PHE  10  -6.666  -0.034  -1.845
   79    HA   PHE  10           HA       PHE  10  -4.394   1.541  -1.553
   80   1HB   PHE  10          1HB       PHE  10  -5.568   0.968  -3.684
   81   2HB   PHE  10          2HB       PHE  10  -6.854   2.069  -3.268
   82    HD1  PHE  10           HD1      PHE  10  -6.328   4.553  -2.945
   83    HD2  PHE  10           HD2      PHE  10  -3.587   1.744  -4.765
   84    HE1  PHE  10           HE1      PHE  10  -4.973   6.382  -3.781
   85    HE2  PHE  10           HE2      PHE  10  -2.399   3.638  -5.851
   86    HZ   PHE  10           HZ       PHE  10  -3.127   5.956  -5.425
   87    H    GLU  11           H        GLU  11  -7.822   2.404  -0.943
   88    HA   GLU  11           HA       GLU  11  -7.288   5.140  -0.174
   89   1HB   GLU  11          1HB       GLU  11  -9.611   3.258   0.421
   90   2HB   GLU  11          2HB       GLU  11  -9.557   4.952   0.940
   91   1HG   GLU  11          1HG       GLU  11  -9.328   5.714  -1.382
   92   2HG   GLU  11          2HG       GLU  11  -9.319   4.043  -1.952
   93    H    LYS  12           H        LYS  12  -7.867   2.160   1.729
   94    HA   LYS  12           HA       LYS  12  -7.601   3.090   4.323
   95   1HB   LYS  12          1HB       LYS  12  -8.211   0.842   3.969
   96   2HB   LYS  12          2HB       LYS  12  -6.787   0.491   2.991
   97   1HG   LYS  12          1HG       LYS  12  -5.308   0.515   4.840
   98   2HG   LYS  12          2HG       LYS  12  -6.587   1.135   5.931
   99   1HD   LYS  12          1HD       LYS  12  -7.870  -0.984   5.566
  100   2HD   LYS  12          2HD       LYS  12  -6.615  -1.545   4.451
  101   1HE   LYS  12          1HE       LYS  12  -6.292  -2.608   6.611
  102   2HE   LYS  12          2HE       LYS  12  -4.946  -1.504   6.304
  103   1HZ   LYS  12          1HZ       LYS  12  -7.284  -0.927   7.987
  104   2HZ   LYS  12          2HZ       LYS  12  -5.780  -1.322   8.528
  105   3HZ   LYS  12          3HZ       LYS  12  -6.018   0.095   7.723
  106    H    TYR  13           H        TYR  13  -4.912   2.020   2.183
  107    HA   TYR  13           HA       TYR  13  -2.949   2.739   4.213
  108   1HB   TYR  13          1HB       TYR  13  -2.794   1.668   1.406
  109   2HB   TYR  13          2HB       TYR  13  -1.354   2.196   2.282
  110    HD1  TYR  13           HD1      TYR  13  -0.848   1.288   4.533
  111    HD2  TYR  13           HD2      TYR  13  -4.009  -0.405   2.185
  112    HE1  TYR  13           HE1      TYR  13  -0.879  -0.732   5.999
  113    HE2  TYR  13           HE2      TYR  13  -4.034  -2.387   3.540
  114    HH   TYR  13           HH       TYR  13  -1.762  -2.909   6.254
  115    H    ALA  14           H        ALA  14  -4.044   4.239   1.180
  116    HA   ALA  14           HA       ALA  14  -2.087   6.303   1.135
  117   1HB   ALA  14          1HB       ALA  14  -4.951   6.340   0.093
  118   2HB   ALA  14          2HB       ALA  14  -3.669   7.499  -0.326
  119   3HB   ALA  14          3HB       ALA  14  -3.524   5.807  -0.810
  120    H    ALA  15           H        ALA  15  -5.399   6.381   2.374
  121    HA   ALA  15           HA       ALA  15  -5.568   9.026   3.069
  122   1HB   ALA  15          3HB       ALA  15  -7.468   7.461   3.058
  123   2HB   ALA  15          1HB       ALA  15  -6.833   6.665   4.520
  124   3HB   ALA  15          2HB       ALA  15  -7.393   8.349   4.596
  125    H    LYS  16           H        LYS  16  -3.984   6.475   4.948
  126    HA   LYS  16           HA       LYS  16  -3.924   7.684   7.497
  127   1HB   LYS  16          1HB       LYS  16  -1.945   5.857   6.081
  128   2HB   LYS  16          2HB       LYS  16  -1.822   6.280   7.793
  129   1HG   LYS  16          1HG       LYS  16  -3.910   5.218   8.329
  130   2HG   LYS  16          2HG       LYS  16  -4.301   4.977   6.622
  131   1HD   LYS  16          1HD       LYS  16  -2.290   3.521   6.371
  132   2HD   LYS  16          2HD       LYS  16  -1.947   3.708   8.101
  133   1HE   LYS  16          1HE       LYS  16  -4.110   2.639   8.658
  134   2HE   LYS  16          2HE       LYS  16  -4.511   2.518   6.934
  135   1HZ   LYS  16          1HZ       LYS  16  -2.243   1.197   8.242
  136   2HZ   LYS  16          2HZ       LYS  16  -3.650   0.472   7.783
  137   3HZ   LYS  16          3HZ       LYS  16  -2.633   1.091   6.644
  138    H    GLU  17           H        GLU  17  -2.012   8.405   4.605
  139    HA   GLU  17           HA       GLU  17  -0.390  10.391   6.149
  140   1HB   GLU  17          1HB       GLU  17   0.848   8.315   6.212
  141   2HB   GLU  17          2HB       GLU  17   0.637   8.082   4.483
  142   1HG   GLU  17          1HG       GLU  17   2.032  10.179   4.102
  143   2HG   GLU  17          2HG       GLU  17   2.310  10.230   5.848
  144    H    GLY  18           H        GLY  18  -1.423   9.202   2.970
  145   1HA   GLY  18          1HA       GLY  18  -0.499  11.756   1.697
  146   2HA   GLY  18          2HA       GLY  18  -0.621  10.179   0.908
  147    H    ASP  19           H        ASP  19  -1.827  11.995  -0.472
  148    HA   ASP  19           HA       ASP  19  -4.534  12.594   0.216
  149   1HB   ASP  19          1HB       ASP  19  -3.301  13.758  -1.591
  150   2HB   ASP  19          2HB       ASP  19  -3.234  12.255  -2.527
  151    HA   PRO  20           HA       PRO  20  -6.073   8.444   0.133
  152   1HB   PRO  20          1HB       PRO  20  -8.678   8.849  -0.863
  153   2HB   PRO  20          2HB       PRO  20  -8.143   8.961   0.841
  154   1HG   PRO  20          1HG       PRO  20  -8.465  11.172  -1.191
  155   2HG   PRO  20          2HG       PRO  20  -8.947  11.182   0.531
  156   1HD   PRO  20          1HD       PRO  20  -6.703  12.398  -0.252
  157   2HD   PRO  20          2HD       PRO  20  -6.660  11.406   1.234
  158    H    ASN  21           H        ASN  21  -6.174  10.366  -2.843
  159    HA   ASN  21           HA       ASN  21  -6.837   8.113  -4.585
  160   1HB   ASN  21          1HB       ASN  21  -6.033  10.986  -5.188
  161   2HB   ASN  21          2HB       ASN  21  -6.673   9.810  -6.328
  162   1HD2  ASN  21          1HD2      ASN  21  -9.196  11.881  -3.899
  163   2HD2  ASN  21          2HD2      ASN  21  -7.449  12.021  -3.724
  164    H    GLN  22           H        GLN  22  -3.916   9.120  -3.090
  165    HA   GLN  22           HA       GLN  22  -2.274   7.965  -5.257
  166   1HB   GLN  22          1HB       GLN  22  -2.686  10.388  -5.706
  167   2HB   GLN  22          2HB       GLN  22  -1.875  10.767  -4.177
  168   1HG   GLN  22          1HG       GLN  22   0.170   9.705  -5.023
  169   2HG   GLN  22          2HG       GLN  22  -0.645   9.212  -6.507
  170   1HE2  GLN  22          1HE2      GLN  22  -0.326  12.358  -8.108
  171   2HE2  GLN  22          2HE2      GLN  22  -0.933  10.713  -8.213
  172    H    LEU  23           H        LEU  23  -0.817   6.562  -4.430
  173    HA   LEU  23           HA       LEU  23  -0.370   6.537  -1.552
  174   1HB   LEU  23          1HB       LEU  23   0.424   4.639  -3.768
  175   2HB   LEU  23          2HB       LEU  23   0.878   4.465  -2.092
  176    HG   LEU  23           HG       LEU  23  -2.041   4.616  -2.841
  177   1HD1  LEU  23          3HD1      LEU  23  -0.949   2.720  -4.081
  178   2HD1  LEU  23          1HD1      LEU  23  -0.281   2.142  -2.544
  179   3HD1  LEU  23          2HD1      LEU  23  -2.029   2.139  -2.790
  180   1HD2  LEU  23          1HD2      LEU  23  -1.369   4.901  -0.433
  181   2HD2  LEU  23          2HD2      LEU  23  -2.337   3.445  -0.713
  182   3HD2  LEU  23          3HD2      LEU  23  -0.582   3.314  -0.493
  183    H    SER  24           H        SER  24   1.476   7.127  -0.553
  184    HA   SER  24           HA       SER  24   3.865   7.996  -2.007
  185   1HB   SER  24          1HB       SER  24   4.739   8.567   0.128
  186   2HB   SER  24          2HB       SER  24   3.020   8.947   0.240
  187    HG   SER  24           HG       SER  24   3.595   7.778   2.055
  188    H    LYS  25           H        LYS  25   6.043   6.991  -1.225
  189    HA   LYS  25           HA       LYS  25   6.122   4.243  -1.865
  190   1HB   LYS  25          1HB       LYS  25   8.095   6.004  -0.293
  191   2HB   LYS  25          2HB       LYS  25   8.430   4.328  -0.750
  192   1HG   LYS  25          1HG       LYS  25   8.176   4.900  -3.131
  193   2HG   LYS  25          2HG       LYS  25   7.922   6.606  -2.697
  194   1HD   LYS  25          1HD       LYS  25  10.172   6.668  -1.657
  195   2HD   LYS  25          2HD       LYS  25  10.409   4.952  -2.049
  196   1HE   LYS  25          1HE       LYS  25  10.180   5.467  -4.470
  197   2HE   LYS  25          2HE       LYS  25   9.960   7.184  -4.086
  198   1HZ   LYS  25          3HZ       LYS  25  12.151   7.174  -3.123
  199   2HZ   LYS  25          1HZ       LYS  25  12.349   5.578  -3.493
  200   3HZ   LYS  25          2HZ       LYS  25  12.200   6.692  -4.698
  201    H    GLU  26           H        GLU  26   6.070   5.935   1.292
  202    HA   GLU  26           HA       GLU  26   6.429   3.558   2.850
  203   1HB   GLU  26          1HB       GLU  26   6.914   5.864   3.670
  204   2HB   GLU  26          2HB       GLU  26   5.178   6.221   3.640
  205   1HG   GLU  26          1HG       GLU  26   5.929   5.653   5.874
  206   2HG   GLU  26          2HG       GLU  26   4.759   4.461   5.326
  207    H    GLU  27           H        GLU  27   3.563   5.382   1.840
  208    HA   GLU  27           HA       GLU  27   1.639   3.716   3.126
  209   1HB   GLU  27          1HB       GLU  27   1.461   5.265   0.537
  210   2HB   GLU  27          2HB       GLU  27   0.075   4.561   1.395
  211   1HG   GLU  27          1HG       GLU  27   0.137   6.062   3.141
  212   2HG   GLU  27          2HG       GLU  27   1.868   6.338   3.028
  213    H    LEU  28           H        LEU  28   3.052   3.416  -0.257
  214    HA   LEU  28           HA       LEU  28   1.923   0.858  -0.739
  215   1HB   LEU  28          1HB       LEU  28   4.424   2.272  -1.705
  216   2HB   LEU  28          2HB       LEU  28   4.133   0.591  -2.176
  217    HG   LEU  28           HG       LEU  28   1.951   2.600  -2.377
  218   1HD1  LEU  28          1HD1      LEU  28   4.155   2.208  -4.419
  219   2HD1  LEU  28          2HD1      LEU  28   2.612   3.034  -4.755
  220   3HD1  LEU  28          3HD1      LEU  28   3.712   3.702  -3.535
  221   1HD2  LEU  28          1HD2      LEU  28   1.428   0.160  -2.804
  222   2HD2  LEU  28          2HD2      LEU  28   1.204   1.120  -4.274
  223   3HD2  LEU  28          3HD2      LEU  28   2.665   0.140  -4.073
  224    H    LYS  29           H        LYS  29   4.884   1.632   1.044
  225    HA   LYS  29           HA       LYS  29   5.750  -1.085   1.203
  226   1HB   LYS  29          1HB       LYS  29   7.055   0.999   1.828
  227   2HB   LYS  29          2HB       LYS  29   6.068   1.175   3.255
  228   1HG   LYS  29          1HG       LYS  29   6.859  -0.948   4.170
  229   2HG   LYS  29          2HG       LYS  29   7.831  -1.251   2.722
  230   1HD   LYS  29          1HD       LYS  29   9.149   0.812   3.176
  231   2HD   LYS  29          2HD       LYS  29   8.141   1.152   4.594
  232   1HE   LYS  29          1HE       LYS  29   8.896  -0.914   5.687
  233   2HE   LYS  29          2HE       LYS  29   9.856  -1.353   4.261
  234   1HZ   LYS  29          1HZ       LYS  29  10.256   1.023   5.941
  235   2HZ   LYS  29          2HZ       LYS  29  11.179  -0.342   5.959
  236   3HZ   LYS  29          3HZ       LYS  29  11.157   0.621   4.621
  237    H    LEU  30           H        LEU  30   3.873   0.830   3.508
  238    HA   LEU  30           HA       LEU  30   3.310  -1.351   5.261
  239   1HB   LEU  30          1HB       LEU  30   1.646   1.140   4.672
  240   2HB   LEU  30          2HB       LEU  30   1.380   0.077   6.063
  241    HG   LEU  30           HG       LEU  30   3.970   1.616   5.568
  242   1HD1  LEU  30          3HD1      LEU  30   2.084   3.154   5.919
  243   2HD1  LEU  30          1HD1      LEU  30   1.625   2.274   7.394
  244   3HD1  LEU  30          2HD1      LEU  30   3.171   3.148   7.316
  245   1HD2  LEU  30          3HD2      LEU  30   2.926   0.107   8.005
  246   2HD2  LEU  30          1HD2      LEU  30   4.321  -0.346   6.999
  247   3HD2  LEU  30          2HD2      LEU  30   4.380   1.127   7.969
  248    H    LEU  31           H        LEU  31   1.442  -0.136   2.523
  249    HA   LEU  31           HA       LEU  31  -0.708  -1.935   2.570
  250   1HB   LEU  31          1HB       LEU  31  -0.340   0.063   1.103
  251   2HB   LEU  31          2HB       LEU  31   0.761  -0.887   0.108
  252    HG   LEU  31           HG       LEU  31  -2.122  -1.597   0.630
  253   1HD1  LEU  31          1HD1      LEU  31  -0.841  -0.089  -1.709
  254   2HD1  LEU  31          2HD1      LEU  31  -2.536  -0.592  -1.667
  255   3HD1  LEU  31          3HD1      LEU  31  -1.948   0.614  -0.513
  256   1HD2  LEU  31          3HD2      LEU  31  -0.070  -2.615  -1.379
  257   2HD2  LEU  31          1HD2      LEU  31  -1.044  -3.539  -0.205
  258   3HD2  LEU  31          2HD2      LEU  31  -1.815  -2.825  -1.617
  259    H    LEU  32           H        LEU  32   2.380  -2.273   0.889
  260    HA   LEU  32           HA       LEU  32   1.997  -4.885  -0.158
  261   1HB   LEU  32          1HB       LEU  32   4.507  -3.349   0.616
  262   2HB   LEU  32          2HB       LEU  32   4.582  -4.943  -0.127
  263    HG   LEU  32           HG       LEU  32   3.050  -2.683  -1.471
  264   1HD1  LEU  32          1HD1      LEU  32   6.001  -3.395  -1.798
  265   2HD1  LEU  32          2HD1      LEU  32   5.090  -2.242  -2.798
  266   3HD1  LEU  32          3HD1      LEU  32   5.376  -1.892  -1.087
  267   1HD2  LEU  32          3HD2      LEU  32   4.420  -5.196  -2.488
  268   2HD2  LEU  32          1HD2      LEU  32   2.662  -4.983  -2.309
  269   3HD2  LEU  32          2HD2      LEU  32   3.555  -4.009  -3.488
  270    H    GLN  33           H        GLN  33   3.697  -3.875   2.836
  271    HA   GLN  33           HA       GLN  33   4.399  -6.434   3.737
  272   1HB   GLN  33          1HB       GLN  33   3.766  -3.856   5.199
  273   2HB   GLN  33          2HB       GLN  33   4.351  -5.306   6.046
  274   1HG   GLN  33          1HG       GLN  33   6.390  -5.360   4.732
  275   2HG   GLN  33          2HG       GLN  33   5.858  -4.009   3.733
  276   1HE2  GLN  33          1HE2      GLN  33   6.249  -2.293   7.311
  277   2HE2  GLN  33          2HE2      GLN  33   4.822  -3.187   6.828
  278    H    THR  34           H        THR  34   1.441  -4.593   4.466
  279    HA   THR  34           HA       THR  34   0.510  -6.697   6.234
  280    HB   THR  34           HB       THR  34  -1.383  -4.718   5.008
  281    HG1  THR  34           HG1      THR  34   0.477  -3.512   5.675
  282   1HG2  THR  34          3HG2      THR  34  -2.195  -6.461   6.613
  283   2HG2  THR  34          1HG2      THR  34  -1.064  -5.838   7.830
  284   3HG2  THR  34          2HG2      THR  34  -2.404  -4.830   7.259
  285    H    GLU  35           H        GLU  35  -0.446  -5.695   2.866
  286    HA   GLU  35           HA       GLU  35  -2.485  -7.806   2.869
  287   1HB   GLU  35          1HB       GLU  35  -1.884  -5.505   0.977
  288   2HB   GLU  35          2HB       GLU  35  -3.280  -6.587   0.910
  289   1HG   GLU  35          1HG       GLU  35  -2.580  -4.583   3.108
  290   2HG   GLU  35          2HG       GLU  35  -3.873  -4.449   1.932
  291    H    PHE  36           H        PHE  36   0.647  -7.176   1.362
  292    HA   PHE  36           HA       PHE  36   0.270  -9.640  -0.292
  293   1HB   PHE  36          1HB       PHE  36   1.329  -7.025  -1.364
  294   2HB   PHE  36          2HB       PHE  36   1.152  -8.550  -2.221
  295    HD1  PHE  36           HD1      PHE  36  -1.138  -9.412  -2.855
  296    HD2  PHE  36           HD2      PHE  36  -0.526  -5.540  -1.081
  297    HE1  PHE  36           HE1      PHE  36  -3.486  -8.760  -3.425
  298    HE2  PHE  36           HE2      PHE  36  -2.918  -4.974  -1.508
  299    HZ   PHE  36           HZ       PHE  36  -4.426  -6.670  -2.487
  300    HA   PRO  37           HA       PRO  37   4.417  -9.749   1.909
  301   1HB   PRO  37          1HB       PRO  37   3.223 -12.527   2.089
  302   2HB   PRO  37          2HB       PRO  37   4.367 -11.733   3.211
  303   1HG   PRO  37          1HG       PRO  37   1.729 -11.819   3.831
  304   2HG   PRO  37          2HG       PRO  37   2.629 -10.287   4.039
  305   1HD   PRO  37          1HD       PRO  37   0.791 -11.064   1.765
  306   2HD   PRO  37          2HD       PRO  37   0.932  -9.531   2.677
  307    H    SER  38           H        SER  38   2.546 -11.464  -0.591
  308    HA   SER  38           HA       SER  38   4.538 -13.081  -1.820
  309   1HB   SER  38          1HB       SER  38   2.831 -12.651  -3.763
  310   2HB   SER  38          2HB       SER  38   2.244 -13.474  -2.303
  311    HG   SER  38           HG       SER  38   0.855 -11.741  -2.899
  312    H    LEU  39           H        LEU  39   3.134  -9.941  -2.672
  313    HA   LEU  39           HA       LEU  39   5.063  -9.195  -4.630
  314   1HB   LEU  39          1HB       LEU  39   3.279  -7.533  -2.841
  315   2HB   LEU  39          2HB       LEU  39   4.249  -6.849  -4.162
  316    HG   LEU  39           HG       LEU  39   2.048  -8.923  -4.512
  317   1HD1  LEU  39          3HD1      LEU  39   1.215  -6.666  -3.839
  318   2HD1  LEU  39          1HD1      LEU  39   2.160  -5.936  -5.143
  319   3HD1  LEU  39          2HD1      LEU  39   0.807  -7.019  -5.522
  320   1HD2  LEU  39          3HD2      LEU  39   3.744  -7.410  -6.549
  321   2HD2  LEU  39          1HD2      LEU  39   3.663  -9.173  -6.326
  322   3HD2  LEU  39          2HD2      LEU  39   2.261  -8.301  -6.943
  323    H    LEU  40           H        LEU  40   4.955  -8.613  -1.133
  324    HA   LEU  40           HA       LEU  40   7.217  -6.938  -0.979
  325   1HB   LEU  40          1HB       LEU  40   5.556  -7.547   0.899
  326   2HB   LEU  40          2HB       LEU  40   6.506  -9.024   1.100
  327    HG   LEU  40           HG       LEU  40   8.565  -7.452   1.382
  328   1HD1  LEU  40          1HD1      LEU  40   6.282  -5.490   1.891
  329   2HD1  LEU  40          2HD1      LEU  40   7.987  -5.216   2.309
  330   3HD1  LEU  40          3HD1      LEU  40   7.505  -5.352   0.613
  331   1HD2  LEU  40          3HD2      LEU  40   6.356  -7.590   3.466
  332   2HD2  LEU  40          1HD2      LEU  40   7.635  -8.785   3.191
  333   3HD2  LEU  40          2HD2      LEU  40   8.054  -7.171   3.786
  334    H    LYS  41           H        LYS  41   7.060 -10.488  -0.825
  335    HA   LYS  41           HA       LYS  41   9.900 -10.938  -0.632
  336   1HB   LYS  41          1HB       LYS  41   7.543 -12.638  -1.530
  337   2HB   LYS  41          2HB       LYS  41   9.191 -13.245  -1.438
  338   1HG   LYS  41          1HG       LYS  41   9.327 -12.850   0.943
  339   2HG   LYS  41          2HG       LYS  41   7.793 -11.966   0.951
  340   1HD   LYS  41          1HD       LYS  41   6.588 -14.010   0.239
  341   2HD   LYS  41          2HD       LYS  41   8.116 -14.920   0.252
  342   1HE   LYS  41          1HE       LYS  41   8.370 -14.436   2.686
  343   2HE   LYS  41          2HE       LYS  41   6.845 -13.525   2.662
  344   1HZ   LYS  41          3HZ       LYS  41   5.728 -15.535   2.028
  345   2HZ   LYS  41          1HZ       LYS  41   7.143 -16.382   2.050
  346   3HZ   LYS  41          2HZ       LYS  41   6.540 -15.747   3.446
  347    H    GLY  42           H        GLY  42   7.615 -10.699  -3.299
  348   1HA   GLY  42          1HA       GLY  42   8.844 -11.430  -5.576
  349   2HA   GLY  42          2HA       GLY  42   7.951  -9.908  -5.440
  350    H    GLY  43           H        GLY  43  10.852 -11.193  -6.345
  351   1HA   GLY  43          1HA       GLY  43  12.812  -9.547  -5.201
  352   2HA   GLY  43          2HA       GLY  43  12.977 -10.483  -6.689
  353    H    SER  44           H        SER  44  11.485  -7.386  -5.531
  354    HA   SER  44           HA       SER  44  13.120  -5.836  -7.365
  355   1HB   SER  44          1HB       SER  44  10.072  -6.051  -7.500
  356   2HB   SER  44          2HB       SER  44  10.965  -4.623  -8.029
  357    HG   SER  44           HG       SER  44  11.805  -7.139  -8.965
  358    H    THR  45           H        THR  45  13.381  -3.727  -6.396
  359    HA   THR  45           HA       THR  45  12.725  -3.679  -3.569
  360    HB   THR  45           HB       THR  45  13.827  -1.518  -3.534
  361    HG1  THR  45           HG1      THR  45  14.685  -0.801  -5.635
  362   1HG2  THR  45          3HG2      THR  45  15.240  -3.572  -3.619
  363   2HG2  THR  45          1HG2      THR  45  15.363  -3.403  -5.381
  364   3HG2  THR  45          2HG2      THR  45  16.038  -2.154  -4.321
  365    H    LEU  46           H        LEU  46  11.548  -1.881  -2.544
  366    HA   LEU  46           HA       LEU  46   8.914  -1.464  -3.515
  367   1HB   LEU  46          1HB       LEU  46  10.535   0.386  -1.714
  368   2HB   LEU  46          2HB       LEU  46   8.774   0.153  -1.687
  369    HG   LEU  46           HG       LEU  46  11.001  -1.703  -0.783
  370   1HD1  LEU  46          3HD1      LEU  46  10.549   0.160   0.722
  371   2HD1  LEU  46          1HD1      LEU  46   8.823  -0.253   0.751
  372   3HD1  LEU  46          2HD1      LEU  46  10.021  -1.363   1.460
  373   1HD2  LEU  46          3HD2      LEU  46   7.971  -2.180  -0.711
  374   2HD2  LEU  46          1HD2      LEU  46   9.128  -3.095  -1.703
  375   3HD2  LEU  46          2HD2      LEU  46   9.183  -3.224   0.061
  376    H    ASP  47           H        ASP  47  11.880   0.427  -3.572
  377    HA   ASP  47           HA       ASP  47  10.936   2.696  -4.921
  378   1HB   ASP  47          1HB       ASP  47  13.701   1.405  -5.007
  379   2HB   ASP  47          2HB       ASP  47  13.325   3.069  -5.471
  380    H    GLU  48           H        GLU  48  12.374  -0.262  -6.320
  381    HA   GLU  48           HA       GLU  48  12.076   0.550  -9.044
  382   1HB   GLU  48          1HB       GLU  48  12.169  -2.174  -7.719
  383   2HB   GLU  48          2HB       GLU  48  11.979  -1.995  -9.466
  384   1HG   GLU  48          1HG       GLU  48  14.061  -0.813  -9.698
  385   2HG   GLU  48          2HG       GLU  48  14.303  -0.736  -7.953
  386    H    LEU  49           H        LEU  49   9.849  -1.288  -6.941
  387    HA   LEU  49           HA       LEU  49   7.826  -1.602  -8.949
  388   1HB   LEU  49          1HB       LEU  49   7.613  -1.422  -5.915
  389   2HB   LEU  49          2HB       LEU  49   6.268  -1.880  -6.962
  390    HG   LEU  49           HG       LEU  49   8.904  -3.418  -6.885
  391   1HD1  LEU  49          3HD1      LEU  49   7.855  -3.460  -4.660
  392   2HD1  LEU  49          1HD1      LEU  49   6.313  -3.973  -5.383
  393   3HD1  LEU  49          2HD1      LEU  49   7.733  -5.040  -5.448
  394   1HD2  LEU  49          3HD2      LEU  49   6.135  -4.118  -7.962
  395   2HD2  LEU  49          1HD2      LEU  49   7.595  -3.827  -8.932
  396   3HD2  LEU  49          2HD2      LEU  49   7.512  -5.233  -7.868
  397    H    PHE  50           H        PHE  50   8.318   0.911  -6.513
  398    HA   PHE  50           HA       PHE  50   6.053   2.495  -7.086
  399   1HB   PHE  50          1HB       PHE  50   7.571   2.725  -5.109
  400   2HB   PHE  50          2HB       PHE  50   8.849   3.327  -6.151
  401    HD1  PHE  50           HD2      PHE  50   5.662   4.107  -4.509
  402    HD2  PHE  50           HD1      PHE  50   8.722   5.649  -7.117
  403    HE1  PHE  50           HE2      PHE  50   5.095   6.376  -3.797
  404    HE2  PHE  50           HE1      PHE  50   8.067   7.962  -6.481
  405    HZ   PHE  50           HZ       PHE  50   6.346   8.335  -4.755
  406    H    GLU  51           H        GLU  51   9.398   2.737  -8.399
  407    HA   GLU  51           HA       GLU  51   8.851   4.872 -10.166
  408   1HB   GLU  51          1HB       GLU  51  11.118   4.029  -9.473
  409   2HB   GLU  51          2HB       GLU  51  10.862   2.590 -10.477
  410   1HG   GLU  51          1HG       GLU  51  10.725   4.032 -12.499
  411   2HG   GLU  51          2HG       GLU  51  10.917   5.473 -11.485
  412    H    GLU  52           H        GLU  52   8.659   1.364 -10.644
  413    HA   GLU  52           HA       GLU  52   8.005   1.387 -13.381
  414   1HB   GLU  52          1HB       GLU  52   8.643  -0.596 -11.972
  415   2HB   GLU  52          2HB       GLU  52   7.003  -0.628 -11.321
  416   1HG   GLU  52          1HG       GLU  52   7.725  -0.866 -14.286
  417   2HG   GLU  52          2HG       GLU  52   7.473  -2.241 -13.206
  418    H    LEU  53           H        LEU  53   5.878   1.602 -10.527
  419    HA   LEU  53           HA       LEU  53   3.455   1.670 -12.137
  420   1HB   LEU  53          1HB       LEU  53   4.032   2.271  -9.219
  421   2HB   LEU  53          2HB       LEU  53   2.433   2.194  -9.959
  422    HG   LEU  53           HG       LEU  53   4.377  -0.158  -9.927
  423   1HD1  LEU  53          3HD1      LEU  53   3.711   0.534  -7.639
  424   2HD1  LEU  53          1HD1      LEU  53   2.000   0.422  -8.114
  425   3HD1  LEU  53          2HD1      LEU  53   3.022  -1.032  -8.085
  426   1HD2  LEU  53          3HD2      LEU  53   1.397  -0.053 -10.539
  427   2HD2  LEU  53          1HD2      LEU  53   2.697  -0.308 -11.724
  428   3HD2  LEU  53          2HD2      LEU  53   2.426  -1.508 -10.476
  429    H    ASP  54           H        ASP  54   5.417   4.081 -10.523
  430    HA   ASP  54           HA       ASP  54   3.752   6.398 -10.893
  431   1HB   ASP  54          1HB       ASP  54   5.476   6.230  -9.204
  432   2HB   ASP  54          2HB       ASP  54   6.704   5.936 -10.418
  433    H    LYS  55           H        LYS  55   3.170   5.826 -13.185
  434    HA   LYS  55           HA       LYS  55   4.994   5.490 -15.215
  435   1HB   LYS  55          1HB       LYS  55   2.321   6.744 -15.687
  436   2HB   LYS  55          2HB       LYS  55   3.391   5.926 -16.838
  437   1HG   LYS  55          1HG       LYS  55   1.913   4.760 -14.489
  438   2HG   LYS  55          2HG       LYS  55   1.626   4.405 -16.191
  439   1HD   LYS  55          1HD       LYS  55   4.046   3.587 -14.530
  440   2HD   LYS  55          2HD       LYS  55   2.711   2.550 -14.986
  441   1HE   LYS  55          1HE       LYS  55   3.315   2.840 -17.402
  442   2HE   LYS  55          2HE       LYS  55   4.706   3.825 -16.907
  443   1HZ   LYS  55          3HZ       LYS  55   5.431   1.916 -15.587
  444   2HZ   LYS  55          1HZ       LYS  55   4.232   1.009 -16.237
  445   3HZ   LYS  55          2HZ       LYS  55   5.412   1.615 -17.215
  446    H    ASN  56           H        ASN  56   6.618   6.824 -15.161
  447    HA   ASN  56           HA       ASN  56   7.837   8.174 -16.591
  448   1HB   ASN  56          1HB       ASN  56   7.056   9.604 -18.054
  449   2HB   ASN  56          2HB       ASN  56   5.466   9.004 -17.660
  450   1HD2  ASN  56          1HD2      ASN  56   4.805  12.071 -15.651
  451   2HD2  ASN  56          2HD2      ASN  56   4.618  10.312 -15.551
  452    H    GLY  57           H        GLY  57   6.936   8.376 -13.531
  453   1HA   GLY  57          1HA       GLY  57   8.139   9.311 -11.794
  454   2HA   GLY  57          2HA       GLY  57   9.121  10.207 -12.937
  455    H    ASP  58           H        ASP  58   5.556  10.180 -12.141
  456    HA   ASP  58           HA       ASP  58   5.513  13.115 -12.129
  457   1HB   ASP  58          1HB       ASP  58   3.170  12.812 -11.551
  458   2HB   ASP  58          2HB       ASP  58   3.603  12.021 -13.065
  459    H    GLY  59           H        GLY  59   5.047  10.397  -9.752
  460   1HA   GLY  59          1HA       GLY  59   6.991  11.023  -8.015
  461   2HA   GLY  59          2HA       GLY  59   5.690  12.111  -7.469
  462    H    GLU  60           H        GLU  60   3.590  11.050  -7.083
  463    HA   GLU  60           HA       GLU  60   4.093   8.500  -5.574
  464   1HB   GLU  60          1HB       GLU  60   2.178  10.797  -5.025
  465   2HB   GLU  60          2HB       GLU  60   2.214   9.270  -4.125
  466   1HG   GLU  60          1HG       GLU  60   4.669   9.747  -3.640
  467   2HG   GLU  60          2HG       GLU  60   4.412  11.366  -4.313
  468    H    VAL  61           H        VAL  61   2.400   6.910  -5.527
  469    HA   VAL  61           HA       VAL  61   1.688   6.570  -8.339
  470    HB   VAL  61           HB       VAL  61   1.330   4.511  -6.155
  471   1HG1  VAL  61          3HG1      VAL  61   0.391   4.107  -8.473
  472   2HG1  VAL  61          1HG1      VAL  61   2.045   4.330  -9.113
  473   3HG1  VAL  61          2HG1      VAL  61   1.673   2.980  -8.004
  474   1HG2  VAL  61          3HG2      VAL  61   3.861   5.289  -7.680
  475   2HG2  VAL  61          1HG2      VAL  61   3.635   5.242  -5.918
  476   3HG2  VAL  61          2HG2      VAL  61   3.649   3.740  -6.846
  477    H    SER  62           H        SER  62  -0.186   7.380  -9.034
  478    HA   SER  62           HA       SER  62  -2.483   7.779  -7.353
  479   1HB   SER  62          1HB       SER  62  -2.502   7.985 -10.364
  480   2HB   SER  62          2HB       SER  62  -3.414   8.903  -9.159
  481    HG   SER  62           HG       SER  62  -0.643   9.065  -9.798
  482    H    PHE  63           H        PHE  63  -4.606   6.784  -7.556
  483    HA   PHE  63           HA       PHE  63  -4.522   4.035  -7.637
  484   1HB   PHE  63          1HB       PHE  63  -6.355   5.283  -6.599
  485   2HB   PHE  63          2HB       PHE  63  -6.994   5.703  -8.190
  486    HD1  PHE  63           HD1      PHE  63  -6.009   2.741  -6.106
  487    HD2  PHE  63           HD2      PHE  63  -8.505   4.162  -9.310
  488    HE1  PHE  63           HE1      PHE  63  -7.134   0.545  -6.195
  489    HE2  PHE  63           HE2      PHE  63  -9.579   1.933  -9.446
  490    HZ   PHE  63           HZ       PHE  63  -8.891   0.111  -7.875
  491    H    GLU  64           H        GLU  64  -5.290   6.112 -10.415
  492    HA   GLU  64           HA       GLU  64  -6.152   3.992 -12.094
  493   1HB   GLU  64          1HB       GLU  64  -6.542   6.402 -12.578
  494   2HB   GLU  64          2HB       GLU  64  -4.815   6.626 -12.908
  495   1HG   GLU  64          1HG       GLU  64  -6.080   6.393 -14.990
  496   2HG   GLU  64          2HG       GLU  64  -4.982   5.022 -14.810
  497    H    GLU  65           H        GLU  65  -2.903   5.597 -12.018
  498    HA   GLU  65           HA       GLU  65  -1.700   3.681 -13.736
  499   1HB   GLU  65          1HB       GLU  65   0.440   4.525 -12.907
  500   2HB   GLU  65          2HB       GLU  65  -0.659   5.791 -13.476
  501   1HG   GLU  65          1HG       GLU  65  -1.257   6.222 -11.054
  502   2HG   GLU  65          2HG       GLU  65   0.022   5.089 -10.589
  503    H    PHE  66           H        PHE  66  -2.117   3.666 -10.202
  504    HA   PHE  66           HA       PHE  66  -0.618   1.377  -9.525
  505   1HB   PHE  66          1HB       PHE  66  -1.587   2.707  -7.801
  506   2HB   PHE  66          2HB       PHE  66  -3.146   2.617  -8.570
  507    HD1  PHE  66           HD1      PHE  66  -0.737   0.508  -6.606
  508    HD2  PHE  66           HD2      PHE  66  -4.739   1.080  -8.053
  509    HE1  PHE  66           HE1      PHE  66  -1.555  -1.248  -5.055
  510    HE2  PHE  66           HE2      PHE  66  -5.508  -0.883  -6.774
  511    HZ   PHE  66           HZ       PHE  66  -3.962  -1.891  -5.051
  512    H    GLN  67           H        GLN  67  -3.666   1.535 -11.400
  513    HA   GLN  67           HA       GLN  67  -4.367  -1.171 -11.151
  514   1HB   GLN  67          1HB       GLN  67  -4.628   0.486 -13.690
  515   2HB   GLN  67          2HB       GLN  67  -5.400  -1.061 -13.360
  516   1HG   GLN  67          1HG       GLN  67  -6.041   1.597 -12.076
  517   2HG   GLN  67          2HG       GLN  67  -7.084   0.516 -12.985
  518   1HE2  GLN  67          1HE2      GLN  67  -6.513   0.076  -8.951
  519   2HE2  GLN  67          2HE2      GLN  67  -5.791   1.361  -9.905
  520    H    VAL  68           H        VAL  68  -1.594   0.156 -12.833
  521    HA   VAL  68           HA       VAL  68  -0.944  -2.082 -14.461
  522    HB   VAL  68           HB       VAL  68   0.790  -0.019 -13.066
  523   1HG1  VAL  68          1HG1      VAL  68   1.587  -1.971 -15.265
  524   2HG1  VAL  68          2HG1      VAL  68   2.554  -0.601 -14.691
  525   3HG1  VAL  68          3HG1      VAL  68   2.222  -1.950 -13.606
  526   1HG2  VAL  68          1HG2      VAL  68  -0.815   0.875 -14.784
  527   2HG2  VAL  68          2HG2      VAL  68   0.864   1.019 -15.313
  528   3HG2  VAL  68          3HG2      VAL  68  -0.160  -0.275 -15.961
  529    H    LEU  69           H        LEU  69  -0.699  -1.583 -10.960
  530    HA   LEU  69           HA       LEU  69   0.777  -4.088 -10.545
  531   1HB   LEU  69          1HB       LEU  69   0.844  -2.028  -8.965
  532   2HB   LEU  69          2HB       LEU  69  -0.807  -2.439  -8.525
  533    HG   LEU  69           HG       LEU  69   0.067  -4.751  -7.856
  534   1HD1  LEU  69          1HD1      LEU  69   2.744  -3.309  -8.050
  535   2HD1  LEU  69          2HD1      LEU  69   2.468  -4.874  -7.270
  536   3HD1  LEU  69          3HD1      LEU  69   2.255  -4.718  -9.016
  537   1HD2  LEU  69          3HD2      LEU  69   1.059  -2.266  -6.394
  538   2HD2  LEU  69          1HD2      LEU  69  -0.536  -3.036  -6.229
  539   3HD2  LEU  69          2HD2      LEU  69   0.914  -3.886  -5.678
  540    H    VAL  70           H        VAL  70  -2.562  -2.836 -10.087
  541    HA   VAL  70           HA       VAL  70  -3.726  -5.093  -8.986
  542    HB   VAL  70           HB       VAL  70  -4.977  -3.192 -11.013
  543   1HG1  VAL  70          1HG1      VAL  70  -6.331  -5.202  -9.208
  544   2HG1  VAL  70          2HG1      VAL  70  -7.150  -3.825  -9.973
  545   3HG1  VAL  70          3HG1      VAL  70  -6.416  -5.078 -10.970
  546   1HG2  VAL  70          3HG2      VAL  70  -4.927  -3.211  -7.953
  547   2HG2  VAL  70          1HG2      VAL  70  -4.144  -2.024  -8.999
  548   3HG2  VAL  70          2HG2      VAL  70  -5.910  -2.116  -8.934
  549    H    LYS  71           H        LYS  71  -3.237  -4.496 -12.505
  550    HA   LYS  71           HA       LYS  71  -4.562  -6.861 -13.279
  551   1HB   LYS  71          1HB       LYS  71  -3.470  -6.673 -15.413
  552   2HB   LYS  71          2HB       LYS  71  -4.037  -5.092 -14.834
  553   1HG   LYS  71          1HG       LYS  71  -1.685  -4.600 -14.105
  554   2HG   LYS  71          2HG       LYS  71  -1.178  -6.119 -14.872
  555   1HD   LYS  71          1HD       LYS  71  -2.235  -5.234 -17.032
  556   2HD   LYS  71          2HD       LYS  71  -2.409  -3.676 -16.198
  557   1HE   LYS  71          1HE       LYS  71   0.109  -3.776 -15.736
  558   2HE   LYS  71          2HE       LYS  71   0.176  -5.203 -16.780
  559   1HZ   LYS  71          3HZ       LYS  71  -0.676  -3.863 -18.564
  560   2HZ   LYS  71          1HZ       LYS  71  -0.738  -2.533 -17.591
  561   3HZ   LYS  71          2HZ       LYS  71   0.714  -3.216 -17.963
  562    H    LYS  72           H        LYS  72  -1.214  -6.435 -12.263
  563    HA   LYS  72           HA       LYS  72  -0.386  -9.181 -12.782
  564   1HB   LYS  72          1HB       LYS  72   0.749  -6.910 -11.136
  565   2HB   LYS  72          2HB       LYS  72   1.245  -8.560 -10.787
  566   1HG   LYS  72          1HG       LYS  72   2.813  -7.509 -12.272
  567   2HG   LYS  72          2HG       LYS  72   2.042  -8.905 -13.043
  568   1HD   LYS  72          1HD       LYS  72   0.632  -7.459 -14.396
  569   2HD   LYS  72          2HD       LYS  72   1.117  -6.030 -13.461
  570   1HE   LYS  72          1HE       LYS  72   2.279  -6.060 -15.616
  571   2HE   LYS  72          2HE       LYS  72   3.434  -6.238 -14.290
  572   1HZ   LYS  72          1HZ       LYS  72   2.367  -8.432 -15.932
  573   2HZ   LYS  72          2HZ       LYS  72   3.863  -7.758 -16.080
  574   3HZ   LYS  72          3HZ       LYS  72   3.467  -8.588 -14.714
  575    H    ILE  73           H        ILE  73  -1.778  -7.483  -9.993
  576    HA   ILE  73           HA       ILE  73  -1.659  -9.733  -8.238
  577    HB   ILE  73           HB       ILE  73  -3.627  -7.413  -8.135
  578   1HG1  ILE  73          1HG1      ILE  73  -0.896  -7.862  -6.845
  579   2HG1  ILE  73          2HG1      ILE  73  -1.290  -6.674  -8.094
  580   1HG2  ILE  73          3HG2      ILE  73  -4.364  -9.361  -6.760
  581   2HG2  ILE  73          1HG2      ILE  73  -2.775  -9.394  -5.973
  582   3HG2  ILE  73          2HG2      ILE  73  -3.879  -8.020  -5.754
  583   1HD1  ILE  73          3HD1      ILE  73  -2.859  -5.550  -6.527
  584   2HD1  ILE  73          1HD1      ILE  73  -2.266  -6.623  -5.227
  585   3HD1  ILE  73          2HD1      ILE  73  -1.163  -5.509  -6.016
  586    H    SER  74           H        SER  74  -4.377  -8.581 -10.217
  587    HA   SER  74           HA       SER  74  -5.488 -11.284 -10.503
  588   1HB   SER  74          1HB       SER  74  -6.962  -9.194  -8.850
  589   2HB   SER  74          2HB       SER  74  -7.623 -10.752  -9.362
  590    HG   SER  74           HG       SER  74  -5.341 -11.276  -8.142
  591    H    GLN  75           H        GLN  75  -4.645  -9.766 -12.554
  592    HA   GLN  75           HA       GLN  75  -5.287  -8.713 -14.471
  593   1HB   GLN  75          1HB       GLN  75  -6.687 -10.111 -15.790
  594   2HB   GLN  75          2HB       GLN  75  -5.614 -11.089 -14.803
  595   1HG   GLN  75          1HG       GLN  75  -7.317 -12.154 -13.770
  596   2HG   GLN  75          2HG       GLN  75  -8.199 -10.664 -13.436
  597   1HE2  GLN  75          1HE2      GLN  75 -10.021 -10.670 -16.557
  598   2HE2  GLN  75          2HE2      GLN  75  -9.101  -9.562 -15.531
   
  No H/Q in entry =         598
  Start of MODEL          14
 Raw file had  599 H/Q atoms
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -9.446 -11.015  -5.751
    2   2H    LYS   1          2H        LYS   1  -8.051 -10.095  -5.937
    3   3H    LYS   1          3H        LYS   1  -8.346 -10.890  -4.485
    4    HA   LYS   1           HA       LYS   1 -10.265  -9.546  -4.089
    5   1HB   LYS   1          1HB       LYS   1  -7.767  -7.948  -4.800
    6   2HB   LYS   1          2HB       LYS   1  -9.037  -7.422  -3.693
    7   1HG   LYS   1          1HG       LYS   1  -7.109  -9.754  -3.288
    8   2HG   LYS   1          2HG       LYS   1  -7.082  -8.180  -2.472
    9   1HD   LYS   1          1HD       LYS   1  -9.410  -8.723  -1.568
   10   2HD   LYS   1          2HD       LYS   1  -9.178 -10.373  -2.186
   11   1HE   LYS   1          1HE       LYS   1  -7.122 -10.595  -0.801
   12   2HE   LYS   1          2HE       LYS   1  -7.354  -8.944  -0.190
   13   1HZ   LYS   1          1HZ       LYS   1  -9.218 -11.178   0.193
   14   2HZ   LYS   1          2HZ       LYS   1  -8.186 -10.566   1.324
   15   3HZ   LYS   1          3HZ       LYS   1  -9.425  -9.641   0.755
   16    H    SER   2           H        SER   2 -11.654  -7.782  -4.822
   17    HA   SER   2           HA       SER   2 -11.813  -7.555  -7.735
   18   1HB   SER   2          1HB       SER   2 -13.867  -6.305  -7.252
   19   2HB   SER   2          2HB       SER   2 -13.842  -7.843  -6.383
   20    HG   SER   2           HG       SER   2 -14.457  -6.201  -4.967
   21    HA   PRO   3           HA       PRO   3  -9.616  -3.609  -7.985
   22   1HB   PRO   3          1HB       PRO   3 -12.125  -2.738  -9.459
   23   2HB   PRO   3          2HB       PRO   3 -10.419  -2.375  -9.861
   24   1HG   PRO   3          1HG       PRO   3 -11.704  -4.360 -11.181
   25   2HG   PRO   3          2HG       PRO   3 -10.046  -4.642 -10.570
   26   1HD   PRO   3          1HD       PRO   3 -12.661  -5.536  -9.343
   27   2HD   PRO   3          2HD       PRO   3 -11.127  -6.433  -9.541
   28    H    GLU   4           H        GLU   4 -13.119  -3.614  -7.177
   29    HA   GLU   4           HA       GLU   4 -13.231  -1.177  -5.752
   30   1HB   GLU   4          1HB       GLU   4 -14.890  -3.672  -5.356
   31   2HB   GLU   4          2HB       GLU   4 -15.233  -2.039  -4.767
   32   1HG   GLU   4          1HG       GLU   4 -16.302  -1.711  -6.694
   33   2HG   GLU   4          2HG       GLU   4 -14.739  -1.505  -7.443
   34    H    GLU   5           H        GLU   5 -12.541  -4.492  -4.617
   35    HA   GLU   5           HA       GLU   5 -12.316  -3.775  -1.833
   36   1HB   GLU   5          1HB       GLU   5 -12.669  -6.088  -2.832
   37   2HB   GLU   5          2HB       GLU   5 -10.946  -6.118  -3.218
   38   1HG   GLU   5          1HG       GLU   5 -12.185  -5.759  -0.436
   39   2HG   GLU   5          2HG       GLU   5 -11.612  -7.295  -1.091
   40    H    LEU   6           H        LEU   6 -10.026  -4.095  -4.513
   41    HA   LEU   6           HA       LEU   6  -7.670  -3.298  -3.103
   42   1HB   LEU   6          1HB       LEU   6  -8.449  -3.172  -6.033
   43   2HB   LEU   6          2HB       LEU   6  -6.878  -2.739  -5.399
   44    HG   LEU   6           HG       LEU   6  -8.221  -5.483  -5.401
   45   1HD1  LEU   6          3HD1      LEU   6  -6.810  -4.651  -7.359
   46   2HD1  LEU   6          1HD1      LEU   6  -5.424  -4.689  -6.217
   47   3HD1  LEU   6          2HD1      LEU   6  -6.283  -6.186  -6.623
   48   1HD2  LEU   6          3HD2      LEU   6  -5.756  -4.634  -3.833
   49   2HD2  LEU   6          1HD2      LEU   6  -7.232  -5.419  -3.191
   50   3HD2  LEU   6          2HD2      LEU   6  -6.149  -6.313  -4.253
   51    H    LYS   7           H        LYS   7 -10.104  -1.308  -4.789
   52    HA   LYS   7           HA       LYS   7  -8.808   1.154  -4.248
   53   1HB   LYS   7          1HB       LYS   7 -10.874   0.886  -5.652
   54   2HB   LYS   7          2HB       LYS   7 -11.820   0.626  -4.207
   55   1HG   LYS   7          1HG       LYS   7 -12.065   2.909  -5.014
   56   2HG   LYS   7          2HG       LYS   7 -11.421   2.848  -3.373
   57   1HD   LYS   7          1HD       LYS   7  -9.156   3.361  -4.192
   58   2HD   LYS   7          2HD       LYS   7  -9.724   3.244  -5.869
   59   1HE   LYS   7          1HE       LYS   7 -11.189   5.194  -5.535
   60   2HE   LYS   7          2HE       LYS   7 -10.699   5.296  -3.834
   61   1HZ   LYS   7          1HZ       LYS   7  -8.905   5.588  -6.132
   62   2HZ   LYS   7          2HZ       LYS   7  -9.495   6.826  -5.215
   63   3HZ   LYS   7          3HZ       LYS   7  -8.476   5.714  -4.546
   64    H    GLY   8           H        GLY   8 -11.047  -0.754  -2.298
   65   1HA   GLY   8          1HA       GLY   8 -11.261   0.869   0.011
   66   2HA   GLY   8          2HA       GLY   8 -11.301  -0.905   0.020
   67    H    ILE   9           H        ILE   9  -8.917  -1.737  -0.629
   68    HA   ILE   9           HA       ILE   9  -7.149  -1.437   1.566
   69    HB   ILE   9           HB       ILE   9  -6.740  -2.358  -1.273
   70   1HG1  ILE   9          1HG1      ILE   9  -8.356  -3.464   0.434
   71   2HG1  ILE   9          2HG1      ILE   9  -7.263  -4.465  -0.534
   72   1HG2  ILE   9          1HG2      ILE   9  -4.801  -2.528   1.040
   73   2HG2  ILE   9          2HG2      ILE   9  -4.704  -3.533  -0.428
   74   3HG2  ILE   9          3HG2      ILE   9  -4.548  -1.778  -0.543
   75   1HD1  ILE   9          1HD1      ILE   9  -6.708  -3.610   2.345
   76   2HD1  ILE   9          2HD1      ILE   9  -7.440  -5.151   1.862
   77   3HD1  ILE   9          3HD1      ILE   9  -5.791  -4.779   1.357
   78    H    PHE  10           H        PHE  10  -6.906  -0.038  -1.735
   79    HA   PHE  10           HA       PHE  10  -4.565   1.418  -1.423
   80   1HB   PHE  10          1HB       PHE  10  -5.844   0.961  -3.544
   81   2HB   PHE  10          2HB       PHE  10  -7.034   2.135  -3.051
   82    HD1  PHE  10           HD1      PHE  10  -6.301   4.553  -2.633
   83    HD2  PHE  10           HD2      PHE  10  -3.803   1.647  -4.621
   84    HE1  PHE  10           HE1      PHE  10  -4.708   6.289  -3.247
   85    HE2  PHE  10           HE2      PHE  10  -2.473   3.504  -5.611
   86    HZ   PHE  10           HZ       PHE  10  -2.990   5.835  -5.029
   87    H    GLU  11           H        GLU  11  -7.936   2.409  -0.726
   88    HA   GLU  11           HA       GLU  11  -7.299   5.080   0.124
   89   1HB   GLU  11          1HB       GLU  11  -9.707   3.284   0.598
   90   2HB   GLU  11          2HB       GLU  11  -9.595   4.950   1.188
   91   1HG   GLU  11          1HG       GLU  11  -9.281   5.803  -1.087
   92   2HG   GLU  11          2HG       GLU  11  -9.320   4.168  -1.749
   93    H    LYS  12           H        LYS  12  -7.882   2.028   1.951
   94    HA   LYS  12           HA       LYS  12  -7.604   2.917   4.566
   95   1HB   LYS  12          1HB       LYS  12  -8.152   0.666   4.225
   96   2HB   LYS  12          2HB       LYS  12  -6.772   0.351   3.180
   97   1HG   LYS  12          1HG       LYS  12  -5.199   0.416   4.953
   98   2HG   LYS  12          2HG       LYS  12  -6.459   0.909   6.128
   99   1HD   LYS  12          1HD       LYS  12  -7.669  -1.258   5.594
  100   2HD   LYS  12          2HD       LYS  12  -6.315  -1.698   4.538
  101   1HE   LYS  12          1HE       LYS  12  -4.789  -1.441   6.585
  102   2HE   LYS  12          2HE       LYS  12  -6.253  -1.262   7.560
  103   1HZ   LYS  12          3HZ       LYS  12  -6.940  -3.427   6.800
  104   2HZ   LYS  12          1HZ       LYS  12  -5.572  -3.591   5.894
  105   3HZ   LYS  12          2HZ       LYS  12  -5.468  -3.506   7.535
  106    H    TYR  13           H        TYR  13  -4.927   2.018   2.344
  107    HA   TYR  13           HA       TYR  13  -2.956   2.878   4.346
  108   1HB   TYR  13          1HB       TYR  13  -2.674   1.787   1.562
  109   2HB   TYR  13          2HB       TYR  13  -1.317   2.254   2.590
  110    HD1  TYR  13           HD1      TYR  13  -1.085   1.203   4.884
  111    HD2  TYR  13           HD2      TYR  13  -3.988  -0.242   2.114
  112    HE1  TYR  13           HE1      TYR  13  -1.235  -0.957   6.141
  113    HE2  TYR  13           HE2      TYR  13  -4.146  -2.369   3.272
  114    HH   TYR  13           HH       TYR  13  -3.473  -3.567   5.171
  115    H    ALA  14           H        ALA  14  -4.239   4.259   1.335
  116    HA   ALA  14           HA       ALA  14  -2.302   6.386   1.180
  117   1HB   ALA  14          3HB       ALA  14  -3.616   5.582  -0.772
  118   2HB   ALA  14          1HB       ALA  14  -5.087   6.236  -0.035
  119   3HB   ALA  14          2HB       ALA  14  -3.766   7.322  -0.517
  120    H    ALA  15           H        ALA  15  -5.650   6.341   2.337
  121    HA   ALA  15           HA       ALA  15  -5.902   9.073   2.976
  122   1HB   ALA  15          3HB       ALA  15  -7.785   7.429   2.894
  123   2HB   ALA  15          1HB       ALA  15  -7.173   6.704   4.406
  124   3HB   ALA  15          2HB       ALA  15  -7.766   8.373   4.400
  125    H    LYS  16           H        LYS  16  -4.039   6.600   4.579
  126    HA   LYS  16           HA       LYS  16  -4.111   7.466   7.231
  127   1HB   LYS  16          1HB       LYS  16  -3.183   5.345   6.217
  128   2HB   LYS  16          2HB       LYS  16  -1.735   6.262   5.753
  129   1HG   LYS  16          1HG       LYS  16  -1.334   6.800   8.149
  130   2HG   LYS  16          2HG       LYS  16  -2.767   5.866   8.602
  131   1HD   LYS  16          1HD       LYS  16  -0.304   4.756   7.164
  132   2HD   LYS  16          2HD       LYS  16  -0.628   4.616   8.900
  133   1HE   LYS  16          1HE       LYS  16  -2.746   3.360   8.372
  134   2HE   LYS  16          2HE       LYS  16  -2.306   3.391   6.655
  135   1HZ   LYS  16          1HZ       LYS  16  -0.718   2.159   8.779
  136   2HZ   LYS  16          2HZ       LYS  16  -1.657   1.371   7.677
  137   3HZ   LYS  16          3HZ       LYS  16  -0.327   2.205   7.177
  138    H    GLU  17           H        GLU  17  -2.429   8.809   4.411
  139    HA   GLU  17           HA       GLU  17  -1.789  11.187   5.947
  140   1HB   GLU  17          1HB       GLU  17   0.174   9.625   6.416
  141   2HB   GLU  17          2HB       GLU  17   0.538   9.667   4.687
  142   1HG   GLU  17          1HG       GLU  17   1.974  11.231   5.811
  143   2HG   GLU  17          2HG       GLU  17   0.818  12.171   4.863
  144    H    GLY  18           H        GLY  18  -1.414   9.413   2.903
  145   1HA   GLY  18          1HA       GLY  18  -1.028  11.819   1.276
  146   2HA   GLY  18          2HA       GLY  18  -1.253  10.150   0.720
  147    H    ASP  19           H        ASP  19  -2.563  11.892  -0.746
  148    HA   ASP  19           HA       ASP  19  -5.278  12.421   0.106
  149   1HB   ASP  19          1HB       ASP  19  -4.251  13.584  -1.827
  150   2HB   ASP  19          2HB       ASP  19  -4.078  12.043  -2.683
  151    HA   PRO  20           HA       PRO  20  -6.594   8.164   0.181
  152   1HB   PRO  20          1HB       PRO  20  -9.175   8.381  -0.963
  153   2HB   PRO  20          2HB       PRO  20  -8.733   8.552   0.761
  154   1HG   PRO  20          1HG       PRO  20  -9.086  10.704  -1.327
  155   2HG   PRO  20          2HG       PRO  20  -9.641  10.718   0.374
  156   1HD   PRO  20          1HD       PRO  20  -7.444  12.055  -0.327
  157   2HD   PRO  20          2HD       PRO  20  -7.397  11.079   1.163
  158    H    ASN  21           H        ASN  21  -6.660   9.924  -2.897
  159    HA   ASN  21           HA       ASN  21  -6.936   7.471  -4.501
  160   1HB   ASN  21          1HB       ASN  21  -6.646  10.390  -5.261
  161   2HB   ASN  21          2HB       ASN  21  -7.071   9.061  -6.337
  162   1HD2  ASN  21          1HD2      ASN  21  -9.929  10.812  -4.034
  163   2HD2  ASN  21          2HD2      ASN  21  -8.238  11.294  -3.928
  164    H    GLN  22           H        GLN  22  -4.316   8.983  -2.992
  165    HA   GLN  22           HA       GLN  22  -2.434   7.952  -5.024
  166   1HB   GLN  22          1HB       GLN  22  -2.876  10.296  -5.544
  167   2HB   GLN  22          2HB       GLN  22  -2.347  10.765  -3.917
  168   1HG   GLN  22          1HG       GLN  22  -0.115  10.036  -4.352
  169   2HG   GLN  22          2HG       GLN  22  -0.570   9.203  -5.852
  170   1HE2  GLN  22          1HE2      GLN  22  -0.602  12.184  -7.830
  171   2HE2  GLN  22          2HE2      GLN  22  -1.173  10.527  -7.779
  172    H    LEU  23           H        LEU  23  -1.027   6.579  -4.118
  173    HA   LEU  23           HA       LEU  23  -0.616   6.583  -1.196
  174   1HB   LEU  23          1HB       LEU  23   0.166   4.702  -3.445
  175   2HB   LEU  23          2HB       LEU  23   0.712   4.542  -1.787
  176    HG   LEU  23           HG       LEU  23  -2.238   4.568  -2.379
  177   1HD1  LEU  23          3HD1      LEU  23  -1.094   2.773  -3.739
  178   2HD1  LEU  23          1HD1      LEU  23  -0.390   2.153  -2.238
  179   3HD1  LEU  23          2HD1      LEU  23  -2.150   2.123  -2.463
  180   1HD2  LEU  23          1HD2      LEU  23  -1.373   4.809  -0.005
  181   2HD2  LEU  23          2HD2      LEU  23  -2.358   3.358  -0.268
  182   3HD2  LEU  23          3HD2      LEU  23  -0.591   3.233  -0.174
  183    H    SER  24           H        SER  24   1.284   7.223  -0.286
  184    HA   SER  24           HA       SER  24   3.577   8.079  -1.914
  185   1HB   SER  24          1HB       SER  24   4.634   8.502   0.256
  186   2HB   SER  24          2HB       SER  24   3.002   9.188   0.252
  187    HG   SER  24           HG       SER  24   2.295   7.496   1.464
  188    H    LYS  25           H        LYS  25   5.761   7.056  -1.397
  189    HA   LYS  25           HA       LYS  25   5.764   4.309  -2.008
  190   1HB   LYS  25          1HB       LYS  25   7.594   6.176  -2.225
  191   2HB   LYS  25          2HB       LYS  25   8.076   5.661  -0.604
  192   1HG   LYS  25          1HG       LYS  25   8.139   3.275  -1.555
  193   2HG   LYS  25          2HG       LYS  25   7.967   3.957  -3.147
  194   1HD   LYS  25          1HD       LYS  25  10.219   4.911  -1.344
  195   2HD   LYS  25          2HD       LYS  25  10.347   3.406  -2.249
  196   1HE   LYS  25          1HE       LYS  25  11.406   5.170  -3.507
  197   2HE   LYS  25          2HE       LYS  25   9.992   4.580  -4.392
  198   1HZ   LYS  25          1HZ       LYS  25  10.016   7.001  -2.738
  199   2HZ   LYS  25          2HZ       LYS  25  10.223   6.968  -4.374
  200   3HZ   LYS  25          3HZ       LYS  25   8.801   6.471  -3.727
  201    H    GLU  26           H        GLU  26   5.900   5.991   1.121
  202    HA   GLU  26           HA       GLU  26   6.533   3.638   2.660
  203   1HB   GLU  26          1HB       GLU  26   5.144   6.218   3.591
  204   2HB   GLU  26          2HB       GLU  26   5.986   5.024   4.594
  205   1HG   GLU  26          1HG       GLU  26   8.068   5.522   3.216
  206   2HG   GLU  26          2HG       GLU  26   7.215   6.909   2.527
  207    H    GLU  27           H        GLU  27   3.535   5.362   1.939
  208    HA   GLU  27           HA       GLU  27   1.808   3.569   3.373
  209   1HB   GLU  27          1HB       GLU  27   1.285   5.295   0.946
  210   2HB   GLU  27          2HB       GLU  27   0.025   4.419   1.839
  211   1HG   GLU  27          1HG       GLU  27   0.347   5.603   3.851
  212   2HG   GLU  27          2HG       GLU  27   1.887   6.296   3.340
  213    H    LEU  28           H        LEU  28   2.948   3.480  -0.082
  214    HA   LEU  28           HA       LEU  28   1.835   0.940  -0.679
  215   1HB   LEU  28          1HB       LEU  28   4.358   2.352  -1.591
  216   2HB   LEU  28          2HB       LEU  28   4.010   0.710  -2.144
  217    HG   LEU  28           HG       LEU  28   1.910   2.821  -2.275
  218   1HD1  LEU  28          1HD1      LEU  28   4.093   2.365  -4.332
  219   2HD1  LEU  28          2HD1      LEU  28   2.628   3.354  -4.552
  220   3HD1  LEU  28          3HD1      LEU  28   3.828   3.837  -3.349
  221   1HD2  LEU  28          1HD2      LEU  28   1.282   0.425  -2.798
  222   2HD2  LEU  28          2HD2      LEU  28   1.124   1.458  -4.228
  223   3HD2  LEU  28          3HD2      LEU  28   2.533   0.396  -4.054
  224    H    LYS  29           H        LYS  29   4.931   1.643   0.969
  225    HA   LYS  29           HA       LYS  29   5.682  -1.100   0.991
  226   1HB   LYS  29          1HB       LYS  29   7.069   0.964   1.606
  227   2HB   LYS  29          2HB       LYS  29   6.227   1.031   3.125
  228   1HG   LYS  29          1HG       LYS  29   7.079  -1.261   3.707
  229   2HG   LYS  29          2HG       LYS  29   7.915  -1.318   2.142
  230   1HD   LYS  29          1HD       LYS  29   9.294   0.647   2.812
  231   2HD   LYS  29          2HD       LYS  29   8.399   0.758   4.335
  232   1HE   LYS  29          1HE       LYS  29  10.545  -0.345   4.714
  233   2HE   LYS  29          2HE       LYS  29   9.220  -1.481   5.012
  234   1HZ   LYS  29          1HZ       LYS  29  10.820  -1.330   2.550
  235   2HZ   LYS  29          2HZ       LYS  29  10.996  -2.451   3.744
  236   3HZ   LYS  29          3HZ       LYS  29   9.614  -2.413   2.852
  237    H    LEU  30           H        LEU  30   3.931   0.811   3.387
  238    HA   LEU  30           HA       LEU  30   3.406  -1.376   5.157
  239   1HB   LEU  30          1HB       LEU  30   1.762   1.141   4.650
  240   2HB   LEU  30          2HB       LEU  30   1.491   0.045   6.010
  241    HG   LEU  30           HG       LEU  30   4.106   1.553   5.529
  242   1HD1  LEU  30          3HD1      LEU  30   2.219   3.090   5.985
  243   2HD1  LEU  30          1HD1      LEU  30   1.836   2.172   7.459
  244   3HD1  LEU  30          2HD1      LEU  30   3.377   3.044   7.324
  245   1HD2  LEU  30          3HD2      LEU  30   3.076  -0.044   7.916
  246   2HD2  LEU  30          1HD2      LEU  30   4.466  -0.459   6.887
  247   3HD2  LEU  30          2HD2      LEU  30   4.532   0.971   7.917
  248    H    LEU  31           H        LEU  31   1.408  -0.146   2.512
  249    HA   LEU  31           HA       LEU  31  -0.732  -1.960   2.658
  250   1HB   LEU  31          1HB       LEU  31  -0.554   0.015   1.177
  251   2HB   LEU  31          2HB       LEU  31   0.608  -0.825   0.160
  252    HG   LEU  31           HG       LEU  31  -2.220  -1.825   0.629
  253   1HD1  LEU  31          1HD1      LEU  31  -1.100  -0.074  -1.603
  254   2HD1  LEU  31          2HD1      LEU  31  -2.734  -0.758  -1.580
  255   3HD1  LEU  31          3HD1      LEU  31  -2.267   0.443  -0.367
  256   1HD2  LEU  31          3HD2      LEU  31  -0.112  -2.486  -1.479
  257   2HD2  LEU  31          1HD2      LEU  31  -0.873  -3.606  -0.326
  258   3HD2  LEU  31          2HD2      LEU  31  -1.825  -2.921  -1.630
  259    H    LEU  32           H        LEU  32   2.285  -2.246   0.828
  260    HA   LEU  32           HA       LEU  32   1.786  -4.843  -0.239
  261   1HB   LEU  32          1HB       LEU  32   4.375  -3.334   0.353
  262   2HB   LEU  32          2HB       LEU  32   4.332  -4.859  -0.531
  263    HG   LEU  32           HG       LEU  32   2.718  -2.468  -1.498
  264   1HD1  LEU  32          1HD1      LEU  32   5.606  -3.172  -2.197
  265   2HD1  LEU  32          2HD1      LEU  32   4.615  -1.926  -2.985
  266   3HD1  LEU  32          3HD1      LEU  32   5.085  -1.740  -1.289
  267   1HD2  LEU  32          1HD2      LEU  32   2.217  -4.701  -2.478
  268   2HD2  LEU  32          2HD2      LEU  32   2.948  -3.598  -3.658
  269   3HD2  LEU  32          3HD2      LEU  32   3.940  -4.859  -2.900
  270    H    GLN  33           H        GLN  33   3.711  -3.815   2.635
  271    HA   GLN  33           HA       GLN  33   4.543  -6.357   3.453
  272   1HB   GLN  33          1HB       GLN  33   5.404  -4.200   4.335
  273   2HB   GLN  33          2HB       GLN  33   3.848  -3.899   5.122
  274   1HG   GLN  33          1HG       GLN  33   4.222  -5.927   6.557
  275   2HG   GLN  33          2HG       GLN  33   5.780  -6.173   5.751
  276   1HE2  GLN  33          1HE2      GLN  33   5.304  -2.987   8.355
  277   2HE2  GLN  33          2HE2      GLN  33   3.894  -3.672   7.564
  278    H    THR  34           H        THR  34   1.632  -4.569   4.401
  279    HA   THR  34           HA       THR  34   0.826  -6.640   6.243
  280    HB   THR  34           HB       THR  34  -0.856  -4.365   5.156
  281    HG1  THR  34           HG1      THR  34   0.960  -3.436   5.902
  282   1HG2  THR  34          1HG2      THR  34  -0.864  -5.888   7.810
  283   2HG2  THR  34          2HG2      THR  34  -1.870  -4.478   7.442
  284   3HG2  THR  34          3HG2      THR  34  -2.111  -5.990   6.547
  285    H    GLU  35           H        GLU  35  -0.281  -5.692   2.936
  286    HA   GLU  35           HA       GLU  35  -2.383  -7.732   3.022
  287   1HB   GLU  35          1HB       GLU  35  -1.702  -5.556   0.997
  288   2HB   GLU  35          2HB       GLU  35  -3.135  -6.563   0.992
  289   1HG   GLU  35          1HG       GLU  35  -2.306  -4.521   3.120
  290   2HG   GLU  35          2HG       GLU  35  -3.526  -4.298   1.878
  291    H    PHE  36           H        PHE  36   0.700  -7.147   1.392
  292    HA   PHE  36           HA       PHE  36   0.439  -9.714  -0.099
  293   1HB   PHE  36          1HB       PHE  36   1.073  -7.037  -1.373
  294   2HB   PHE  36          2HB       PHE  36   1.037  -8.609  -2.165
  295    HD1  PHE  36           HD1      PHE  36  -1.257  -9.924  -2.058
  296    HD2  PHE  36           HD2      PHE  36  -0.811  -5.659  -1.601
  297    HE1  PHE  36           HE1      PHE  36  -3.520  -9.587  -3.008
  298    HE2  PHE  36           HE2      PHE  36  -3.043  -5.331  -2.721
  299    HZ   PHE  36           HZ       PHE  36  -4.401  -7.302  -3.335
  300    HA   PRO  37           HA       PRO  37   4.762  -9.032   1.745
  301   1HB   PRO  37          1HB       PRO  37   4.161 -12.003   1.885
  302   2HB   PRO  37          2HB       PRO  37   5.210 -11.030   2.960
  303   1HG   PRO  37          1HG       PRO  37   2.688 -11.633   3.744
  304   2HG   PRO  37          2HG       PRO  37   3.298  -9.966   3.950
  305   1HD   PRO  37          1HD       PRO  37   1.464 -11.024   1.794
  306   2HD   PRO  37          2HD       PRO  37   1.393  -9.489   2.711
  307    H    SER  38           H        SER  38   3.242 -11.260  -0.620
  308    HA   SER  38           HA       SER  38   5.461 -12.312  -1.934
  309   1HB   SER  38          1HB       SER  38   2.930 -11.597  -3.401
  310   2HB   SER  38          2HB       SER  38   3.845 -13.114  -3.379
  311    HG   SER  38           HG       SER  38   1.907 -13.315  -2.181
  312    H    LEU  39           H        LEU  39   3.669  -9.288  -2.256
  313    HA   LEU  39           HA       LEU  39   5.096  -8.428  -4.675
  314   1HB   LEU  39          1HB       LEU  39   2.887  -7.281  -2.983
  315   2HB   LEU  39          2HB       LEU  39   3.514  -6.488  -4.456
  316    HG   LEU  39           HG       LEU  39   2.176  -9.213  -4.317
  317   1HD1  LEU  39          3HD1      LEU  39   0.745  -7.073  -3.964
  318   2HD1  LEU  39          1HD1      LEU  39   1.118  -6.689  -5.648
  319   3HD1  LEU  39          2HD1      LEU  39   0.246  -8.184  -5.244
  320   1HD2  LEU  39          3HD2      LEU  39   3.189  -7.621  -6.711
  321   2HD2  LEU  39          1HD2      LEU  39   3.712  -9.243  -6.200
  322   3HD2  LEU  39          2HD2      LEU  39   2.080  -9.003  -6.825
  323    H    LEU  40           H        LEU  40   4.940  -7.778  -1.194
  324    HA   LEU  40           HA       LEU  40   6.617  -5.482  -1.141
  325   1HB   LEU  40          1HB       LEU  40   5.486  -6.457   0.910
  326   2HB   LEU  40          2HB       LEU  40   6.654  -7.778   0.851
  327    HG   LEU  40           HG       LEU  40   8.503  -5.952   0.974
  328   1HD1  LEU  40          1HD1      LEU  40   6.121  -4.325   1.956
  329   2HD1  LEU  40          2HD1      LEU  40   7.827  -3.871   2.108
  330   3HD1  LEU  40          3HD1      LEU  40   7.086  -3.979   0.507
  331   1HD2  LEU  40          1HD2      LEU  40   8.002  -7.499   2.797
  332   2HD2  LEU  40          2HD2      LEU  40   8.417  -5.883   3.393
  333   3HD2  LEU  40          3HD2      LEU  40   6.729  -6.414   3.383
  334    H    LYS  41           H        LYS  41   7.455  -8.944  -1.097
  335    HA   LYS  41           HA       LYS  41  10.293  -8.516  -1.462
  336   1HB   LYS  41          1HB       LYS  41   8.454 -10.900  -1.902
  337   2HB   LYS  41          2HB       LYS  41  10.198 -10.934  -2.181
  338   1HG   LYS  41          1HG       LYS  41  10.627 -10.196   0.127
  339   2HG   LYS  41          2HG       LYS  41   8.901 -10.192   0.491
  340   1HD   LYS  41          1HD       LYS  41  10.139 -12.740  -0.585
  341   2HD   LYS  41          2HD       LYS  41  10.543 -12.251   1.061
  342   1HE   LYS  41          1HE       LYS  41   8.641 -13.795   1.057
  343   2HE   LYS  41          2HE       LYS  41   8.201 -12.218   1.733
  344   1HZ   LYS  41          1HZ       LYS  41   7.650 -13.072  -1.021
  345   2HZ   LYS  41          2HZ       LYS  41   6.562 -13.095   0.218
  346   3HZ   LYS  41          3HZ       LYS  41   7.168 -11.658  -0.312
  347    H    GLY  42           H        GLY  42   7.794  -9.643  -3.728
  348   1HA   GLY  42          1HA       GLY  42   7.309  -9.086  -5.871
  349   2HA   GLY  42          2HA       GLY  42   8.306  -7.644  -5.662
  350    H    GLY  43           H        GLY  43  10.764  -8.212  -5.663
  351   1HA   GLY  43          1HA       GLY  43  12.365  -9.818  -6.920
  352   2HA   GLY  43          2HA       GLY  43  11.305  -9.487  -8.314
  353    H    SER  44           H        SER  44  10.729  -7.059  -8.562
  354    HA   SER  44           HA       SER  44  12.999  -5.350  -8.768
  355   1HB   SER  44          1HB       SER  44  10.044  -4.629  -8.409
  356   2HB   SER  44          2HB       SER  44  11.299  -3.617  -9.127
  357    HG   SER  44           HG       SER  44  10.237  -4.558 -10.794
  358    H    THR  45           H        THR  45  13.742  -3.710  -7.275
  359    HA   THR  45           HA       THR  45  13.166  -4.012  -4.465
  360    HB   THR  45           HB       THR  45  14.225  -1.762  -4.253
  361    HG1  THR  45           HG1      THR  45  14.542  -1.847  -7.053
  362   1HG2  THR  45          1HG2      THR  45  15.745  -3.652  -6.111
  363   2HG2  THR  45          2HG2      THR  45  16.445  -2.346  -5.135
  364   3HG2  THR  45          3HG2      THR  45  15.679  -3.736  -4.343
  365    H    LEU  46           H        LEU  46  11.983  -2.416  -3.115
  366    HA   LEU  46           HA       LEU  46   9.406  -1.746  -3.945
  367   1HB   LEU  46          1HB       LEU  46  10.110  -1.752  -1.583
  368   2HB   LEU  46          2HB       LEU  46  11.263  -0.447  -1.901
  369    HG   LEU  46           HG       LEU  46   9.385   1.108  -2.392
  370   1HD1  LEU  46          1HD1      LEU  46   7.637  -1.228  -1.480
  371   2HD1  LEU  46          2HD1      LEU  46   7.081   0.444  -1.699
  372   3HD1  LEU  46          3HD1      LEU  46   7.632  -0.488  -3.097
  373   1HD2  LEU  46          1HD2      LEU  46  10.399   0.974  -0.154
  374   2HD2  LEU  46          2HD2      LEU  46   8.674   1.361  -0.062
  375   3HD2  LEU  46          3HD2      LEU  46   9.233  -0.286   0.306
  376    H    ASP  47           H        ASP  47  12.351   0.230  -4.070
  377    HA   ASP  47           HA       ASP  47  11.212   2.576  -5.100
  378   1HB   ASP  47          1HB       ASP  47  14.000   1.405  -5.549
  379   2HB   ASP  47          2HB       ASP  47  13.529   3.087  -5.817
  380    H    GLU  48           H        GLU  48  12.761  -0.102  -6.872
  381    HA   GLU  48           HA       GLU  48  12.179   0.878  -9.487
  382   1HB   GLU  48          1HB       GLU  48  12.536  -1.908  -8.384
  383   2HB   GLU  48          2HB       GLU  48  12.258  -1.609 -10.113
  384   1HG   GLU  48          1HG       GLU  48  14.265  -0.330 -10.346
  385   2HG   GLU  48          2HG       GLU  48  14.539  -0.270  -8.603
  386    H    LEU  49           H        LEU  49  10.260  -1.231  -7.347
  387    HA   LEU  49           HA       LEU  49   8.136  -1.679  -9.143
  388   1HB   LEU  49          1HB       LEU  49   8.483  -2.965  -7.072
  389   2HB   LEU  49          2HB       LEU  49   8.092  -1.541  -6.104
  390    HG   LEU  49           HG       LEU  49   5.779  -1.544  -6.986
  391   1HD1  LEU  49          1HD1      LEU  49   6.690  -4.044  -8.486
  392   2HD1  LEU  49          2HD1      LEU  49   4.995  -3.579  -8.249
  393   3HD1  LEU  49          3HD1      LEU  49   6.057  -2.541  -9.199
  394   1HD2  LEU  49          1HD2      LEU  49   6.350  -2.779  -4.922
  395   2HD2  LEU  49          2HD2      LEU  49   5.032  -3.568  -5.807
  396   3HD2  LEU  49          3HD2      LEU  49   6.675  -4.239  -5.879
  397    H    PHE  50           H        PHE  50   8.572   0.823  -6.670
  398    HA   PHE  50           HA       PHE  50   6.172   2.263  -6.990
  399   1HB   PHE  50          1HB       PHE  50   7.774   2.593  -5.178
  400   2HB   PHE  50          2HB       PHE  50   8.975   3.212  -6.292
  401    HD1  PHE  50           HD2      PHE  50   5.900   3.993  -4.456
  402    HD2  PHE  50           HD1      PHE  50   8.889   5.467  -7.180
  403    HE1  PHE  50           HE2      PHE  50   5.222   6.315  -3.939
  404    HE2  PHE  50           HE1      PHE  50   8.282   7.792  -6.583
  405    HZ   PHE  50           HZ       PHE  50   6.576   8.197  -4.817
  406    H    GLU  51           H        GLU  51   9.315   2.725  -8.727
  407    HA   GLU  51           HA       GLU  51   8.313   4.740 -10.496
  408   1HB   GLU  51          1HB       GLU  51  10.531   2.694 -10.905
  409   2HB   GLU  51          2HB       GLU  51  10.226   4.078 -11.960
  410   1HG   GLU  51          1HG       GLU  51  10.952   4.286  -8.998
  411   2HG   GLU  51          2HG       GLU  51  12.059   4.514 -10.351
  412    H    GLU  52           H        GLU  52   8.453   1.214 -10.862
  413    HA   GLU  52           HA       GLU  52   7.384   1.047 -13.474
  414   1HB   GLU  52          1HB       GLU  52   7.165  -0.907 -11.157
  415   2HB   GLU  52          2HB       GLU  52   6.581  -1.252 -12.780
  416   1HG   GLU  52          1HG       GLU  52   8.789  -1.075 -13.731
  417   2HG   GLU  52          2HG       GLU  52   9.483  -0.524 -12.207
  418    H    LEU  53           H        LEU  53   5.670   1.392 -10.366
  419    HA   LEU  53           HA       LEU  53   3.057   1.277 -11.664
  420   1HB   LEU  53          1HB       LEU  53   3.861   2.284  -8.911
  421   2HB   LEU  53          2HB       LEU  53   2.231   1.980  -9.521
  422    HG   LEU  53           HG       LEU  53   4.369  -0.110  -9.000
  423   1HD1  LEU  53          3HD1      LEU  53   3.215   0.810  -7.010
  424   2HD1  LEU  53          1HD1      LEU  53   1.653   0.345  -7.719
  425   3HD1  LEU  53          2HD1      LEU  53   2.843  -0.899  -7.285
  426   1HD2  LEU  53          3HD2      LEU  53   1.591  -0.503 -10.152
  427   2HD2  LEU  53          1HD2      LEU  53   3.136  -0.816 -10.985
  428   3HD2  LEU  53          2HD2      LEU  53   2.692  -1.791  -9.597
  429    H    ASP  54           H        ASP  54   4.975   3.924 -10.257
  430    HA   ASP  54           HA       ASP  54   3.179   5.972 -11.325
  431   1HB   ASP  54          1HB       ASP  54   4.291   6.268  -9.165
  432   2HB   ASP  54          2HB       ASP  54   5.876   6.152  -9.931
  433    H    LYS  55           H        LYS  55   3.673   4.700 -13.533
  434    HA   LYS  55           HA       LYS  55   6.009   5.235 -15.035
  435   1HB   LYS  55          1HB       LYS  55   3.126   4.955 -15.946
  436   2HB   LYS  55          2HB       LYS  55   4.517   4.950 -17.028
  437   1HG   LYS  55          1HG       LYS  55   3.912   2.932 -14.824
  438   2HG   LYS  55          2HG       LYS  55   3.778   2.688 -16.554
  439   1HD   LYS  55          1HD       LYS  55   6.334   3.036 -14.943
  440   2HD   LYS  55          2HD       LYS  55   5.772   1.596 -15.772
  441   1HE   LYS  55          1HE       LYS  55   6.708   4.174 -17.118
  442   2HE   LYS  55          2HE       LYS  55   7.565   2.633 -17.050
  443   1HZ   LYS  55          3HZ       LYS  55   5.783   1.645 -18.300
  444   2HZ   LYS  55          1HZ       LYS  55   4.990   3.089 -18.380
  445   3HZ   LYS  55          2HZ       LYS  55   6.450   2.909 -19.122
  446    H    ASN  56           H        ASN  56   3.180   7.213 -14.429
  447    HA   ASN  56           HA       ASN  56   3.758   9.366 -16.267
  448   1HB   ASN  56          1HB       ASN  56   2.066  10.575 -14.921
  449   2HB   ASN  56          2HB       ASN  56   1.464   9.025 -15.479
  450   1HD2  ASN  56          1HD2      ASN  56   1.088   9.761 -11.652
  451   2HD2  ASN  56          2HD2      ASN  56   1.027  10.859 -13.038
  452    H    GLY  57           H        GLY  57   5.181   8.424 -13.224
  453   1HA   GLY  57          1HA       GLY  57   6.833   9.369 -12.011
  454   2HA   GLY  57          2HA       GLY  57   7.134  10.406 -13.407
  455    H    ASP  58           H        ASP  58   4.170  10.342 -11.288
  456    HA   ASP  58           HA       ASP  58   4.428  13.216 -10.925
  457   1HB   ASP  58          1HB       ASP  58   2.354  13.139  -9.909
  458   2HB   ASP  58          2HB       ASP  58   2.261  12.093 -11.312
  459    H    GLY  59           H        GLY  59   5.630  10.446  -9.233
  460   1HA   GLY  59          1HA       GLY  59   7.274  10.672  -7.579
  461   2HA   GLY  59          2HA       GLY  59   6.613  12.220  -7.052
  462    H    GLU  60           H        GLU  60   4.105   9.968  -7.560
  463    HA   GLU  60           HA       GLU  60   4.223   8.354  -5.152
  464   1HB   GLU  60          1HB       GLU  60   2.096  10.514  -5.578
  465   2HB   GLU  60          2HB       GLU  60   1.961   9.157  -4.451
  466   1HG   GLU  60          1HG       GLU  60   4.095  10.050  -3.333
  467   2HG   GLU  60          2HG       GLU  60   3.847  11.522  -4.290
  468    H    VAL  61           H        VAL  61   2.064   7.016  -5.256
  469    HA   VAL  61           HA       VAL  61   1.620   6.366  -8.168
  470    HB   VAL  61           HB       VAL  61   1.291   4.538  -5.795
  471   1HG1  VAL  61          3HG1      VAL  61  -0.072   4.019  -7.836
  472   2HG1  VAL  61          1HG1      VAL  61   1.417   4.015  -8.796
  473   3HG1  VAL  61          2HG1      VAL  61   1.166   2.797  -7.522
  474   1HG2  VAL  61          3HG2      VAL  61   3.573   4.730  -7.834
  475   2HG2  VAL  61          1HG2      VAL  61   3.713   5.069  -6.098
  476   3HG2  VAL  61          2HG2      VAL  61   3.382   3.426  -6.673
  477    H    SER  62           H        SER  62  -0.257   7.178  -8.855
  478    HA   SER  62           HA       SER  62  -2.508   7.664  -7.089
  479   1HB   SER  62          1HB       SER  62  -2.587   7.817 -10.097
  480   2HB   SER  62          2HB       SER  62  -3.545   8.688  -8.900
  481    HG   SER  62           HG       SER  62  -0.784   9.016  -9.522
  482    H    PHE  63           H        PHE  63  -4.666   6.675  -7.358
  483    HA   PHE  63           HA       PHE  63  -4.558   3.895  -7.366
  484   1HB   PHE  63          1HB       PHE  63  -6.367   5.159  -6.318
  485   2HB   PHE  63          2HB       PHE  63  -6.974   5.661  -7.901
  486    HD1  PHE  63           HD1      PHE  63  -6.171   2.568  -5.918
  487    HD2  PHE  63           HD2      PHE  63  -8.618   4.297  -9.012
  488    HE1  PHE  63           HE1      PHE  63  -7.481   0.477  -6.040
  489    HE2  PHE  63           HE2      PHE  63  -9.924   2.193  -9.139
  490    HZ   PHE  63           HZ       PHE  63  -9.385   0.291  -7.610
  491    H    GLU  64           H        GLU  64  -5.056   5.947 -10.169
  492    HA   GLU  64           HA       GLU  64  -6.118   3.870 -11.845
  493   1HB   GLU  64          1HB       GLU  64  -4.677   6.478 -12.597
  494   2HB   GLU  64          2HB       GLU  64  -5.574   5.429 -13.694
  495   1HG   GLU  64          1HG       GLU  64  -6.993   7.278 -13.104
  496   2HG   GLU  64          2HG       GLU  64  -7.652   5.810 -12.374
  497    H    GLU  65           H        GLU  65  -2.842   5.408 -11.889
  498    HA   GLU  65           HA       GLU  65  -1.679   3.370 -13.481
  499   1HB   GLU  65          1HB       GLU  65   0.464   4.342 -12.807
  500   2HB   GLU  65          2HB       GLU  65  -0.706   5.519 -13.365
  501   1HG   GLU  65          1HG       GLU  65  -1.151   5.397 -10.581
  502   2HG   GLU  65          2HG       GLU  65   0.570   5.203 -10.696
  503    H    PHE  66           H        PHE  66  -2.069   3.546  -9.904
  504    HA   PHE  66           HA       PHE  66  -0.621   1.292  -9.126
  505   1HB   PHE  66          1HB       PHE  66  -1.727   2.540  -7.470
  506   2HB   PHE  66          2HB       PHE  66  -3.241   2.457  -8.339
  507    HD1  PHE  66           HD1      PHE  66  -0.947   0.347  -6.250
  508    HD2  PHE  66           HD2      PHE  66  -4.882   0.933  -7.872
  509    HE1  PHE  66           HE1      PHE  66  -1.837  -1.455  -4.784
  510    HE2  PHE  66           HE2      PHE  66  -5.720  -1.031  -6.628
  511    HZ   PHE  66           HZ       PHE  66  -4.206  -2.179  -4.988
  512    H    GLN  67           H        GLN  67  -3.603   1.297 -11.144
  513    HA   GLN  67           HA       GLN  67  -4.204  -1.451 -10.830
  514   1HB   GLN  67          1HB       GLN  67  -4.506   0.174 -13.385
  515   2HB   GLN  67          2HB       GLN  67  -5.241  -1.387 -13.028
  516   1HG   GLN  67          1HG       GLN  67  -5.948   1.283 -11.808
  517   2HG   GLN  67          2HG       GLN  67  -6.959   0.163 -12.707
  518   1HE2  GLN  67          1HE2      GLN  67  -6.818  -0.012  -8.696
  519   2HE2  GLN  67          2HE2      GLN  67  -6.178   1.309  -9.651
  520    H    VAL  68           H        VAL  68  -1.391  -0.053 -12.409
  521    HA   VAL  68           HA       VAL  68  -0.665  -2.273 -14.047
  522    HB   VAL  68           HB       VAL  68   1.026  -0.268 -12.511
  523   1HG1  VAL  68          1HG1      VAL  68   1.876  -2.287 -14.632
  524   2HG1  VAL  68          2HG1      VAL  68   2.866  -0.928 -14.057
  525   3HG1  VAL  68          3HG1      VAL  68   2.435  -2.228 -12.945
  526   1HG2  VAL  68          1HG2      VAL  68  -0.441   0.657 -14.347
  527   2HG2  VAL  68          2HG2      VAL  68   1.285   0.797 -14.704
  528   3HG2  VAL  68          3HG2      VAL  68   0.318  -0.477 -15.475
  529    H    LEU  69           H        LEU  69  -0.518  -1.794 -10.504
  530    HA   LEU  69           HA       LEU  69   1.133  -4.133 -10.042
  531   1HB   LEU  69          1HB       LEU  69   0.813  -2.178  -8.402
  532   2HB   LEU  69          2HB       LEU  69  -0.830  -2.749  -8.156
  533    HG   LEU  69           HG       LEU  69   0.148  -4.986  -7.400
  534   1HD1  LEU  69          1HD1      LEU  69   2.724  -3.348  -7.388
  535   2HD1  LEU  69          2HD1      LEU  69   2.512  -4.914  -6.590
  536   3HD1  LEU  69          3HD1      LEU  69   2.422  -4.812  -8.350
  537   1HD2  LEU  69          3HD2      LEU  69   0.838  -2.473  -5.828
  538   2HD2  LEU  69          1HD2      LEU  69  -0.716  -3.340  -5.827
  539   3HD2  LEU  69          2HD2      LEU  69   0.726  -4.116  -5.158
  540    H    VAL  70           H        VAL  70  -2.339  -3.314  -9.977
  541    HA   VAL  70           HA       VAL  70  -3.322  -5.841  -9.170
  542    HB   VAL  70           HB       VAL  70  -4.711  -3.800 -10.974
  543   1HG1  VAL  70          1HG1      VAL  70  -5.781  -5.959  -9.113
  544   2HG1  VAL  70          2HG1      VAL  70  -6.766  -4.714  -9.917
  545   3HG1  VAL  70          3HG1      VAL  70  -5.911  -5.922 -10.878
  546   1HG2  VAL  70          3HG2      VAL  70  -4.383  -3.959  -7.956
  547   2HG2  VAL  70          1HG2      VAL  70  -3.925  -2.613  -8.979
  548   3HG2  VAL  70          2HG2      VAL  70  -5.635  -2.969  -8.743
  549    H    LYS  71           H        LYS  71  -2.554  -4.566 -12.407
  550    HA   LYS  71           HA       LYS  71  -3.236  -6.852 -13.958
  551   1HB   LYS  71          1HB       LYS  71  -2.809  -4.781 -15.009
  552   2HB   LYS  71          2HB       LYS  71  -1.191  -4.648 -14.319
  553   1HG   LYS  71          1HG       LYS  71  -0.410  -6.579 -15.573
  554   2HG   LYS  71          2HG       LYS  71  -2.014  -6.813 -16.292
  555   1HD   LYS  71          1HD       LYS  71  -0.217  -4.355 -16.632
  556   2HD   LYS  71          2HD       LYS  71  -0.391  -5.676 -17.799
  557   1HE   LYS  71          1HE       LYS  71  -2.852  -5.136 -17.977
  558   2HE   LYS  71          2HE       LYS  71  -2.572  -3.712 -16.950
  559   1HZ   LYS  71          3HZ       LYS  71  -1.038  -2.907 -18.576
  560   2HZ   LYS  71          1HZ       LYS  71  -1.299  -4.220 -19.538
  561   3HZ   LYS  71          2HZ       LYS  71  -2.523  -3.156 -19.245
  562    H    LYS  72           H        LYS  72  -0.077  -5.958 -12.579
  563    HA   LYS  72           HA       LYS  72   1.230  -8.389 -13.093
  564   1HB   LYS  72          1HB       LYS  72   1.636  -6.225 -11.055
  565   2HB   LYS  72          2HB       LYS  72   2.366  -7.791 -10.715
  566   1HG   LYS  72          1HG       LYS  72   4.003  -6.500 -11.827
  567   2HG   LYS  72          2HG       LYS  72   3.482  -7.792 -12.915
  568   1HD   LYS  72          1HD       LYS  72   2.001  -6.105 -14.103
  569   2HD   LYS  72          2HD       LYS  72   2.591  -4.870 -12.981
  570   1HE   LYS  72          1HE       LYS  72   3.795  -4.682 -15.076
  571   2HE   LYS  72          2HE       LYS  72   4.909  -5.194 -13.797
  572   1HZ   LYS  72          1HZ       LYS  72   3.645  -6.964 -15.778
  573   2HZ   LYS  72          2HZ       LYS  72   5.202  -6.428 -15.821
  574   3HZ   LYS  72          3HZ       LYS  72   4.713  -7.431 -14.612
  575    H    ILE  73           H        ILE  73  -0.958  -7.715 -10.377
  576    HA   ILE  73           HA       ILE  73  -0.662 -10.329  -9.193
  577    HB   ILE  73           HB       ILE  73  -3.077  -8.481  -9.059
  578   1HG1  ILE  73          1HG1      ILE  73  -0.759  -8.921  -7.133
  579   2HG1  ILE  73          2HG1      ILE  73  -0.997  -7.490  -8.134
  580   1HG2  ILE  73          3HG2      ILE  73  -3.641 -10.863  -8.519
  581   2HG2  ILE  73          1HG2      ILE  73  -2.338 -10.870  -7.313
  582   3HG2  ILE  73          2HG2      ILE  73  -3.756  -9.819  -7.116
  583   1HD1  ILE  73          3HD1      ILE  73  -3.209  -7.099  -6.975
  584   2HD1  ILE  73          1HD1      ILE  73  -2.722  -8.348  -5.800
  585   3HD1  ILE  73          2HD1      ILE  73  -1.756  -6.881  -5.985
  586    H    SER  74           H        SER  74  -3.197  -9.079 -11.337
  587    HA   SER  74           HA       SER  74  -3.377 -11.327 -13.058
  588   1HB   SER  74          1HB       SER  74  -5.262 -11.299 -10.680
  589   2HB   SER  74          2HB       SER  74  -5.777 -11.997 -12.226
  590    HG   SER  74           HG       SER  74  -3.376 -12.816 -11.004
  591    H    GLN  75           H        GLN  75  -5.235  -8.749 -11.480
  592    HA   GLN  75           HA       GLN  75  -7.127  -7.623 -12.125
  593   1HB   GLN  75          1HB       GLN  75  -5.263  -6.334 -13.114
  594   2HB   GLN  75          2HB       GLN  75  -5.463  -7.214 -14.644
  595   1HG   GLN  75          1HG       GLN  75  -7.726  -6.237 -14.886
  596   2HG   GLN  75          2HG       GLN  75  -7.596  -5.506 -13.278
  597   1HE2  GLN  75          1HE2      GLN  75  -5.247  -3.910 -16.288
  598   2HE2  GLN  75          2HE2      GLN  75  -5.565  -5.639 -16.294
   
  No H/Q in entry =         598
  Start of MODEL          15
 Raw file had  599 H/Q atoms
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  -8.554 -11.062  -4.345
    2   2H    LYS   1          2H        LYS   1  -7.260 -10.072  -4.763
    3   3H    LYS   1          3H        LYS   1  -7.404 -10.648  -3.190
    4    HA   LYS   1           HA       LYS   1  -9.403  -9.421  -2.868
    5   1HB   LYS   1          1HB       LYS   1  -7.122  -7.768  -3.999
    6   2HB   LYS   1          2HB       LYS   1  -8.382  -7.166  -2.911
    7   1HG   LYS   1          1HG       LYS   1  -6.338  -9.334  -2.197
    8   2HG   LYS   1          2HG       LYS   1  -6.144  -7.614  -1.851
    9   1HD   LYS   1          1HD       LYS   1  -8.249  -7.656  -0.494
   10   2HD   LYS   1          2HD       LYS   1  -8.343  -9.414  -0.743
   11   1HE   LYS   1          1HE       LYS   1  -6.153  -9.711   0.358
   12   2HE   LYS   1          2HE       LYS   1  -5.972  -7.957   0.526
   13   1HZ   LYS   1          3HZ       LYS   1  -7.892  -7.938   1.928
   14   2HZ   LYS   1          1HZ       LYS   1  -8.063  -9.574   1.795
   15   3HZ   LYS   1          2HZ       LYS   1  -6.732  -8.935   2.532
   16    H    SER   2           H        SER   2 -11.140  -8.276  -3.779
   17    HA   SER   2           HA       SER   2 -11.424  -8.330  -6.674
   18   1HB   SER   2          1HB       SER   2 -13.607  -7.267  -6.201
   19   2HB   SER   2          2HB       SER   2 -13.343  -8.668  -5.152
   20    HG   SER   2           HG       SER   2 -14.055  -6.929  -3.910
   21    HA   PRO   3           HA       PRO   3  -9.842  -4.181  -7.540
   22   1HB   PRO   3          1HB       PRO   3 -12.580  -3.708  -8.759
   23   2HB   PRO   3          2HB       PRO   3 -10.983  -3.228  -9.400
   24   1HG   PRO   3          1HG       PRO   3 -12.197  -5.439 -10.384
   25   2HG   PRO   3          2HG       PRO   3 -10.461  -5.511  -9.961
   26   1HD   PRO   3          1HD       PRO   3 -12.814  -6.497  -8.338
   27   2HD   PRO   3          2HD       PRO   3 -11.246  -7.295  -8.666
   28    H    GLU   4           H        GLU   4 -13.173  -4.541  -6.282
   29    HA   GLU   4           HA       GLU   4 -13.433  -1.973  -5.095
   30   1HB   GLU   4          1HB       GLU   4 -14.675  -4.639  -4.290
   31   2HB   GLU   4          2HB       GLU   4 -15.220  -3.046  -3.757
   32   1HG   GLU   4          1HG       GLU   4 -15.816  -2.416  -6.045
   33   2HG   GLU   4          2HG       GLU   4 -15.188  -3.942  -6.683
   34    H    GLU   5           H        GLU   5 -12.233  -5.069  -3.803
   35    HA   GLU   5           HA       GLU   5 -11.743  -4.057  -1.130
   36   1HB   GLU   5          1HB       GLU   5 -10.649  -6.418  -2.698
   37   2HB   GLU   5          2HB       GLU   5 -10.089  -6.036  -1.068
   38   1HG   GLU   5          1HG       GLU   5 -13.030  -6.491  -1.724
   39   2HG   GLU   5          2HG       GLU   5 -11.933  -7.772  -1.189
   40    H    LEU   6           H        LEU   6  -9.769  -4.398  -4.053
   41    HA   LEU   6           HA       LEU   6  -7.365  -3.334  -2.976
   42   1HB   LEU   6          1HB       LEU   6  -8.486  -3.417  -5.799
   43   2HB   LEU   6          2HB       LEU   6  -6.887  -2.847  -5.407
   44    HG   LEU   6           HG       LEU   6  -7.953  -5.660  -4.859
   45   1HD1  LEU   6          3HD1      LEU   6  -7.353  -5.157  -7.242
   46   2HD1  LEU   6          1HD1      LEU   6  -5.711  -4.757  -6.664
   47   3HD1  LEU   6          2HD1      LEU   6  -6.332  -6.404  -6.487
   48   1HD2  LEU   6          3HD2      LEU   6  -5.303  -4.356  -4.134
   49   2HD2  LEU   6          1HD2      LEU   6  -6.403  -5.284  -3.083
   50   3HD2  LEU   6          2HD2      LEU   6  -5.481  -6.100  -4.338
   51    H    LYS   7           H        LYS   7 -10.113  -1.650  -4.522
   52    HA   LYS   7           HA       LYS   7  -8.972   0.939  -4.260
   53   1HB   LYS   7          1HB       LYS   7 -11.038   0.370  -5.555
   54   2HB   LYS   7          2HB       LYS   7 -11.915   0.127  -4.060
   55   1HG   LYS   7          1HG       LYS   7 -12.412   2.295  -5.051
   56   2HG   LYS   7          2HG       LYS   7 -11.729   2.454  -3.432
   57   1HD   LYS   7          1HD       LYS   7  -9.546   3.100  -4.342
   58   2HD   LYS   7          2HD       LYS   7 -10.099   2.788  -5.994
   59   1HE   LYS   7          1HE       LYS   7 -11.277   4.904  -4.136
   60   2HE   LYS   7          2HE       LYS   7 -10.039   5.203  -5.365
   61   1HZ   LYS   7          3HZ       LYS   7 -11.578   4.438  -7.022
   62   2HZ   LYS   7          1HZ       LYS   7 -12.747   4.203  -5.883
   63   3HZ   LYS   7          2HZ       LYS   7 -12.187   5.722  -6.186
   64    H    GLY   8           H        GLY   8 -11.002  -0.937  -2.053
   65   1HA   GLY   8          1HA       GLY   8 -11.317   0.951   0.037
   66   2HA   GLY   8          2HA       GLY   8 -11.286  -0.810   0.259
   67    H    ILE   9           H        ILE   9  -8.867  -1.573  -0.351
   68    HA   ILE   9           HA       ILE   9  -7.023  -0.965   1.727
   69    HB   ILE   9           HB       ILE   9  -6.808  -2.229  -1.020
   70   1HG1  ILE   9          1HG1      ILE   9  -6.831  -3.375   1.813
   71   2HG1  ILE   9          2HG1      ILE   9  -8.239  -3.306   0.746
   72   1HG2  ILE   9          3HG2      ILE   9  -4.582  -1.330  -0.375
   73   2HG2  ILE   9          1HG2      ILE   9  -4.683  -2.258   1.135
   74   3HG2  ILE   9          2HG2      ILE   9  -4.613  -3.079  -0.438
   75   1HD1  ILE   9          3HD1      ILE   9  -7.078  -4.729  -0.902
   76   2HD1  ILE   9          1HD1      ILE   9  -5.692  -4.867   0.205
   77   3HD1  ILE   9          2HD1      ILE   9  -7.269  -5.519   0.678
   78    H    PHE  10           H        PHE  10  -7.004   0.106  -1.732
   79    HA   PHE  10           HA       PHE  10  -4.712   1.662  -1.604
   80   1HB   PHE  10          1HB       PHE  10  -5.969   1.078  -3.680
   81   2HB   PHE  10          2HB       PHE  10  -7.246   2.163  -3.212
   82    HD1  PHE  10           HD1      PHE  10  -6.884   4.630  -3.069
   83    HD2  PHE  10           HD2      PHE  10  -3.868   1.946  -4.608
   84    HE1  PHE  10           HE1      PHE  10  -5.599   6.528  -3.868
   85    HE2  PHE  10           HE2      PHE  10  -2.603   3.909  -5.489
   86    HZ   PHE  10           HZ       PHE  10  -3.407   6.192  -5.018
   87    H    GLU  11           H        GLU  11  -8.088   2.610  -0.868
   88    HA   GLU  11           HA       GLU  11  -7.486   5.341  -0.208
   89   1HB   GLU  11          1HB       GLU  11  -9.824   3.530   0.518
   90   2HB   GLU  11          2HB       GLU  11  -9.746   5.258   0.905
   91   1HG   GLU  11          1HG       GLU  11  -9.574   5.854  -1.455
   92   2HG   GLU  11          2HG       GLU  11  -9.515   4.156  -1.934
   93    H    LYS  12           H        LYS  12  -8.022   2.434   1.835
   94    HA   LYS  12           HA       LYS  12  -7.677   3.442   4.395
   95   1HB   LYS  12          1HB       LYS  12  -8.274   1.176   4.147
   96   2HB   LYS  12          2HB       LYS  12  -6.902   0.811   3.095
   97   1HG   LYS  12          1HG       LYS  12  -5.321   0.841   4.812
   98   2HG   LYS  12          2HG       LYS  12  -6.485   1.538   5.983
   99   1HD   LYS  12          1HD       LYS  12  -7.848  -0.557   5.808
  100   2HD   LYS  12          2HD       LYS  12  -6.699  -1.196   4.623
  101   1HE   LYS  12          1HE       LYS  12  -6.233  -2.177   6.799
  102   2HE   LYS  12          2HE       LYS  12  -4.889  -1.127   6.336
  103   1HZ   LYS  12          1HZ       LYS  12  -7.066  -0.402   8.171
  104   2HZ   LYS  12          2HZ       LYS  12  -5.537  -0.828   8.610
  105   3HZ   LYS  12          3HZ       LYS  12  -5.792   0.560   7.763
  106    H    TYR  13           H        TYR  13  -5.102   2.354   2.159
  107    HA   TYR  13           HA       TYR  13  -3.022   3.142   4.059
  108   1HB   TYR  13          1HB       TYR  13  -3.009   1.948   1.293
  109   2HB   TYR  13          2HB       TYR  13  -1.536   2.445   2.131
  110    HD1  TYR  13           HD1      TYR  13  -1.046   1.557   4.419
  111    HD2  TYR  13           HD2      TYR  13  -4.209  -0.167   2.068
  112    HE1  TYR  13           HE1      TYR  13  -1.068  -0.482   5.872
  113    HE2  TYR  13           HE2      TYR  13  -4.119  -2.208   3.369
  114    HH   TYR  13           HH       TYR  13  -1.857  -2.723   6.046
  115    H    ALA  14           H        ALA  14  -4.183   4.437   0.947
  116    HA   ALA  14           HA       ALA  14  -2.371   6.596   0.707
  117   1HB   ALA  14          1HB       ALA  14  -5.271   6.391  -0.166
  118   2HB   ALA  14          2HB       ALA  14  -4.108   7.591  -0.755
  119   3HB   ALA  14          3HB       ALA  14  -3.855   5.880  -1.115
  120    H    ALA  15           H        ALA  15  -5.395   6.413   2.536
  121    HA   ALA  15           HA       ALA  15  -5.685   9.057   3.350
  122   1HB   ALA  15          3HB       ALA  15  -7.259   7.249   3.955
  123   2HB   ALA  15          1HB       ALA  15  -6.038   6.551   5.051
  124   3HB   ALA  15          2HB       ALA  15  -6.730   8.146   5.395
  125    H    LYS  16           H        LYS  16  -3.215   6.687   4.400
  126    HA   LYS  16           HA       LYS  16  -2.397   8.217   6.711
  127   1HB   LYS  16          1HB       LYS  16  -0.900   6.038   5.235
  128   2HB   LYS  16          2HB       LYS  16  -0.581   6.622   6.868
  129   1HG   LYS  16          1HG       LYS  16  -2.808   5.807   7.604
  130   2HG   LYS  16          2HG       LYS  16  -3.155   5.227   5.965
  131   1HD   LYS  16          1HD       LYS  16  -1.161   3.741   6.067
  132   2HD   LYS  16          2HD       LYS  16  -0.897   4.241   7.751
  133   1HE   LYS  16          1HE       LYS  16  -3.172   3.390   8.342
  134   2HE   LYS  16          2HE       LYS  16  -3.420   2.891   6.658
  135   1HZ   LYS  16          3HZ       LYS  16  -1.557   1.415   6.892
  136   2HZ   LYS  16          1HZ       LYS  16  -1.341   1.868   8.462
  137   3HZ   LYS  16          2HZ       LYS  16  -2.715   1.076   8.013
  138    H    GLU  17           H        GLU  17  -1.626   8.240   3.260
  139    HA   GLU  17           HA       GLU  17   0.778   9.904   3.487
  140   1HB   GLU  17          1HB       GLU  17   0.228   8.585   1.391
  141   2HB   GLU  17          2HB       GLU  17  -1.194   9.607   1.163
  142   1HG   GLU  17          1HG       GLU  17   0.400  11.622   1.159
  143   2HG   GLU  17          2HG       GLU  17   1.712  10.448   1.034
  144    H    GLY  18           H        GLY  18  -2.686  10.248   2.924
  145   1HA   GLY  18          1HA       GLY  18  -3.674  12.111   4.420
  146   2HA   GLY  18          2HA       GLY  18  -2.622  13.197   3.490
  147    H    ASP  19           H        ASP  19  -2.703  12.364   0.974
  148    HA   ASP  19           HA       ASP  19  -5.368  13.071   0.091
  149   1HB   ASP  19          1HB       ASP  19  -3.482  13.896  -1.153
  150   2HB   ASP  19          2HB       ASP  19  -2.864  12.255  -1.404
  151    HA   PRO  20           HA       PRO  20  -6.417   8.610   0.443
  152   1HB   PRO  20          1HB       PRO  20  -8.949   8.753  -0.683
  153   2HB   PRO  20          2HB       PRO  20  -8.577   9.084   1.043
  154   1HG   PRO  20          1HG       PRO  20  -8.909  11.031  -1.250
  155   2HG   PRO  20          2HG       PRO  20  -9.582  11.160   0.402
  156   1HD   PRO  20          1HD       PRO  20  -7.380  12.502  -0.314
  157   2HD   PRO  20          2HD       PRO  20  -7.462  11.738   1.301
  158    H    ASN  21           H        ASN  21  -6.457  10.625  -2.433
  159    HA   ASN  21           HA       ASN  21  -6.943   8.492  -4.331
  160   1HB   ASN  21          1HB       ASN  21  -5.932  11.322  -4.748
  161   2HB   ASN  21          2HB       ASN  21  -6.573  10.234  -5.972
  162   1HD2  ASN  21          1HD2      ASN  21  -9.111  12.421  -3.674
  163   2HD2  ASN  21          2HD2      ASN  21  -7.370  12.468  -3.406
  164    H    GLN  22           H        GLN  22  -4.112   9.270  -2.524
  165    HA   GLN  22           HA       GLN  22  -2.352   8.215  -4.690
  166   1HB   GLN  22          1HB       GLN  22  -2.615  10.647  -4.844
  167   2HB   GLN  22          2HB       GLN  22  -1.995  10.829  -3.203
  168   1HG   GLN  22          1HG       GLN  22   0.193  10.081  -3.895
  169   2HG   GLN  22          2HG       GLN  22  -0.431   9.447  -5.432
  170   1HE2  GLN  22          1HE2      GLN  22   0.654  13.343  -5.264
  171   2HE2  GLN  22          2HE2      GLN  22   0.939  12.260  -3.910
  172    H    LEU  23           H        LEU  23  -0.790   6.830  -4.028
  173    HA   LEU  23           HA       LEU  23  -0.269   6.451  -1.136
  174   1HB   LEU  23          1HB       LEU  23   0.303   4.766  -3.588
  175   2HB   LEU  23          2HB       LEU  23   0.787   4.391  -1.953
  176    HG   LEU  23           HG       LEU  23  -2.131   4.711  -2.728
  177   1HD1  LEU  23          3HD1      LEU  23  -1.037   2.897  -4.063
  178   2HD1  LEU  23          1HD1      LEU  23  -0.405   2.205  -2.559
  179   3HD1  LEU  23          2HD1      LEU  23  -2.152   2.224  -2.849
  180   1HD2  LEU  23          1HD2      LEU  23  -1.527   4.794  -0.273
  181   2HD2  LEU  23          2HD2      LEU  23  -2.562   3.425  -0.711
  182   3HD2  LEU  23          3HD2      LEU  23  -0.829   3.172  -0.435
  183    H    SER  24           H        SER  24   1.722   7.004  -0.340
  184    HA   SER  24           HA       SER  24   3.934   7.859  -2.047
  185   1HB   SER  24          1HB       SER  24   5.049   8.252   0.076
  186   2HB   SER  24          2HB       SER  24   3.383   8.819   0.232
  187    HG   SER  24           HG       SER  24   3.389   7.515   1.912
  188    H    LYS  25           H        LYS  25   6.161   6.741  -1.446
  189    HA   LYS  25           HA       LYS  25   6.143   3.979  -2.068
  190   1HB   LYS  25          1HB       LYS  25   8.183   5.699  -0.538
  191   2HB   LYS  25          2HB       LYS  25   8.470   4.016  -0.994
  192   1HG   LYS  25          1HG       LYS  25   8.197   4.583  -3.369
  193   2HG   LYS  25          2HG       LYS  25   7.986   6.295  -2.937
  194   1HD   LYS  25          1HD       LYS  25  10.250   6.305  -1.914
  195   2HD   LYS  25          2HD       LYS  25  10.450   4.591  -2.336
  196   1HE   LYS  25          1HE       LYS  25  10.210   5.146  -4.744
  197   2HE   LYS  25          2HE       LYS  25   9.994   6.857  -4.334
  198   1HZ   LYS  25          3HZ       LYS  25  12.196   6.832  -3.393
  199   2HZ   LYS  25          1HZ       LYS  25  12.399   5.248  -3.806
  200   3HZ   LYS  25          2HZ       LYS  25  12.223   6.390  -4.979
  201    H    GLU  26           H        GLU  26   6.181   5.701   1.064
  202    HA   GLU  26           HA       GLU  26   6.522   3.325   2.620
  203   1HB   GLU  26          1HB       GLU  26   7.026   5.730   3.336
  204   2HB   GLU  26          2HB       GLU  26   5.278   5.978   3.489
  205   1HG   GLU  26          1HG       GLU  26   6.244   5.468   5.634
  206   2HG   GLU  26          2HG       GLU  26   5.184   4.140   5.178
  207    H    GLU  27           H        GLU  27   3.656   5.219   1.742
  208    HA   GLU  27           HA       GLU  27   1.810   3.477   3.084
  209   1HB   GLU  27          1HB       GLU  27   1.532   5.458   0.837
  210   2HB   GLU  27          2HB       GLU  27   0.210   4.352   1.226
  211   1HG   GLU  27          1HG       GLU  27  -0.104   6.437   2.443
  212   2HG   GLU  27          2HG       GLU  27   0.115   5.046   3.506
  213    H    LEU  28           H        LEU  28   3.108   3.291  -0.344
  214    HA   LEU  28           HA       LEU  28   1.812   0.808  -0.868
  215   1HB   LEU  28          1HB       LEU  28   4.394   2.072  -1.840
  216   2HB   LEU  28          2HB       LEU  28   3.974   0.423  -2.331
  217    HG   LEU  28           HG       LEU  28   1.984   2.636  -2.514
  218   1HD1  LEU  28          1HD1      LEU  28   4.150   1.964  -4.527
  219   2HD1  LEU  28          2HD1      LEU  28   2.689   2.897  -4.922
  220   3HD1  LEU  28          3HD1      LEU  28   3.824   3.525  -3.711
  221   1HD2  LEU  28          1HD2      LEU  28   1.181   0.260  -2.910
  222   2HD2  LEU  28          2HD2      LEU  28   1.067   1.221  -4.390
  223   3HD2  LEU  28          3HD2      LEU  28   2.407   0.083  -4.175
  224    H    LYS  29           H        LYS  29   4.872   1.403   0.856
  225    HA   LYS  29           HA       LYS  29   5.508  -1.382   0.934
  226   1HB   LYS  29          1HB       LYS  29   6.998   0.611   1.570
  227   2HB   LYS  29          2HB       LYS  29   6.087   0.773   3.043
  228   1HG   LYS  29          1HG       LYS  29   6.726  -1.590   3.677
  229   2HG   LYS  29          2HG       LYS  29   7.732  -1.671   2.218
  230   1HD   LYS  29          1HD       LYS  29   9.077   0.251   3.054
  231   2HD   LYS  29          2HD       LYS  29   8.064   0.342   4.502
  232   1HE   LYS  29          1HE       LYS  29   9.773  -2.065   3.697
  233   2HE   LYS  29          2HE       LYS  29  10.208  -0.851   4.909
  234   1HZ   LYS  29          3HZ       LYS  29   8.269  -1.496   6.160
  235   2HZ   LYS  29          1HZ       LYS  29   7.904  -2.669   5.064
  236   3HZ   LYS  29          2HZ       LYS  29   9.290  -2.767   5.937
  237    H    LEU  30           H        LEU  30   3.827   0.673   3.281
  238    HA   LEU  30           HA       LEU  30   3.126  -1.430   5.076
  239   1HB   LEU  30          1HB       LEU  30   2.028   1.328   4.525
  240   2HB   LEU  30          2HB       LEU  30   1.047   0.214   5.474
  241    HG   LEU  30           HG       LEU  30   2.788  -0.111   7.118
  242   1HD1  LEU  30          1HD1      LEU  30   4.396   1.916   5.517
  243   2HD1  LEU  30          2HD1      LEU  30   4.813   1.325   7.135
  244   3HD1  LEU  30          3HD1      LEU  30   4.829   0.211   5.763
  245   1HD2  LEU  30          1HD2      LEU  30   1.146   1.718   7.389
  246   2HD2  LEU  30          2HD2      LEU  30   2.708   2.148   8.105
  247   3HD2  LEU  30          3HD2      LEU  30   2.235   2.832   6.536
  248    H    LEU  31           H        LEU  31   1.260  -0.169   2.345
  249    HA   LEU  31           HA       LEU  31  -0.967  -1.874   2.473
  250   1HB   LEU  31          1HB       LEU  31  -0.659   0.054   0.972
  251   2HB   LEU  31          2HB       LEU  31   0.484  -0.851  -0.006
  252    HG   LEU  31           HG       LEU  31  -2.383  -1.726   0.425
  253   1HD1  LEU  31          1HD1      LEU  31  -1.188  -0.007  -1.795
  254   2HD1  LEU  31          2HD1      LEU  31  -2.842  -0.641  -1.795
  255   3HD1  LEU  31          3HD1      LEU  31  -2.353   0.537  -0.568
  256   1HD2  LEU  31          3HD2      LEU  31  -0.300  -2.460  -1.685
  257   2HD2  LEU  31          1HD2      LEU  31  -1.086  -3.560  -0.529
  258   3HD2  LEU  31          2HD2      LEU  31  -2.025  -2.843  -1.829
  259    H    LEU  32           H        LEU  32   2.075  -2.365   0.734
  260    HA   LEU  32           HA       LEU  32   1.455  -4.978  -0.263
  261   1HB   LEU  32          1HB       LEU  32   4.100  -3.562   0.324
  262   2HB   LEU  32          2HB       LEU  32   4.013  -5.121  -0.494
  263    HG   LEU  32           HG       LEU  32   2.501  -2.737  -1.609
  264   1HD1  LEU  32          3HD1      LEU  32   4.916  -2.094  -1.350
  265   2HD1  LEU  32          1HD1      LEU  32   5.372  -3.544  -2.266
  266   3HD1  LEU  32          2HD1      LEU  32   4.415  -2.257  -3.038
  267   1HD2  LEU  32          3HD2      LEU  32   3.670  -5.279  -2.811
  268   2HD2  LEU  32          1HD2      LEU  32   1.944  -4.972  -2.497
  269   3HD2  LEU  32          2HD2      LEU  32   2.815  -4.009  -3.705
  270    H    GLN  33           H        GLN  33   3.309  -3.918   2.618
  271    HA   GLN  33           HA       GLN  33   4.104  -6.443   3.523
  272   1HB   GLN  33          1HB       GLN  33   4.956  -4.213   4.290
  273   2HB   GLN  33          2HB       GLN  33   3.455  -3.975   5.197
  274   1HG   GLN  33          1HG       GLN  33   4.024  -5.964   6.591
  275   2HG   GLN  33          2HG       GLN  33   5.472  -6.229   5.604
  276   1HE2  GLN  33          1HE2      GLN  33   5.399  -3.120   8.319
  277   2HE2  GLN  33          2HE2      GLN  33   3.895  -3.867   7.814
  278    H    THR  34           H        THR  34   1.154  -4.605   4.256
  279    HA   THR  34           HA       THR  34   0.230  -6.629   6.141
  280    HB   THR  34           HB       THR  34  -1.587  -4.614   4.837
  281    HG1  THR  34           HG1      THR  34   0.308  -3.498   5.560
  282   1HG2  THR  34          3HG2      THR  34  -2.537  -6.304   6.417
  283   2HG2  THR  34          1HG2      THR  34  -1.412  -5.741   7.669
  284   3HG2  THR  34          2HG2      THR  34  -2.677  -4.662   7.058
  285    H    GLU  35           H        GLU  35  -0.747  -5.680   2.780
  286    HA   GLU  35           HA       GLU  35  -2.807  -7.755   2.789
  287   1HB   GLU  35          1HB       GLU  35  -2.096  -5.502   0.850
  288   2HB   GLU  35          2HB       GLU  35  -3.487  -6.577   0.718
  289   1HG   GLU  35          1HG       GLU  35  -2.844  -4.560   2.931
  290   2HG   GLU  35          2HG       GLU  35  -4.093  -4.417   1.715
  291    H    PHE  36           H        PHE  36   0.384  -7.301   1.396
  292    HA   PHE  36           HA       PHE  36   0.137  -9.872  -0.046
  293   1HB   PHE  36          1HB       PHE  36   0.944  -7.218  -1.317
  294   2HB   PHE  36          2HB       PHE  36   1.059  -8.794  -2.070
  295    HD1  PHE  36           HD1      PHE  36  -1.130 -10.233  -2.212
  296    HD2  PHE  36           HD2      PHE  36  -1.021  -5.944  -1.779
  297    HE1  PHE  36           HE1      PHE  36  -3.271 -10.063  -3.453
  298    HE2  PHE  36           HE2      PHE  36  -3.139  -5.782  -3.149
  299    HZ   PHE  36           HZ       PHE  36  -4.238  -7.863  -3.956
  300    HA   PRO  37           HA       PRO  37   4.223  -8.861   2.082
  301   1HB   PRO  37          1HB       PRO  37   4.389 -11.115   3.680
  302   2HB   PRO  37          2HB       PRO  37   3.605  -9.588   4.162
  303   1HG   PRO  37          1HG       PRO  37   2.285 -12.073   3.061
  304   2HG   PRO  37          2HG       PRO  37   1.775 -11.080   4.458
  305   1HD   PRO  37          1HD       PRO  37   0.635 -10.809   2.007
  306   2HD   PRO  37          2HD       PRO  37   0.910  -9.379   3.027
  307    H    SER  38           H        SER  38   2.826 -11.818   0.652
  308    HA   SER  38           HA       SER  38   5.174 -13.275   0.153
  309   1HB   SER  38          1HB       SER  38   2.716 -13.232  -1.639
  310   2HB   SER  38          2HB       SER  38   3.736 -14.610  -1.189
  311    HG   SER  38           HG       SER  38   2.907 -14.373   0.956
  312    H    LEU  39           H        LEU  39   3.538 -10.654  -1.571
  313    HA   LEU  39           HA       LEU  39   5.283 -10.811  -3.930
  314   1HB   LEU  39          1HB       LEU  39   3.033  -9.019  -3.018
  315   2HB   LEU  39          2HB       LEU  39   3.922  -8.728  -4.527
  316    HG   LEU  39           HG       LEU  39   2.297 -11.232  -3.874
  317   1HD1  LEU  39          1HD1      LEU  39   1.779  -8.902  -5.768
  318   2HD1  LEU  39          2HD1      LEU  39   0.765 -10.358  -5.631
  319   3HD1  LEU  39          3HD1      LEU  39   0.885  -9.233  -4.274
  320   1HD2  LEU  39          3HD2      LEU  39   3.801 -10.409  -6.400
  321   2HD2  LEU  39          1HD2      LEU  39   4.084 -11.863  -5.415
  322   3HD2  LEU  39          2HD2      LEU  39   2.593 -11.708  -6.338
  323    H    LEU  40           H        LEU  40   4.821  -8.792  -1.041
  324    HA   LEU  40           HA       LEU  40   6.723  -6.818  -1.678
  325   1HB   LEU  40          1HB       LEU  40   5.264  -6.747   0.350
  326   2HB   LEU  40          2HB       LEU  40   6.218  -8.044   1.063
  327    HG   LEU  40           HG       LEU  40   8.216  -6.643   1.143
  328   1HD1  LEU  40          1HD1      LEU  40   6.469  -4.483  -0.124
  329   2HD1  LEU  40          2HD1      LEU  40   8.037  -4.185   0.652
  330   3HD1  LEU  40          3HD1      LEU  40   7.960  -5.178  -0.802
  331   1HD2  LEU  40          1HD2      LEU  40   6.570  -6.585   3.009
  332   2HD2  LEU  40          2HD2      LEU  40   7.465  -5.063   2.845
  333   3HD2  LEU  40          3HD2      LEU  40   5.800  -5.173   2.244
  334    H    LYS  41           H        LYS  41   7.181 -10.019  -0.216
  335    HA   LYS  41           HA       LYS  41  10.082  -9.911  -0.213
  336   1HB   LYS  41          1HB       LYS  41   8.065 -12.190  -0.053
  337   2HB   LYS  41          2HB       LYS  41   9.815 -12.380   0.121
  338   1HG   LYS  41          1HG       LYS  41   9.824 -10.880   2.064
  339   2HG   LYS  41          2HG       LYS  41   8.083 -10.592   1.888
  340   1HD   LYS  41          1HD       LYS  41   7.653 -13.032   2.190
  341   2HD   LYS  41          2HD       LYS  41   9.381 -13.294   2.479
  342   1HE   LYS  41          1HE       LYS  41   7.524 -11.522   4.148
  343   2HE   LYS  41          2HE       LYS  41   8.075 -13.146   4.589
  344   1HZ   LYS  41          3HZ       LYS  41  10.320 -12.319   4.595
  345   2HZ   LYS  41          1HZ       LYS  41   9.800 -10.800   4.220
  346   3HZ   LYS  41          2HZ       LYS  41   9.376 -11.484   5.656
  347    H    GLY  42           H        GLY  42   7.823 -11.846  -2.171
  348   1HA   GLY  42          1HA       GLY  42   9.869 -12.464  -4.162
  349   2HA   GLY  42          2HA       GLY  42   8.182 -12.998  -4.127
  350    H    GLY  43           H        GLY  43  10.039  -9.905  -4.506
  351   1HA   GLY  43          1HA       GLY  43   8.906  -9.442  -7.138
  352   2HA   GLY  43          2HA       GLY  43   8.177  -8.409  -5.885
  353    H    SER  44           H        SER  44   9.475  -7.098  -7.858
  354    HA   SER  44           HA       SER  44  12.174  -6.518  -7.566
  355   1HB   SER  44          1HB       SER  44  10.042  -4.439  -8.152
  356   2HB   SER  44          2HB       SER  44  11.629  -4.660  -8.923
  357    HG   SER  44           HG       SER  44   9.881  -5.423 -10.241
  358    H    THR  45           H        THR  45  13.122  -4.439  -6.603
  359    HA   THR  45           HA       THR  45  12.422  -4.181  -3.836
  360    HB   THR  45           HB       THR  45  13.881  -2.208  -3.823
  361    HG1  THR  45           HG1      THR  45  14.098  -2.584  -6.613
  362   1HG2  THR  45          3HG2      THR  45  14.939  -4.441  -3.751
  363   2HG2  THR  45          1HG2      THR  45  15.074  -4.455  -5.518
  364   3HG2  THR  45          2HG2      THR  45  15.963  -3.248  -4.571
  365    H    LEU  46           H        LEU  46  11.457  -2.367  -2.753
  366    HA   LEU  46           HA       LEU  46   9.011  -1.522  -3.705
  367   1HB   LEU  46          1HB       LEU  46   9.714  -1.392  -1.341
  368   2HB   LEU  46          2HB       LEU  46  10.948  -0.192  -1.752
  369    HG   LEU  46           HG       LEU  46   9.174   1.439  -2.362
  370   1HD1  LEU  46          1HD1      LEU  46   7.276  -0.716  -1.301
  371   2HD1  LEU  46          2HD1      LEU  46   6.830   0.965  -1.656
  372   3HD1  LEU  46          3HD1      LEU  46   7.331  -0.104  -2.970
  373   1HD2  LEU  46          3HD2      LEU  46   9.016   0.203   0.415
  374   2HD2  LEU  46          1HD2      LEU  46  10.162   1.442  -0.134
  375   3HD2  LEU  46          2HD2      LEU  46   8.439   1.828  -0.013
  376    H    ASP  47           H        ASP  47  12.089   0.234  -3.926
  377    HA   ASP  47           HA       ASP  47  11.142   2.534  -5.221
  378   1HB   ASP  47          1HB       ASP  47  13.844   1.130  -5.470
  379   2HB   ASP  47          2HB       ASP  47  13.493   2.788  -5.963
  380    H    GLU  48           H        GLU  48  12.499  -0.419  -6.690
  381    HA   GLU  48           HA       GLU  48  12.077   0.344  -9.399
  382   1HB   GLU  48          1HB       GLU  48  12.060  -2.383  -8.057
  383   2HB   GLU  48          2HB       GLU  48  11.953  -2.177  -9.810
  384   1HG   GLU  48          1HG       GLU  48  14.118  -1.163  -9.955
  385   2HG   GLU  48          2HG       GLU  48  14.282  -1.055  -8.202
  386    H    LEU  49           H        LEU  49   9.917  -1.361  -7.137
  387    HA   LEU  49           HA       LEU  49   7.846  -1.770  -9.047
  388   1HB   LEU  49          1HB       LEU  49   8.013  -2.990  -6.905
  389   2HB   LEU  49          2HB       LEU  49   7.669  -1.499  -6.021
  390    HG   LEU  49           HG       LEU  49   5.411  -1.394  -7.013
  391   1HD1  LEU  49          1HD1      LEU  49   6.247  -3.962  -8.440
  392   2HD1  LEU  49          2HD1      LEU  49   4.568  -3.425  -8.271
  393   3HD1  LEU  49          3HD1      LEU  49   5.704  -2.444  -9.192
  394   1HD2  LEU  49          1HD2      LEU  49   5.830  -2.648  -4.910
  395   2HD2  LEU  49          2HD2      LEU  49   4.475  -3.325  -5.834
  396   3HD2  LEU  49          3HD2      LEU  49   6.054  -4.137  -5.849
  397    H    PHE  50           H        PHE  50   8.433   0.825  -6.694
  398    HA   PHE  50           HA       PHE  50   6.128   2.379  -7.161
  399   1HB   PHE  50          1HB       PHE  50   7.814   2.650  -5.331
  400   2HB   PHE  50          2HB       PHE  50   8.958   3.294  -6.493
  401    HD1  PHE  50           HD1      PHE  50   5.724   3.822  -4.804
  402    HD2  PHE  50           HD2      PHE  50   8.732   5.652  -7.272
  403    HE1  PHE  50           HE1      PHE  50   5.019   6.041  -3.988
  404    HE2  PHE  50           HE2      PHE  50   8.033   7.894  -6.445
  405    HZ   PHE  50           HZ       PHE  50   6.327   8.066  -4.655
  406    H    GLU  51           H        GLU  51   9.356   2.496  -8.754
  407    HA   GLU  51           HA       GLU  51   8.684   4.558 -10.606
  408   1HB   GLU  51          1HB       GLU  51  10.689   2.263 -10.723
  409   2HB   GLU  51          2HB       GLU  51  10.660   3.594 -11.889
  410   1HG   GLU  51          1HG       GLU  51  11.260   5.218 -10.259
  411   2HG   GLU  51          2HG       GLU  51  10.906   4.149  -8.902
  412    H    GLU  52           H        GLU  52   8.450   1.028 -10.819
  413    HA   GLU  52           HA       GLU  52   7.573   0.801 -13.473
  414   1HB   GLU  52          1HB       GLU  52   8.147  -1.100 -11.897
  415   2HB   GLU  52          2HB       GLU  52   6.546  -0.889 -11.165
  416   1HG   GLU  52          1HG       GLU  52   5.502  -1.308 -13.407
  417   2HG   GLU  52          2HG       GLU  52   7.118  -1.657 -14.044
  418    H    LEU  53           H        LEU  53   5.684   1.537 -10.544
  419    HA   LEU  53           HA       LEU  53   3.171   1.738 -11.991
  420   1HB   LEU  53          1HB       LEU  53   3.944   2.657  -9.205
  421   2HB   LEU  53          2HB       LEU  53   2.310   2.518  -9.858
  422    HG   LEU  53           HG       LEU  53   4.254   0.215  -9.408
  423   1HD1  LEU  53          3HD1      LEU  53   3.297   1.226  -7.342
  424   2HD1  LEU  53          1HD1      LEU  53   1.672   0.840  -7.964
  425   3HD1  LEU  53          2HD1      LEU  53   2.832  -0.460  -7.614
  426   1HD2  LEU  53          3HD2      LEU  53   1.394   0.098 -10.380
  427   2HD2  LEU  53          1HD2      LEU  53   2.852  -0.325 -11.321
  428   3HD2  LEU  53          2HD2      LEU  53   2.424  -1.283  -9.916
  429    H    ASP  54           H        ASP  54   5.167   4.214 -10.374
  430    HA   ASP  54           HA       ASP  54   3.979   6.313 -12.157
  431   1HB   ASP  54          1HB       ASP  54   3.396   6.601  -9.804
  432   2HB   ASP  54          2HB       ASP  54   5.097   6.505  -9.333
  433    H    LYS  55           H        LYS  55   5.472   6.152 -13.824
  434    HA   LYS  55           HA       LYS  55   8.217   5.727 -13.428
  435   1HB   LYS  55          1HB       LYS  55   6.738   6.986 -15.781
  436   2HB   LYS  55          2HB       LYS  55   8.467   6.637 -15.772
  437   1HG   LYS  55          1HG       LYS  55   7.418   4.864 -16.899
  438   2HG   LYS  55          2HG       LYS  55   7.996   4.230 -15.352
  439   1HD   LYS  55          1HD       LYS  55   5.779   4.100 -14.458
  440   2HD   LYS  55          2HD       LYS  55   5.115   5.154 -15.732
  441   1HE   LYS  55          1HE       LYS  55   4.468   2.848 -16.139
  442   2HE   LYS  55          2HE       LYS  55   5.553   3.404 -17.427
  443   1HZ   LYS  55          3HZ       LYS  55   7.343   2.276 -16.221
  444   2HZ   LYS  55          1HZ       LYS  55   6.234   1.730 -15.119
  445   3HZ   LYS  55          2HZ       LYS  55   6.146   1.238 -16.689
  446    H    ASN  56           H        ASN  56   6.655   8.713 -14.394
  447    HA   ASN  56           HA       ASN  56   8.100  10.299 -12.415
  448   1HB   ASN  56          1HB       ASN  56   9.023  11.873 -14.005
  449   2HB   ASN  56          2HB       ASN  56   9.675  10.274 -14.374
  450   1HD2  ASN  56          1HD2      ASN  56   8.571  12.023 -17.547
  451   2HD2  ASN  56          2HD2      ASN  56   9.618  12.499 -16.220
  452    H    GLY  57           H        GLY  57   5.405   9.369 -12.840
  453   1HA   GLY  57          1HA       GLY  57   3.878  11.179 -14.458
  454   2HA   GLY  57          2HA       GLY  57   3.221  10.059 -13.259
  455    H    ASP  58           H        ASP  58   3.454  10.749 -10.920
  456    HA   ASP  58           HA       ASP  58   3.536  13.697 -10.537
  457   1HB   ASP  58          1HB       ASP  58   1.750  13.445  -9.039
  458   2HB   ASP  58          2HB       ASP  58   1.245  12.777 -10.592
  459    H    GLY  59           H        GLY  59   5.192  10.857  -9.793
  460   1HA   GLY  59          1HA       GLY  59   7.010  10.706  -8.398
  461   2HA   GLY  59          2HA       GLY  59   6.549  12.191  -7.562
  462    H    GLU  60           H        GLU  60   3.808  10.225  -7.724
  463    HA   GLU  60           HA       GLU  60   4.316   8.348  -5.562
  464   1HB   GLU  60          1HB       GLU  60   2.294  10.608  -5.344
  465   2HB   GLU  60          2HB       GLU  60   2.347   9.182  -4.295
  466   1HG   GLU  60          1HG       GLU  60   4.738   9.866  -3.691
  467   2HG   GLU  60          2HG       GLU  60   4.398  11.413  -4.486
  468    H    VAL  61           H        VAL  61   2.086   7.158  -5.285
  469    HA   VAL  61           HA       VAL  61   1.385   6.413  -8.106
  470    HB   VAL  61           HB       VAL  61   1.644   4.827  -5.557
  471   1HG1  VAL  61          3HG1      VAL  61  -0.222   3.932  -6.936
  472   2HG1  VAL  61          1HG1      VAL  61   0.867   3.837  -8.337
  473   3HG1  VAL  61          2HG1      VAL  61   1.161   2.841  -6.898
  474   1HG2  VAL  61          3HG2      VAL  61   3.183   4.834  -8.202
  475   2HG2  VAL  61          1HG2      VAL  61   3.792   5.444  -6.654
  476   3HG2  VAL  61          2HG2      VAL  61   3.484   3.717  -6.870
  477    H    SER  62           H        SER  62  -0.505   7.344  -8.645
  478    HA   SER  62           HA       SER  62  -2.752   7.460  -6.772
  479   1HB   SER  62          1HB       SER  62  -3.928   8.520  -8.686
  480   2HB   SER  62          2HB       SER  62  -2.454   9.353  -8.179
  481    HG   SER  62           HG       SER  62  -1.373   8.533  -9.946
  482    H    PHE  63           H        PHE  63  -4.876   6.510  -7.322
  483    HA   PHE  63           HA       PHE  63  -4.766   3.789  -7.431
  484   1HB   PHE  63          1HB       PHE  63  -6.693   5.085  -6.668
  485   2HB   PHE  63          2HB       PHE  63  -7.140   5.421  -8.339
  486    HD1  PHE  63           HD1      PHE  63  -6.325   2.500  -6.080
  487    HD2  PHE  63           HD2      PHE  63  -8.747   3.952  -9.337
  488    HE1  PHE  63           HE1      PHE  63  -7.629   0.410  -6.037
  489    HE2  PHE  63           HE2      PHE  63 -10.043   1.847  -9.296
  490    HZ   PHE  63           HZ       PHE  63  -9.502   0.072  -7.625
  491    H    GLU  64           H        GLU  64  -5.543   5.891 -10.183
  492    HA   GLU  64           HA       GLU  64  -6.033   4.007 -12.145
  493   1HB   GLU  64          1HB       GLU  64  -5.513   5.818 -13.746
  494   2HB   GLU  64          2HB       GLU  64  -6.525   6.366 -12.405
  495   1HG   GLU  64          1HG       GLU  64  -4.460   7.331 -11.295
  496   2HG   GLU  64          2HG       GLU  64  -3.519   6.846 -12.710
  497    H    GLU  65           H        GLU  65  -2.873   4.866 -10.865
  498    HA   GLU  65           HA       GLU  65  -1.533   3.332 -13.062
  499   1HB   GLU  65          1HB       GLU  65   0.568   4.324 -12.194
  500   2HB   GLU  65          2HB       GLU  65  -0.568   5.444 -12.957
  501   1HG   GLU  65          1HG       GLU  65  -1.379   6.157 -10.734
  502   2HG   GLU  65          2HG       GLU  65  -0.191   5.097  -9.957
  503    H    PHE  66           H        PHE  66  -2.199   3.390  -9.573
  504    HA   PHE  66           HA       PHE  66  -0.671   1.133  -8.755
  505   1HB   PHE  66          1HB       PHE  66  -1.745   2.340  -7.097
  506   2HB   PHE  66          2HB       PHE  66  -3.229   2.450  -7.966
  507    HD1  PHE  66           HD1      PHE  66  -1.227   0.090  -5.920
  508    HD2  PHE  66           HD2      PHE  66  -4.946   0.874  -7.916
  509    HE1  PHE  66           HE1      PHE  66  -2.314  -1.737  -4.616
  510    HE2  PHE  66           HE2      PHE  66  -5.989  -1.080  -6.804
  511    HZ   PHE  66           HZ       PHE  66  -4.691  -2.289  -4.999
  512    H    GLN  67           H        GLN  67  -3.709   1.386 -10.629
  513    HA   GLN  67           HA       GLN  67  -4.377  -1.295 -10.917
  514   1HB   GLN  67          1HB       GLN  67  -4.550   1.112 -12.670
  515   2HB   GLN  67          2HB       GLN  67  -4.692  -0.441 -13.485
  516   1HG   GLN  67          1HG       GLN  67  -6.859   0.407 -12.905
  517   2HG   GLN  67          2HG       GLN  67  -6.538  -1.118 -12.064
  518   1HE2  GLN  67          1HE2      GLN  67  -6.784   0.334  -8.807
  519   2HE2  GLN  67          2HE2      GLN  67  -6.159  -1.031  -9.714
  520    H    VAL  68           H        VAL  68  -1.476   0.192 -12.310
  521    HA   VAL  68           HA       VAL  68  -0.826  -1.975 -14.081
  522    HB   VAL  68           HB       VAL  68   0.969   0.055 -12.718
  523   1HG1  VAL  68          1HG1      VAL  68   1.523  -1.811 -15.055
  524   2HG1  VAL  68          2HG1      VAL  68   2.552  -0.444 -14.577
  525   3HG1  VAL  68          3HG1      VAL  68   2.342  -1.806 -13.476
  526   1HG2  VAL  68          1HG2      VAL  68  -0.757   1.089 -14.201
  527   2HG2  VAL  68          2HG2      VAL  68   0.864   1.235 -14.887
  528   3HG2  VAL  68          3HG2      VAL  68  -0.256   0.008 -15.515
  529    H    LEU  69           H        LEU  69  -0.520  -1.503 -10.604
  530    HA   LEU  69           HA       LEU  69   1.361  -3.651 -10.121
  531   1HB   LEU  69          1HB       LEU  69   0.548  -1.572  -8.627
  532   2HB   LEU  69          2HB       LEU  69  -0.703  -2.686  -8.104
  533    HG   LEU  69           HG       LEU  69   2.303  -2.998  -7.807
  534   1HD1  LEU  69          3HD1      LEU  69   1.107  -1.404  -6.276
  535   2HD1  LEU  69          1HD1      LEU  69   0.063  -2.738  -5.750
  536   3HD1  LEU  69          2HD1      LEU  69   1.808  -2.787  -5.423
  537   1HD2  LEU  69          3HD2      LEU  69   0.076  -4.941  -7.070
  538   2HD2  LEU  69          1HD2      LEU  69   1.451  -5.248  -8.160
  539   3HD2  LEU  69          2HD2      LEU  69   1.729  -5.034  -6.430
  540    H    VAL  70           H        VAL  70  -2.179  -3.169  -9.855
  541    HA   VAL  70           HA       VAL  70  -2.903  -5.806  -9.148
  542    HB   VAL  70           HB       VAL  70  -4.554  -3.911 -10.883
  543   1HG1  VAL  70          1HG1      VAL  70  -5.322  -6.124  -8.932
  544   2HG1  VAL  70          2HG1      VAL  70  -6.457  -5.037  -9.762
  545   3HG1  VAL  70          3HG1      VAL  70  -5.487  -6.179 -10.699
  546   1HG2  VAL  70          3HG2      VAL  70  -4.061  -3.948  -7.885
  547   2HG2  VAL  70          1HG2      VAL  70  -3.888  -2.582  -8.989
  548   3HG2  VAL  70          2HG2      VAL  70  -5.499  -3.189  -8.612
  549    H    LYS  71           H        LYS  71  -2.486  -4.329 -12.370
  550    HA   LYS  71           HA       LYS  71  -3.007  -6.579 -13.984
  551   1HB   LYS  71          1HB       LYS  71  -2.765  -4.427 -14.952
  552   2HB   LYS  71          2HB       LYS  71  -1.127  -4.230 -14.324
  553   1HG   LYS  71          1HG       LYS  71  -0.302  -6.059 -15.723
  554   2HG   LYS  71          2HG       LYS  71  -1.916  -6.293 -16.412
  555   1HD   LYS  71          1HD       LYS  71  -0.117  -3.820 -16.617
  556   2HD   LYS  71          2HD       LYS  71  -0.449  -4.980 -17.906
  557   1HE   LYS  71          1HE       LYS  71  -2.421  -3.002 -16.668
  558   2HE   LYS  71          2HE       LYS  71  -1.739  -2.968 -18.294
  559   1HZ   LYS  71          3HZ       LYS  71  -2.867  -5.027 -18.756
  560   2HZ   LYS  71          1HZ       LYS  71  -3.525  -5.045 -17.244
  561   3HZ   LYS  71          2HZ       LYS  71  -3.933  -3.853 -18.305
  562    H    LYS  72           H        LYS  72   0.167  -5.505 -12.739
  563    HA   LYS  72           HA       LYS  72   1.609  -7.791 -13.468
  564   1HB   LYS  72          1HB       LYS  72   2.017  -5.681 -11.384
  565   2HB   LYS  72          2HB       LYS  72   2.861  -7.206 -11.126
  566   1HG   LYS  72          1HG       LYS  72   4.355  -5.836 -12.326
  567   2HG   LYS  72          2HG       LYS  72   3.798  -7.091 -13.436
  568   1HD   LYS  72          1HD       LYS  72   2.094  -5.363 -14.317
  569   2HD   LYS  72          2HD       LYS  72   2.925  -4.177 -13.291
  570   1HE   LYS  72          1HE       LYS  72   5.076  -4.739 -14.505
  571   2HE   LYS  72          2HE       LYS  72   4.144  -5.793 -15.581
  572   1HZ   LYS  72          3HZ       LYS  72   2.868  -3.879 -16.236
  573   2HZ   LYS  72          1HZ       LYS  72   3.739  -2.904 -15.232
  574   3HZ   LYS  72          2HZ       LYS  72   4.474  -3.631 -16.515
  575    H    ILE  73           H        ILE  73  -0.361  -7.445 -10.529
  576    HA   ILE  73           HA       ILE  73   0.319 -10.018  -9.472
  577    HB   ILE  73           HB       ILE  73  -2.298  -8.509  -9.102
  578   1HG1  ILE  73          1HG1      ILE  73   0.283  -8.609  -7.479
  579   2HG1  ILE  73          2HG1      ILE  73  -0.364  -7.213  -8.329
  580   1HG2  ILE  73          3HG2      ILE  73  -2.481 -10.949  -8.528
  581   2HG2  ILE  73          1HG2      ILE  73  -1.093 -10.769  -7.444
  582   3HG2  ILE  73          2HG2      ILE  73  -2.622  -9.923  -7.122
  583   1HD1  ILE  73          3HD1      ILE  73  -2.374  -7.259  -6.820
  584   2HD1  ILE  73          1HD1      ILE  73  -1.534  -8.493  -5.843
  585   3HD1  ILE  73          2HD1      ILE  73  -0.833  -6.889  -6.023
  586    H    SER  74           H        SER  74  -1.833  -9.138 -12.115
  587    HA   SER  74           HA       SER  74  -3.277 -10.335 -13.420
  588   1HB   SER  74          1HB       SER  74  -0.782 -11.988 -13.089
  589   2HB   SER  74          2HB       SER  74  -2.051 -12.473 -14.241
  590    HG   SER  74           HG       SER  74  -0.925  -9.874 -14.208
  591    H    GLN  75           H        GLN  75  -4.384 -10.449 -11.040
  592    HA   GLN  75           HA       GLN  75  -4.802 -12.976  -9.834
  593   1HB   GLN  75          1HB       GLN  75  -6.744 -10.641 -10.130
  594   2HB   GLN  75          2HB       GLN  75  -6.928 -12.002  -9.012
  595   1HG   GLN  75          1HG       GLN  75  -4.749 -11.389  -7.944
  596   2HG   GLN  75          2HG       GLN  75  -4.683  -9.932  -8.959
  597   1HE2  GLN  75          1HE2      GLN  75  -7.680  -8.562  -7.271
  598   2HE2  GLN  75          2HE2      GLN  75  -7.074  -8.761  -8.915
   
  No H/Q in entry =         598
  Start of MODEL          16
 Raw file had  599 H/Q atoms
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  -9.724 -11.003  -5.133
    2   2H    LYS   1          2H        LYS   1  -8.349 -10.038  -5.224
    3   3H    LYS   1          3H        LYS   1  -8.705 -10.862  -3.802
    4    HA   LYS   1           HA       LYS   1 -10.685  -9.586  -3.506
    5   1HB   LYS   1          1HB       LYS   1  -8.140  -7.995  -4.020
    6   2HB   LYS   1          2HB       LYS   1  -9.514  -7.371  -3.102
    7   1HG   LYS   1          1HG       LYS   1  -7.890  -9.838  -2.323
    8   2HG   LYS   1          2HG       LYS   1  -7.604  -8.202  -1.713
    9   1HD   LYS   1          1HD       LYS   1  -9.945  -8.144  -0.810
   10   2HD   LYS   1          2HD       LYS   1 -10.154  -9.834  -1.313
   11   1HE   LYS   1          1HE       LYS   1  -8.250 -10.503   0.133
   12   2HE   LYS   1          2HE       LYS   1  -8.041  -8.816   0.642
   13   1HZ   LYS   1          3HZ       LYS   1 -10.248  -8.882   1.550
   14   2HZ   LYS   1          1HZ       LYS   1 -10.440 -10.450   1.083
   15   3HZ   LYS   1          2HZ       LYS   1  -9.309 -10.061   2.216
   16    H    SER   2           H        SER   2 -12.195  -8.131  -4.352
   17    HA   SER   2           HA       SER   2 -12.268  -7.827  -7.214
   18   1HB   SER   2          1HB       SER   2 -14.312  -6.505  -6.760
   19   2HB   SER   2          2HB       SER   2 -14.317  -8.030  -5.869
   20    HG   SER   2           HG       SER   2 -13.828  -6.958  -4.015
   21    HA   PRO   3           HA       PRO   3 -10.165  -3.866  -7.763
   22   1HB   PRO   3          1HB       PRO   3 -12.773  -3.090  -9.117
   23   2HB   PRO   3          2HB       PRO   3 -11.101  -2.713  -9.632
   24   1HG   PRO   3          1HG       PRO   3 -12.418  -4.774 -10.796
   25   2HG   PRO   3          2HG       PRO   3 -10.724  -5.006 -10.268
   26   1HD   PRO   3          1HD       PRO   3 -13.253  -5.884  -8.864
   27   2HD   PRO   3          2HD       PRO   3 -11.715  -6.767  -9.104
   28    H    GLU   4           H        GLU   4 -13.624  -3.838  -6.781
   29    HA   GLU   4           HA       GLU   4 -13.711  -1.358  -5.459
   30   1HB   GLU   4          1HB       GLU   4 -15.254  -3.885  -4.842
   31   2HB   GLU   4          2HB       GLU   4 -15.614  -2.241  -4.289
   32   1HG   GLU   4          1HG       GLU   4 -16.826  -2.031  -6.147
   33   2HG   GLU   4          2HG       GLU   4 -15.326  -1.788  -7.006
   34    H    GLU   5           H        GLU   5 -12.849  -4.578  -4.202
   35    HA   GLU   5           HA       GLU   5 -12.422  -3.703  -1.460
   36   1HB   GLU   5          1HB       GLU   5 -11.481  -6.107  -3.050
   37   2HB   GLU   5          2HB       GLU   5 -10.987  -5.835  -1.374
   38   1HG   GLU   5          1HG       GLU   5 -13.211  -5.994  -0.543
   39   2HG   GLU   5          2HG       GLU   5 -13.923  -5.884  -2.156
   40    H    LEU   6           H        LEU   6 -10.353  -4.142  -4.307
   41    HA   LEU   6           HA       LEU   6  -7.924  -3.348  -3.044
   42   1HB   LEU   6          1HB       LEU   6  -8.837  -3.324  -5.940
   43   2HB   LEU   6          2HB       LEU   6  -7.226  -2.900  -5.413
   44    HG   LEU   6           HG       LEU   6  -8.605  -5.618  -5.209
   45   1HD1  LEU   6          3HD1      LEU   6  -7.400  -4.984  -7.322
   46   2HD1  LEU   6          1HD1      LEU   6  -5.913  -4.818  -6.348
   47   3HD1  LEU   6          2HD1      LEU   6  -6.704  -6.396  -6.496
   48   1HD2  LEU   6          3HD2      LEU   6  -6.104  -4.683  -3.768
   49   2HD2  LEU   6          1HD2      LEU   6  -7.527  -5.513  -3.086
   50   3HD2  LEU   6          2HD2      LEU   6  -6.414  -6.392  -4.135
   51    H    LYS   7           H        LYS   7 -10.395  -1.400  -4.681
   52    HA   LYS   7           HA       LYS   7  -9.055   1.086  -4.346
   53   1HB   LYS   7          1HB       LYS   7 -11.127   0.760  -5.696
   54   2HB   LYS   7          2HB       LYS   7 -12.057   0.511  -4.235
   55   1HG   LYS   7          1HG       LYS   7 -12.370   2.763  -5.104
   56   2HG   LYS   7          2HG       LYS   7 -11.696   2.780  -3.474
   57   1HD   LYS   7          1HD       LYS   7  -9.451   3.285  -4.366
   58   2HD   LYS   7          2HD       LYS   7 -10.059   3.118  -6.026
   59   1HE   LYS   7          1HE       LYS   7 -11.541   5.054  -5.703
   60   2HE   LYS   7          2HE       LYS   7 -11.029   5.195  -4.011
   61   1HZ   LYS   7          1HZ       LYS   7  -9.284   5.479  -6.351
   62   2HZ   LYS   7          2HZ       LYS   7  -9.864   6.712  -5.420
   63   3HZ   LYS   7          3HZ       LYS   7  -8.812   5.618  -4.778
   64    H    GLY   8           H        GLY   8 -11.317  -0.637  -2.244
   65   1HA   GLY   8          1HA       GLY   8 -11.417   1.112  -0.028
   66   2HA   GLY   8          2HA       GLY   8 -11.509  -0.657   0.088
   67    H    ILE   9           H        ILE   9  -9.138  -1.544  -0.631
   68    HA   ILE   9           HA       ILE   9  -7.340  -1.226   1.526
   69    HB   ILE   9           HB       ILE   9  -7.062  -2.306  -1.271
   70   1HG1  ILE   9          1HG1      ILE   9  -8.643  -3.264   0.591
   71   2HG1  ILE   9          2HG1      ILE   9  -7.682  -4.345  -0.423
   72   1HG2  ILE   9          1HG2      ILE   9  -5.030  -2.429   0.955
   73   2HG2  ILE   9          2HG2      ILE   9  -5.036  -3.520  -0.455
   74   3HG2  ILE   9          3HG2      ILE   9  -4.822  -1.783  -0.679
   75   1HD1  ILE   9          1HD1      ILE   9  -6.861  -3.427   2.371
   76   2HD1  ILE   9          2HD1      ILE   9  -7.718  -4.937   2.007
   77   3HD1  ILE   9          3HD1      ILE   9  -6.095  -4.682   1.359
   78    H    PHE  10           H        PHE  10  -7.096  -0.001  -1.849
   79    HA   PHE  10           HA       PHE  10  -4.749   1.459  -1.677
   80   1HB   PHE  10          1HB       PHE  10  -6.052   1.078  -3.761
   81   2HB   PHE  10          2HB       PHE  10  -7.308   2.132  -3.179
   82    HD1  PHE  10           HD1      PHE  10  -7.051   4.559  -2.995
   83    HD2  PHE  10           HD2      PHE  10  -3.916   2.048  -4.574
   84    HE1  PHE  10           HE1      PHE  10  -5.886   6.541  -3.823
   85    HE2  PHE  10           HE2      PHE  10  -2.736   4.082  -5.414
   86    HZ   PHE  10           HZ       PHE  10  -3.687   6.314  -4.981
   87    H    GLU  11           H        GLU  11  -8.071   2.559  -0.881
   88    HA   GLU  11           HA       GLU  11  -7.314   5.208  -0.077
   89   1HB   GLU  11          1HB       GLU  11  -9.753   3.500   0.549
   90   2HB   GLU  11          2HB       GLU  11  -9.578   5.193   1.036
   91   1HG   GLU  11          1HG       GLU  11  -9.362   5.917  -1.282
   92   2HG   GLU  11          2HG       GLU  11  -9.401   4.250  -1.862
   93    H    LYS  12           H        LYS  12  -7.995   2.235   1.825
   94    HA   LYS  12           HA       LYS  12  -7.619   3.117   4.420
   95   1HB   LYS  12          1HB       LYS  12  -8.292   0.902   4.089
   96   2HB   LYS  12          2HB       LYS  12  -6.931   0.503   3.039
   97   1HG   LYS  12          1HG       LYS  12  -5.346   0.505   4.781
   98   2HG   LYS  12          2HG       LYS  12  -6.520   1.097   5.973
   99   1HD   LYS  12          1HD       LYS  12  -6.575  -1.575   4.472
  100   2HD   LYS  12          2HD       LYS  12  -6.049  -1.346   6.141
  101   1HE   LYS  12          1HE       LYS  12  -8.885  -1.018   5.053
  102   2HE   LYS  12          2HE       LYS  12  -8.280  -2.274   6.131
  103   1HZ   LYS  12          3HZ       LYS  12  -7.865  -0.587   7.777
  104   2HZ   LYS  12          1HZ       LYS  12  -8.462   0.582   6.777
  105   3HZ   LYS  12          2HZ       LYS  12  -9.452  -0.611   7.334
  106    H    TYR  13           H        TYR  13  -5.033   1.997   2.189
  107    HA   TYR  13           HA       TYR  13  -2.992   2.724   4.167
  108   1HB   TYR  13          1HB       TYR  13  -2.846   1.654   1.361
  109   2HB   TYR  13          2HB       TYR  13  -1.421   2.072   2.320
  110    HD1  TYR  13           HD1      TYR  13  -1.098   1.042   4.581
  111    HD2  TYR  13           HD2      TYR  13  -4.198  -0.329   1.990
  112    HE1  TYR  13           HE1      TYR  13  -1.429  -0.981   6.018
  113    HE2  TYR  13           HE2      TYR  13  -4.466  -2.366   3.276
  114    HH   TYR  13           HH       TYR  13  -3.863  -3.478   5.265
  115    H    ALA  14           H        ALA  14  -4.036   4.070   1.038
  116    HA   ALA  14           HA       ALA  14  -2.121   6.138   0.849
  117   1HB   ALA  14          3HB       ALA  14  -3.652   5.474  -0.984
  118   2HB   ALA  14          1HB       ALA  14  -5.014   6.169  -0.081
  119   3HB   ALA  14          2HB       ALA  14  -3.701   7.206  -0.681
  120    H    ALA  15           H        ALA  15  -5.212   6.150   2.575
  121    HA   ALA  15           HA       ALA  15  -5.093   8.892   3.401
  122   1HB   ALA  15          3HB       ALA  15  -7.165   7.469   3.424
  123   2HB   ALA  15          1HB       ALA  15  -6.450   6.517   4.750
  124   3HB   ALA  15          2HB       ALA  15  -6.843   8.228   5.000
  125    H    LYS  16           H        LYS  16  -3.191   6.192   4.494
  126    HA   LYS  16           HA       LYS  16  -2.992   7.027   7.244
  127   1HB   LYS  16          1HB       LYS  16  -2.614   4.708   6.350
  128   2HB   LYS  16          2HB       LYS  16  -1.090   5.271   5.643
  129   1HG   LYS  16          1HG       LYS  16  -0.400   6.007   7.987
  130   2HG   LYS  16          2HG       LYS  16  -1.822   5.146   8.594
  131   1HD   LYS  16          1HD       LYS  16   0.573   4.027   7.060
  132   2HD   LYS  16          2HD       LYS  16   0.160   3.714   8.748
  133   1HE   LYS  16          1HE       LYS  16  -1.366   2.763   6.275
  134   2HE   LYS  16          2HE       LYS  16  -0.411   1.773   7.382
  135   1HZ   LYS  16          3HZ       LYS  16  -1.966   2.317   9.118
  136   2HZ   LYS  16          1HZ       LYS  16  -2.867   3.220   8.072
  137   3HZ   LYS  16          2HZ       LYS  16  -2.726   1.595   7.844
  138    H    GLU  17           H        GLU  17  -2.638   9.286   6.829
  139    HA   GLU  17           HA       GLU  17  -1.374  11.127   7.052
  140   1HB   GLU  17          1HB       GLU  17   1.115   9.443   6.602
  141   2HB   GLU  17          2HB       GLU  17   1.051  11.132   7.114
  142   1HG   GLU  17          1HG       GLU  17  -0.176  10.484   9.171
  143   2HG   GLU  17          2HG       GLU  17  -0.120   8.782   8.683
  144    H    GLY  18           H        GLY  18  -0.654   9.028   4.299
  145   1HA   GLY  18          1HA       GLY  18  -0.038  11.172   2.445
  146   2HA   GLY  18          2HA       GLY  18  -0.535   9.518   2.049
  147    H    ASP  19           H        ASP  19  -1.617  11.248   0.424
  148    HA   ASP  19           HA       ASP  19  -4.197  12.264   1.401
  149   1HB   ASP  19          1HB       ASP  19  -2.904  13.511  -0.310
  150   2HB   ASP  19          2HB       ASP  19  -3.031  12.132  -1.415
  151    HA   PRO  20           HA       PRO  20  -6.076   8.225   0.802
  152   1HB   PRO  20          1HB       PRO  20  -8.652   8.975  -0.007
  153   2HB   PRO  20          2HB       PRO  20  -8.068   8.846   1.677
  154   1HG   PRO  20          1HG       PRO  20  -8.230  11.305  -0.071
  155   2HG   PRO  20          2HG       PRO  20  -8.712  11.141   1.644
  156   1HD   PRO  20          1HD       PRO  20  -6.377  12.256   1.007
  157   2HD   PRO  20          2HD       PRO  20  -6.413  11.080   2.348
  158    H    ASN  21           H        ASN  21  -6.113  10.602  -1.833
  159    HA   ASN  21           HA       ASN  21  -6.955   8.672  -3.850
  160   1HB   ASN  21          1HB       ASN  21  -5.864  11.500  -4.063
  161   2HB   ASN  21          2HB       ASN  21  -6.569  10.551  -5.365
  162   1HD2  ASN  21          1HD2      ASN  21  -8.985  12.481  -2.724
  163   2HD2  ASN  21          2HD2      ASN  21  -7.238  12.455  -2.501
  164    H    GLN  22           H        GLN  22  -3.923   9.175  -2.268
  165    HA   GLN  22           HA       GLN  22  -2.434   8.130  -4.607
  166   1HB   GLN  22          1HB       GLN  22  -2.675  10.563  -4.850
  167   2HB   GLN  22          2HB       GLN  22  -1.858  10.811  -3.299
  168   1HG   GLN  22          1HG       GLN  22   0.198  10.052  -4.146
  169   2HG   GLN  22          2HG       GLN  22  -0.548   9.175  -5.496
  170   1HE2  GLN  22          1HE2      GLN  22   0.503  13.010  -6.117
  171   2HE2  GLN  22          2HE2      GLN  22   0.813  12.256  -4.547
  172    H    LEU  23           H        LEU  23  -1.104   6.531  -3.960
  173    HA   LEU  23           HA       LEU  23  -0.316   6.259  -1.157
  174   1HB   LEU  23          1HB       LEU  23   0.299   4.634  -3.632
  175   2HB   LEU  23          2HB       LEU  23   0.813   4.268  -2.008
  176    HG   LEU  23           HG       LEU  23  -2.137   4.513  -2.665
  177   1HD1  LEU  23          3HD1      LEU  23  -1.104   2.842  -4.200
  178   2HD1  LEU  23          1HD1      LEU  23  -0.363   2.044  -2.798
  179   3HD1  LEU  23          2HD1      LEU  23  -2.126   2.053  -2.975
  180   1HD2  LEU  23          1HD2      LEU  23  -1.397   4.441  -0.264
  181   2HD2  LEU  23          2HD2      LEU  23  -2.393   3.051  -0.720
  182   3HD2  LEU  23          3HD2      LEU  23  -0.631   2.875  -0.561
  183    H    SER  24           H        SER  24   1.657   6.902  -0.372
  184    HA   SER  24           HA       SER  24   3.833   7.838  -2.107
  185   1HB   SER  24          1HB       SER  24   4.932   8.280   0.029
  186   2HB   SER  24          2HB       SER  24   3.264   8.851   0.135
  187    HG   SER  24           HG       SER  24   3.293   7.616   1.869
  188    H    LYS  25           H        LYS  25   6.096   6.743  -1.435
  189    HA   LYS  25           HA       LYS  25   6.053   3.958  -2.054
  190   1HB   LYS  25          1HB       LYS  25   8.160   5.669  -0.626
  191   2HB   LYS  25          2HB       LYS  25   8.393   3.977  -1.084
  192   1HG   LYS  25          1HG       LYS  25   8.004   4.549  -3.450
  193   2HG   LYS  25          2HG       LYS  25   7.862   6.267  -3.008
  194   1HD   LYS  25          1HD       LYS  25  10.204   6.171  -2.095
  195   2HD   LYS  25          2HD       LYS  25  10.293   4.465  -2.555
  196   1HE   LYS  25          1HE       LYS  25  11.412   5.743  -4.264
  197   2HE   LYS  25          2HE       LYS  25   9.906   5.121  -4.959
  198   1HZ   LYS  25          1HZ       LYS  25  10.320   7.837  -3.914
  199   2HZ   LYS  25          2HZ       LYS  25  10.272   7.405  -5.505
  200   3HZ   LYS  25          3HZ       LYS  25   8.923   7.260  -4.574
  201    H    GLU  26           H        GLU  26   6.091   5.772   0.992
  202    HA   GLU  26           HA       GLU  26   6.471   3.532   2.707
  203   1HB   GLU  26          1HB       GLU  26   4.924   6.064   3.476
  204   2HB   GLU  26          2HB       GLU  26   5.866   4.989   4.503
  205   1HG   GLU  26          1HG       GLU  26   7.255   6.762   4.298
  206   2HG   GLU  26          2HG       GLU  26   7.905   5.764   2.993
  207    H    GLU  27           H        GLU  27   3.534   5.285   1.799
  208    HA   GLU  27           HA       GLU  27   1.772   3.475   3.158
  209   1HB   GLU  27          1HB       GLU  27   1.295   5.380   0.864
  210   2HB   GLU  27          2HB       GLU  27   0.051   4.273   1.465
  211   1HG   GLU  27          1HG       GLU  27  -0.235   6.416   2.564
  212   2HG   GLU  27          2HG       GLU  27   0.194   5.149   3.715
  213    H    LEU  28           H        LEU  28   3.066   3.310  -0.272
  214    HA   LEU  28           HA       LEU  28   1.883   0.788  -0.795
  215   1HB   LEU  28          1HB       LEU  28   4.436   2.127  -1.731
  216   2HB   LEU  28          2HB       LEU  28   4.096   0.457  -2.203
  217    HG   LEU  28           HG       LEU  28   2.006   2.552  -2.438
  218   1HD1  LEU  28          1HD1      LEU  28   4.184   2.011  -4.485
  219   2HD1  LEU  28          2HD1      LEU  28   2.703   2.947  -4.792
  220   3HD1  LEU  28          3HD1      LEU  28   3.872   3.534  -3.598
  221   1HD2  LEU  28          1HD2      LEU  28   1.345   0.151  -2.856
  222   2HD2  LEU  28          2HD2      LEU  28   1.232   1.088  -4.355
  223   3HD2  LEU  28          3HD2      LEU  28   2.624   0.029  -4.076
  224    H    LYS  29           H        LYS  29   4.874   1.482   1.013
  225    HA   LYS  29           HA       LYS  29   5.627  -1.274   1.113
  226   1HB   LYS  29          1HB       LYS  29   6.982   0.819   1.683
  227   2HB   LYS  29          2HB       LYS  29   6.125   0.907   3.197
  228   1HG   LYS  29          1HG       LYS  29   7.008  -1.333   3.839
  229   2HG   LYS  29          2HG       LYS  29   7.844  -1.456   2.288
  230   1HD   LYS  29          1HD       LYS  29   9.278   0.450   2.868
  231   2HD   LYS  29          2HD       LYS  29   8.315   0.781   4.316
  232   1HE   LYS  29          1HE       LYS  29  10.396  -0.359   4.929
  233   2HE   LYS  29          2HE       LYS  29   8.994  -1.368   5.320
  234   1HZ   LYS  29          1HZ       LYS  29  10.690  -1.653   2.938
  235   2HZ   LYS  29          2HZ       LYS  29  10.744  -2.607   4.282
  236   3HZ   LYS  29          3HZ       LYS  29   9.403  -2.608   3.327
  237    H    LEU  30           H        LEU  30   3.772   0.719   3.348
  238    HA   LEU  30           HA       LEU  30   3.123  -1.426   5.165
  239   1HB   LEU  30          1HB       LEU  30   1.868   1.268   4.574
  240   2HB   LEU  30          2HB       LEU  30   0.987   0.113   5.567
  241    HG   LEU  30           HG       LEU  30   2.228   1.747   6.893
  242   1HD1  LEU  30          3HD1      LEU  30   1.648  -0.500   7.792
  243   2HD1  LEU  30          1HD1      LEU  30   3.268  -1.080   7.350
  244   3HD1  LEU  30          2HD1      LEU  30   3.085   0.214   8.541
  245   1HD2  LEU  30          1HD2      LEU  30   4.227   2.063   5.511
  246   2HD2  LEU  30          2HD2      LEU  30   4.653   1.613   7.166
  247   3HD2  LEU  30          3HD2      LEU  30   4.769   0.407   5.874
  248    H    LEU  31           H        LEU  31   1.276  -0.205   2.404
  249    HA   LEU  31           HA       LEU  31  -0.865  -2.016   2.494
  250   1HB   LEU  31          1HB       LEU  31  -0.605  -0.046   0.999
  251   2HB   LEU  31          2HB       LEU  31   0.536  -0.938   0.001
  252    HG   LEU  31           HG       LEU  31  -2.292  -1.911   0.518
  253   1HD1  LEU  31          1HD1      LEU  31  -1.270  -0.101  -1.722
  254   2HD1  LEU  31          2HD1      LEU  31  -2.887  -0.825  -1.669
  255   3HD1  LEU  31          3HD1      LEU  31  -2.417   0.365  -0.451
  256   1HD2  LEU  31          3HD2      LEU  31  -0.283  -2.491  -1.710
  257   2HD2  LEU  31          1HD2      LEU  31  -0.915  -3.652  -0.523
  258   3HD2  LEU  31          2HD2      LEU  31  -1.988  -2.978  -1.738
  259    H    LEU  32           H        LEU  32   2.226  -2.344   0.814
  260    HA   LEU  32           HA       LEU  32   1.821  -4.915  -0.275
  261   1HB   LEU  32          1HB       LEU  32   4.350  -3.422   0.507
  262   2HB   LEU  32          2HB       LEU  32   4.402  -5.008  -0.260
  263    HG   LEU  32           HG       LEU  32   2.908  -2.698  -1.561
  264   1HD1  LEU  32          3HD1      LEU  32   5.277  -2.009  -1.200
  265   2HD1  LEU  32          1HD1      LEU  32   5.815  -3.519  -1.970
  266   3HD1  LEU  32          2HD1      LEU  32   4.931  -2.300  -2.912
  267   1HD2  LEU  32          3HD2      LEU  32   4.148  -5.262  -2.647
  268   2HD2  LEU  32          1HD2      LEU  32   2.415  -4.952  -2.427
  269   3HD2  LEU  32          2HD2      LEU  32   3.333  -4.010  -3.607
  270    H    GLN  33           H        GLN  33   3.566  -4.009   2.782
  271    HA   GLN  33           HA       GLN  33   4.141  -6.682   3.541
  272   1HB   GLN  33          1HB       GLN  33   3.643  -4.166   5.169
  273   2HB   GLN  33          2HB       GLN  33   4.182  -5.681   5.901
  274   1HG   GLN  33          1HG       GLN  33   6.255  -5.688   4.737
  275   2HG   GLN  33          2HG       GLN  33   5.763  -4.380   3.650
  276   1HE2  GLN  33          1HE2      GLN  33   5.974  -1.820   6.233
  277   2HE2  GLN  33          2HE2      GLN  33   4.967  -2.361   4.878
  278    H    THR  34           H        THR  34   1.361  -4.653   4.412
  279    HA   THR  34           HA       THR  34   0.326  -6.677   6.161
  280    HB   THR  34           HB       THR  34  -1.247  -4.336   5.045
  281    HG1  THR  34           HG1      THR  34   0.632  -3.467   5.771
  282   1HG2  THR  34          1HG2      THR  34  -1.262  -5.837   7.713
  283   2HG2  THR  34          2HG2      THR  34  -2.235  -4.405   7.352
  284   3HG2  THR  34          3HG2      THR  34  -2.526  -5.914   6.465
  285    H    GLU  35           H        GLU  35  -0.601  -5.659   2.822
  286    HA   GLU  35           HA       GLU  35  -2.763  -7.649   2.804
  287   1HB   GLU  35          1HB       GLU  35  -2.028  -5.424   0.849
  288   2HB   GLU  35          2HB       GLU  35  -3.484  -6.403   0.845
  289   1HG   GLU  35          1HG       GLU  35  -2.586  -4.407   2.986
  290   2HG   GLU  35          2HG       GLU  35  -3.861  -4.174   1.802
  291    H    PHE  36           H        PHE  36   0.313  -6.983   1.160
  292    HA   PHE  36           HA       PHE  36  -0.147  -9.397  -0.558
  293   1HB   PHE  36          1HB       PHE  36   1.156  -6.799  -1.399
  294   2HB   PHE  36          2HB       PHE  36   0.886  -8.195  -2.420
  295    HD1  PHE  36           HD1      PHE  36  -2.130  -8.655  -1.580
  296    HD2  PHE  36           HD2      PHE  36   0.118  -5.159  -2.759
  297    HE1  PHE  36           HE1      PHE  36  -4.114  -7.760  -2.760
  298    HE2  PHE  36           HE2      PHE  36  -1.875  -4.300  -3.960
  299    HZ   PHE  36           HZ       PHE  36  -3.973  -5.607  -3.977
  300    HA   PRO  37           HA       PRO  37   3.933  -9.207   1.771
  301   1HB   PRO  37          1HB       PRO  37   3.815 -11.641   3.057
  302   2HB   PRO  37          2HB       PRO  37   3.133 -10.127   3.713
  303   1HG   PRO  37          1HG       PRO  37   1.665 -12.304   2.210
  304   2HG   PRO  37          2HG       PRO  37   1.185 -11.503   3.734
  305   1HD   PRO  37          1HD       PRO  37   0.167 -10.731   1.339
  306   2HD   PRO  37          2HD       PRO  37   0.553  -9.512   2.580
  307    H    SER  38           H        SER  38   2.297 -11.564  -0.256
  308    HA   SER  38           HA       SER  38   4.460 -13.315  -0.823
  309   1HB   SER  38          1HB       SER  38   2.006 -13.694  -1.341
  310   2HB   SER  38          2HB       SER  38   2.183 -12.568  -2.707
  311    HG   SER  38           HG       SER  38   2.500 -14.700  -3.389
  312    H    LEU  39           H        LEU  39   3.504 -10.141  -2.163
  313    HA   LEU  39           HA       LEU  39   5.273 -10.183  -4.415
  314   1HB   LEU  39          1HB       LEU  39   3.911  -8.055  -2.758
  315   2HB   LEU  39          2HB       LEU  39   5.093  -7.584  -3.994
  316    HG   LEU  39           HG       LEU  39   2.539  -9.177  -4.496
  317   1HD1  LEU  39          3HD1      LEU  39   2.142  -6.820  -3.858
  318   2HD1  LEU  39          1HD1      LEU  39   3.307  -6.283  -5.087
  319   3HD1  LEU  39          2HD1      LEU  39   1.789  -7.060  -5.570
  320   1HD2  LEU  39          3HD2      LEU  39   4.636  -8.051  -6.418
  321   2HD2  LEU  39          1HD2      LEU  39   4.173  -9.760  -6.236
  322   3HD2  LEU  39          2HD2      LEU  39   3.027  -8.608  -6.912
  323    H    LEU  40           H        LEU  40   5.881  -9.674  -0.976
  324    HA   LEU  40           HA       LEU  40   8.441  -8.356  -1.442
  325   1HB   LEU  40          1HB       LEU  40   7.369  -9.653   1.080
  326   2HB   LEU  40          2HB       LEU  40   8.754  -8.568   0.952
  327    HG   LEU  40           HG       LEU  40   5.845  -7.821   0.371
  328   1HD1  LEU  40          1HD1      LEU  40   7.739  -7.043   2.627
  329   2HD1  LEU  40          2HD1      LEU  40   6.101  -6.414   2.362
  330   3HD1  LEU  40          3HD1      LEU  40   6.335  -8.128   2.758
  331   1HD2  LEU  40          3HD2      LEU  40   8.404  -6.161   0.246
  332   2HD2  LEU  40          1HD2      LEU  40   7.265  -6.472  -1.086
  333   3HD2  LEU  40          2HD2      LEU  40   6.770  -5.472   0.281
  334    H    LYS  41           H        LYS  41   7.492 -11.601  -1.948
  335    HA   LYS  41           HA       LYS  41   9.879 -12.962  -1.193
  336   1HB   LYS  41          1HB       LYS  41   7.925 -13.290  -3.504
  337   2HB   LYS  41          2HB       LYS  41   9.256 -14.394  -3.198
  338   1HG   LYS  41          1HG       LYS  41   8.386 -15.064  -1.058
  339   2HG   LYS  41          2HG       LYS  41   7.192 -13.754  -1.055
  340   1HD   LYS  41          1HD       LYS  41   6.040 -14.738  -2.988
  341   2HD   LYS  41          2HD       LYS  41   7.215 -16.065  -3.053
  342   1HE   LYS  41          1HE       LYS  41   6.476 -16.927  -0.915
  343   2HE   LYS  41          2HE       LYS  41   5.531 -15.465  -0.577
  344   1HZ   LYS  41          1HZ       LYS  41   4.955 -17.354  -2.740
  345   2HZ   LYS  41          2HZ       LYS  41   4.146 -17.246  -1.306
  346   3HZ   LYS  41          3HZ       LYS  41   4.103 -15.986  -2.373
  347    H    GLY  42           H        GLY  42   9.019 -10.955  -3.976
  348   1HA   GLY  42          1HA       GLY  42  11.441  -9.737  -4.337
  349   2HA   GLY  42          2HA       GLY  42  11.660 -11.236  -5.254
  350    H    GLY  43           H        GLY  43   8.773  -9.074  -4.910
  351   1HA   GLY  43          1HA       GLY  43   8.332  -8.965  -7.795
  352   2HA   GLY  43          2HA       GLY  43   7.472  -8.086  -6.519
  353    H    SER  44           H        SER  44  10.796  -8.267  -7.818
  354    HA   SER  44           HA       SER  44  12.431  -6.762  -8.150
  355   1HB   SER  44          1HB       SER  44  10.751  -5.856  -9.805
  356   2HB   SER  44          2HB       SER  44  10.250  -4.689  -8.569
  357    HG   SER  44           HG       SER  44  11.875  -3.907 -10.022
  358    H    THR  45           H        THR  45  12.586  -4.007  -7.434
  359    HA   THR  45           HA       THR  45  12.593  -4.177  -4.446
  360    HB   THR  45           HB       THR  45  13.954  -2.247  -4.412
  361    HG1  THR  45           HG1      THR  45  14.549  -1.259  -6.467
  362   1HG2  THR  45          3HG2      THR  45  15.098  -4.387  -5.041
  363   2HG2  THR  45          1HG2      THR  45  14.975  -3.921  -6.751
  364   3HG2  THR  45          2HG2      THR  45  15.936  -2.940  -5.631
  365    H    LEU  46           H        LEU  46  11.609  -2.266  -3.270
  366    HA   LEU  46           HA       LEU  46   8.942  -1.787  -4.176
  367   1HB   LEU  46          1HB       LEU  46  10.583  -0.088  -2.247
  368   2HB   LEU  46          2HB       LEU  46   8.816  -0.291  -2.242
  369    HG   LEU  46           HG       LEU  46  11.013  -2.222  -1.465
  370   1HD1  LEU  46          3HD1      LEU  46  10.526  -0.484   0.188
  371   2HD1  LEU  46          1HD1      LEU  46   8.799  -0.900   0.154
  372   3HD1  LEU  46          2HD1      LEU  46   9.986  -2.063   0.789
  373   1HD2  LEU  46          3HD2      LEU  46   7.986  -2.701  -1.478
  374   2HD2  LEU  46          1HD2      LEU  46   9.164  -3.548  -2.504
  375   3HD2  LEU  46          2HD2      LEU  46   9.177  -3.799  -0.753
  376    H    ASP  47           H        ASP  47  11.894   0.121  -4.087
  377    HA   ASP  47           HA       ASP  47  10.883   2.482  -5.233
  378   1HB   ASP  47          1HB       ASP  47  13.689   1.285  -5.397
  379   2HB   ASP  47          2HB       ASP  47  13.265   2.963  -5.749
  380    H    GLU  48           H        GLU  48  12.400  -0.315  -6.852
  381    HA   GLU  48           HA       GLU  48  12.122   0.849  -9.462
  382   1HB   GLU  48          1HB       GLU  48  13.711  -0.974  -8.781
  383   2HB   GLU  48          2HB       GLU  48  12.351  -2.096  -8.812
  384   1HG   GLU  48          1HG       GLU  48  13.400  -0.381 -11.137
  385   2HG   GLU  48          2HG       GLU  48  13.814  -2.076 -10.873
  386    H    LEU  49           H        LEU  49  10.051  -1.346  -7.540
  387    HA   LEU  49           HA       LEU  49   8.081  -1.738  -9.542
  388   1HB   LEU  49          1HB       LEU  49   8.168  -3.077  -7.500
  389   2HB   LEU  49          2HB       LEU  49   7.819  -1.653  -6.514
  390    HG   LEU  49           HG       LEU  49   5.567  -1.474  -7.515
  391   1HD1  LEU  49          1HD1      LEU  49   6.359  -3.999  -9.040
  392   2HD1  LEU  49          2HD1      LEU  49   4.701  -3.379  -8.896
  393   3HD1  LEU  49          3HD1      LEU  49   5.918  -2.428  -9.749
  394   1HD2  LEU  49          1HD2      LEU  49   5.933  -2.809  -5.471
  395   2HD2  LEU  49          2HD2      LEU  49   4.625  -3.487  -6.456
  396   3HD2  LEU  49          3HD2      LEU  49   6.226  -4.255  -6.460
  397    H    PHE  50           H        PHE  50   8.379   0.740  -7.019
  398    HA   PHE  50           HA       PHE  50   6.082   2.279  -7.561
  399   1HB   PHE  50          1HB       PHE  50   7.610   2.513  -5.617
  400   2HB   PHE  50          2HB       PHE  50   8.835   3.201  -6.661
  401    HD1  PHE  50           HD1      PHE  50   8.485   5.513  -7.677
  402    HD2  PHE  50           HD2      PHE  50   5.718   3.774  -4.875
  403    HE1  PHE  50           HE1      PHE  50   7.725   7.785  -6.994
  404    HE2  PHE  50           HE2      PHE  50   5.110   6.018  -4.062
  405    HZ   PHE  50           HZ       PHE  50   6.274   8.025  -4.996
  406    H    GLU  51           H        GLU  51   9.397   2.456  -8.983
  407    HA   GLU  51           HA       GLU  51   8.831   4.526 -10.809
  408   1HB   GLU  51          1HB       GLU  51  11.113   3.484 -10.231
  409   2HB   GLU  51          2HB       GLU  51  10.705   2.207 -11.395
  410   1HG   GLU  51          1HG       GLU  51  10.353   4.013 -13.133
  411   2HG   GLU  51          2HG       GLU  51  10.960   5.190 -11.959
  412    H    GLU  52           H        GLU  52   8.483   1.001 -11.253
  413    HA   GLU  52           HA       GLU  52   7.541   1.047 -13.929
  414   1HB   GLU  52          1HB       GLU  52   6.663  -0.874 -11.737
  415   2HB   GLU  52          2HB       GLU  52   6.336  -1.045 -13.460
  416   1HG   GLU  52          1HG       GLU  52   8.785  -1.103 -13.926
  417   2HG   GLU  52          2HG       GLU  52   9.092  -1.020 -12.189
  418    H    LEU  53           H        LEU  53   5.663   1.387 -10.926
  419    HA   LEU  53           HA       LEU  53   3.117   1.678 -12.226
  420   1HB   LEU  53          1HB       LEU  53   4.052   2.698  -9.519
  421   2HB   LEU  53          2HB       LEU  53   2.385   2.512 -10.060
  422    HG   LEU  53           HG       LEU  53   4.380   0.251  -9.620
  423   1HD1  LEU  53          3HD1      LEU  53   3.567   1.346  -7.554
  424   2HD1  LEU  53          1HD1      LEU  53   1.896   0.997  -8.065
  425   3HD1  LEU  53          2HD1      LEU  53   3.028  -0.330  -7.716
  426   1HD2  LEU  53          3HD2      LEU  53   1.464   0.095 -10.393
  427   2HD2  LEU  53          1HD2      LEU  53   2.856  -0.380 -11.409
  428   3HD2  LEU  53          2HD2      LEU  53   2.516  -1.266  -9.928
  429    H    ASP  54           H        ASP  54   5.346   4.055 -10.856
  430    HA   ASP  54           HA       ASP  54   3.958   6.317 -12.233
  431   1HB   ASP  54          1HB       ASP  54   3.608   6.335  -9.866
  432   2HB   ASP  54          2HB       ASP  54   5.304   5.997  -9.523
  433    H    LYS  55           H        LYS  55   5.434   5.572 -14.049
  434    HA   LYS  55           HA       LYS  55   8.226   5.883 -13.890
  435   1HB   LYS  55          1HB       LYS  55   6.226   6.124 -16.158
  436   2HB   LYS  55          2HB       LYS  55   7.934   6.457 -16.455
  437   1HG   LYS  55          1HG       LYS  55   7.079   3.876 -15.114
  438   2HG   LYS  55          2HG       LYS  55   7.050   4.060 -16.868
  439   1HD   LYS  55          1HD       LYS  55   9.392   4.452 -17.032
  440   2HD   LYS  55          2HD       LYS  55   9.566   4.753 -15.304
  441   1HE   LYS  55          1HE       LYS  55  10.464   2.545 -15.955
  442   2HE   LYS  55          2HE       LYS  55   9.171   2.435 -14.757
  443   1HZ   LYS  55          1HZ       LYS  55   8.847   1.999 -17.645
  444   2HZ   LYS  55          2HZ       LYS  55   8.925   0.820 -16.495
  445   3HZ   LYS  55          3HZ       LYS  55   7.658   1.872 -16.510
  446    H    ASN  56           H        ASN  56   5.883   8.196 -15.117
  447    HA   ASN  56           HA       ASN  56   7.263  10.447 -13.817
  448   1HB   ASN  56          1HB       ASN  56   7.391  11.768 -15.829
  449   2HB   ASN  56          2HB       ASN  56   8.296  10.275 -16.103
  450   1HD2  ASN  56          1HD2      ASN  56   6.032  11.089 -19.055
  451   2HD2  ASN  56          2HD2      ASN  56   7.197  12.052 -18.161
  452    H    GLY  57           H        GLY  57   4.855   8.937 -13.339
  453   1HA   GLY  57          1HA       GLY  57   2.554  10.099 -14.596
  454   2HA   GLY  57          2HA       GLY  57   2.564   9.167 -13.089
  455    H    ASP  58           H        ASP  58   3.356  10.343 -11.135
  456    HA   ASP  58           HA       ASP  58   3.051  13.296 -11.171
  457   1HB   ASP  58          1HB       ASP  58   0.992  13.056 -10.441
  458   2HB   ASP  58          2HB       ASP  58   1.100  11.326 -10.312
  459    H    GLY  59           H        GLY  59   4.660  10.474  -9.863
  460   1HA   GLY  59          1HA       GLY  59   6.740  10.755  -8.706
  461   2HA   GLY  59          2HA       GLY  59   6.139  12.210  -7.914
  462    H    GLU  60           H        GLU  60   3.531  10.202  -7.851
  463    HA   GLU  60           HA       GLU  60   4.226   8.283  -5.753
  464   1HB   GLU  60          1HB       GLU  60   2.110  10.435  -5.513
  465   2HB   GLU  60          2HB       GLU  60   2.259   9.038  -4.439
  466   1HG   GLU  60          1HG       GLU  60   4.540   9.881  -3.776
  467   2HG   GLU  60          2HG       GLU  60   4.195  11.362  -4.690
  468    H    VAL  61           H        VAL  61   2.018   7.067  -5.368
  469    HA   VAL  61           HA       VAL  61   1.225   6.270  -8.140
  470    HB   VAL  61           HB       VAL  61   1.466   4.738  -5.557
  471   1HG1  VAL  61          3HG1      VAL  61  -0.351   3.857  -7.103
  472   2HG1  VAL  61          1HG1      VAL  61   0.909   3.607  -8.330
  473   3HG1  VAL  61          2HG1      VAL  61   0.977   2.738  -6.787
  474   1HG2  VAL  61          3HG2      VAL  61   3.096   4.755  -8.148
  475   2HG2  VAL  61          1HG2      VAL  61   3.649   5.328  -6.567
  476   3HG2  VAL  61          2HG2      VAL  61   3.344   3.610  -6.830
  477    H    SER  62           H        SER  62  -0.642   7.375  -8.595
  478    HA   SER  62           HA       SER  62  -2.845   7.531  -6.687
  479   1HB   SER  62          1HB       SER  62  -4.052   8.607  -8.483
  480   2HB   SER  62          2HB       SER  62  -2.449   9.327  -8.296
  481    HG   SER  62           HG       SER  62  -1.765   8.259 -10.126
  482    H    PHE  63           H        PHE  63  -5.078   6.703  -7.465
  483    HA   PHE  63           HA       PHE  63  -4.949   3.941  -7.312
  484   1HB   PHE  63          1HB       PHE  63  -6.878   5.233  -6.589
  485   2HB   PHE  63          2HB       PHE  63  -7.309   5.576  -8.269
  486    HD1  PHE  63           HD1      PHE  63  -6.507   2.631  -6.044
  487    HD2  PHE  63           HD2      PHE  63  -8.904   4.114  -9.306
  488    HE1  PHE  63           HE1      PHE  63  -7.723   0.488  -6.118
  489    HE2  PHE  63           HE2      PHE  63 -10.149   1.972  -9.346
  490    HZ   PHE  63           HZ       PHE  63  -9.596   0.173  -7.704
  491    H    GLU  64           H        GLU  64  -5.442   5.885 -10.295
  492    HA   GLU  64           HA       GLU  64  -6.001   3.671 -11.943
  493   1HB   GLU  64          1HB       GLU  64  -5.498   5.145 -13.829
  494   2HB   GLU  64          2HB       GLU  64  -6.569   5.824 -12.604
  495   1HG   GLU  64          1HG       GLU  64  -5.280   7.631 -13.171
  496   2HG   GLU  64          2HG       GLU  64  -4.541   7.093 -11.667
  497    H    GLU  65           H        GLU  65  -2.808   5.315 -11.521
  498    HA   GLU  65           HA       GLU  65  -1.407   3.316 -12.969
  499   1HB   GLU  65          1HB       GLU  65   0.641   4.272 -11.977
  500   2HB   GLU  65          2HB       GLU  65  -0.423   5.425 -12.772
  501   1HG   GLU  65          1HG       GLU  65  -1.354   5.943 -10.401
  502   2HG   GLU  65          2HG       GLU  65   0.048   5.063  -9.802
  503    H    PHE  66           H        PHE  66  -2.229   3.464  -9.473
  504    HA   PHE  66           HA       PHE  66  -0.848   1.191  -8.576
  505   1HB   PHE  66          1HB       PHE  66  -2.043   2.423  -7.005
  506   2HB   PHE  66          2HB       PHE  66  -3.498   2.410  -7.953
  507    HD1  PHE  66           HD1      PHE  66  -1.429   0.288  -5.710
  508    HD2  PHE  66           HD2      PHE  66  -5.124   0.698  -7.881
  509    HE1  PHE  66           HE1      PHE  66  -2.432  -1.542  -4.358
  510    HE2  PHE  66           HE2      PHE  66  -6.088  -1.207  -6.632
  511    HZ   PHE  66           HZ       PHE  66  -4.761  -2.283  -4.793
  512    H    GLN  67           H        GLN  67  -3.727   1.257 -10.772
  513    HA   GLN  67           HA       GLN  67  -4.208  -1.559 -10.512
  514   1HB   GLN  67          1HB       GLN  67  -4.831   0.289 -12.835
  515   2HB   GLN  67          2HB       GLN  67  -5.355  -1.385 -12.714
  516   1HG   GLN  67          1HG       GLN  67  -6.050   0.769 -10.670
  517   2HG   GLN  67          2HG       GLN  67  -7.106   0.215 -11.971
  518   1HE2  GLN  67          1HE2      GLN  67  -7.454  -1.755  -8.596
  519   2HE2  GLN  67          2HE2      GLN  67  -6.956  -0.077  -8.744
  520    H    VAL  68           H        VAL  68  -1.583   0.101 -12.145
  521    HA   VAL  68           HA       VAL  68  -0.833  -2.107 -13.844
  522    HB   VAL  68           HB       VAL  68   0.872   0.080 -12.621
  523   1HG1  VAL  68          1HG1      VAL  68   1.438  -1.791 -14.955
  524   2HG1  VAL  68          2HG1      VAL  68   2.432  -0.399 -14.481
  525   3HG1  VAL  68          3HG1      VAL  68   2.284  -1.780 -13.393
  526   1HG2  VAL  68          3HG2      VAL  68  -0.464  -0.116 -15.359
  527   2HG2  VAL  68          1HG2      VAL  68  -0.939   0.998 -14.062
  528   3HG2  VAL  68          2HG2      VAL  68   0.640   1.172 -14.832
  529    H    LEU  69           H        LEU  69  -0.545  -1.409 -10.397
  530    HA   LEU  69           HA       LEU  69   1.454  -3.425  -9.807
  531   1HB   LEU  69          1HB       LEU  69   0.604  -1.314  -8.436
  532   2HB   LEU  69          2HB       LEU  69  -0.621  -2.424  -7.831
  533    HG   LEU  69           HG       LEU  69   2.398  -2.702  -7.567
  534   1HD1  LEU  69          3HD1      LEU  69   1.290  -0.965  -6.146
  535   2HD1  LEU  69          1HD1      LEU  69   0.209  -2.213  -5.497
  536   3HD1  LEU  69          2HD1      LEU  69   1.956  -2.299  -5.187
  537   1HD2  LEU  69          3HD2      LEU  69   0.163  -4.553  -6.632
  538   2HD2  LEU  69          1HD2      LEU  69   1.555  -4.960  -7.673
  539   3HD2  LEU  69          2HD2      LEU  69   1.810  -4.572  -5.972
  540    H    VAL  70           H        VAL  70  -2.121  -3.128  -9.654
  541    HA   VAL  70           HA       VAL  70  -2.647  -5.797  -8.826
  542    HB   VAL  70           HB       VAL  70  -4.401  -4.012 -10.584
  543   1HG1  VAL  70          1HG1      VAL  70  -5.097  -6.337  -8.742
  544   2HG1  VAL  70          2HG1      VAL  70  -6.261  -5.289  -9.581
  545   3HG1  VAL  70          3HG1      VAL  70  -5.197  -6.342 -10.515
  546   1HG2  VAL  70          3HG2      VAL  70  -4.103  -4.206  -7.556
  547   2HG2  VAL  70          1HG2      VAL  70  -3.804  -2.776  -8.547
  548   3HG2  VAL  70          2HG2      VAL  70  -5.450  -3.381  -8.377
  549    H    LYS  71           H        LYS  71  -2.166  -4.432 -12.110
  550    HA   LYS  71           HA       LYS  71  -2.506  -6.853 -13.547
  551   1HB   LYS  71          1HB       LYS  71  -2.419  -4.846 -14.777
  552   2HB   LYS  71          2HB       LYS  71  -0.856  -4.386 -14.091
  553   1HG   LYS  71          1HG       LYS  71   0.317  -6.099 -15.261
  554   2HG   LYS  71          2HG       LYS  71  -1.192  -6.883 -15.773
  555   1HD   LYS  71          1HD       LYS  71  -0.214  -5.680 -17.641
  556   2HD   LYS  71          2HD       LYS  71  -1.756  -4.934 -17.188
  557   1HE   LYS  71          1HE       LYS  71  -0.574  -3.121 -16.015
  558   2HE   LYS  71          2HE       LYS  71   0.989  -3.914 -16.302
  559   1HZ   LYS  71          1HZ       LYS  71  -0.823  -2.872 -18.365
  560   2HZ   LYS  71          2HZ       LYS  71   0.568  -2.157 -17.845
  561   3HZ   LYS  71          3HZ       LYS  71   0.631  -3.598 -18.641
  562    H    LYS  72           H        LYS  72   0.502  -5.458 -12.238
  563    HA   LYS  72           HA       LYS  72   2.239  -7.602 -12.701
  564   1HB   LYS  72          1HB       LYS  72   2.156  -5.402 -10.710
  565   2HB   LYS  72          2HB       LYS  72   2.996  -6.839 -10.149
  566   1HG   LYS  72          1HG       LYS  72   4.588  -5.379 -11.101
  567   2HG   LYS  72          2HG       LYS  72   4.449  -6.798 -12.149
  568   1HD   LYS  72          1HD       LYS  72   3.139  -5.514 -13.783
  569   2HD   LYS  72          2HD       LYS  72   2.973  -4.172 -12.642
  570   1HE   LYS  72          1HE       LYS  72   4.661  -3.640 -14.340
  571   2HE   LYS  72          2HE       LYS  72   5.353  -3.689 -12.711
  572   1HZ   LYS  72          3HZ       LYS  72   6.153  -5.897 -13.197
  573   2HZ   LYS  72          1HZ       LYS  72   5.548  -5.815 -14.730
  574   3HZ   LYS  72          2HZ       LYS  72   6.752  -4.786 -14.253
  575    H    ILE  73           H        ILE  73   0.069  -7.287  -9.897
  576    HA   ILE  73           HA       ILE  73   0.675  -9.832  -8.735
  577    HB   ILE  73           HB       ILE  73  -1.973  -8.313  -8.662
  578   1HG1  ILE  73          1HG1      ILE  73   0.384  -8.435  -6.737
  579   2HG1  ILE  73          2HG1      ILE  73  -0.094  -7.046  -7.727
  580   1HG2  ILE  73          3HG2      ILE  73  -2.280 -10.727  -8.112
  581   2HG2  ILE  73          1HG2      ILE  73  -0.993 -10.595  -6.895
  582   3HG2  ILE  73          2HG2      ILE  73  -2.521  -9.705  -6.712
  583   1HD1  ILE  73          3HD1      ILE  73  -2.284  -6.971  -6.503
  584   2HD1  ILE  73          1HD1      ILE  73  -1.618  -8.175  -5.367
  585   3HD1  ILE  73          2HD1      ILE  73  -0.839  -6.601  -5.544
  586    H    SER  74           H        SER  74  -1.838  -8.905 -11.045
  587    HA   SER  74           HA       SER  74  -2.660 -11.659 -11.600
  588   1HB   SER  74          1HB       SER  74  -3.343  -9.143 -13.165
  589   2HB   SER  74          2HB       SER  74  -4.261 -10.653 -13.054
  590    HG   SER  74           HG       SER  74  -3.812  -8.689 -11.037
  591    H    GLN  75           H        GLN  75   0.047 -11.557 -11.990
  592    HA   GLN  75           HA       GLN  75   1.815 -11.257 -13.404
  593   1HB   GLN  75          1HB       GLN  75   1.781 -12.966 -15.247
  594   2HB   GLN  75          2HB       GLN  75   1.550 -13.553 -13.609
  595   1HG   GLN  75          1HG       GLN  75  -0.777 -13.040 -15.523
  596   2HG   GLN  75          2HG       GLN  75   0.085 -14.577 -15.446
  597   1HE2  GLN  75          1HE2      GLN  75  -1.104 -15.276 -12.030
  598   2HE2  GLN  75          2HE2      GLN  75   0.439 -15.232 -12.865
   
  No H/Q in entry =         598
  Start of MODEL          17
 Raw file had  599 H/Q atoms
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  -8.811 -10.479  -4.885
    2   2H    LYS   1          2H        LYS   1  -7.741  -9.212  -4.611
    3   3H    LYS   1          3H        LYS   1  -8.022 -10.351  -3.406
    4    HA   LYS   1           HA       LYS   1 -10.267  -9.651  -3.178
    5   1HB   LYS   1          1HB       LYS   1  -8.530  -7.191  -3.093
    6   2HB   LYS   1          2HB       LYS   1  -9.938  -7.632  -2.131
    7   1HG   LYS   1          1HG       LYS   1  -8.232  -7.891  -0.644
    8   2HG   LYS   1          2HG       LYS   1  -8.603  -9.549  -1.143
    9   1HD   LYS   1          1HD       LYS   1  -6.630  -9.630  -2.538
   10   2HD   LYS   1          2HD       LYS   1  -6.385  -7.878  -2.412
   11   1HE   LYS   1          1HE       LYS   1  -5.898  -8.118   0.016
   12   2HE   LYS   1          2HE       LYS   1  -6.129  -9.874  -0.117
   13   1HZ   LYS   1          1HZ       LYS   1  -4.113  -8.297  -1.561
   14   2HZ   LYS   1          2HZ       LYS   1  -3.814  -9.241  -0.251
   15   3HZ   LYS   1          3HZ       LYS   1  -4.312  -9.928  -1.662
   16    H    SER   2           H        SER   2 -11.997  -8.228  -3.948
   17    HA   SER   2           HA       SER   2 -12.050  -7.980  -6.792
   18   1HB   SER   2          1HB       SER   2 -14.226  -6.837  -6.406
   19   2HB   SER   2          2HB       SER   2 -14.085  -8.318  -5.453
   20    HG   SER   2           HG       SER   2 -13.683  -7.112  -3.646
   21    HA   PRO   3           HA       PRO   3 -10.312  -3.923  -7.675
   22   1HB   PRO   3          1HB       PRO   3 -13.065  -3.356  -8.817
   23   2HB   PRO   3          2HB       PRO   3 -11.471  -2.877  -9.473
   24   1HG   PRO   3          1HG       PRO   3 -12.700  -5.066 -10.473
   25   2HG   PRO   3          2HG       PRO   3 -10.964  -5.162 -10.050
   26   1HD   PRO   3          1HD       PRO   3 -13.331  -6.155  -8.462
   27   2HD   PRO   3          2HD       PRO   3 -11.752  -6.943  -8.763
   28    H    GLU   4           H        GLU   4 -13.684  -3.940  -6.433
   29    HA   GLU   4           HA       GLU   4 -13.727  -1.416  -5.191
   30   1HB   GLU   4          1HB       GLU   4 -15.168  -3.950  -4.376
   31   2HB   GLU   4          2HB       GLU   4 -15.542  -2.290  -3.886
   32   1HG   GLU   4          1HG       GLU   4 -16.857  -2.190  -5.680
   33   2HG   GLU   4          2HG       GLU   4 -15.418  -1.987  -6.643
   34    H    GLU   5           H        GLU   5 -12.657  -4.571  -3.954
   35    HA   GLU   5           HA       GLU   5 -12.160  -3.630  -1.237
   36   1HB   GLU   5          1HB       GLU   5 -11.332  -6.114  -2.780
   37   2HB   GLU   5          2HB       GLU   5 -10.798  -5.787  -1.121
   38   1HG   GLU   5          1HG       GLU   5 -13.034  -5.812  -0.267
   39   2HG   GLU   5          2HG       GLU   5 -13.742  -5.823  -1.885
   40    H    LEU   6           H        LEU   6 -10.237  -4.105  -4.180
   41    HA   LEU   6           HA       LEU   6  -7.724  -3.311  -3.065
   42   1HB   LEU   6          1HB       LEU   6  -8.794  -3.215  -5.913
   43   2HB   LEU   6          2HB       LEU   6  -7.143  -2.898  -5.443
   44    HG   LEU   6           HG       LEU   6  -8.649  -5.538  -5.099
   45   1HD1  LEU   6          3HD1      LEU   6  -7.794  -4.985  -7.408
   46   2HD1  LEU   6          1HD1      LEU   6  -6.158  -4.928  -6.697
   47   3HD1  LEU   6          2HD1      LEU   6  -7.073  -6.442  -6.685
   48   1HD2  LEU   6          3HD2      LEU   6  -5.834  -4.801  -4.211
   49   2HD2  LEU   6          1HD2      LEU   6  -7.168  -5.386  -3.192
   50   3HD2  LEU   6          2HD2      LEU   6  -6.449  -6.467  -4.375
   51    H    LYS   7           H        LYS   7 -10.288  -1.403  -4.641
   52    HA   LYS   7           HA       LYS   7  -9.011   1.106  -4.350
   53   1HB   LYS   7          1HB       LYS   7 -11.185   0.603  -5.586
   54   2HB   LYS   7          2HB       LYS   7 -11.991   0.546  -4.033
   55   1HG   LYS   7          1HG       LYS   7 -12.409   2.698  -4.923
   56   2HG   LYS   7          2HG       LYS   7 -11.288   2.907  -3.576
   57   1HD   LYS   7          1HD       LYS   7  -9.394   3.129  -5.204
   58   2HD   LYS   7          2HD       LYS   7 -10.525   2.806  -6.528
   59   1HE   LYS   7          1HE       LYS   7 -10.097   5.167  -6.430
   60   2HE   LYS   7          2HE       LYS   7 -11.776   4.884  -5.945
   61   1HZ   LYS   7          1HZ       LYS   7  -9.509   5.334  -4.125
   62   2HZ   LYS   7          2HZ       LYS   7 -10.657   6.446  -4.525
   63   3HZ   LYS   7          3HZ       LYS   7 -11.077   5.105  -3.665
   64    H    GLY   8           H        GLY   8 -11.043  -0.740  -2.117
   65   1HA   GLY   8          1HA       GLY   8 -11.228   1.102   0.031
   66   2HA   GLY   8          2HA       GLY   8 -11.254  -0.666   0.197
   67    H    ILE   9           H        ILE   9  -8.890  -1.523  -0.480
   68    HA   ILE   9           HA       ILE   9  -6.971  -0.994   1.549
   69    HB   ILE   9           HB       ILE   9  -6.830  -2.220  -1.228
   70   1HG1  ILE   9          1HG1      ILE   9  -6.920  -3.336   1.612
   71   2HG1  ILE   9          2HG1      ILE   9  -8.232  -3.357   0.424
   72   1HG2  ILE   9          3HG2      ILE   9  -4.587  -1.367  -0.697
   73   2HG2  ILE   9          1HG2      ILE   9  -4.654  -2.207   0.860
   74   3HG2  ILE   9          2HG2      ILE   9  -4.629  -3.118  -0.667
   75   1HD1  ILE   9          3HD1      ILE   9  -6.785  -4.779  -1.058
   76   2HD1  ILE   9          1HD1      ILE   9  -5.605  -4.881   0.267
   77   3HD1  ILE   9          2HD1      ILE   9  -7.232  -5.539   0.483
   78    H    PHE  10           H        PHE  10  -7.001   0.152  -1.862
   79    HA   PHE  10           HA       PHE  10  -4.688   1.672  -1.752
   80   1HB   PHE  10          1HB       PHE  10  -6.009   1.154  -3.795
   81   2HB   PHE  10          2HB       PHE  10  -7.260   2.247  -3.268
   82    HD1  PHE  10           HD1      PHE  10  -6.889   4.697  -3.095
   83    HD2  PHE  10           HD2      PHE  10  -3.929   2.027  -4.768
   84    HE1  PHE  10           HE1      PHE  10  -5.771   6.592  -4.130
   85    HE2  PHE  10           HE2      PHE  10  -2.786   3.982  -5.811
   86    HZ   PHE  10           HZ       PHE  10  -3.733   6.240  -5.553
   87    H    GLU  11           H        GLU  11  -8.032   2.692  -0.903
   88    HA   GLU  11           HA       GLU  11  -7.312   5.388  -0.198
   89   1HB   GLU  11          1HB       GLU  11  -9.685   3.640   0.588
   90   2HB   GLU  11          2HB       GLU  11  -9.496   5.334   1.069
   91   1HG   GLU  11          1HG       GLU  11  -9.416   6.043  -1.285
   92   2HG   GLU  11          2HG       GLU  11  -9.541   4.360  -1.819
   93    H    LYS  12           H        LYS  12  -7.882   2.464   1.802
   94    HA   LYS  12           HA       LYS  12  -7.440   3.403   4.361
   95   1HB   LYS  12          1HB       LYS  12  -8.103   1.160   4.077
   96   2HB   LYS  12          2HB       LYS  12  -6.741   0.778   3.008
   97   1HG   LYS  12          1HG       LYS  12  -5.174   0.656   4.686
   98   2HG   LYS  12          2HG       LYS  12  -6.187   1.523   5.866
   99   1HD   LYS  12          1HD       LYS  12  -6.013  -0.912   6.317
  100   2HD   LYS  12          2HD       LYS  12  -7.683  -0.365   6.095
  101   1HE   LYS  12          1HE       LYS  12  -7.790  -1.301   3.867
  102   2HE   LYS  12          2HE       LYS  12  -6.046  -1.608   3.846
  103   1HZ   LYS  12          1HZ       LYS  12  -7.984  -2.913   5.616
  104   2HZ   LYS  12          2HZ       LYS  12  -7.290  -3.580   4.279
  105   3HZ   LYS  12          3HZ       LYS  12  -6.361  -3.202   5.584
  106    H    TYR  13           H        TYR  13  -4.913   2.239   2.091
  107    HA   TYR  13           HA       TYR  13  -2.809   3.006   3.981
  108   1HB   TYR  13          1HB       TYR  13  -2.782   1.865   1.199
  109   2HB   TYR  13          2HB       TYR  13  -1.320   2.297   2.088
  110    HD1  TYR  13           HD1      TYR  13  -0.924   1.303   4.377
  111    HD2  TYR  13           HD2      TYR  13  -4.068  -0.176   1.883
  112    HE1  TYR  13           HE1      TYR  13  -1.041  -0.812   5.721
  113    HE2  TYR  13           HE2      TYR  13  -4.011  -2.337   3.000
  114    HH   TYR  13           HH       TYR  13  -3.259  -3.485   4.877
  115    H    ALA  14           H        ALA  14  -3.971   4.313   0.865
  116    HA   ALA  14           HA       ALA  14  -1.984   6.329   0.632
  117   1HB   ALA  14          3HB       ALA  14  -3.547   5.548  -1.199
  118   2HB   ALA  14          1HB       ALA  14  -4.833   6.500  -0.430
  119   3HB   ALA  14          2HB       ALA  14  -3.371   7.286  -1.070
  120    H    ALA  15           H        ALA  15  -5.070   6.412   2.344
  121    HA   ALA  15           HA       ALA  15  -4.894   9.228   3.010
  122   1HB   ALA  15          3HB       ALA  15  -7.038   7.922   3.035
  123   2HB   ALA  15          1HB       ALA  15  -6.397   6.957   4.392
  124   3HB   ALA  15          2HB       ALA  15  -6.699   8.691   4.606
  125    H    LYS  16           H        LYS  16  -3.291   6.369   4.298
  126    HA   LYS  16           HA       LYS  16  -2.966   7.470   6.973
  127   1HB   LYS  16          1HB       LYS  16  -3.159   5.034   6.492
  128   2HB   LYS  16          2HB       LYS  16  -1.624   5.112   5.613
  129   1HG   LYS  16          1HG       LYS  16  -0.441   5.752   7.681
  130   2HG   LYS  16          2HG       LYS  16  -1.981   5.812   8.557
  131   1HD   LYS  16          1HD       LYS  16  -0.790   3.732   9.034
  132   2HD   LYS  16          2HD       LYS  16  -2.314   3.393   8.195
  133   1HE   LYS  16          1HE       LYS  16  -1.128   3.020   6.083
  134   2HE   LYS  16          2HE       LYS  16   0.405   3.552   6.801
  135   1HZ   LYS  16          1HZ       LYS  16  -1.150   1.187   7.592
  136   2HZ   LYS  16          2HZ       LYS  16   0.230   1.186   6.691
  137   3HZ   LYS  16          3HZ       LYS  16   0.276   1.666   8.267
  138    H    GLU  17           H        GLU  17  -2.247   9.471   5.935
  139    HA   GLU  17           HA       GLU  17  -0.960  11.031   5.274
  140   1HB   GLU  17          1HB       GLU  17   1.312  11.279   5.688
  141   2HB   GLU  17          2HB       GLU  17   0.351  10.954   7.141
  142   1HG   GLU  17          1HG       GLU  17   1.206   8.659   7.276
  143   2HG   GLU  17          2HG       GLU  17   2.100   8.855   5.761
  144    H    GLY  18           H        GLY  18  -0.952  11.488   3.379
  145   1HA   GLY  18          1HA       GLY  18   0.616  11.161   1.182
  146   2HA   GLY  18          2HA       GLY  18  -0.380   9.675   1.198
  147    H    ASP  19           H        ASP  19  -1.559  10.572  -0.733
  148    HA   ASP  19           HA       ASP  19  -3.637  12.566   0.102
  149   1HB   ASP  19          1HB       ASP  19  -2.265  13.274  -1.863
  150   2HB   ASP  19          2HB       ASP  19  -2.746  11.794  -2.701
  151    HA   PRO  20           HA       PRO  20  -6.040   8.784   0.249
  152   1HB   PRO  20          1HB       PRO  20  -8.551   9.733  -0.589
  153   2HB   PRO  20          2HB       PRO  20  -7.907   9.755   1.081
  154   1HG   PRO  20          1HG       PRO  20  -7.879  11.961  -0.983
  155   2HG   PRO  20          2HG       PRO  20  -8.260  12.090   0.759
  156   1HD   PRO  20          1HD       PRO  20  -5.850  12.807  -0.167
  157   2HD   PRO  20          2HD       PRO  20  -5.945  11.867   1.347
  158    H    ASN  21           H        ASN  21  -5.911  10.765  -2.699
  159    HA   ASN  21           HA       ASN  21  -7.023   8.656  -4.418
  160   1HB   ASN  21          1HB       ASN  21  -5.883  11.399  -5.064
  161   2HB   ASN  21          2HB       ASN  21  -6.797  10.343  -6.132
  162   1HD2  ASN  21          1HD2      ASN  21  -8.730  12.771  -3.497
  163   2HD2  ASN  21          2HD2      ASN  21  -6.974  12.628  -3.482
  164    H    GLN  22           H        GLN  22  -3.952   9.267  -3.032
  165    HA   GLN  22           HA       GLN  22  -2.532   7.995  -5.255
  166   1HB   GLN  22          1HB       GLN  22  -2.870  10.559  -5.608
  167   2HB   GLN  22          2HB       GLN  22  -1.660  10.725  -4.338
  168   1HG   GLN  22          1HG       GLN  22  -0.160   9.227  -5.778
  169   2HG   GLN  22          2HG       GLN  22  -1.463   9.117  -6.926
  170   1HE2  GLN  22          1HE2      GLN  22   0.306  12.806  -6.773
  171   2HE2  GLN  22          2HE2      GLN  22   0.045  11.964  -5.243
  172    H    LEU  23           H        LEU  23  -1.161   6.518  -4.390
  173    HA   LEU  23           HA       LEU  23  -0.740   6.495  -1.526
  174   1HB   LEU  23          1HB       LEU  23   0.295   4.692  -3.733
  175   2HB   LEU  23          2HB       LEU  23   0.627   4.512  -2.035
  176    HG   LEU  23           HG       LEU  23  -2.253   4.578  -2.855
  177   1HD1  LEU  23          3HD1      LEU  23  -1.149   2.928  -4.366
  178   2HD1  LEU  23          1HD1      LEU  23  -0.407   2.161  -2.946
  179   3HD1  LEU  23          2HD1      LEU  23  -2.163   2.119  -3.144
  180   1HD2  LEU  23          1HD2      LEU  23  -1.380   4.517  -0.419
  181   2HD2  LEU  23          2HD2      LEU  23  -2.487   3.201  -0.862
  182   3HD2  LEU  23          3HD2      LEU  23  -0.738   2.918  -0.762
  183    H    SER  24           H        SER  24   0.997   7.227  -0.428
  184    HA   SER  24           HA       SER  24   3.441   8.189  -1.637
  185   1HB   SER  24          1HB       SER  24   3.793   8.126   1.078
  186   2HB   SER  24          2HB       SER  24   2.873   9.400   0.252
  187    HG   SER  24           HG       SER  24   1.730   8.306   2.050
  188    H    LYS  25           H        LYS  25   5.540   7.243  -1.015
  189    HA   LYS  25           HA       LYS  25   5.672   4.606  -1.861
  190   1HB   LYS  25          1HB       LYS  25   7.454   6.475  -1.875
  191   2HB   LYS  25          2HB       LYS  25   7.872   5.923  -0.246
  192   1HG   LYS  25          1HG       LYS  25   8.046   3.551  -1.355
  193   2HG   LYS  25          2HG       LYS  25   8.035   4.402  -2.880
  194   1HD   LYS  25          1HD       LYS  25  10.051   4.948  -0.663
  195   2HD   LYS  25          2HD       LYS  25  10.335   3.889  -2.054
  196   1HE   LYS  25          1HE       LYS  25   9.955   5.781  -3.614
  197   2HE   LYS  25          2HE       LYS  25   9.693   6.870  -2.239
  198   1HZ   LYS  25          3HZ       LYS  25  11.914   6.409  -1.517
  199   2HZ   LYS  25          1HZ       LYS  25  12.177   5.410  -2.801
  200   3HZ   LYS  25          2HZ       LYS  25  11.906   7.016  -3.048
  201    H    GLU  26           H        GLU  26   5.986   5.817   1.496
  202    HA   GLU  26           HA       GLU  26   6.579   3.257   2.634
  203   1HB   GLU  26          1HB       GLU  26   5.281   5.671   3.966
  204   2HB   GLU  26          2HB       GLU  26   6.065   4.306   4.775
  205   1HG   GLU  26          1HG       GLU  26   7.415   6.314   2.902
  206   2HG   GLU  26          2HG       GLU  26   7.530   6.205   4.652
  207    H    GLU  27           H        GLU  27   3.616   5.093   2.209
  208    HA   GLU  27           HA       GLU  27   1.811   3.229   3.351
  209   1HB   GLU  27          1HB       GLU  27   1.473   5.351   1.215
  210   2HB   GLU  27          2HB       GLU  27   0.133   4.331   1.748
  211   1HG   GLU  27          1HG       GLU  27   0.284   6.504   2.999
  212   2HG   GLU  27          2HG       GLU  27   0.301   5.064   4.014
  213    H    LEU  28           H        LEU  28   2.852   3.428  -0.154
  214    HA   LEU  28           HA       LEU  28   1.819   0.920  -0.902
  215   1HB   LEU  28          1HB       LEU  28   4.305   2.440  -1.725
  216   2HB   LEU  28          2HB       LEU  28   4.019   0.822  -2.370
  217    HG   LEU  28           HG       LEU  28   1.772   2.744  -2.326
  218   1HD1  LEU  28          3HD1      LEU  28   3.653   4.065  -3.199
  219   2HD1  LEU  28          1HD1      LEU  28   3.924   2.806  -4.446
  220   3HD1  LEU  28          2HD1      LEU  28   2.415   3.760  -4.419
  221   1HD2  LEU  28          3HD2      LEU  28   2.709   0.622  -4.340
  222   2HD2  LEU  28          1HD2      LEU  28   1.396   0.417  -3.167
  223   3HD2  LEU  28          2HD2      LEU  28   1.222   1.565  -4.511
  224    H    LYS  29           H        LYS  29   4.901   1.492   0.801
  225    HA   LYS  29           HA       LYS  29   5.694  -1.234   0.658
  226   1HB   LYS  29          1HB       LYS  29   7.037   0.772   1.428
  227   2HB   LYS  29          2HB       LYS  29   6.153   0.752   2.922
  228   1HG   LYS  29          1HG       LYS  29   7.028  -1.580   3.403
  229   2HG   LYS  29          2HG       LYS  29   7.915  -1.486   1.877
  230   1HD   LYS  29          1HD       LYS  29   9.553  -0.883   3.355
  231   2HD   LYS  29          2HD       LYS  29   8.953   0.714   2.876
  232   1HE   LYS  29          1HE       LYS  29   8.074  -0.778   5.408
  233   2HE   LYS  29          2HE       LYS  29   9.430   0.355   5.349
  234   1HZ   LYS  29          3HZ       LYS  29   7.950   2.074   4.672
  235   2HZ   LYS  29          1HZ       LYS  29   6.654   1.048   4.742
  236   3HZ   LYS  29          2HZ       LYS  29   7.485   1.423   6.108
  237    H    LEU  30           H        LEU  30   3.928   0.444   3.215
  238    HA   LEU  30           HA       LEU  30   3.399  -1.900   4.764
  239   1HB   LEU  30          1HB       LEU  30   2.155   0.860   4.595
  240   2HB   LEU  30          2HB       LEU  30   1.271  -0.392   5.454
  241    HG   LEU  30           HG       LEU  30   2.604   1.027   6.938
  242   1HD1  LEU  30          3HD1      LEU  30   1.961  -1.302   7.559
  243   2HD1  LEU  30          1HD1      LEU  30   3.552  -1.863   7.002
  244   3HD1  LEU  30          2HD1      LEU  30   3.437  -0.730   8.354
  245   1HD2  LEU  30          1HD2      LEU  30   4.570   1.442   5.541
  246   2HD2  LEU  30          2HD2      LEU  30   5.029   0.769   7.111
  247   3HD2  LEU  30          3HD2      LEU  30   5.052  -0.267   5.673
  248    H    LEU  31           H        LEU  31   1.446  -0.394   2.237
  249    HA   LEU  31           HA       LEU  31  -0.726  -2.177   2.218
  250   1HB   LEU  31          1HB       LEU  31  -0.518  -0.083   0.920
  251   2HB   LEU  31          2HB       LEU  31   0.634  -0.846  -0.163
  252    HG   LEU  31           HG       LEU  31  -2.202  -1.847   0.215
  253   1HD1  LEU  31          1HD1      LEU  31  -1.067   0.079  -1.859
  254   2HD1  LEU  31          2HD1      LEU  31  -2.695  -0.619  -1.924
  255   3HD1  LEU  31          3HD1      LEU  31  -2.259   0.480  -0.606
  256   1HD2  LEU  31          3HD2      LEU  31  -0.094  -2.351  -1.936
  257   2HD2  LEU  31          1HD2      LEU  31  -0.862  -3.545  -0.866
  258   3HD2  LEU  31          2HD2      LEU  31  -1.809  -2.766  -2.121
  259    H    LEU  32           H        LEU  32   2.298  -2.356   0.372
  260    HA   LEU  32           HA       LEU  32   1.828  -4.856  -0.882
  261   1HB   LEU  32          1HB       LEU  32   4.409  -3.459  -0.047
  262   2HB   LEU  32          2HB       LEU  32   4.411  -4.966  -0.959
  263    HG   LEU  32           HG       LEU  32   2.908  -2.537  -1.996
  264   1HD1  LEU  32          1HD1      LEU  32   5.836  -3.251  -2.464
  265   2HD1  LEU  32          2HD1      LEU  32   4.918  -1.989  -3.322
  266   3HD1  LEU  32          3HD1      LEU  32   5.242  -1.824  -1.594
  267   1HD2  LEU  32          3HD2      LEU  32   4.165  -4.964  -3.343
  268   2HD2  LEU  32          1HD2      LEU  32   2.428  -4.709  -3.058
  269   3HD2  LEU  32          2HD2      LEU  32   3.311  -3.640  -4.160
  270    H    GLN  33           H        GLN  33   3.753  -4.180   2.089
  271    HA   GLN  33           HA       GLN  33   4.348  -6.849   2.715
  272   1HB   GLN  33          1HB       GLN  33   5.536  -5.042   3.705
  273   2HB   GLN  33          2HB       GLN  33   4.083  -4.318   4.360
  274   1HG   GLN  33          1HG       GLN  33   5.100  -7.055   5.263
  275   2HG   GLN  33          2HG       GLN  33   5.669  -5.543   5.987
  276   1HE2  GLN  33          1HE2      GLN  33   2.185  -4.724   7.052
  277   2HE2  GLN  33          2HE2      GLN  33   3.583  -3.942   6.327
  278    H    THR  34           H        THR  34   1.613  -4.907   3.895
  279    HA   THR  34           HA       THR  34   0.670  -7.060   5.552
  280    HB   THR  34           HB       THR  34  -0.913  -4.632   4.654
  281    HG1  THR  34           HG1      THR  34   0.930  -3.830   5.447
  282   1HG2  THR  34          1HG2      THR  34  -0.973  -6.323   7.197
  283   2HG2  THR  34          2HG2      THR  34  -1.936  -4.861   6.910
  284   3HG2  THR  34          3HG2      THR  34  -2.219  -6.310   5.928
  285    H    GLU  35           H        GLU  35  -0.433  -5.778   2.354
  286    HA   GLU  35           HA       GLU  35  -2.687  -7.641   2.347
  287   1HB   GLU  35          1HB       GLU  35  -1.839  -5.456   0.396
  288   2HB   GLU  35          2HB       GLU  35  -3.357  -6.320   0.395
  289   1HG   GLU  35          1HG       GLU  35  -2.276  -4.415   2.535
  290   2HG   GLU  35          2HG       GLU  35  -3.547  -4.085   1.370
  291    H    PHE  36           H        PHE  36   0.397  -7.174   0.669
  292    HA   PHE  36           HA       PHE  36  -0.095  -9.638  -0.945
  293   1HB   PHE  36          1HB       PHE  36   0.891  -6.965  -1.988
  294   2HB   PHE  36          2HB       PHE  36   0.778  -8.448  -2.912
  295    HD1  PHE  36           HD1      PHE  36  -1.631  -9.544  -3.096
  296    HD2  PHE  36           HD2      PHE  36  -0.896  -5.434  -2.071
  297    HE1  PHE  36           HE1      PHE  36  -3.655  -8.862  -4.381
  298    HE2  PHE  36           HE2      PHE  36  -2.923  -4.754  -3.377
  299    HZ   PHE  36           HZ       PHE  36  -4.189  -6.465  -4.642
  300    HA   PRO  37           HA       PRO  37   4.193  -9.315   0.954
  301   1HB   PRO  37          1HB       PRO  37   4.239 -11.795   2.149
  302   2HB   PRO  37          2HB       PRO  37   3.619 -10.315   2.934
  303   1HG   PRO  37          1HG       PRO  37   2.019 -12.456   1.521
  304   2HG   PRO  37          2HG       PRO  37   1.696 -11.714   3.116
  305   1HD   PRO  37          1HD       PRO  37   0.423 -10.893   0.864
  306   2HD   PRO  37          2HD       PRO  37   0.898  -9.702   2.096
  307    H    SER  38           H        SER  38   2.361 -11.408  -1.144
  308    HA   SER  38           HA       SER  38   4.226 -13.190  -2.273
  309   1HB   SER  38          1HB       SER  38   2.585 -12.577  -4.280
  310   2HB   SER  38          2HB       SER  38   1.978 -13.464  -2.866
  311    HG   SER  38           HG       SER  38   0.649 -11.650  -3.404
  312    H    LEU  39           H        LEU  39   3.298  -9.830  -3.025
  313    HA   LEU  39           HA       LEU  39   5.077  -9.517  -5.257
  314   1HB   LEU  39          1HB       LEU  39   3.648  -7.615  -3.393
  315   2HB   LEU  39          2HB       LEU  39   4.628  -7.024  -4.747
  316    HG   LEU  39           HG       LEU  39   2.168  -8.813  -5.002
  317   1HD1  LEU  39          1HD1      LEU  39   2.658  -5.864  -5.622
  318   2HD1  LEU  39          2HD1      LEU  39   1.190  -6.755  -6.049
  319   3HD1  LEU  39          3HD1      LEU  39   1.606  -6.515  -4.346
  320   1HD2  LEU  39          3HD2      LEU  39   3.977  -7.567  -7.123
  321   2HD2  LEU  39          1HD2      LEU  39   3.647  -9.299  -6.884
  322   3HD2  LEU  39          2HD2      LEU  39   2.367  -8.234  -7.454
  323    H    LEU  40           H        LEU  40   5.712  -9.358  -1.814
  324    HA   LEU  40           HA       LEU  40   8.211  -7.857  -2.196
  325   1HB   LEU  40          1HB       LEU  40   7.291  -9.523   0.168
  326   2HB   LEU  40          2HB       LEU  40   8.712  -8.481   0.101
  327    HG   LEU  40           HG       LEU  40   5.798  -7.587  -0.023
  328   1HD1  LEU  40          1HD1      LEU  40   8.066  -7.187   1.986
  329   2HD1  LEU  40          2HD1      LEU  40   6.482  -6.408   2.079
  330   3HD1  LEU  40          3HD1      LEU  40   6.606  -8.176   2.215
  331   1HD2  LEU  40          3HD2      LEU  40   8.354  -5.949  -0.330
  332   2HD2  LEU  40          1HD2      LEU  40   7.020  -6.086  -1.502
  333   3HD2  LEU  40          2HD2      LEU  40   6.760  -5.258   0.033
  334    H    LYS  41           H        LYS  41   7.232 -11.203  -2.684
  335    HA   LYS  41           HA       LYS  41   9.955 -12.210  -2.547
  336   1HB   LYS  41          1HB       LYS  41   7.662 -13.343  -4.140
  337   2HB   LYS  41          2HB       LYS  41   9.092 -14.150  -3.538
  338   1HG   LYS  41          1HG       LYS  41   8.348 -13.867  -1.192
  339   2HG   LYS  41          2HG       LYS  41   6.856 -13.094  -1.749
  340   1HD   LYS  41          1HD       LYS  41   6.248 -15.130  -3.018
  341   2HD   LYS  41          2HD       LYS  41   7.724 -15.932  -2.443
  342   1HE   LYS  41          1HE       LYS  41   6.952 -15.683  -0.093
  343   2HE   LYS  41          2HE       LYS  41   5.483 -14.863  -0.654
  344   1HZ   LYS  41          1HZ       LYS  41   6.256 -17.622  -1.302
  345   2HZ   LYS  41          2HZ       LYS  41   5.102 -17.168  -0.216
  346   3HZ   LYS  41          3HZ       LYS  41   4.890 -16.860  -1.821
  347    H    GLY  42           H        GLY  42  11.161 -12.582  -4.457
  348   1HA   GLY  42          1HA       GLY  42  12.153 -11.851  -6.463
  349   2HA   GLY  42          2HA       GLY  42  10.599 -11.169  -6.982
  350    H    GLY  43           H        GLY  43   9.861  -9.285  -5.437
  351   1HA   GLY  43          1HA       GLY  43  10.118  -7.354  -4.309
  352   2HA   GLY  43          2HA       GLY  43  11.721  -7.905  -3.828
  353    H    SER  44           H        SER  44  13.235  -7.836  -6.123
  354    HA   SER  44           HA       SER  44  14.653  -6.458  -7.021
  355   1HB   SER  44          1HB       SER  44  13.944  -5.057  -8.668
  356   2HB   SER  44          2HB       SER  44  12.768  -6.356  -8.667
  357    HG   SER  44           HG       SER  44  11.429  -4.889  -7.333
  358    H    THR  45           H        THR  45  12.824  -3.519  -6.619
  359    HA   THR  45           HA       THR  45  13.739  -3.128  -3.871
  360    HB   THR  45           HB       THR  45  14.668  -0.929  -4.203
  361    HG1  THR  45           HG1      THR  45  15.169  -0.349  -6.471
  362   1HG2  THR  45          3HG2      THR  45  16.243  -2.856  -4.360
  363   2HG2  THR  45          1HG2      THR  45  16.084  -2.818  -6.130
  364   3HG2  THR  45          2HG2      THR  45  16.786  -1.437  -5.269
  365    H    LEU  46           H        LEU  46  12.287  -1.856  -2.735
  366    HA   LEU  46           HA       LEU  46   9.673  -1.431  -3.620
  367   1HB   LEU  46          1HB       LEU  46  10.342  -1.288  -1.248
  368   2HB   LEU  46          2HB       LEU  46  11.426   0.062  -1.614
  369    HG   LEU  46           HG       LEU  46   9.472   1.495  -2.177
  370   1HD1  LEU  46          1HD1      LEU  46   7.841  -0.881  -1.154
  371   2HD1  LEU  46          2HD1      LEU  46   7.205   0.747  -1.464
  372   3HD1  LEU  46          3HD1      LEU  46   7.810  -0.231  -2.808
  373   1HD2  LEU  46          1HD2      LEU  46  10.491   1.530   0.051
  374   2HD2  LEU  46          2HD2      LEU  46   8.743   1.792   0.159
  375   3HD2  LEU  46          3HD2      LEU  46   9.430   0.203   0.569
  376    H    ASP  47           H        ASP  47  12.492   0.711  -3.806
  377    HA   ASP  47           HA       ASP  47  11.255   2.937  -4.958
  378   1HB   ASP  47          1HB       ASP  47  14.074   1.848  -5.396
  379   2HB   ASP  47          2HB       ASP  47  13.536   3.498  -5.740
  380    H    GLU  48           H        GLU  48  12.835   0.193  -6.624
  381    HA   GLU  48           HA       GLU  48  12.251   1.086  -9.243
  382   1HB   GLU  48          1HB       GLU  48  13.854  -0.731  -8.755
  383   2HB   GLU  48          2HB       GLU  48  12.532  -1.772  -8.203
  384   1HG   GLU  48          1HG       GLU  48  13.229  -2.369 -10.465
  385   2HG   GLU  48          2HG       GLU  48  11.571  -1.774 -10.491
  386    H    LEU  49           H        LEU  49  10.397  -1.046  -7.076
  387    HA   LEU  49           HA       LEU  49   8.274  -1.499  -8.906
  388   1HB   LEU  49          1HB       LEU  49   8.649  -2.855  -6.906
  389   2HB   LEU  49          2HB       LEU  49   8.259  -1.481  -5.864
  390    HG   LEU  49           HG       LEU  49   5.935  -1.489  -6.629
  391   1HD1  LEU  49          1HD1      LEU  49   6.777  -3.816  -8.421
  392   2HD1  LEU  49          2HD1      LEU  49   5.096  -3.359  -8.074
  393   3HD1  LEU  49          3HD1      LEU  49   6.139  -2.245  -8.959
  394   1HD2  LEU  49          1HD2      LEU  49   6.655  -2.966  -4.759
  395   2HD2  LEU  49          2HD2      LEU  49   5.267  -3.632  -5.644
  396   3HD2  LEU  49          3HD2      LEU  49   6.892  -4.296  -5.909
  397    H    PHE  50           H        PHE  50   8.693   0.974  -6.407
  398    HA   PHE  50           HA       PHE  50   6.227   2.332  -6.697
  399   1HB   PHE  50          1HB       PHE  50   7.758   2.671  -4.818
  400   2HB   PHE  50          2HB       PHE  50   9.001   3.291  -5.884
  401    HD1  PHE  50           HD1      PHE  50   5.767   4.065  -4.279
  402    HD2  PHE  50           HD2      PHE  50   9.084   5.585  -6.564
  403    HE1  PHE  50           HE1      PHE  50   5.062   6.363  -3.746
  404    HE2  PHE  50           HE2      PHE  50   8.541   7.872  -5.788
  405    HZ   PHE  50           HZ       PHE  50   6.648   8.217  -4.215
  406    H    GLU  51           H        GLU  51   9.377   2.894  -8.349
  407    HA   GLU  51           HA       GLU  51   8.487   5.048  -9.982
  408   1HB   GLU  51          1HB       GLU  51  10.664   2.948 -10.356
  409   2HB   GLU  51          2HB       GLU  51  10.446   4.328 -11.440
  410   1HG   GLU  51          1HG       GLU  51  10.949   5.915  -9.728
  411   2HG   GLU  51          2HG       GLU  51  10.814   4.720  -8.439
  412    H    GLU  52           H        GLU  52   8.617   1.552 -10.601
  413    HA   GLU  52           HA       GLU  52   7.571   1.570 -13.211
  414   1HB   GLU  52          1HB       GLU  52   8.572  -0.420 -12.334
  415   2HB   GLU  52          2HB       GLU  52   7.438  -0.489 -10.986
  416   1HG   GLU  52          1HG       GLU  52   6.949  -2.205 -12.656
  417   2HG   GLU  52          2HG       GLU  52   5.595  -1.100 -12.433
  418    H    LEU  53           H        LEU  53   5.821   1.491 -10.106
  419    HA   LEU  53           HA       LEU  53   3.220   1.400 -11.388
  420   1HB   LEU  53          1HB       LEU  53   4.102   2.107  -8.569
  421   2HB   LEU  53          2HB       LEU  53   2.435   1.904  -9.106
  422    HG   LEU  53           HG       LEU  53   4.528  -0.303  -9.189
  423   1HD1  LEU  53          3HD1      LEU  53   3.917   0.386  -6.887
  424   2HD1  LEU  53          1HD1      LEU  53   2.201   0.134  -7.279
  425   3HD1  LEU  53          2HD1      LEU  53   3.332  -1.239  -7.281
  426   1HD2  LEU  53          3HD2      LEU  53   1.547  -0.360  -9.762
  427   2HD2  LEU  53          1HD2      LEU  53   2.880  -0.709 -10.895
  428   3HD2  LEU  53          2HD2      LEU  53   2.586  -1.791  -9.543
  429    H    ASP  54           H        ASP  54   5.132   4.009  -9.940
  430    HA   ASP  54           HA       ASP  54   3.138   6.050 -10.529
  431   1HB   ASP  54          1HB       ASP  54   4.508   6.337  -8.552
  432   2HB   ASP  54          2HB       ASP  54   5.970   6.226  -9.517
  433    H    LYS  55           H        LYS  55   3.100   5.192 -12.820
  434    HA   LYS  55           HA       LYS  55   5.059   6.044 -14.734
  435   1HB   LYS  55          1HB       LYS  55   2.081   5.510 -14.871
  436   2HB   LYS  55          2HB       LYS  55   3.003   6.009 -16.292
  437   1HG   LYS  55          1HG       LYS  55   3.916   3.641 -14.610
  438   2HG   LYS  55          2HG       LYS  55   2.658   3.473 -15.837
  439   1HD   LYS  55          1HD       LYS  55   4.143   4.359 -17.581
  440   2HD   LYS  55          2HD       LYS  55   5.454   4.567 -16.412
  441   1HE   LYS  55          1HE       LYS  55   4.146   1.878 -17.045
  442   2HE   LYS  55          2HE       LYS  55   5.610   2.487 -17.834
  443   1HZ   LYS  55          3HZ       LYS  55   6.674   2.573 -15.710
  444   2HZ   LYS  55          1HZ       LYS  55   5.332   1.996 -14.952
  445   3HZ   LYS  55          2HZ       LYS  55   6.140   1.048 -16.027
  446    H    ASN  56           H        ASN  56   2.411   7.723 -13.107
  447    HA   ASN  56           HA       ASN  56   2.310   9.980 -14.781
  448   1HB   ASN  56          1HB       ASN  56   0.821  10.882 -13.378
  449   2HB   ASN  56          2HB       ASN  56   0.728   9.234 -12.775
  450   1HD2  ASN  56          1HD2      ASN  56   1.736  10.319  -9.505
  451   2HD2  ASN  56          2HD2      ASN  56   1.040   9.025 -10.465
  452    H    GLY  57           H        GLY  57   4.421   9.347 -11.993
  453   1HA   GLY  57          1HA       GLY  57   6.679   9.930 -12.093
  454   2HA   GLY  57          2HA       GLY  57   6.331  11.346 -13.082
  455    H    ASP  58           H        ASP  58   4.006  11.722 -10.763
  456    HA   ASP  58           HA       ASP  58   5.563  13.801  -9.599
  457   1HB   ASP  58          1HB       ASP  58   3.594  14.599  -8.725
  458   2HB   ASP  58          2HB       ASP  58   3.101  13.864 -10.240
  459    H    GLY  59           H        GLY  59   5.935  10.703  -8.694
  460   1HA   GLY  59          1HA       GLY  59   7.102   9.932  -6.890
  461   2HA   GLY  59          2HA       GLY  59   7.012  11.523  -6.125
  462    H    GLU  60           H        GLU  60   4.177   9.686  -7.253
  463    HA   GLU  60           HA       GLU  60   3.714   8.206  -4.858
  464   1HB   GLU  60          1HB       GLU  60   1.818  10.485  -5.581
  465   2HB   GLU  60          2HB       GLU  60   1.469   9.195  -4.406
  466   1HG   GLU  60          1HG       GLU  60   3.387  10.085  -3.020
  467   2HG   GLU  60          2HG       GLU  60   3.359  11.516  -4.074
  468    H    VAL  61           H        VAL  61   1.690   6.847  -5.283
  469    HA   VAL  61           HA       VAL  61   1.437   6.401  -8.235
  470    HB   VAL  61           HB       VAL  61   0.978   4.450  -5.981
  471   1HG1  VAL  61          3HG1      VAL  61  -0.228   4.003  -8.172
  472   2HG1  VAL  61          1HG1      VAL  61   1.369   4.028  -8.967
  473   3HG1  VAL  61          2HG1      VAL  61   0.974   2.789  -7.741
  474   1HG2  VAL  61          1HG2      VAL  61   3.423   5.097  -6.166
  475   2HG2  VAL  61          2HG2      VAL  61   3.107   3.423  -6.660
  476   3HG2  VAL  61          3HG2      VAL  61   3.351   4.658  -7.885
  477    H    SER  62           H        SER  62  -0.469   7.209  -9.074
  478    HA   SER  62           HA       SER  62  -2.858   7.589  -7.493
  479   1HB   SER  62          1HB       SER  62  -2.956   7.674 -10.460
  480   2HB   SER  62          2HB       SER  62  -3.493   8.881  -9.285
  481    HG   SER  62           HG       SER  62  -1.361   9.636  -9.197
  482    H    PHE  63           H        PHE  63  -4.925   6.570  -7.769
  483    HA   PHE  63           HA       PHE  63  -4.847   3.830  -7.671
  484   1HB   PHE  63          1HB       PHE  63  -6.733   5.157  -6.873
  485   2HB   PHE  63          2HB       PHE  63  -7.248   5.457  -8.533
  486    HD1  PHE  63           HD1      PHE  63  -6.440   2.654  -6.155
  487    HD2  PHE  63           HD2      PHE  63  -8.746   3.870  -9.585
  488    HE1  PHE  63           HE1      PHE  63  -7.651   0.505  -6.092
  489    HE2  PHE  63           HE2      PHE  63  -9.972   1.717  -9.507
  490    HZ   PHE  63           HZ       PHE  63  -9.489   0.067  -7.692
  491    H    GLU  64           H        GLU  64  -5.621   5.758 -10.574
  492    HA   GLU  64           HA       GLU  64  -6.273   3.628 -12.271
  493   1HB   GLU  64          1HB       GLU  64  -5.856   5.226 -14.088
  494   2HB   GLU  64          2HB       GLU  64  -6.914   5.836 -12.808
  495   1HG   GLU  64          1HG       GLU  64  -3.988   6.532 -12.623
  496   2HG   GLU  64          2HG       GLU  64  -4.952   7.299 -13.882
  497    H    GLU  65           H        GLU  65  -3.067   4.727 -11.260
  498    HA   GLU  65           HA       GLU  65  -1.802   3.036 -13.377
  499   1HB   GLU  65          1HB       GLU  65   0.295   4.083 -12.723
  500   2HB   GLU  65          2HB       GLU  65  -0.898   5.194 -13.404
  501   1HG   GLU  65          1HG       GLU  65  -1.470   6.031 -11.173
  502   2HG   GLU  65          2HG       GLU  65  -0.342   4.880 -10.426
  503    H    PHE  66           H        PHE  66  -2.329   3.278  -9.877
  504    HA   PHE  66           HA       PHE  66  -0.800   1.074  -9.002
  505   1HB   PHE  66          1HB       PHE  66  -1.911   2.347  -7.374
  506   2HB   PHE  66          2HB       PHE  66  -3.405   2.323  -8.258
  507    HD1  PHE  66           HD1      PHE  66  -1.250   0.023  -6.203
  508    HD2  PHE  66           HD2      PHE  66  -5.127   0.868  -7.861
  509    HE1  PHE  66           HE1      PHE  66  -2.224  -1.883  -4.930
  510    HE2  PHE  66           HE2      PHE  66  -6.047  -1.164  -6.806
  511    HZ   PHE  66           HZ       PHE  66  -4.629  -2.435  -5.159
  512    H    GLN  67           H        GLN  67  -3.703   1.152 -11.059
  513    HA   GLN  67           HA       GLN  67  -4.341  -1.577 -11.023
  514   1HB   GLN  67          1HB       GLN  67  -4.301   0.167 -13.508
  515   2HB   GLN  67          2HB       GLN  67  -5.177  -1.350 -13.279
  516   1HG   GLN  67          1HG       GLN  67  -5.731   1.317 -11.975
  517   2HG   GLN  67          2HG       GLN  67  -6.788   0.360 -13.004
  518   1HE2  GLN  67          1HE2      GLN  67  -6.891  -0.124  -8.990
  519   2HE2  GLN  67          2HE2      GLN  67  -6.081   1.199  -9.819
  520    H    VAL  68           H        VAL  68  -1.359  -0.195 -12.280
  521    HA   VAL  68           HA       VAL  68  -0.551  -2.452 -13.850
  522    HB   VAL  68           HB       VAL  68   1.059  -0.366 -12.342
  523   1HG1  VAL  68          1HG1      VAL  68   1.964  -2.399 -14.424
  524   2HG1  VAL  68          2HG1      VAL  68   2.929  -1.023 -13.847
  525   3HG1  VAL  68          3HG1      VAL  68   2.498  -2.320 -12.730
  526   1HG2  VAL  68          1HG2      VAL  68  -0.389   0.515 -14.203
  527   2HG2  VAL  68          2HG2      VAL  68   1.334   0.646 -14.567
  528   3HG2  VAL  68          3HG2      VAL  68   0.367  -0.647 -15.304
  529    H    LEU  69           H        LEU  69  -0.616  -1.848 -10.340
  530    HA   LEU  69           HA       LEU  69   1.028  -4.153  -9.646
  531   1HB   LEU  69          1HB       LEU  69   0.740  -2.198  -8.163
  532   2HB   LEU  69          2HB       LEU  69  -0.979  -2.534  -7.987
  533    HG   LEU  69           HG       LEU  69   1.028  -4.659  -7.239
  534   1HD1  LEU  69          1HD1      LEU  69   0.197  -2.254  -5.557
  535   2HD1  LEU  69          2HD1      LEU  69   1.005  -3.699  -4.921
  536   3HD1  LEU  69          3HD1      LEU  69   1.839  -2.669  -6.096
  537   1HD2  LEU  69          3HD2      LEU  69  -1.724  -3.876  -6.134
  538   2HD2  LEU  69          1HD2      LEU  69  -1.403  -5.280  -7.150
  539   3HD2  LEU  69          2HD2      LEU  69  -0.718  -5.203  -5.533
  540    H    VAL  70           H        VAL  70  -2.460  -3.338  -9.840
  541    HA   VAL  70           HA       VAL  70  -3.471  -5.876  -9.098
  542    HB   VAL  70           HB       VAL  70  -4.746  -3.930 -11.068
  543   1HG1  VAL  70          1HG1      VAL  70  -5.924  -6.042  -9.217
  544   2HG1  VAL  70          2HG1      VAL  70  -6.853  -4.885 -10.192
  545   3HG1  VAL  70          3HG1      VAL  70  -5.867  -6.115 -10.990
  546   1HG2  VAL  70          3HG2      VAL  70  -4.701  -3.993  -8.022
  547   2HG2  VAL  70          1HG2      VAL  70  -4.192  -2.661  -9.050
  548   3HG2  VAL  70          2HG2      VAL  70  -5.903  -3.078  -8.961
  549    H    LYS  71           H        LYS  71  -2.469  -4.641 -12.299
  550    HA   LYS  71           HA       LYS  71  -2.995  -6.951 -13.834
  551   1HB   LYS  71          1HB       LYS  71  -2.502  -4.901 -14.899
  552   2HB   LYS  71          2HB       LYS  71  -0.947  -4.734 -14.083
  553   1HG   LYS  71          1HG       LYS  71  -0.050  -6.685 -15.254
  554   2HG   LYS  71          2HG       LYS  71  -1.579  -6.885 -16.134
  555   1HD   LYS  71          1HD       LYS  71   0.292  -4.458 -16.237
  556   2HD   LYS  71          2HD       LYS  71   0.194  -5.741 -17.453
  557   1HE   LYS  71          1HE       LYS  71  -2.219  -5.127 -17.851
  558   2HE   LYS  71          2HE       LYS  71  -2.013  -3.749 -16.750
  559   1HZ   LYS  71          3HZ       LYS  71  -0.305  -2.924 -18.184
  560   2HZ   LYS  71          1HZ       LYS  71  -0.497  -4.195 -19.217
  561   3HZ   LYS  71          2HZ       LYS  71  -1.720  -3.112 -19.005
  562    H    LYS  72           H        LYS  72   0.067  -6.018 -12.255
  563    HA   LYS  72           HA       LYS  72   1.459  -8.423 -12.688
  564   1HB   LYS  72          1HB       LYS  72   1.659  -6.287 -10.578
  565   2HB   LYS  72          2HB       LYS  72   2.405  -7.842 -10.233
  566   1HG   LYS  72          1HG       LYS  72   4.108  -6.552 -11.161
  567   2HG   LYS  72          2HG       LYS  72   3.655  -7.731 -12.396
  568   1HD   LYS  72          1HD       LYS  72   2.267  -5.913 -13.507
  569   2HD   LYS  72          2HD       LYS  72   2.859  -4.788 -12.267
  570   1HE   LYS  72          1HE       LYS  72   5.208  -5.235 -12.986
  571   2HE   LYS  72          2HE       LYS  72   4.599  -6.316 -14.256
  572   1HZ   LYS  72          3HZ       LYS  72   3.441  -4.437 -15.190
  573   2HZ   LYS  72          1HZ       LYS  72   4.040  -3.441 -14.020
  574   3HZ   LYS  72          2HZ       LYS  72   5.060  -4.149 -15.098
  575    H    ILE  73           H        ILE  73  -0.757  -7.729 -10.003
  576    HA   ILE  73           HA       ILE  73  -0.555 -10.275  -8.718
  577    HB   ILE  73           HB       ILE  73  -2.812  -8.249  -8.849
  578   1HG1  ILE  73          1HG1      ILE  73  -0.735  -7.519  -7.687
  579   2HG1  ILE  73          2HG1      ILE  73  -2.180  -7.562  -6.678
  580   1HG2  ILE  73          1HG2      ILE  73  -2.709 -10.795  -7.216
  581   2HG2  ILE  73          2HG2      ILE  73  -3.768  -9.415  -6.847
  582   3HG2  ILE  73          3HG2      ILE  73  -3.948 -10.271  -8.376
  583   1HD1  ILE  73          3HD1      ILE  73  -1.373  -9.745  -5.710
  584   2HD1  ILE  73          1HD1      ILE  73   0.120  -9.562  -6.663
  585   3HD1  ILE  73          2HD1      ILE  73  -0.309  -8.366  -5.426
  586    H    SER  74           H        SER  74  -2.794  -9.124 -11.199
  587    HA   SER  74           HA       SER  74  -3.879 -10.092 -12.882
  588   1HB   SER  74          1HB       SER  74  -1.679 -11.139 -13.320
  589   2HB   SER  74          2HB       SER  74  -2.175 -12.575 -12.410
  590    HG   SER  74           HG       SER  74  -2.539 -12.717 -14.701
  591    H    GLN  75           H        GLN  75  -3.480 -12.707 -10.528
  592    HA   GLN  75           HA       GLN  75  -5.943 -14.009 -10.938
  593   1HB   GLN  75          1HB       GLN  75  -5.484 -15.119  -8.807
  594   2HB   GLN  75          2HB       GLN  75  -4.014 -14.953  -9.769
  595   1HG   GLN  75          1HG       GLN  75  -3.811 -12.674  -8.274
  596   2HG   GLN  75          2HG       GLN  75  -4.760 -13.658  -7.167
  597   1HE2  GLN  75          1HE2      GLN  75  -0.812 -14.520  -7.958
  598   2HE2  GLN  75          2HE2      GLN  75  -1.678 -13.321  -8.913
   
  No H/Q in entry =         598
  Start of MODEL          18
 Raw file had  599 H/Q atoms
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1  -6.718 -10.623  -4.589
    2   2H    LYS   1          2H        LYS   1  -5.844  -9.200  -4.398
    3   3H    LYS   1          3H        LYS   1  -6.124 -10.198  -3.074
    4    HA   LYS   1           HA       LYS   1  -8.462  -9.797  -3.203
    5   1HB   LYS   1          1HB       LYS   1  -6.574  -7.405  -3.046
    6   2HB   LYS   1          2HB       LYS   1  -8.293  -7.250  -2.788
    7   1HG   LYS   1          1HG       LYS   1  -7.711  -7.575  -0.625
    8   2HG   LYS   1          2HG       LYS   1  -7.924  -9.271  -1.070
    9   1HD   LYS   1          1HD       LYS   1  -5.430  -9.294  -1.643
   10   2HD   LYS   1          2HD       LYS   1  -5.327  -7.680  -0.920
   11   1HE   LYS   1          1HE       LYS   1  -6.153 -10.282   0.459
   12   2HE   LYS   1          2HE       LYS   1  -4.629  -9.410   0.683
   13   1HZ   LYS   1          1HZ       LYS   1  -7.294  -8.391   1.389
   14   2HZ   LYS   1          2HZ       LYS   1  -6.176  -8.985   2.439
   15   3HZ   LYS   1          3HZ       LYS   1  -5.871  -7.591   1.624
   16    H    SER   2           H        SER   2 -10.205  -8.477  -4.155
   17    HA   SER   2           HA       SER   2 -10.111  -8.522  -7.044
   18   1HB   SER   2          1HB       SER   2 -12.457  -7.663  -6.757
   19   2HB   SER   2          2HB       SER   2 -12.136  -9.094  -5.766
   20    HG   SER   2           HG       SER   2 -13.118  -7.526  -4.482
   21    HA   PRO   3           HA       PRO   3  -9.019  -4.188  -7.825
   22   1HB   PRO   3          1HB       PRO   3 -11.725  -4.046  -9.179
   23   2HB   PRO   3          2HB       PRO   3 -10.168  -3.352  -9.718
   24   1HG   PRO   3          1HG       PRO   3 -11.016  -5.687 -10.792
   25   2HG   PRO   3          2HG       PRO   3  -9.315  -5.539 -10.257
   26   1HD   PRO   3          1HD       PRO   3 -11.617  -6.851  -8.804
   27   2HD   PRO   3          2HD       PRO   3  -9.938  -7.429  -9.026
   28    H    GLU   4           H        GLU   4 -12.394  -4.879  -6.833
   29    HA   GLU   4           HA       GLU   4 -13.009  -2.405  -5.626
   30   1HB   GLU   4          1HB       GLU   4 -14.659  -4.155  -6.201
   31   2HB   GLU   4          2HB       GLU   4 -13.990  -5.209  -4.943
   32   1HG   GLU   4          1HG       GLU   4 -14.663  -3.562  -3.206
   33   2HG   GLU   4          2HG       GLU   4 -15.280  -2.485  -4.472
   34    H    GLU   5           H        GLU   5 -11.646  -5.386  -4.174
   35    HA   GLU   5           HA       GLU   5 -11.503  -4.215  -1.525
   36   1HB   GLU   5          1HB       GLU   5 -10.319  -6.659  -2.859
   37   2HB   GLU   5          2HB       GLU   5  -9.878  -6.217  -1.194
   38   1HG   GLU   5          1HG       GLU   5 -12.738  -6.677  -2.167
   39   2HG   GLU   5          2HG       GLU   5 -11.739  -7.903  -1.374
   40    H    LEU   6           H        LEU   6  -9.279  -4.508  -4.260
   41    HA   LEU   6           HA       LEU   6  -7.016  -3.358  -3.020
   42   1HB   LEU   6          1HB       LEU   6  -7.907  -3.568  -5.912
   43   2HB   LEU   6          2HB       LEU   6  -6.424  -2.797  -5.457
   44    HG   LEU   6           HG       LEU   6  -7.120  -5.576  -4.407
   45   1HD1  LEU   6          3HD1      LEU   6  -7.168  -5.766  -6.871
   46   2HD1  LEU   6          1HD1      LEU   6  -5.533  -5.067  -6.928
   47   3HD1  LEU   6          2HD1      LEU   6  -5.795  -6.620  -6.129
   48   1HD2  LEU   6          3HD2      LEU   6  -4.464  -4.128  -4.891
   49   2HD2  LEU   6          1HD2      LEU   6  -5.181  -4.460  -3.296
   50   3HD2  LEU   6          2HD2      LEU   6  -4.631  -5.785  -4.327
   51    H    LYS   7           H        LYS   7  -9.753  -1.786  -4.707
   52    HA   LYS   7           HA       LYS   7  -8.763   0.856  -4.341
   53   1HB   LYS   7          1HB       LYS   7 -10.763   0.228  -5.715
   54   2HB   LYS   7          2HB       LYS   7 -11.669  -0.089  -4.253
   55   1HG   LYS   7          1HG       LYS   7 -12.264   2.062  -5.159
   56   2HG   LYS   7          2HG       LYS   7 -11.572   2.226  -3.545
   57   1HD   LYS   7          1HD       LYS   7  -9.418   2.976  -4.499
   58   2HD   LYS   7          2HD       LYS   7 -10.034   2.720  -6.140
   59   1HE   LYS   7          1HE       LYS   7 -11.176   4.704  -4.119
   60   2HE   LYS   7          2HE       LYS   7 -10.042   5.101  -5.420
   61   1HZ   LYS   7          3HZ       LYS   7 -11.675   4.340  -6.992
   62   2HZ   LYS   7          1HZ       LYS   7 -12.745   4.020  -5.779
   63   3HZ   LYS   7          2HZ       LYS   7 -12.262   5.569  -6.063
   64    H    GLY   8           H        GLY   8 -10.769  -1.167  -2.247
   65   1HA   GLY   8          1HA       GLY   8 -11.224   0.665  -0.124
   66   2HA   GLY   8          2HA       GLY   8 -11.123  -1.097   0.068
   67    H    ILE   9           H        ILE   9  -8.667  -1.756  -0.466
   68    HA   ILE   9           HA       ILE   9  -6.906  -1.100   1.665
   69    HB   ILE   9           HB       ILE   9  -6.536  -2.277  -1.101
   70   1HG1  ILE   9          1HG1      ILE   9  -6.624  -3.516   1.689
   71   2HG1  ILE   9          2HG1      ILE   9  -7.972  -3.502   0.549
   72   1HG2  ILE   9          3HG2      ILE   9  -4.389  -1.293  -0.343
   73   2HG2  ILE   9          1HG2      ILE   9  -4.512  -2.248   1.146
   74   3HG2  ILE   9          2HG2      ILE   9  -4.321  -3.039  -0.434
   75   1HD1  ILE   9          3HD1      ILE   9  -6.596  -4.796  -1.075
   76   2HD1  ILE   9          1HD1      ILE   9  -5.302  -4.894   0.143
   77   3HD1  ILE   9          2HD1      ILE   9  -6.872  -5.642   0.463
   78    H    PHE  10           H        PHE  10  -6.829   0.036  -1.758
   79    HA   PHE  10           HA       PHE  10  -4.605   1.670  -1.549
   80   1HB   PHE  10          1HB       PHE  10  -5.789   1.082  -3.663
   81   2HB   PHE  10          2HB       PHE  10  -7.119   2.110  -3.206
   82    HD1  PHE  10           HD1      PHE  10  -6.829   4.598  -3.009
   83    HD2  PHE  10           HD2      PHE  10  -3.774   2.008  -4.635
   84    HE1  PHE  10           HE1      PHE  10  -5.693   6.530  -3.960
   85    HE2  PHE  10           HE2      PHE  10  -2.612   4.001  -5.575
   86    HZ   PHE  10           HZ       PHE  10  -3.530   6.256  -5.182
   87    H    GLU  11           H        GLU  11  -8.035   2.483  -0.893
   88    HA   GLU  11           HA       GLU  11  -7.560   5.217  -0.161
   89   1HB   GLU  11          1HB       GLU  11  -9.818   3.288   0.511
   90   2HB   GLU  11          2HB       GLU  11  -9.824   5.008   0.932
   91   1HG   GLU  11          1HG       GLU  11  -9.675   5.660  -1.411
   92   2HG   GLU  11          2HG       GLU  11  -9.510   3.980  -1.928
   93    H    LYS  12           H        LYS  12  -8.013   2.258   1.850
   94    HA   LYS  12           HA       LYS  12  -7.711   3.308   4.403
   95   1HB   LYS  12          1HB       LYS  12  -8.260   1.030   4.202
   96   2HB   LYS  12          2HB       LYS  12  -6.857   0.657   3.196
   97   1HG   LYS  12          1HG       LYS  12  -5.342   0.630   4.932
   98   2HG   LYS  12          2HG       LYS  12  -6.342   1.689   5.955
   99   1HD   LYS  12          1HD       LYS  12  -6.607  -0.237   7.095
  100   2HD   LYS  12          2HD       LYS  12  -8.029  -0.304   6.062
  101   1HE   LYS  12          1HE       LYS  12  -5.376  -1.790   5.699
  102   2HE   LYS  12          2HE       LYS  12  -6.918  -2.487   6.207
  103   1HZ   LYS  12          3HZ       LYS  12  -7.815  -1.879   4.060
  104   2HZ   LYS  12          1HZ       LYS  12  -6.336  -1.311   3.597
  105   3HZ   LYS  12          2HZ       LYS  12  -6.534  -2.913   3.929
  106    H    TYR  13           H        TYR  13  -5.083   2.277   2.197
  107    HA   TYR  13           HA       TYR  13  -3.055   3.095   4.132
  108   1HB   TYR  13          1HB       TYR  13  -2.963   1.957   1.352
  109   2HB   TYR  13          2HB       TYR  13  -1.518   2.502   2.210
  110    HD1  TYR  13           HD1      TYR  13  -1.000   1.607   4.484
  111    HD2  TYR  13           HD2      TYR  13  -4.137  -0.170   2.145
  112    HE1  TYR  13           HE1      TYR  13  -1.004  -0.401   5.957
  113    HE2  TYR  13           HE2      TYR  13  -4.005  -2.211   3.431
  114    HH   TYR  13           HH       TYR  13  -1.815  -2.638   6.193
  115    H    ALA  14           H        ALA  14  -4.075   4.330   0.963
  116    HA   ALA  14           HA       ALA  14  -2.384   6.554   0.735
  117   1HB   ALA  14          1HB       ALA  14  -5.259   6.275  -0.196
  118   2HB   ALA  14          2HB       ALA  14  -4.101   7.485  -0.775
  119   3HB   ALA  14          3HB       ALA  14  -3.815   5.772  -1.108
  120    H    ALA  15           H        ALA  15  -5.434   6.334   2.526
  121    HA   ALA  15           HA       ALA  15  -5.893   8.955   3.266
  122   1HB   ALA  15          3HB       ALA  15  -7.262   7.057   4.028
  123   2HB   ALA  15          1HB       ALA  15  -5.942   6.516   5.092
  124   3HB   ALA  15          2HB       ALA  15  -6.757   8.063   5.401
  125    H    LYS  16           H        LYS  16  -3.297   6.823   4.558
  126    HA   LYS  16           HA       LYS  16  -2.501   8.627   6.661
  127   1HB   LYS  16          1HB       LYS  16  -1.139   6.318   5.272
  128   2HB   LYS  16          2HB       LYS  16  -0.450   7.140   6.672
  129   1HG   LYS  16          1HG       LYS  16  -1.972   6.274   8.161
  130   2HG   LYS  16          2HG       LYS  16  -3.292   6.243   7.002
  131   1HD   LYS  16          1HD       LYS  16  -2.572   3.975   7.707
  132   2HD   LYS  16          2HD       LYS  16  -2.570   4.257   5.969
  133   1HE   LYS  16          1HE       LYS  16  -0.592   2.957   6.762
  134   2HE   LYS  16          2HE       LYS  16  -0.149   4.429   5.900
  135   1HZ   LYS  16          3HZ       LYS  16   0.163   5.500   8.027
  136   2HZ   LYS  16          1HZ       LYS  16  -0.226   4.111   8.826
  137   3HZ   LYS  16          2HZ       LYS  16   1.130   4.177   7.889
  138    H    GLU  17           H        GLU  17  -1.829   8.593   3.207
  139    HA   GLU  17           HA       GLU  17   0.556  10.256   3.334
  140   1HB   GLU  17          1HB       GLU  17  -0.199   8.853   1.329
  141   2HB   GLU  17          2HB       GLU  17  -1.486  10.040   1.078
  142   1HG   GLU  17          1HG       GLU  17   0.312  11.833   0.902
  143   2HG   GLU  17          2HG       GLU  17   1.518  10.546   0.993
  144    H    GLY  18           H        GLY  18  -2.907  10.698   3.702
  145   1HA   GLY  18          1HA       GLY  18  -3.843  12.742   4.543
  146   2HA   GLY  18          2HA       GLY  18  -2.679  13.686   3.596
  147    H    ASP  19           H        ASP  19  -2.712  12.281   1.174
  148    HA   ASP  19           HA       ASP  19  -5.317  13.097   0.093
  149   1HB   ASP  19          1HB       ASP  19  -3.367  13.914  -1.041
  150   2HB   ASP  19          2HB       ASP  19  -2.757  12.267  -1.271
  151    HA   PRO  20           HA       PRO  20  -6.260   8.566   0.464
  152   1HB   PRO  20          1HB       PRO  20  -8.835   8.732  -0.553
  153   2HB   PRO  20          2HB       PRO  20  -8.399   8.963   1.174
  154   1HG   PRO  20          1HG       PRO  20  -8.855  11.038  -0.981
  155   2HG   PRO  20          2HG       PRO  20  -9.452  11.060   0.705
  156   1HD   PRO  20          1HD       PRO  20  -7.317  12.479  -0.030
  157   2HD   PRO  20          2HD       PRO  20  -7.291  11.616   1.538
  158    H    ASN  21           H        ASN  21  -6.428  10.684  -2.335
  159    HA   ASN  21           HA       ASN  21  -6.973   8.606  -4.267
  160   1HB   ASN  21          1HB       ASN  21  -5.882  11.412  -4.650
  161   2HB   ASN  21          2HB       ASN  21  -6.571  10.364  -5.882
  162   1HD2  ASN  21          1HD2      ASN  21  -9.015  12.574  -3.507
  163   2HD2  ASN  21          2HD2      ASN  21  -7.271  12.567  -3.263
  164    H    GLN  22           H        GLN  22  -4.093   9.272  -2.485
  165    HA   GLN  22           HA       GLN  22  -2.403   8.151  -4.665
  166   1HB   GLN  22          1HB       GLN  22  -2.584  10.574  -4.899
  167   2HB   GLN  22          2HB       GLN  22  -1.993  10.796  -3.252
  168   1HG   GLN  22          1HG       GLN  22   0.194   9.957  -3.883
  169   2HG   GLN  22          2HG       GLN  22  -0.423   9.336  -5.427
  170   1HE2  GLN  22          1HE2      GLN  22   0.651  13.257  -5.180
  171   2HE2  GLN  22          2HE2      GLN  22   0.836  12.191  -3.796
  172    H    LEU  23           H        LEU  23  -0.796   6.802  -4.028
  173    HA   LEU  23           HA       LEU  23  -0.288   6.417  -1.134
  174   1HB   LEU  23          1HB       LEU  23   0.332   4.740  -3.578
  175   2HB   LEU  23          2HB       LEU  23   0.777   4.370  -1.935
  176    HG   LEU  23           HG       LEU  23  -2.128   4.687  -2.765
  177   1HD1  LEU  23          1HD1      LEU  23  -0.392   2.188  -2.603
  178   2HD1  LEU  23          2HD1      LEU  23  -2.139   2.189  -2.873
  179   3HD1  LEU  23          3HD1      LEU  23  -1.047   2.884  -4.098
  180   1HD2  LEU  23          1HD2      LEU  23  -1.566   4.757  -0.301
  181   2HD2  LEU  23          2HD2      LEU  23  -2.587   3.384  -0.761
  182   3HD2  LEU  23          3HD2      LEU  23  -0.858   3.137  -0.461
  183    H    SER  24           H        SER  24   1.675   6.998  -0.307
  184    HA   SER  24           HA       SER  24   3.925   7.834  -1.974
  185   1HB   SER  24          1HB       SER  24   4.991   8.273   0.160
  186   2HB   SER  24          2HB       SER  24   3.317   8.828   0.281
  187    HG   SER  24           HG       SER  24   3.266   7.548   1.961
  188    H    LYS  25           H        LYS  25   6.142   6.721  -1.331
  189    HA   LYS  25           HA       LYS  25   6.104   3.925  -1.861
  190   1HB   LYS  25          1HB       LYS  25   8.180   5.684  -0.443
  191   2HB   LYS  25          2HB       LYS  25   8.421   3.971  -0.809
  192   1HG   LYS  25          1HG       LYS  25   8.086   4.442  -3.227
  193   2HG   LYS  25          2HG       LYS  25   8.014   6.178  -2.853
  194   1HD   LYS  25          1HD       LYS  25  10.325   6.003  -1.863
  195   2HD   LYS  25          2HD       LYS  25  10.336   4.277  -2.252
  196   1HE   LYS  25          1HE       LYS  25  11.576   5.405  -3.975
  197   2HE   LYS  25          2HE       LYS  25  10.053   4.856  -4.692
  198   1HZ   LYS  25          3HZ       LYS  25   9.206   7.076  -4.394
  199   2HZ   LYS  25          1HZ       LYS  25  10.639   7.578  -3.750
  200   3HZ   LYS  25          2HZ       LYS  25  10.567   7.078  -5.321
  201    H    GLU  26           H        GLU  26   5.952   5.771   1.192
  202    HA   GLU  26           HA       GLU  26   6.406   3.444   2.837
  203   1HB   GLU  26          1HB       GLU  26   5.054   6.095   3.616
  204   2HB   GLU  26          2HB       GLU  26   5.807   4.911   4.695
  205   1HG   GLU  26          1HG       GLU  26   7.978   5.321   3.438
  206   2HG   GLU  26          2HG       GLU  26   7.202   6.695   2.641
  207    H    GLU  27           H        GLU  27   3.546   5.257   1.851
  208    HA   GLU  27           HA       GLU  27   1.656   3.546   3.189
  209   1HB   GLU  27          1HB       GLU  27   1.445   5.414   0.832
  210   2HB   GLU  27          2HB       GLU  27   0.127   4.309   1.230
  211   1HG   GLU  27          1HG       GLU  27  -0.289   6.454   2.298
  212   2HG   GLU  27          2HG       GLU  27  -0.083   5.147   3.467
  213    H    LEU  28           H        LEU  28   3.027   3.309  -0.209
  214    HA   LEU  28           HA       LEU  28   1.838   0.781  -0.701
  215   1HB   LEU  28          1HB       LEU  28   4.366   2.130  -1.681
  216   2HB   LEU  28          2HB       LEU  28   4.021   0.459  -2.157
  217    HG   LEU  28           HG       LEU  28   1.908   2.548  -2.336
  218   1HD1  LEU  28          1HD1      LEU  28   4.027   2.014  -4.437
  219   2HD1  LEU  28          2HD1      LEU  28   2.534   2.947  -4.709
  220   3HD1  LEU  28          3HD1      LEU  28   3.731   3.537  -3.541
  221   1HD2  LEU  28          1HD2      LEU  28   1.262   0.131  -2.737
  222   2HD2  LEU  28          2HD2      LEU  28   1.080   1.079  -4.219
  223   3HD2  LEU  28          3HD2      LEU  28   2.492   0.033  -4.005
  224    H    LYS  29           H        LYS  29   4.854   1.476   1.045
  225    HA   LYS  29           HA       LYS  29   5.599  -1.281   1.127
  226   1HB   LYS  29          1HB       LYS  29   7.020   0.746   1.720
  227   2HB   LYS  29          2HB       LYS  29   6.118   0.924   3.203
  228   1HG   LYS  29          1HG       LYS  29   6.868  -1.323   3.964
  229   2HG   LYS  29          2HG       LYS  29   7.751  -1.546   2.441
  230   1HD   LYS  29          1HD       LYS  29   9.148   0.452   2.970
  231   2HD   LYS  29          2HD       LYS  29   8.291   0.647   4.507
  232   1HE   LYS  29          1HE       LYS  29   9.948  -1.793   3.685
  233   2HE   LYS  29          2HE       LYS  29  10.480  -0.504   4.775
  234   1HZ   LYS  29          3HZ       LYS  29   8.696  -1.094   6.252
  235   2HZ   LYS  29          1HZ       LYS  29   8.226  -2.322   5.255
  236   3HZ   LYS  29          2HZ       LYS  29   9.701  -2.373   5.988
  237    H    LEU  30           H        LEU  30   3.835   0.712   3.437
  238    HA   LEU  30           HA       LEU  30   3.234  -1.429   5.251
  239   1HB   LEU  30          1HB       LEU  30   1.704   1.144   4.703
  240   2HB   LEU  30          2HB       LEU  30   1.394   0.077   6.079
  241    HG   LEU  30           HG       LEU  30   4.076   1.456   5.571
  242   1HD1  LEU  30          3HD1      LEU  30   2.273   3.084   6.015
  243   2HD1  LEU  30          1HD1      LEU  30   1.828   2.178   7.483
  244   3HD1  LEU  30          2HD1      LEU  30   3.408   2.984   7.372
  245   1HD2  LEU  30          3HD2      LEU  30   2.981  -0.076   7.974
  246   2HD2  LEU  30          1HD2      LEU  30   4.354  -0.553   6.951
  247   3HD2  LEU  30          2HD2      LEU  30   4.475   0.881   7.970
  248    H    LEU  31           H        LEU  31   1.354  -0.170   2.535
  249    HA   LEU  31           HA       LEU  31  -0.869  -1.882   2.634
  250   1HB   LEU  31          1HB       LEU  31  -0.549   0.041   1.126
  251   2HB   LEU  31          2HB       LEU  31   0.622  -0.868   0.180
  252    HG   LEU  31           HG       LEU  31  -2.249  -1.740   0.541
  253   1HD1  LEU  31          1HD1      LEU  31  -0.978  -0.027  -1.640
  254   2HD1  LEU  31          2HD1      LEU  31  -2.621  -0.680  -1.719
  255   3HD1  LEU  31          3HD1      LEU  31  -2.204   0.506  -0.472
  256   1HD2  LEU  31          3HD2      LEU  31  -0.091  -2.503  -1.483
  257   2HD2  LEU  31          1HD2      LEU  31  -0.933  -3.586  -0.349
  258   3HD2  LEU  31          2HD2      LEU  31  -1.811  -2.880  -1.694
  259    H    LEU  32           H        LEU  32   2.196  -2.366   0.922
  260    HA   LEU  32           HA       LEU  32   1.626  -5.005  -0.009
  261   1HB   LEU  32          1HB       LEU  32   4.259  -3.587   0.605
  262   2HB   LEU  32          2HB       LEU  32   4.167  -5.162  -0.184
  263    HG   LEU  32           HG       LEU  32   2.731  -2.752  -1.365
  264   1HD1  LEU  32          1HD1      LEU  32   5.597  -3.662  -1.908
  265   2HD1  LEU  32          2HD1      LEU  32   4.710  -2.407  -2.800
  266   3HD1  LEU  32          3HD1      LEU  32   5.134  -2.150  -1.101
  267   1HD2  LEU  32          1HD2      LEU  32   2.128  -4.997  -2.228
  268   2HD2  LEU  32          2HD2      LEU  32   2.980  -4.021  -3.439
  269   3HD2  LEU  32          3HD2      LEU  32   3.852  -5.296  -2.564
  270    H    GLN  33           H        GLN  33   3.504  -3.903   2.871
  271    HA   GLN  33           HA       GLN  33   4.161  -6.420   3.845
  272   1HB   GLN  33          1HB       GLN  33   5.102  -4.292   4.656
  273   2HB   GLN  33          2HB       GLN  33   3.559  -3.874   5.417
  274   1HG   GLN  33          1HG       GLN  33   3.756  -5.723   6.984
  275   2HG   GLN  33          2HG       GLN  33   5.184  -6.351   6.147
  276   1HE2  GLN  33          1HE2      GLN  33   7.392  -3.830   7.468
  277   2HE2  GLN  33          2HE2      GLN  33   7.126  -4.834   6.047
  278    H    THR  34           H        THR  34   1.214  -4.558   4.512
  279    HA   THR  34           HA       THR  34   0.253  -6.567   6.388
  280    HB   THR  34           HB       THR  34  -1.538  -4.564   5.033
  281    HG1  THR  34           HG1      THR  34   0.357  -3.448   5.781
  282   1HG2  THR  34          3HG2      THR  34  -2.516  -6.230   6.623
  283   2HG2  THR  34          1HG2      THR  34  -1.410  -5.648   7.884
  284   3HG2  THR  34          2HG2      THR  34  -2.663  -4.576   7.235
  285    H    GLU  35           H        GLU  35  -0.643  -5.672   2.987
  286    HA   GLU  35           HA       GLU  35  -2.738  -7.715   2.991
  287   1HB   GLU  35          1HB       GLU  35  -1.948  -5.546   0.992
  288   2HB   GLU  35          2HB       GLU  35  -3.388  -6.567   0.922
  289   1HG   GLU  35          1HG       GLU  35  -2.649  -4.492   3.050
  290   2HG   GLU  35          2HG       GLU  35  -3.861  -4.325   1.801
  291    H    PHE  36           H        PHE  36   0.453  -7.243   1.602
  292    HA   PHE  36           HA       PHE  36   0.310  -9.847   0.184
  293   1HB   PHE  36          1HB       PHE  36   1.083  -7.222  -1.127
  294   2HB   PHE  36          2HB       PHE  36   1.183  -8.832  -1.829
  295    HD1  PHE  36           HD1      PHE  36  -1.005 -10.212  -2.040
  296    HD2  PHE  36           HD2      PHE  36  -0.865  -5.936  -1.496
  297    HE1  PHE  36           HE1      PHE  36  -3.215 -10.001  -3.161
  298    HE2  PHE  36           HE2      PHE  36  -3.073  -5.738  -2.671
  299    HZ   PHE  36           HZ       PHE  36  -4.252  -7.794  -3.440
  300    HA   PRO  37           HA       PRO  37   4.322  -8.831   2.398
  301   1HB   PRO  37          1HB       PRO  37   4.647 -11.257   3.675
  302   2HB   PRO  37          2HB       PRO  37   3.734  -9.871   4.336
  303   1HG   PRO  37          1HG       PRO  37   2.625 -12.256   2.841
  304   2HG   PRO  37          2HG       PRO  37   2.040 -11.555   4.379
  305   1HD   PRO  37          1HD       PRO  37   0.855 -10.949   2.036
  306   2HD   PRO  37          2HD       PRO  37   1.107  -9.662   3.246
  307    H    SER  38           H        SER  38   3.202 -11.193   0.077
  308    HA   SER  38           HA       SER  38   5.738 -12.339  -0.700
  309   1HB   SER  38          1HB       SER  38   4.222 -12.688  -2.801
  310   2HB   SER  38          2HB       SER  38   3.724 -13.480  -1.292
  311    HG   SER  38           HG       SER  38   1.974 -12.334  -2.251
  312    H    LEU  39           H        LEU  39   3.511  -9.977  -2.110
  313    HA   LEU  39           HA       LEU  39   5.294  -8.914  -4.022
  314   1HB   LEU  39          1HB       LEU  39   2.880  -7.617  -2.761
  315   2HB   LEU  39          2HB       LEU  39   3.694  -7.028  -4.222
  316    HG   LEU  39           HG       LEU  39   2.369  -9.754  -3.946
  317   1HD1  LEU  39          3HD1      LEU  39   0.784  -7.782  -3.989
  318   2HD1  LEU  39          1HD1      LEU  39   1.484  -7.308  -5.546
  319   3HD1  LEU  39          2HD1      LEU  39   0.628  -8.858  -5.385
  320   1HD2  LEU  39          3HD2      LEU  39   3.663  -8.384  -6.343
  321   2HD2  LEU  39          1HD2      LEU  39   4.146  -9.927  -5.598
  322   3HD2  LEU  39          2HD2      LEU  39   2.609  -9.807  -6.451
  323    H    LEU  40           H        LEU  40   4.888  -8.032  -0.631
  324    HA   LEU  40           HA       LEU  40   6.429  -5.681  -0.578
  325   1HB   LEU  40          1HB       LEU  40   5.353  -6.706   1.448
  326   2HB   LEU  40          2HB       LEU  40   6.569  -7.989   1.392
  327    HG   LEU  40           HG       LEU  40   8.367  -6.193   1.669
  328   1HD1  LEU  40          1HD1      LEU  40   5.936  -4.486   2.354
  329   2HD1  LEU  40          2HD1      LEU  40   7.626  -4.058   2.688
  330   3HD1  LEU  40          3HD1      LEU  40   7.067  -4.200   1.017
  331   1HD2  LEU  40          1HD2      LEU  40   7.663  -7.659   3.494
  332   2HD2  LEU  40          2HD2      LEU  40   8.072  -6.034   4.069
  333   3HD2  LEU  40          3HD2      LEU  40   6.373  -6.521   3.924
  334    H    LYS  41           H        LYS  41   7.557  -9.055  -0.809
  335    HA   LYS  41           HA       LYS  41  10.380  -8.303  -0.900
  336   1HB   LYS  41          1HB       LYS  41   9.004 -10.914  -1.685
  337   2HB   LYS  41          2HB       LYS  41  10.717 -10.630  -1.417
  338   1HG   LYS  41          1HG       LYS  41  10.265 -10.074   0.962
  339   2HG   LYS  41          2HG       LYS  41   8.536 -10.381   0.701
  340   1HD   LYS  41          1HD       LYS  41   9.096 -12.714  -0.047
  341   2HD   LYS  41          2HD       LYS  41  10.778 -12.431   0.432
  342   1HE   LYS  41          1HE       LYS  41   8.319 -12.279   2.254
  343   2HE   LYS  41          2HE       LYS  41   9.479 -13.617   2.190
  344   1HZ   LYS  41          3HZ       LYS  41  11.182 -12.093   2.902
  345   2HZ   LYS  41          1HZ       LYS  41  10.092 -10.860   2.988
  346   3HZ   LYS  41          2HZ       LYS  41   9.949 -12.156   3.993
  347    H    GLY  42           H        GLY  42   7.896  -9.525  -3.105
  348   1HA   GLY  42          1HA       GLY  42   7.343  -8.976  -5.264
  349   2HA   GLY  42          2HA       GLY  42   8.400  -7.568  -5.121
  350    H    GLY  43           H        GLY  43  10.851  -8.241  -5.144
  351   1HA   GLY  43          1HA       GLY  43  11.968 -10.418  -6.329
  352   2HA   GLY  43          2HA       GLY  43  11.346  -9.530  -7.735
  353    H    SER  44           H        SER  44  11.780  -6.967  -7.430
  354    HA   SER  44           HA       SER  44  14.723  -6.743  -7.290
  355   1HB   SER  44          1HB       SER  44  14.190  -4.633  -8.574
  356   2HB   SER  44          2HB       SER  44  13.702  -6.143  -9.360
  357    HG   SER  44           HG       SER  44  11.955  -4.803  -9.473
  358    H    THR  45           H        THR  45  12.388  -4.139  -6.828
  359    HA   THR  45           HA       THR  45  12.989  -3.828  -3.978
  360    HB   THR  45           HB       THR  45  13.807  -1.485  -4.232
  361    HG1  THR  45           HG1      THR  45  14.128  -2.197  -6.949
  362   1HG2  THR  45          3HG2      THR  45  15.469  -3.325  -3.913
  363   2HG2  THR  45          1HG2      THR  45  15.690  -3.391  -5.675
  364   3HG2  THR  45          2HG2      THR  45  16.098  -1.917  -4.789
  365    H    LEU  46           H        LEU  46  11.655  -2.225  -2.977
  366    HA   LEU  46           HA       LEU  46   9.014  -1.869  -3.966
  367   1HB   LEU  46          1HB       LEU  46  10.555  -0.026  -2.092
  368   2HB   LEU  46          2HB       LEU  46   8.799  -0.299  -2.110
  369    HG   LEU  46           HG       LEU  46  11.046  -2.115  -1.202
  370   1HD1  LEU  46          3HD1      LEU  46  10.476  -0.301   0.346
  371   2HD1  LEU  46          1HD1      LEU  46   8.768  -0.786   0.320
  372   3HD1  LEU  46          2HD1      LEU  46   9.993  -1.864   1.028
  373   1HD2  LEU  46          3HD2      LEU  46   8.027  -2.681  -1.261
  374   2HD2  LEU  46          1HD2      LEU  46   9.267  -3.557  -2.185
  375   3HD2  LEU  46          2HD2      LEU  46   9.227  -3.684  -0.421
  376    H    ASP  47           H        ASP  47  11.930   0.099  -3.936
  377    HA   ASP  47           HA       ASP  47  11.051   2.427  -5.193
  378   1HB   ASP  47          1HB       ASP  47  13.718   0.982  -5.482
  379   2HB   ASP  47          2HB       ASP  47  13.408   2.672  -5.898
  380    H    GLU  48           H        GLU  48  12.560  -0.366  -6.841
  381    HA   GLU  48           HA       GLU  48  12.045   0.547  -9.445
  382   1HB   GLU  48          1HB       GLU  48  13.543  -1.360  -8.893
  383   2HB   GLU  48          2HB       GLU  48  12.109  -2.360  -8.552
  384   1HG   GLU  48          1HG       GLU  48  11.370  -1.990 -10.939
  385   2HG   GLU  48          2HG       GLU  48  12.843  -1.051 -11.219
  386    H    LEU  49           H        LEU  49   9.970  -1.476  -7.360
  387    HA   LEU  49           HA       LEU  49   7.856  -1.757  -9.268
  388   1HB   LEU  49          1HB       LEU  49   7.774  -1.678  -6.234
  389   2HB   LEU  49          2HB       LEU  49   6.376  -2.065  -7.236
  390    HG   LEU  49           HG       LEU  49   8.981  -3.653  -7.335
  391   1HD1  LEU  49          1HD1      LEU  49   6.416  -4.217  -5.784
  392   2HD1  LEU  49          2HD1      LEU  49   7.798  -5.320  -5.948
  393   3HD1  LEU  49          3HD1      LEU  49   7.992  -3.790  -5.082
  394   1HD2  LEU  49          3HD2      LEU  49   6.167  -4.237  -8.365
  395   2HD2  LEU  49          1HD2      LEU  49   7.611  -3.949  -9.360
  396   3HD2  LEU  49          2HD2      LEU  49   7.513  -5.393  -8.352
  397    H    PHE  50           H        PHE  50   8.427   0.774  -6.846
  398    HA   PHE  50           HA       PHE  50   6.070   2.270  -7.237
  399   1HB   PHE  50          1HB       PHE  50   7.711   2.503  -5.381
  400   2HB   PHE  50          2HB       PHE  50   8.853   3.240  -6.485
  401    HD1  PHE  50           HD2      PHE  50   5.686   3.680  -4.670
  402    HD2  PHE  50           HD1      PHE  50   8.539   5.582  -7.268
  403    HE1  PHE  50           HE2      PHE  50   4.967   5.893  -3.836
  404    HE2  PHE  50           HE1      PHE  50   7.849   7.795  -6.394
  405    HZ   PHE  50           HZ       PHE  50   6.239   7.923  -4.506
  406    H    GLU  51           H        GLU  51   9.312   2.652  -8.771
  407    HA   GLU  51           HA       GLU  51   8.540   4.713 -10.599
  408   1HB   GLU  51          1HB       GLU  51  10.687   2.545 -10.731
  409   2HB   GLU  51          2HB       GLU  51  10.409   3.700 -12.036
  410   1HG   GLU  51          1HG       GLU  51  12.145   4.672 -10.847
  411   2HG   GLU  51          2HG       GLU  51  10.723   5.592 -10.358
  412    H    GLU  52           H        GLU  52   8.502   1.183 -10.942
  413    HA   GLU  52           HA       GLU  52   7.572   1.080 -13.589
  414   1HB   GLU  52          1HB       GLU  52   8.439  -0.864 -12.244
  415   2HB   GLU  52          2HB       GLU  52   6.877  -0.921 -11.407
  416   1HG   GLU  52          1HG       GLU  52   5.740  -1.284 -13.608
  417   2HG   GLU  52          2HG       GLU  52   7.328  -1.284 -14.398
  418    H    LEU  53           H        LEU  53   5.655   1.319 -10.582
  419    HA   LEU  53           HA       LEU  53   3.109   1.302 -11.940
  420   1HB   LEU  53          1HB       LEU  53   3.884   2.476  -9.236
  421   2HB   LEU  53          2HB       LEU  53   2.255   2.192  -9.847
  422    HG   LEU  53           HG       LEU  53   4.301   0.080  -9.101
  423   1HD1  LEU  53          3HD1      LEU  53   3.102   1.191  -7.237
  424   2HD1  LEU  53          1HD1      LEU  53   1.558   0.680  -7.961
  425   3HD1  LEU  53          2HD1      LEU  53   2.719  -0.531  -7.385
  426   1HD2  LEU  53          3HD2      LEU  53   1.556  -0.323 -10.299
  427   2HD2  LEU  53          1HD2      LEU  53   3.114  -0.733 -11.073
  428   3HD2  LEU  53          2HD2      LEU  53   2.610  -1.598  -9.631
  429    H    ASP  54           H        ASP  54   5.112   3.934 -10.635
  430    HA   ASP  54           HA       ASP  54   3.331   5.944 -11.797
  431   1HB   ASP  54          1HB       ASP  54   4.300   6.230  -9.561
  432   2HB   ASP  54          2HB       ASP  54   5.931   6.190 -10.235
  433    H    LYS  55           H        LYS  55   3.867   4.703 -13.921
  434    HA   LYS  55           HA       LYS  55   6.155   5.278 -15.470
  435   1HB   LYS  55          1HB       LYS  55   3.238   5.102 -16.304
  436   2HB   LYS  55          2HB       LYS  55   4.601   5.162 -17.426
  437   1HG   LYS  55          1HG       LYS  55   4.044   2.962 -15.397
  438   2HG   LYS  55          2HG       LYS  55   3.857   2.915 -17.157
  439   1HD   LYS  55          1HD       LYS  55   6.430   3.530 -17.195
  440   2HD   LYS  55          2HD       LYS  55   6.399   2.924 -15.527
  441   1HE   LYS  55          1HE       LYS  55   5.699   1.420 -18.092
  442   2HE   LYS  55          2HE       LYS  55   7.044   1.111 -16.982
  443   1HZ   LYS  55          3HZ       LYS  55   5.362   0.586 -15.300
  444   2HZ   LYS  55          1HZ       LYS  55   4.188   0.722 -16.437
  445   3HZ   LYS  55          2HZ       LYS  55   5.338  -0.450 -16.593
  446    H    ASN  56           H        ASN  56   3.323   7.237 -14.756
  447    HA   ASN  56           HA       ASN  56   3.907   9.454 -16.503
  448   1HB   ASN  56          1HB       ASN  56   2.208  10.631 -15.101
  449   2HB   ASN  56          2HB       ASN  56   1.619   9.143 -15.816
  450   1HD2  ASN  56          1HD2      ASN  56   0.978   9.545 -11.991
  451   2HD2  ASN  56          2HD2      ASN  56   1.044  10.773 -13.265
  452    H    GLY  57           H        GLY  57   5.395   8.435 -13.553
  453   1HA   GLY  57          1HA       GLY  57   7.002   9.364 -12.279
  454   2HA   GLY  57          2HA       GLY  57   7.350  10.387 -13.678
  455    H    ASP  58           H        ASP  58   4.353  10.387 -11.620
  456    HA   ASP  58           HA       ASP  58   4.606  13.261 -11.341
  457   1HB   ASP  58          1HB       ASP  58   2.520  13.205 -10.333
  458   2HB   ASP  58          2HB       ASP  58   2.446  12.066 -11.666
  459    H    GLY  59           H        GLY  59   5.503  10.460  -9.398
  460   1HA   GLY  59          1HA       GLY  59   7.349  10.971  -7.854
  461   2HA   GLY  59          2HA       GLY  59   6.394  12.296  -7.184
  462    H    GLU  60           H        GLU  60   3.932  10.329  -7.578
  463    HA   GLU  60           HA       GLU  60   4.319   8.313  -5.480
  464   1HB   GLU  60          1HB       GLU  60   2.366  10.631  -5.262
  465   2HB   GLU  60          2HB       GLU  60   2.359   9.189  -4.228
  466   1HG   GLU  60          1HG       GLU  60   4.733   9.796  -3.538
  467   2HG   GLU  60          2HG       GLU  60   4.489  11.353  -4.350
  468    H    VAL  61           H        VAL  61   2.058   7.175  -5.251
  469    HA   VAL  61           HA       VAL  61   1.382   6.560  -8.099
  470    HB   VAL  61           HB       VAL  61   1.210   4.682  -5.752
  471   1HG1  VAL  61          3HG1      VAL  61  -0.038   4.165  -7.907
  472   2HG1  VAL  61          1HG1      VAL  61   1.534   4.196  -8.741
  473   3HG1  VAL  61          2HG1      VAL  61   1.213   2.988  -7.480
  474   1HG2  VAL  61          3HG2      VAL  61   3.533   5.258  -7.644
  475   2HG2  VAL  61          1HG2      VAL  61   3.530   5.334  -5.872
  476   3HG2  VAL  61          2HG2      VAL  61   3.399   3.774  -6.694
  477    H    SER  62           H        SER  62  -0.514   7.572  -8.632
  478    HA   SER  62           HA       SER  62  -2.751   7.661  -6.782
  479   1HB   SER  62          1HB       SER  62  -3.940   8.817  -8.470
  480   2HB   SER  62          2HB       SER  62  -2.308   9.487  -8.394
  481    HG   SER  62           HG       SER  62  -1.830   8.497 -10.323
  482    H    PHE  63           H        PHE  63  -4.964   6.795  -7.521
  483    HA   PHE  63           HA       PHE  63  -4.749   4.026  -7.529
  484   1HB   PHE  63          1HB       PHE  63  -6.701   5.254  -6.669
  485   2HB   PHE  63          2HB       PHE  63  -7.221   5.585  -8.322
  486    HD1  PHE  63           HD1      PHE  63  -6.275   2.738  -6.048
  487    HD2  PHE  63           HD2      PHE  63  -8.675   3.977  -9.404
  488    HE1  PHE  63           HE1      PHE  63  -7.361   0.526  -6.076
  489    HE2  PHE  63           HE2      PHE  63  -9.770   1.753  -9.423
  490    HZ   PHE  63           HZ       PHE  63  -9.128   0.022  -7.734
  491    H    GLU  64           H        GLU  64  -5.300   6.132 -10.374
  492    HA   GLU  64           HA       GLU  64  -5.936   3.982 -12.098
  493   1HB   GLU  64          1HB       GLU  64  -5.624   5.559 -13.930
  494   2HB   GLU  64          2HB       GLU  64  -6.613   6.150 -12.592
  495   1HG   GLU  64          1HG       GLU  64  -5.414   8.015 -13.181
  496   2HG   GLU  64          2HG       GLU  64  -4.562   7.434 -11.755
  497    H    GLU  65           H        GLU  65  -2.771   5.709 -11.781
  498    HA   GLU  65           HA       GLU  65  -1.333   3.844 -13.358
  499   1HB   GLU  65          1HB       GLU  65   0.686   4.802 -12.272
  500   2HB   GLU  65          2HB       GLU  65  -0.418   5.996 -12.943
  501   1HG   GLU  65          1HG       GLU  65  -1.385   6.253 -10.569
  502   2HG   GLU  65          2HG       GLU  65  -0.025   5.280 -10.018
  503    H    PHE  66           H        PHE  66  -2.100   3.791  -9.859
  504    HA   PHE  66           HA       PHE  66  -0.653   1.496  -9.080
  505   1HB   PHE  66          1HB       PHE  66  -1.779   2.780  -7.435
  506   2HB   PHE  66          2HB       PHE  66  -3.273   2.680  -8.335
  507    HD1  PHE  66           HD1      PHE  66  -1.014   0.666  -6.150
  508    HD2  PHE  66           HD2      PHE  66  -4.856   1.057  -8.011
  509    HE1  PHE  66           HE1      PHE  66  -1.942  -1.072  -4.624
  510    HE2  PHE  66           HE2      PHE  66  -5.693  -0.921  -6.788
  511    HZ   PHE  66           HZ       PHE  66  -4.287  -1.838  -4.892
  512    H    GLN  67           H        GLN  67  -3.526   1.670 -11.228
  513    HA   GLN  67           HA       GLN  67  -4.177  -1.083 -11.079
  514   1HB   GLN  67          1HB       GLN  67  -4.356   0.622 -13.585
  515   2HB   GLN  67          2HB       GLN  67  -5.113  -0.940 -13.304
  516   1HG   GLN  67          1HG       GLN  67  -5.821   1.675 -11.973
  517   2HG   GLN  67          2HG       GLN  67  -6.825   0.649 -12.990
  518   1HE2  GLN  67          1HE2      GLN  67  -6.650   0.091  -8.964
  519   2HE2  GLN  67          2HE2      GLN  67  -5.932   1.447  -9.817
  520    H    VAL  68           H        VAL  68  -1.261   0.313 -12.452
  521    HA   VAL  68           HA       VAL  68  -0.545  -1.935 -14.089
  522    HB   VAL  68           HB       VAL  68   1.167   0.039 -12.545
  523   1HG1  VAL  68          1HG1      VAL  68   1.960  -1.938 -14.732
  524   2HG1  VAL  68          2HG1      VAL  68   2.991  -0.641 -14.093
  525   3HG1  VAL  68          3HG1      VAL  68   2.513  -1.979 -13.046
  526   1HG2  VAL  68          1HG2      VAL  68  -0.264   1.059 -14.325
  527   2HG2  VAL  68          2HG2      VAL  68   1.455   1.121 -14.731
  528   3HG2  VAL  68          3HG2      VAL  68   0.404  -0.091 -15.496
  529    H    LEU  69           H        LEU  69  -0.550  -1.427 -10.562
  530    HA   LEU  69           HA       LEU  69   1.009  -3.819 -10.003
  531   1HB   LEU  69          1HB       LEU  69   0.734  -1.825  -8.392
  532   2HB   LEU  69          2HB       LEU  69  -0.933  -2.333  -8.179
  533    HG   LEU  69           HG       LEU  69  -0.057  -4.605  -7.408
  534   1HD1  LEU  69          1HD1      LEU  69   2.576  -3.063  -7.292
  535   2HD1  LEU  69          2HD1      LEU  69   2.266  -4.635  -6.531
  536   3HD1  LEU  69          3HD1      LEU  69   2.254  -4.498  -8.290
  537   1HD2  LEU  69          3HD2      LEU  69   0.660  -2.116  -5.811
  538   2HD2  LEU  69          1HD2      LEU  69  -0.915  -2.943  -5.856
  539   3HD2  LEU  69          2HD2      LEU  69   0.488  -3.757  -5.147
  540    H    VAL  70           H        VAL  70  -2.448  -2.844  -9.969
  541    HA   VAL  70           HA       VAL  70  -3.516  -5.333  -9.192
  542    HB   VAL  70           HB       VAL  70  -4.802  -3.307 -11.085
  543   1HG1  VAL  70          1HG1      VAL  70  -6.018  -5.413  -9.254
  544   2HG1  VAL  70          2HG1      VAL  70  -6.928  -4.153 -10.115
  545   3HG1  VAL  70          3HG1      VAL  70  -6.061  -5.393 -11.028
  546   1HG2  VAL  70          3HG2      VAL  70  -4.698  -3.399  -8.036
  547   2HG2  VAL  70          1HG2      VAL  70  -4.096  -2.109  -9.068
  548   3HG2  VAL  70          2HG2      VAL  70  -5.833  -2.399  -8.961
  549    H    LYS  71           H        LYS  71  -2.609  -4.164 -12.429
  550    HA   LYS  71           HA       LYS  71  -3.371  -6.417 -13.954
  551   1HB   LYS  71          1HB       LYS  71  -2.735  -4.413 -15.031
  552   2HB   LYS  71          2HB       LYS  71  -1.154  -4.369 -14.248
  553   1HG   LYS  71          1HG       LYS  71  -0.428  -6.368 -15.440
  554   2HG   LYS  71          2HG       LYS  71  -1.995  -6.498 -16.252
  555   1HD   LYS  71          1HD       LYS  71   0.058  -4.235 -16.487
  556   2HD   LYS  71          2HD       LYS  71  -0.263  -5.479 -17.698
  557   1HE   LYS  71          1HE       LYS  71  -2.141  -3.226 -16.845
  558   2HE   LYS  71          2HE       LYS  71  -1.311  -3.410 -18.390
  559   1HZ   LYS  71          3HZ       LYS  71  -2.586  -5.397 -18.780
  560   2HZ   LYS  71          1HZ       LYS  71  -3.382  -5.207 -17.348
  561   3HZ   LYS  71          2HZ       LYS  71  -3.569  -4.095 -18.546
  562    H    LYS  72           H        LYS  72  -0.216  -5.732 -12.440
  563    HA   LYS  72           HA       LYS  72   0.929  -8.271 -12.928
  564   1HB   LYS  72          1HB       LYS  72   1.501  -6.090 -10.935
  565   2HB   LYS  72          2HB       LYS  72   2.135  -7.700 -10.599
  566   1HG   LYS  72          1HG       LYS  72   3.838  -6.584 -11.748
  567   2HG   LYS  72          2HG       LYS  72   3.169  -7.779 -12.867
  568   1HD   LYS  72          1HD       LYS  72   1.747  -5.834 -13.836
  569   2HD   LYS  72          2HD       LYS  72   2.747  -4.756 -12.852
  570   1HE   LYS  72          1HE       LYS  72   3.669  -6.633 -15.082
  571   2HE   LYS  72          2HE       LYS  72   3.629  -4.862 -15.125
  572   1HZ   LYS  72          3HZ       LYS  72   5.269  -4.874 -13.352
  573   2HZ   LYS  72          1HZ       LYS  72   5.332  -6.519 -13.398
  574   3HZ   LYS  72          2HZ       LYS  72   5.819  -5.641 -14.703
  575    H    ILE  73           H        ILE  73  -1.084  -7.306 -10.169
  576    HA   ILE  73           HA       ILE  73  -1.004  -9.810  -8.788
  577    HB   ILE  73           HB       ILE  73  -3.276  -7.779  -8.914
  578   1HG1  ILE  73          1HG1      ILE  73  -1.048  -8.218  -6.876
  579   2HG1  ILE  73          2HG1      ILE  73  -1.162  -6.872  -8.011
  580   1HG2  ILE  73          3HG2      ILE  73  -4.079 -10.030  -8.188
  581   2HG2  ILE  73          1HG2      ILE  73  -2.829 -10.047  -6.927
  582   3HG2  ILE  73          2HG2      ILE  73  -4.150  -8.857  -6.891
  583   1HD1  ILE  73          3HD1      ILE  73  -3.289  -6.149  -6.936
  584   2HD1  ILE  73          1HD1      ILE  73  -3.024  -7.389  -5.686
  585   3HD1  ILE  73          2HD1      ILE  73  -1.862  -6.075  -5.884
  586    H    SER  74           H        SER  74  -3.195  -8.589 -11.281
  587    HA   SER  74           HA       SER  74  -4.507 -11.169 -11.743
  588   1HB   SER  74          1HB       SER  74  -4.531  -8.675 -13.489
  589   2HB   SER  74          2HB       SER  74  -5.734  -9.973 -13.425
  590    HG   SER  74           HG       SER  74  -5.111  -8.028 -11.437
  591    H    GLN  75           H        GLN  75  -1.784 -11.613 -11.888
  592    HA   GLN  75           HA       GLN  75   0.023 -12.124 -13.130
  593   1HB   GLN  75          1HB       GLN  75  -1.560 -13.858 -13.990
  594   2HB   GLN  75          2HB       GLN  75  -1.975 -12.787 -15.341
  595   1HG   GLN  75          1HG       GLN  75   0.389 -12.841 -16.111
  596   2HG   GLN  75          2HG       GLN  75   0.828 -13.820 -14.703
  597   1HE2  GLN  75          1HE2      GLN  75  -1.444 -15.596 -17.676
  598   2HE2  GLN  75          2HE2      GLN  75  -1.658 -13.882 -17.356
   
  No H/Q in entry =         598
  Start of MODEL          19
 Raw file had  599 H/Q atoms
  Start of MODEL   19
    1   1H    LYS   1          2H        LYS   1  -7.137 -10.551  -4.335
    2   2H    LYS   1          3H        LYS   1  -7.573 -10.822  -2.733
    3   3H    LYS   1          1H        LYS   1  -8.527 -11.428  -3.978
    4    HA   LYS   1           HA       LYS   1  -9.555  -9.524  -3.013
    5   1HB   LYS   1          1HB       LYS   1  -6.876  -8.265  -3.792
    6   2HB   LYS   1          2HB       LYS   1  -8.328  -7.320  -3.536
    7   1HG   LYS   1          1HG       LYS   1  -7.154  -7.157  -1.547
    8   2HG   LYS   1          2HG       LYS   1  -8.491  -8.256  -1.182
    9   1HD   LYS   1          1HD       LYS   1  -7.016 -10.172  -1.225
   10   2HD   LYS   1          2HD       LYS   1  -5.722  -9.231  -1.978
   11   1HE   LYS   1          1HE       LYS   1  -5.597  -7.798   0.098
   12   2HE   LYS   1          2HE       LYS   1  -6.787  -8.868   0.860
   13   1HZ   LYS   1          3HZ       LYS   1  -5.204 -10.668   0.522
   14   2HZ   LYS   1          1HZ       LYS   1  -4.103  -9.605  -0.098
   15   3HZ   LYS   1          2HZ       LYS   1  -4.588  -9.463   1.462
   16    H    SER   2           H        SER   2 -10.819  -8.138  -4.397
   17    HA   SER   2           HA       SER   2 -10.370  -8.447  -7.315
   18   1HB   SER   2          1HB       SER   2 -12.640  -8.113  -7.590
   19   2HB   SER   2          2HB       SER   2 -12.673  -8.835  -5.985
   20    HG   SER   2           HG       SER   2 -13.898  -6.900  -6.070
   21    HA   PRO   3           HA       PRO   3  -9.175  -4.114  -7.836
   22   1HB   PRO   3          1HB       PRO   3 -11.847  -3.780  -9.204
   23   2HB   PRO   3          2HB       PRO   3 -10.260  -3.097  -9.670
   24   1HG   PRO   3          1HG       PRO   3 -11.140  -5.321 -10.922
   25   2HG   PRO   3          2HG       PRO   3  -9.456  -5.284 -10.320
   26   1HD   PRO   3          1HD       PRO   3 -11.878  -6.536  -9.020
   27   2HD   PRO   3          2HD       PRO   3 -10.241  -7.229  -9.242
   28    H    GLU   4           H        GLU   4 -12.429  -4.917  -6.565
   29    HA   GLU   4           HA       GLU   4 -13.049  -2.284  -5.579
   30   1HB   GLU   4          1HB       GLU   4 -14.088  -5.001  -4.691
   31   2HB   GLU   4          2HB       GLU   4 -14.863  -3.455  -4.384
   32   1HG   GLU   4          1HG       GLU   4 -15.532  -3.185  -6.643
   33   2HG   GLU   4          2HG       GLU   4 -14.392  -4.386  -7.254
   34    H    GLU   5           H        GLU   5 -11.644  -5.230  -4.178
   35    HA   GLU   5           HA       GLU   5 -11.489  -4.076  -1.484
   36   1HB   GLU   5          1HB       GLU   5 -10.172  -6.533  -2.699
   37   2HB   GLU   5          2HB       GLU   5  -9.934  -5.981  -1.035
   38   1HG   GLU   5          1HG       GLU   5 -11.592  -7.643  -0.873
   39   2HG   GLU   5          2HG       GLU   5 -12.472  -6.119  -0.728
   40    H    LEU   6           H        LEU   6  -9.355  -4.552  -4.278
   41    HA   LEU   6           HA       LEU   6  -7.041  -3.371  -3.164
   42   1HB   LEU   6          1HB       LEU   6  -8.056  -3.711  -5.981
   43   2HB   LEU   6          2HB       LEU   6  -6.563  -2.885  -5.662
   44    HG   LEU   6           HG       LEU   6  -7.103  -5.543  -4.290
   45   1HD1  LEU   6          3HD1      LEU   6  -7.512  -6.022  -6.692
   46   2HD1  LEU   6          1HD1      LEU   6  -5.874  -5.437  -7.040
   47   3HD1  LEU   6          2HD1      LEU   6  -6.101  -6.859  -6.011
   48   1HD2  LEU   6          3HD2      LEU   6  -4.563  -4.156  -5.298
   49   2HD2  LEU   6          1HD2      LEU   6  -5.066  -4.310  -3.601
   50   3HD2  LEU   6          2HD2      LEU   6  -4.596  -5.738  -4.536
   51    H    LYS   7           H        LYS   7  -9.804  -1.756  -4.779
   52    HA   LYS   7           HA       LYS   7  -8.749   0.868  -4.493
   53   1HB   LYS   7          1HB       LYS   7 -10.785   0.254  -5.818
   54   2HB   LYS   7          2HB       LYS   7 -11.666  -0.032  -4.334
   55   1HG   LYS   7          1HG       LYS   7 -12.235   2.136  -5.273
   56   2HG   LYS   7          2HG       LYS   7 -11.522   2.301  -3.668
   57   1HD   LYS   7          1HD       LYS   7  -9.369   3.003  -4.654
   58   2HD   LYS   7          2HD       LYS   7 -10.001   2.686  -6.284
   59   1HE   LYS   7          1HE       LYS   7 -11.674   4.462  -6.011
   60   2HE   LYS   7          2HE       LYS   7 -11.117   4.763  -4.354
   61   1HZ   LYS   7          1HZ       LYS   7  -9.490   5.063  -6.780
   62   2HZ   LYS   7          2HZ       LYS   7 -10.169   6.292  -5.912
   63   3HZ   LYS   7          3HZ       LYS   7  -8.988   5.361  -5.239
   64    H    GLY   8           H        GLY   8 -10.791  -1.033  -2.315
   65   1HA   GLY   8          1HA       GLY   8 -11.129   0.859  -0.227
   66   2HA   GLY   8          2HA       GLY   8 -11.073  -0.900   0.008
   67    H    ILE   9           H        ILE   9  -8.631  -1.603  -0.633
   68    HA   ILE   9           HA       ILE   9  -6.837  -0.989   1.481
   69    HB   ILE   9           HB       ILE   9  -6.560  -2.259  -1.252
   70   1HG1  ILE   9          1HG1      ILE   9  -6.609  -3.448   1.562
   71   2HG1  ILE   9          2HG1      ILE   9  -8.024  -3.340   0.512
   72   1HG2  ILE   9          3HG2      ILE   9  -4.353  -1.376  -0.548
   73   2HG2  ILE   9          1HG2      ILE   9  -4.491  -2.315   0.952
   74   3HG2  ILE   9          2HG2      ILE   9  -4.389  -3.128  -0.622
   75   1HD1  ILE   9          3HD1      ILE   9  -6.875  -4.739  -1.188
   76   2HD1  ILE   9          1HD1      ILE   9  -5.512  -4.954  -0.068
   77   3HD1  ILE   9          2HD1      ILE   9  -7.115  -5.559   0.369
   78    H    PHE  10           H        PHE  10  -6.769   0.130  -1.973
   79    HA   PHE  10           HA       PHE  10  -4.526   1.766  -1.800
   80   1HB   PHE  10          1HB       PHE  10  -5.775   1.246  -3.892
   81   2HB   PHE  10          2HB       PHE  10  -7.102   2.229  -3.356
   82    HD1  PHE  10           HD1      PHE  10  -6.955   4.702  -3.205
   83    HD2  PHE  10           HD2      PHE  10  -3.724   2.302  -4.753
   84    HE1  PHE  10           HE1      PHE  10  -5.865   6.723  -4.058
   85    HE2  PHE  10           HE2      PHE  10  -2.624   4.362  -5.619
   86    HZ   PHE  10           HZ       PHE  10  -3.670   6.571  -5.236
   87    H    GLU  11           H        GLU  11  -7.932   2.600  -1.094
   88    HA   GLU  11           HA       GLU  11  -7.442   5.341  -0.405
   89   1HB   GLU  11          1HB       GLU  11  -9.710   3.439   0.313
   90   2HB   GLU  11          2HB       GLU  11  -9.707   5.170   0.686
   91   1HG   GLU  11          1HG       GLU  11  -9.553   5.755  -1.675
   92   2HG   GLU  11          2HG       GLU  11  -9.413   4.058  -2.144
   93    H    LYS  12           H        LYS  12  -7.920   2.434   1.640
   94    HA   LYS  12           HA       LYS  12  -7.572   3.515   4.185
   95   1HB   LYS  12          1HB       LYS  12  -8.253   1.268   3.943
   96   2HB   LYS  12          2HB       LYS  12  -6.853   0.841   2.942
   97   1HG   LYS  12          1HG       LYS  12  -5.364   0.761   4.720
   98   2HG   LYS  12          2HG       LYS  12  -6.435   1.679   5.809
   99   1HD   LYS  12          1HD       LYS  12  -6.308  -0.752   6.338
  100   2HD   LYS  12          2HD       LYS  12  -7.957  -0.191   6.015
  101   1HE   LYS  12          1HE       LYS  12  -7.964  -1.188   3.810
  102   2HE   LYS  12          2HE       LYS  12  -6.224  -1.503   3.883
  103   1HZ   LYS  12          1HZ       LYS  12  -8.251  -2.756   5.589
  104   2HZ   LYS  12          2HZ       LYS  12  -7.497  -3.458   4.304
  105   3HZ   LYS  12          3HZ       LYS  12  -6.629  -3.052   5.642
  106    H    TYR  13           H        TYR  13  -4.988   2.153   2.081
  107    HA   TYR  13           HA       TYR  13  -2.967   2.845   4.042
  108   1HB   TYR  13          1HB       TYR  13  -2.908   1.656   1.273
  109   2HB   TYR  13          2HB       TYR  13  -1.429   2.118   2.119
  110    HD1  TYR  13           HD1      TYR  13  -0.984   1.256   4.427
  111    HD2  TYR  13           HD2      TYR  13  -4.192  -0.337   2.073
  112    HE1  TYR  13           HE1      TYR  13  -1.104  -0.752   5.910
  113    HE2  TYR  13           HE2      TYR  13  -4.168  -2.405   3.360
  114    HH   TYR  13           HH       TYR  13  -2.007  -2.928   6.126
  115    H    ALA  14           H        ALA  14  -4.104   4.353   1.032
  116    HA   ALA  14           HA       ALA  14  -2.123   6.418   0.922
  117   1HB   ALA  14          1HB       ALA  14  -5.053   6.411   0.095
  118   2HB   ALA  14          2HB       ALA  14  -3.877   7.676  -0.301
  119   3HB   ALA  14          3HB       ALA  14  -3.651   6.038  -0.927
  120    H    ALA  15           H        ALA  15  -5.392   6.515   2.279
  121    HA   ALA  15           HA       ALA  15  -5.316   9.002   3.507
  122   1HB   ALA  15          3HB       ALA  15  -7.357   7.648   3.179
  123   2HB   ALA  15          1HB       ALA  15  -6.813   6.517   4.439
  124   3HB   ALA  15          2HB       ALA  15  -7.204   8.197   4.860
  125    H    LYS  16           H        LYS  16  -4.041   5.913   4.744
  126    HA   LYS  16           HA       LYS  16  -3.802   6.498   7.440
  127   1HB   LYS  16          1HB       LYS  16  -3.346   4.343   6.256
  128   2HB   LYS  16          2HB       LYS  16  -1.765   4.979   5.764
  129   1HG   LYS  16          1HG       LYS  16  -1.142   5.232   8.155
  130   2HG   LYS  16          2HG       LYS  16  -2.719   4.619   8.645
  131   1HD   LYS  16          1HD       LYS  16  -0.577   3.124   7.053
  132   2HD   LYS  16          2HD       LYS  16  -0.941   2.896   8.765
  133   1HE   LYS  16          1HE       LYS  16  -2.734   2.178   6.399
  134   2HE   LYS  16          2HE       LYS  16  -1.926   1.079   7.518
  135   1HZ   LYS  16          3HZ       LYS  16  -3.287   1.979   9.277
  136   2HZ   LYS  16          1HZ       LYS  16  -4.064   2.964   8.207
  137   3HZ   LYS  16          2HZ       LYS  16  -4.206   1.328   8.073
  138    H    GLU  17           H        GLU  17  -1.898   7.864   4.800
  139    HA   GLU  17           HA       GLU  17  -0.309   9.459   6.760
  140   1HB   GLU  17          1HB       GLU  17   1.051   7.508   6.410
  141   2HB   GLU  17          2HB       GLU  17   0.793   7.580   4.676
  142   1HG   GLU  17          1HG       GLU  17   2.096   9.769   4.640
  143   2HG   GLU  17          2HG       GLU  17   2.461   9.489   6.348
  144    H    GLY  18           H        GLY  18  -1.260   8.936   3.381
  145   1HA   GLY  18          1HA       GLY  18  -0.475  11.746   2.695
  146   2HA   GLY  18          2HA       GLY  18  -0.525  10.362   1.593
  147    H    ASP  19           H        ASP  19  -1.825  12.179   0.479
  148    HA   ASP  19           HA       ASP  19  -4.523  12.657   1.301
  149   1HB   ASP  19          1HB       ASP  19  -3.331  14.085  -0.325
  150   2HB   ASP  19          2HB       ASP  19  -3.243  12.734  -1.470
  151    HA   PRO  20           HA       PRO  20  -6.107   8.553   0.631
  152   1HB   PRO  20          1HB       PRO  20  -8.691   9.150  -0.334
  153   2HB   PRO  20          2HB       PRO  20  -8.190   8.997   1.376
  154   1HG   PRO  20          1HG       PRO  20  -8.438  11.488  -0.312
  155   2HG   PRO  20          2HG       PRO  20  -8.946  11.254   1.388
  156   1HD   PRO  20          1HD       PRO  20  -6.678  12.531   0.827
  157   2HD   PRO  20          2HD       PRO  20  -6.665  11.323   2.142
  158    H    ASN  21           H        ASN  21  -6.108  10.845  -2.057
  159    HA   ASN  21           HA       ASN  21  -6.891   8.878  -4.087
  160   1HB   ASN  21          1HB       ASN  21  -5.850  11.717  -4.216
  161   2HB   ASN  21          2HB       ASN  21  -6.449  10.795  -5.595
  162   1HD2  ASN  21          1HD2      ASN  21  -9.091  12.627  -3.116
  163   2HD2  ASN  21          2HD2      ASN  21  -7.363  12.660  -2.785
  164    H    GLN  22           H        GLN  22  -4.041   9.276  -2.339
  165    HA   GLN  22           HA       GLN  22  -2.352   8.396  -4.630
  166   1HB   GLN  22          1HB       GLN  22  -2.545  11.015  -4.193
  167   2HB   GLN  22          2HB       GLN  22  -1.613  10.656  -2.760
  168   1HG   GLN  22          1HG       GLN  22   0.031  11.142  -4.402
  169   2HG   GLN  22          2HG       GLN  22  -0.013   9.364  -4.407
  170   1HE2  GLN  22          1HE2      GLN  22  -2.191  10.164  -7.587
  171   2HE2  GLN  22          2HE2      GLN  22  -2.893  10.041  -5.978
  172    H    LEU  23           H        LEU  23  -0.982   6.741  -4.077
  173    HA   LEU  23           HA       LEU  23  -0.375   6.278  -1.231
  174   1HB   LEU  23          1HB       LEU  23   0.240   4.693  -3.722
  175   2HB   LEU  23          2HB       LEU  23   0.757   4.313  -2.103
  176    HG   LEU  23           HG       LEU  23  -2.190   4.579  -2.764
  177   1HD1  LEU  23          1HD1      LEU  23  -0.422   2.095  -2.813
  178   2HD1  LEU  23          2HD1      LEU  23  -2.183   2.095  -2.973
  179   3HD1  LEU  23          3HD1      LEU  23  -1.175   2.846  -4.233
  180   1HD2  LEU  23          1HD2      LEU  23  -1.537   4.611  -0.357
  181   2HD2  LEU  23          2HD2      LEU  23  -2.456   3.160  -0.770
  182   3HD2  LEU  23          3HD2      LEU  23  -0.694   3.066  -0.564
  183    H    SER  24           H        SER  24   1.484   6.999  -0.385
  184    HA   SER  24           HA       SER  24   3.773   7.912  -1.972
  185   1HB   SER  24          1HB       SER  24   4.762   8.448   0.130
  186   2HB   SER  24          2HB       SER  24   3.052   8.830   0.328
  187    HG   SER  24           HG       SER  24   3.696   7.634   2.103
  188    H    LYS  25           H        LYS  25   6.004   6.856  -1.276
  189    HA   LYS  25           HA       LYS  25   6.033   4.093  -1.932
  190   1HB   LYS  25          1HB       LYS  25   8.066   5.826  -0.420
  191   2HB   LYS  25          2HB       LYS  25   8.367   4.154  -0.916
  192   1HG   LYS  25          1HG       LYS  25   8.045   4.759  -3.275
  193   2HG   LYS  25          2HG       LYS  25   7.769   6.453  -2.814
  194   1HD   LYS  25          1HD       LYS  25  10.047   6.557  -1.841
  195   2HD   LYS  25          2HD       LYS  25  10.320   4.858  -2.282
  196   1HE   LYS  25          1HE       LYS  25  10.010   5.421  -4.681
  197   2HE   LYS  25          2HE       LYS  25   9.717   7.115  -4.252
  198   1HZ   LYS  25          3HZ       LYS  25  11.927   7.208  -3.359
  199   2HZ   LYS  25          1HZ       LYS  25  12.207   5.632  -3.760
  200   3HZ   LYS  25          2HZ       LYS  25  11.957   6.752  -4.943
  201    H    GLU  26           H        GLU  26   5.992   5.782   1.228
  202    HA   GLU  26           HA       GLU  26   6.420   3.376   2.751
  203   1HB   GLU  26          1HB       GLU  26   5.071   5.963   3.683
  204   2HB   GLU  26          2HB       GLU  26   5.848   4.731   4.683
  205   1HG   GLU  26          1HG       GLU  26   7.999   5.251   3.403
  206   2HG   GLU  26          2HG       GLU  26   7.181   6.672   2.737
  207    H    GLU  27           H        GLU  27   3.586   5.218   1.767
  208    HA   GLU  27           HA       GLU  27   1.631   3.598   3.091
  209   1HB   GLU  27          1HB       GLU  27   1.492   5.228   0.559
  210   2HB   GLU  27          2HB       GLU  27   0.074   4.548   1.370
  211   1HG   GLU  27          1HG       GLU  27   0.240   5.930   3.235
  212   2HG   GLU  27          2HG       GLU  27   1.968   6.179   3.070
  213    H    LEU  28           H        LEU  28   2.955   3.325  -0.326
  214    HA   LEU  28           HA       LEU  28   1.817   0.781  -0.827
  215   1HB   LEU  28          1HB       LEU  28   4.349   2.167  -1.757
  216   2HB   LEU  28          2HB       LEU  28   4.044   0.490  -2.236
  217    HG   LEU  28           HG       LEU  28   1.899   2.532  -2.474
  218   1HD1  LEU  28          1HD1      LEU  28   4.111   2.070  -4.498
  219   2HD1  LEU  28          2HD1      LEU  28   2.604   2.961  -4.831
  220   3HD1  LEU  28          3HD1      LEU  28   3.735   3.577  -3.610
  221   1HD2  LEU  28          1HD2      LEU  28   1.327   0.109  -2.898
  222   2HD2  LEU  28          2HD2      LEU  28   1.163   1.057  -4.385
  223   3HD2  LEU  28          3HD2      LEU  28   2.594   0.043  -4.134
  224    H    LYS  29           H        LYS  29   4.810   1.500   0.950
  225    HA   LYS  29           HA       LYS  29   5.603  -1.221   1.072
  226   1HB   LYS  29          1HB       LYS  29   6.911   0.874   1.685
  227   2HB   LYS  29          2HB       LYS  29   5.990   0.966   3.161
  228   1HG   LYS  29          1HG       LYS  29   6.908  -1.258   3.879
  229   2HG   LYS  29          2HG       LYS  29   7.750  -1.375   2.335
  230   1HD   LYS  29          1HD       LYS  29   9.439  -0.640   3.711
  231   2HD   LYS  29          2HD       LYS  29   8.888   0.885   3.010
  232   1HE   LYS  29          1HE       LYS  29   8.034  -0.214   5.747
  233   2HE   LYS  29          2HE       LYS  29   9.373   0.914   5.494
  234   1HZ   LYS  29          3HZ       LYS  29   7.794   2.462   4.546
  235   2HZ   LYS  29          1HZ       LYS  29   6.555   1.443   4.928
  236   3HZ   LYS  29          2HZ       LYS  29   7.472   2.099   6.120
  237    H    LEU  30           H        LEU  30   3.784   0.693   3.451
  238    HA   LEU  30           HA       LEU  30   3.194  -1.515   5.171
  239   1HB   LEU  30          1HB       LEU  30   1.961   1.219   4.769
  240   2HB   LEU  30          2HB       LEU  30   1.099   0.015   5.731
  241    HG   LEU  30           HG       LEU  30   2.982  -0.278   7.240
  242   1HD1  LEU  30          1HD1      LEU  30   4.322   1.980   5.692
  243   2HD1  LEU  30          2HD1      LEU  30   4.878   1.304   7.233
  244   3HD1  LEU  30          3HD1      LEU  30   4.888   0.293   5.786
  245   1HD2  LEU  30          1HD2      LEU  30   1.224   1.368   7.741
  246   2HD2  LEU  30          2HD2      LEU  30   2.791   1.914   8.362
  247   3HD2  LEU  30          3HD2      LEU  30   2.133   2.627   6.874
  248    H    LEU  31           H        LEU  31   1.346  -0.223   2.447
  249    HA   LEU  31           HA       LEU  31  -0.856  -1.973   2.488
  250   1HB   LEU  31          1HB       LEU  31  -0.489   0.005   1.025
  251   2HB   LEU  31          2HB       LEU  31   0.643  -0.924   0.049
  252    HG   LEU  31           HG       LEU  31  -2.247  -1.674   0.471
  253   1HD1  LEU  31          1HD1      LEU  31  -0.913  -0.108  -1.793
  254   2HD1  LEU  31          2HD1      LEU  31  -2.601  -0.643  -1.813
  255   3HD1  LEU  31          3HD1      LEU  31  -2.071   0.551  -0.620
  256   1HD2  LEU  31          3HD2      LEU  31  -0.145  -2.615  -1.531
  257   2HD2  LEU  31          1HD2      LEU  31  -1.071  -3.597  -0.368
  258   3HD2  LEU  31          2HD2      LEU  31  -1.884  -2.887  -1.753
  259    H    LEU  32           H        LEU  32   2.230  -2.365   0.802
  260    HA   LEU  32           HA       LEU  32   1.802  -4.980  -0.210
  261   1HB   LEU  32          1HB       LEU  32   4.343  -3.485   0.527
  262   2HB   LEU  32          2HB       LEU  32   4.371  -5.079  -0.223
  263    HG   LEU  32           HG       LEU  32   2.879  -2.783  -1.541
  264   1HD1  LEU  32          3HD1      LEU  32   5.230  -2.053  -1.168
  265   2HD1  LEU  32          1HD1      LEU  32   5.811  -3.560  -1.904
  266   3HD1  LEU  32          2HD1      LEU  32   4.913  -2.376  -2.878
  267   1HD2  LEU  32          3HD2      LEU  32   4.162  -5.341  -2.568
  268   2HD2  LEU  32          1HD2      LEU  32   2.414  -5.051  -2.395
  269   3HD2  LEU  32          2HD2      LEU  32   3.355  -4.118  -3.569
  270    H    GLN  33           H        GLN  33   3.528  -3.994   2.795
  271    HA   GLN  33           HA       GLN  33   4.134  -6.546   3.760
  272   1HB   GLN  33          1HB       GLN  33   3.374  -3.999   5.250
  273   2HB   GLN  33          2HB       GLN  33   3.920  -5.467   6.066
  274   1HG   GLN  33          1HG       GLN  33   6.079  -5.380   4.938
  275   2HG   GLN  33          2HG       GLN  33   5.579  -3.975   3.996
  276   1HE2  GLN  33          1HE2      GLN  33   6.440  -3.524   8.013
  277   2HE2  GLN  33          2HE2      GLN  33   6.042  -5.114   7.386
  278    H    THR  34           H        THR  34   1.173  -4.676   4.376
  279    HA   THR  34           HA       THR  34   0.153  -6.770   6.090
  280    HB   THR  34           HB       THR  34  -1.647  -4.732   4.811
  281    HG1  THR  34           HG1      THR  34   0.214  -3.592   5.569
  282   1HG2  THR  34          3HG2      THR  34  -2.599  -6.460   6.341
  283   2HG2  THR  34          1HG2      THR  34  -1.480  -5.934   7.615
  284   3HG2  THR  34          2HG2      THR  34  -2.751  -4.845   7.039
  285    H    GLU  35           H        GLU  35  -0.659  -5.763   2.699
  286    HA   GLU  35           HA       GLU  35  -2.725  -7.847   2.603
  287   1HB   GLU  35          1HB       GLU  35  -2.028  -5.524   0.766
  288   2HB   GLU  35          2HB       GLU  35  -3.425  -6.597   0.622
  289   1HG   GLU  35          1HG       GLU  35  -2.810  -4.637   2.881
  290   2HG   GLU  35          2HG       GLU  35  -4.039  -4.463   1.643
  291    H    PHE  36           H        PHE  36   0.465  -7.216   1.217
  292    HA   PHE  36           HA       PHE  36   0.200  -9.677  -0.435
  293   1HB   PHE  36          1HB       PHE  36   1.042  -7.010  -1.589
  294   2HB   PHE  36          2HB       PHE  36   0.941  -8.556  -2.418
  295    HD1  PHE  36           HD1      PHE  36  -1.361  -9.669  -2.720
  296    HD2  PHE  36           HD2      PHE  36  -0.834  -5.562  -1.534
  297    HE1  PHE  36           HE1      PHE  36  -3.745  -9.191  -3.264
  298    HE2  PHE  36           HE2      PHE  36  -3.256  -5.140  -1.939
  299    HZ   PHE  36           HZ       PHE  36  -4.733  -7.007  -2.641
  300    HA   PRO  37           HA       PRO  37   4.424  -9.381   1.643
  301   1HB   PRO  37          1HB       PRO  37   3.505 -12.258   1.883
  302   2HB   PRO  37          2HB       PRO  37   4.590 -11.342   2.969
  303   1HG   PRO  37          1HG       PRO  37   1.985 -11.680   3.643
  304   2HG   PRO  37          2HG       PRO  37   2.745 -10.072   3.830
  305   1HD   PRO  37          1HD       PRO  37   0.929 -11.025   1.605
  306   2HD   PRO  37          2HD       PRO  37   0.953  -9.474   2.496
  307    H    SER  38           H        SER  38   2.656 -11.333  -0.739
  308    HA   SER  38           HA       SER  38   4.711 -12.822  -2.000
  309   1HB   SER  38          1HB       SER  38   2.895 -12.553  -3.888
  310   2HB   SER  38          2HB       SER  38   2.448 -13.405  -2.396
  311    HG   SER  38           HG       SER  38   0.898 -11.790  -2.957
  312    H    LEU  39           H        LEU  39   3.104  -9.757  -2.776
  313    HA   LEU  39           HA       LEU  39   4.924  -8.993  -4.879
  314   1HB   LEU  39          1HB       LEU  39   2.940  -7.459  -3.194
  315   2HB   LEU  39          2HB       LEU  39   3.840  -6.724  -4.539
  316    HG   LEU  39           HG       LEU  39   1.898  -9.058  -4.785
  317   1HD1  LEU  39          3HD1      LEU  39   0.820  -6.867  -4.263
  318   2HD1  LEU  39          1HD1      LEU  39   1.701  -6.124  -5.612
  319   3HD1  LEU  39          2HD1      LEU  39   0.478  -7.366  -5.926
  320   1HD2  LEU  39          3HD2      LEU  39   3.459  -7.504  -6.899
  321   2HD2  LEU  39          1HD2      LEU  39   3.551  -9.250  -6.570
  322   3HD2  LEU  39          2HD2      LEU  39   2.079  -8.564  -7.253
  323    H    LEU  40           H        LEU  40   4.748  -8.238  -1.417
  324    HA   LEU  40           HA       LEU  40   6.765  -6.286  -1.315
  325   1HB   LEU  40          1HB       LEU  40   5.318  -7.093   0.643
  326   2HB   LEU  40          2HB       LEU  40   6.403  -8.481   0.748
  327    HG   LEU  40           HG       LEU  40   8.333  -6.751   0.975
  328   1HD1  LEU  40          3HD1      LEU  40   7.015  -4.728   0.346
  329   2HD1  LEU  40          1HD1      LEU  40   5.962  -4.995   1.752
  330   3HD1  LEU  40          2HD1      LEU  40   7.677  -4.604   1.981
  331   1HD2  LEU  40          3HD2      LEU  40   6.264  -7.139   3.162
  332   2HD2  LEU  40          1HD2      LEU  40   7.619  -8.217   2.779
  333   3HD2  LEU  40          2HD2      LEU  40   7.936  -6.592   3.410
  334    H    LYS  41           H        LYS  41   7.109  -9.822  -1.116
  335    HA   LYS  41           HA       LYS  41   9.995  -9.838  -1.151
  336   1HB   LYS  41          1HB       LYS  41   7.879 -11.930  -1.799
  337   2HB   LYS  41          2HB       LYS  41   9.620 -12.245  -1.761
  338   1HG   LYS  41          1HG       LYS  41   9.760 -11.696   0.596
  339   2HG   LYS  41          2HG       LYS  41   8.109 -11.071   0.613
  340   1HD   LYS  41          1HD       LYS  41   8.140 -13.254   1.644
  341   2HD   LYS  41          2HD       LYS  41   7.194 -13.301   0.147
  342   1HE   LYS  41          1HE       LYS  41   9.075 -14.372  -1.044
  343   2HE   LYS  41          2HE       LYS  41  10.108 -14.207   0.391
  344   1HZ   LYS  41          1HZ       LYS  41   7.653 -15.808   0.215
  345   2HZ   LYS  41          2HZ       LYS  41   9.195 -16.389   0.187
  346   3HZ   LYS  41          3HZ       LYS  41   8.614 -15.663   1.547
  347    H    GLY  42           H        GLY  42   7.531 -10.430  -3.634
  348   1HA   GLY  42          1HA       GLY  42   9.420 -10.697  -5.822
  349   2HA   GLY  42          2HA       GLY  42   7.653 -10.643  -5.916
  350    H    GLY  43           H        GLY  43  10.207  -8.355  -4.837
  351   1HA   GLY  43          1HA       GLY  43   9.631  -6.446  -7.002
  352   2HA   GLY  43          2HA       GLY  43   9.137  -5.936  -5.373
  353    H    SER  44           H        SER  44  11.819  -6.366  -7.550
  354    HA   SER  44           HA       SER  44  14.012  -6.880  -6.138
  355   1HB   SER  44          1HB       SER  44  13.871  -4.578  -8.126
  356   2HB   SER  44          2HB       SER  44  15.214  -5.708  -7.854
  357    HG   SER  44           HG       SER  44  13.848  -7.370  -8.648
  358    H    THR  45           H        THR  45  12.482  -3.638  -6.247
  359    HA   THR  45           HA       THR  45  13.297  -3.166  -3.540
  360    HB   THR  45           HB       THR  45  14.133  -0.873  -3.918
  361    HG1  THR  45           HG1      THR  45  14.312  -1.616  -6.635
  362   1HG2  THR  45          3HG2      THR  45  15.813  -2.698  -3.670
  363   2HG2  THR  45          1HG2      THR  45  15.897  -2.839  -5.440
  364   3HG2  THR  45          2HG2      THR  45  16.389  -1.334  -4.647
  365    H    LEU  46           H        LEU  46  11.887  -1.519  -2.648
  366    HA   LEU  46           HA       LEU  46   9.237  -1.415  -3.699
  367   1HB   LEU  46          1HB       LEU  46  10.609   0.629  -1.906
  368   2HB   LEU  46          2HB       LEU  46   8.876   0.234  -1.943
  369    HG   LEU  46           HG       LEU  46  11.218  -1.393  -0.911
  370   1HD1  LEU  46          3HD1      LEU  46  10.519   0.446   0.541
  371   2HD1  LEU  46          1HD1      LEU  46   8.842  -0.137   0.508
  372   3HD1  LEU  46          2HD1      LEU  46  10.114  -1.114   1.281
  373   1HD2  LEU  46          3HD2      LEU  46   8.242  -2.152  -0.984
  374   2HD2  LEU  46          1HD2      LEU  46   9.542  -2.978  -1.871
  375   3HD2  LEU  46          2HD2      LEU  46   9.493  -3.056  -0.106
  376    H    ASP  47           H        ASP  47  12.030   0.713  -3.750
  377    HA   ASP  47           HA       ASP  47  11.045   2.901  -5.153
  378   1HB   ASP  47          1HB       ASP  47  13.810   1.621  -5.293
  379   2HB   ASP  47          2HB       ASP  47  13.416   3.275  -5.782
  380    H    GLU  48           H        GLU  48  12.696   0.081  -6.610
  381    HA   GLU  48           HA       GLU  48  12.181   0.841  -9.299
  382   1HB   GLU  48          1HB       GLU  48  12.597  -1.888  -8.030
  383   2HB   GLU  48          2HB       GLU  48  12.354  -1.688  -9.766
  384   1HG   GLU  48          1HG       GLU  48  14.564  -0.196  -8.282
  385   2HG   GLU  48          2HG       GLU  48  14.789  -1.773  -9.059
  386    H    LEU  49           H        LEU  49  10.189  -1.115  -7.089
  387    HA   LEU  49           HA       LEU  49   8.150  -1.699  -8.972
  388   1HB   LEU  49          1HB       LEU  49   8.589  -2.450  -6.442
  389   2HB   LEU  49          2HB       LEU  49   7.413  -1.185  -6.091
  390    HG   LEU  49           HG       LEU  49   7.054  -3.628  -7.894
  391   1HD1  LEU  49          3HD1      LEU  49   7.099  -4.108  -5.466
  392   2HD1  LEU  49          1HD1      LEU  49   5.812  -2.911  -5.205
  393   3HD1  LEU  49          2HD1      LEU  49   5.488  -4.378  -6.151
  394   1HD2  LEU  49          3HD2      LEU  49   5.083  -1.402  -7.220
  395   2HD2  LEU  49          1HD2      LEU  49   5.665  -1.879  -8.835
  396   3HD2  LEU  49          2HD2      LEU  49   4.626  -2.968  -7.924
  397    H    PHE  50           H        PHE  50   8.510   1.017  -6.733
  398    HA   PHE  50           HA       PHE  50   6.118   2.412  -7.257
  399   1HB   PHE  50          1HB       PHE  50   7.721   2.770  -5.373
  400   2HB   PHE  50          2HB       PHE  50   8.865   3.491  -6.486
  401    HD1  PHE  50           HD2      PHE  50   5.658   3.909  -4.752
  402    HD2  PHE  50           HD1      PHE  50   8.572   5.801  -7.296
  403    HE1  PHE  50           HE2      PHE  50   4.949   6.113  -3.904
  404    HE2  PHE  50           HE1      PHE  50   7.899   8.015  -6.406
  405    HZ   PHE  50           HZ       PHE  50   6.225   8.152  -4.575
  406    H    GLU  51           H        GLU  51   9.382   2.802  -8.729
  407    HA   GLU  51           HA       GLU  51   8.594   4.769 -10.633
  408   1HB   GLU  51          1HB       GLU  51  10.788   2.662 -10.724
  409   2HB   GLU  51          2HB       GLU  51  10.629   3.982 -11.894
  410   1HG   GLU  51          1HG       GLU  51  11.113   4.337  -8.899
  411   2HG   GLU  51          2HG       GLU  51  12.291   4.578 -10.191
  412    H    GLU  52           H        GLU  52   8.645   1.232 -10.825
  413    HA   GLU  52           HA       GLU  52   7.844   0.994 -13.508
  414   1HB   GLU  52          1HB       GLU  52   8.596  -0.847 -11.965
  415   2HB   GLU  52          2HB       GLU  52   6.964  -0.902 -11.290
  416   1HG   GLU  52          1HG       GLU  52   7.608  -1.278 -14.252
  417   2HG   GLU  52          2HG       GLU  52   7.523  -2.603 -13.089
  418    H    LEU  53           H        LEU  53   5.796   1.437 -10.618
  419    HA   LEU  53           HA       LEU  53   3.326   1.498 -12.127
  420   1HB   LEU  53          1HB       LEU  53   3.980   2.586  -9.363
  421   2HB   LEU  53          2HB       LEU  53   2.375   2.357 -10.054
  422    HG   LEU  53           HG       LEU  53   4.369   0.144  -9.437
  423   1HD1  LEU  53          3HD1      LEU  53   3.384   1.206  -7.435
  424   2HD1  LEU  53          1HD1      LEU  53   1.758   0.896  -8.083
  425   3HD1  LEU  53          2HD1      LEU  53   2.815  -0.458  -7.646
  426   1HD2  LEU  53          1HD2      LEU  53   2.943  -0.491 -11.359
  427   2HD2  LEU  53          2HD2      LEU  53   2.602  -1.435  -9.924
  428   3HD2  LEU  53          3HD2      LEU  53   1.499  -0.113 -10.380
  429    H    ASP  54           H        ASP  54   5.147   4.123 -10.564
  430    HA   ASP  54           HA       ASP  54   3.814   6.127 -12.340
  431   1HB   ASP  54          1HB       ASP  54   3.576   6.645  -9.993
  432   2HB   ASP  54          2HB       ASP  54   5.295   6.356  -9.697
  433    H    LYS  55           H        LYS  55   5.008   6.127 -14.212
  434    HA   LYS  55           HA       LYS  55   7.872   5.883 -14.318
  435   1HB   LYS  55          1HB       LYS  55   5.990   7.042 -16.321
  436   2HB   LYS  55          2HB       LYS  55   7.700   6.604 -16.537
  437   1HG   LYS  55          1HG       LYS  55   5.436   4.648 -15.864
  438   2HG   LYS  55          2HG       LYS  55   6.146   4.919 -17.464
  439   1HD   LYS  55          1HD       LYS  55   8.405   4.245 -16.460
  440   2HD   LYS  55          2HD       LYS  55   7.498   3.690 -15.044
  441   1HE   LYS  55          1HE       LYS  55   7.179   2.690 -17.908
  442   2HE   LYS  55          2HE       LYS  55   7.923   1.822 -16.555
  443   1HZ   LYS  55          3HZ       LYS  55   5.793   1.846 -15.450
  444   2HZ   LYS  55          1HZ       LYS  55   5.105   2.624 -16.727
  445   3HZ   LYS  55          2HZ       LYS  55   5.698   1.099 -16.914
  446    H    ASN  56           H        ASN  56   8.122   7.402 -12.649
  447    HA   ASN  56           HA       ASN  56   8.565   9.340 -11.556
  448   1HB   ASN  56          1HB       ASN  56  10.558  10.234 -12.109
  449   2HB   ASN  56          2HB       ASN  56  10.625   8.694 -12.959
  450   1HD2  ASN  56          1HD2      ASN  56  10.041  10.789 -16.124
  451   2HD2  ASN  56          2HD2      ASN  56   8.959   9.715 -15.253
  452    H    GLY  57           H        GLY  57   6.069   9.640 -12.764
  453   1HA   GLY  57          1HA       GLY  57   5.983  12.174 -14.218
  454   2HA   GLY  57          2HA       GLY  57   4.619  11.159 -13.742
  455    H    ASP  58           H        ASP  58   3.893  11.241 -11.472
  456    HA   ASP  58           HA       ASP  58   3.983  13.982 -10.415
  457   1HB   ASP  58          1HB       ASP  58   2.052  13.162  -9.090
  458   2HB   ASP  58          2HB       ASP  58   1.804  13.170 -10.837
  459    H    GLY  59           H        GLY  59   5.320  10.823  -9.717
  460   1HA   GLY  59          1HA       GLY  59   7.049  10.437  -8.254
  461   2HA   GLY  59          2HA       GLY  59   6.812  12.014  -7.498
  462    H    GLU  60           H        GLU  60   3.993   9.986  -7.874
  463    HA   GLU  60           HA       GLU  60   4.166   8.414  -5.492
  464   1HB   GLU  60          1HB       GLU  60   2.188  10.733  -5.527
  465   2HB   GLU  60          2HB       GLU  60   2.155   9.325  -4.440
  466   1HG   GLU  60          1HG       GLU  60   4.467  10.015  -3.642
  467   2HG   GLU  60          2HG       GLU  60   4.178  11.563  -4.462
  468    H    VAL  61           H        VAL  61   1.917   7.252  -5.327
  469    HA   VAL  61           HA       VAL  61   1.280   6.556  -8.178
  470    HB   VAL  61           HB       VAL  61   1.266   4.816  -5.720
  471   1HG1  VAL  61          3HG1      VAL  61  -0.337   4.177  -7.597
  472   2HG1  VAL  61          1HG1      VAL  61   1.078   4.027  -8.656
  473   3HG1  VAL  61          2HG1      VAL  61   0.917   2.982  -7.232
  474   1HG2  VAL  61          3HG2      VAL  61   3.239   5.115  -8.036
  475   2HG2  VAL  61          1HG2      VAL  61   3.562   5.419  -6.320
  476   3HG2  VAL  61          2HG2      VAL  61   3.262   3.771  -6.888
  477    H    SER  62           H        SER  62  -0.505   7.622  -8.718
  478    HA   SER  62           HA       SER  62  -2.909   7.794  -7.138
  479   1HB   SER  62          1HB       SER  62  -2.813   7.934 -10.177
  480   2HB   SER  62          2HB       SER  62  -3.857   8.801  -9.048
  481    HG   SER  62           HG       SER  62  -1.091   9.255  -9.586
  482    H    PHE  63           H        PHE  63  -4.986   6.718  -7.694
  483    HA   PHE  63           HA       PHE  63  -4.773   3.986  -7.547
  484   1HB   PHE  63          1HB       PHE  63  -6.767   5.226  -6.908
  485   2HB   PHE  63          2HB       PHE  63  -7.169   5.490  -8.607
  486    HD1  PHE  63           HD1      PHE  63  -6.306   2.679  -6.231
  487    HD2  PHE  63           HD2      PHE  63  -8.649   3.903  -9.642
  488    HE1  PHE  63           HE1      PHE  63  -7.441   0.482  -6.245
  489    HE2  PHE  63           HE2      PHE  63  -9.799   1.709  -9.622
  490    HZ   PHE  63           HZ       PHE  63  -9.228   0.012  -7.875
  491    H    GLU  64           H        GLU  64  -5.477   5.854 -10.527
  492    HA   GLU  64           HA       GLU  64  -5.830   3.633 -12.207
  493   1HB   GLU  64          1HB       GLU  64  -5.516   5.238 -14.041
  494   2HB   GLU  64          2HB       GLU  64  -6.668   5.777 -12.812
  495   1HG   GLU  64          1HG       GLU  64  -3.816   6.724 -12.548
  496   2HG   GLU  64          2HG       GLU  64  -4.802   7.388 -13.849
  497    H    GLU  65           H        GLU  65  -2.813   4.919 -10.996
  498    HA   GLU  65           HA       GLU  65  -1.282   3.400 -13.067
  499   1HB   GLU  65          1HB       GLU  65   0.732   4.435 -11.975
  500   2HB   GLU  65          2HB       GLU  65  -0.319   5.453 -12.958
  501   1HG   GLU  65          1HG       GLU  65  -1.408   6.323 -10.895
  502   2HG   GLU  65          2HG       GLU  65  -0.230   5.411  -9.927
  503    H    PHE  66           H        PHE  66  -2.000   3.540  -9.563
  504    HA   PHE  66           HA       PHE  66  -0.662   1.191  -8.717
  505   1HB   PHE  66          1HB       PHE  66  -1.700   2.513  -7.093
  506   2HB   PHE  66          2HB       PHE  66  -3.198   2.596  -7.962
  507    HD1  PHE  66           HD1      PHE  66  -4.846   0.844  -7.950
  508    HD2  PHE  66           HD2      PHE  66  -1.168   0.447  -5.762
  509    HE1  PHE  66           HE1      PHE  66  -5.829  -1.024  -6.652
  510    HE2  PHE  66           HE2      PHE  66  -2.240  -1.239  -4.268
  511    HZ   PHE  66           HZ       PHE  66  -4.608  -1.888  -4.633
  512    H    GLN  67           H        GLN  67  -3.691   1.545 -10.651
  513    HA   GLN  67           HA       GLN  67  -4.405  -1.153 -10.647
  514   1HB   GLN  67          1HB       GLN  67  -4.697   0.919 -12.835
  515   2HB   GLN  67          2HB       GLN  67  -5.342  -0.713 -12.985
  516   1HG   GLN  67          1HG       GLN  67  -6.127   1.218 -10.763
  517   2HG   GLN  67          2HG       GLN  67  -7.050   0.887 -12.226
  518   1HE2  GLN  67          1HE2      GLN  67  -7.360  -1.657  -9.100
  519   2HE2  GLN  67          2HE2      GLN  67  -6.439  -0.168  -8.973
  520    H    VAL  68           H        VAL  68  -1.507   0.133 -12.171
  521    HA   VAL  68           HA       VAL  68  -1.078  -2.119 -13.924
  522    HB   VAL  68           HB       VAL  68   0.891  -0.218 -12.607
  523   1HG1  VAL  68          1HG1      VAL  68   1.302  -2.229 -14.857
  524   2HG1  VAL  68          2HG1      VAL  68   2.452  -0.960 -14.393
  525   3HG1  VAL  68          3HG1      VAL  68   2.079  -2.259 -13.258
  526   1HG2  VAL  68          1HG2      VAL  68  -0.707   0.898 -14.156
  527   2HG2  VAL  68          2HG2      VAL  68   0.928   0.861 -14.821
  528   3HG2  VAL  68          3HG2      VAL  68  -0.295  -0.280 -15.416
  529    H    LEU  69           H        LEU  69  -0.635  -1.575 -10.432
  530    HA   LEU  69           HA       LEU  69   0.917  -4.004  -9.993
  531   1HB   LEU  69          1HB       LEU  69   1.032  -2.068  -8.494
  532   2HB   LEU  69          2HB       LEU  69  -0.665  -2.212  -8.079
  533    HG   LEU  69           HG       LEU  69   1.064  -4.614  -7.583
  534   1HD1  LEU  69          1HD1      LEU  69   1.077  -2.081  -5.880
  535   2HD1  LEU  69          2HD1      LEU  69   1.740  -3.651  -5.386
  536   3HD1  LEU  69          3HD1      LEU  69   2.463  -2.781  -6.745
  537   1HD2  LEU  69          3HD2      LEU  69  -1.191  -3.224  -6.038
  538   2HD2  LEU  69          1HD2      LEU  69  -1.380  -4.666  -7.049
  539   3HD2  LEU  69          2HD2      LEU  69  -0.410  -4.740  -5.571
  540    H    VAL  70           H        VAL  70  -2.522  -2.962  -9.774
  541    HA   VAL  70           HA       VAL  70  -3.531  -5.507  -8.977
  542    HB   VAL  70           HB       VAL  70  -4.917  -3.353 -10.633
  543   1HG1  VAL  70          1HG1      VAL  70  -6.003  -5.805  -9.214
  544   2HG1  VAL  70          2HG1      VAL  70  -7.001  -4.406  -9.678
  545   3HG1  VAL  70          3HG1      VAL  70  -6.170  -5.354 -10.913
  546   1HG2  VAL  70          3HG2      VAL  70  -4.490  -3.822  -7.663
  547   2HG2  VAL  70          1HG2      VAL  70  -4.272  -2.342  -8.592
  548   3HG2  VAL  70          2HG2      VAL  70  -5.906  -2.936  -8.240
  549    H    LYS  71           H        LYS  71  -2.849  -4.220 -12.267
  550    HA   LYS  71           HA       LYS  71  -3.721  -6.474 -13.709
  551   1HB   LYS  71          1HB       LYS  71  -3.140  -4.539 -14.933
  552   2HB   LYS  71          2HB       LYS  71  -1.540  -4.446 -14.213
  553   1HG   LYS  71          1HG       LYS  71  -1.342  -5.178 -16.481
  554   2HG   LYS  71          2HG       LYS  71  -0.799  -6.446 -15.376
  555   1HD   LYS  71          1HD       LYS  71  -3.004  -7.621 -15.681
  556   2HD   LYS  71          2HD       LYS  71  -3.549  -6.302 -16.735
  557   1HE   LYS  71          1HE       LYS  71  -1.715  -6.834 -18.331
  558   2HE   LYS  71          2HE       LYS  71  -1.153  -8.129 -17.256
  559   1HZ   LYS  71          3HZ       LYS  71  -3.255  -9.212 -17.563
  560   2HZ   LYS  71          1HZ       LYS  71  -3.781  -8.010 -18.561
  561   3HZ   LYS  71          2HZ       LYS  71  -2.515  -8.963 -19.014
  562    H    LYS  72           H        LYS  72  -0.478  -5.858 -12.363
  563    HA   LYS  72           HA       LYS  72   0.598  -8.428 -12.831
  564   1HB   LYS  72          1HB       LYS  72   1.204  -6.377 -10.691
  565   2HB   LYS  72          2HB       LYS  72   1.871  -8.001 -10.583
  566   1HG   LYS  72          1HG       LYS  72   3.524  -6.743 -11.610
  567   2HG   LYS  72          2HG       LYS  72   2.834  -7.753 -12.885
  568   1HD   LYS  72          1HD       LYS  72   1.469  -5.771 -13.640
  569   2HD   LYS  72          2HD       LYS  72   2.244  -4.797 -12.374
  570   1HE   LYS  72          1HE       LYS  72   3.724  -6.183 -14.656
  571   2HE   LYS  72          2HE       LYS  72   3.240  -4.479 -14.642
  572   1HZ   LYS  72          1HZ       LYS  72   5.056  -5.716 -12.701
  573   2HZ   LYS  72          2HZ       LYS  72   5.493  -4.755 -13.965
  574   3HZ   LYS  72          3HZ       LYS  72   4.597  -4.130 -12.734
  575    H    ILE  73           H        ILE  73  -1.373  -7.450 -10.026
  576    HA   ILE  73           HA       ILE  73  -1.388 -10.044  -8.786
  577    HB   ILE  73           HB       ILE  73  -3.526  -7.876  -8.676
  578   1HG1  ILE  73          1HG1      ILE  73  -1.291  -8.638  -6.745
  579   2HG1  ILE  73          2HG1      ILE  73  -1.302  -7.206  -7.787
  580   1HG2  ILE  73          3HG2      ILE  73  -4.469 -10.103  -8.055
  581   2HG2  ILE  73          1HG2      ILE  73  -3.173 -10.299  -6.864
  582   3HG2  ILE  73          2HG2      ILE  73  -4.404  -9.026  -6.698
  583   1HD1  ILE  73          3HD1      ILE  73  -3.325  -6.365  -6.621
  584   2HD1  ILE  73          1HD1      ILE  73  -3.209  -7.727  -5.482
  585   3HD1  ILE  73          2HD1      ILE  73  -1.917  -6.545  -5.554
  586    H    SER  74           H        SER  74  -3.306  -8.677 -11.391
  587    HA   SER  74           HA       SER  74  -4.751  -9.375 -12.849
  588   1HB   SER  74          1HB       SER  74  -4.848 -11.567 -13.675
  589   2HB   SER  74          2HB       SER  74  -3.171 -11.233 -13.192
  590    HG   SER  74           HG       SER  74  -3.582 -12.435 -11.284
  591    H    GLN  75           H        GLN  75  -5.095 -11.294  -9.907
  592    HA   GLN  75           HA       GLN  75  -8.000 -11.363 -10.011
  593   1HB   GLN  75          1HB       GLN  75  -6.220 -11.792  -7.577
  594   2HB   GLN  75          2HB       GLN  75  -7.862 -12.392  -7.849
  595   1HG   GLN  75          1HG       GLN  75  -5.296 -13.294  -9.245
  596   2HG   GLN  75          2HG       GLN  75  -6.322 -14.216  -8.154
  597   1HE2  GLN  75          1HE2      GLN  75  -7.200 -14.181 -12.110
  598   2HE2  GLN  75          2HE2      GLN  75  -5.761 -13.381 -11.498
   
  No H/Q in entry =         598
  Start of MODEL          20
 Raw file had  599 H/Q atoms
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  -7.573 -10.919  -4.876
    2   2H    LYS   1          2H        LYS   1  -6.409  -9.718  -4.699
    3   3H    LYS   1          3H        LYS   1  -6.885 -10.630  -3.368
    4    HA   LYS   1           HA       LYS   1  -9.063  -9.698  -3.409
    5   1HB   LYS   1          1HB       LYS   1  -6.936  -7.567  -3.528
    6   2HB   LYS   1          2HB       LYS   1  -8.542  -7.494  -2.766
    7   1HG   LYS   1          1HG       LYS   1  -7.709  -9.686  -1.495
    8   2HG   LYS   1          2HG       LYS   1  -6.107  -9.127  -1.991
    9   1HD   LYS   1          1HD       LYS   1  -6.766  -6.856  -0.937
   10   2HD   LYS   1          2HD       LYS   1  -8.230  -7.682  -0.369
   11   1HE   LYS   1          1HE       LYS   1  -6.501  -7.588   1.422
   12   2HE   LYS   1          2HE       LYS   1  -6.825  -9.266   0.952
   13   1HZ   LYS   1          1HZ       LYS   1  -4.577  -7.641  -0.027
   14   2HZ   LYS   1          2HZ       LYS   1  -4.462  -8.778   1.153
   15   3HZ   LYS   1          3HZ       LYS   1  -4.851  -9.221  -0.379
   16    H    SER   2           H        SER   2 -10.685  -8.647  -4.649
   17    HA   SER   2           HA       SER   2 -10.141  -8.259  -7.449
   18   1HB   SER   2          1HB       SER   2 -12.793  -7.652  -7.079
   19   2HB   SER   2          2HB       SER   2 -12.127  -9.289  -7.217
   20    HG   SER   2           HG       SER   2 -12.910  -7.936  -4.888
   21    HA   PRO   3           HA       PRO   3  -9.424  -4.055  -7.976
   22   1HB   PRO   3          1HB       PRO   3 -12.150  -3.773  -9.278
   23   2HB   PRO   3          2HB       PRO   3 -10.597  -3.029  -9.773
   24   1HG   PRO   3          1HG       PRO   3 -11.403  -5.309 -10.980
   25   2HG   PRO   3          2HG       PRO   3  -9.710  -5.173 -10.417
   26   1HD   PRO   3          1HD       PRO   3 -12.006  -6.622  -9.102
   27   2HD   PRO   3          2HD       PRO   3 -10.297  -7.113  -9.293
   28    H    GLU   4           H        GLU   4 -12.888  -4.337  -6.955
   29    HA   GLU   4           HA       GLU   4 -13.039  -1.769  -5.757
   30   1HB   GLU   4          1HB       GLU   4 -14.569  -4.329  -5.104
   31   2HB   GLU   4          2HB       GLU   4 -15.002  -2.703  -4.557
   32   1HG   GLU   4          1HG       GLU   4 -15.273  -1.955  -6.899
   33   2HG   GLU   4          2HG       GLU   4 -14.837  -3.566  -7.489
   34    H    GLU   5           H        GLU   5 -11.888  -4.869  -4.497
   35    HA   GLU   5           HA       GLU   5 -11.794  -3.972  -1.715
   36   1HB   GLU   5          1HB       GLU   5 -10.772  -6.452  -3.172
   37   2HB   GLU   5          2HB       GLU   5 -10.419  -6.112  -1.478
   38   1HG   GLU   5          1HG       GLU   5 -12.370  -7.617  -1.734
   39   2HG   GLU   5          2HG       GLU   5 -12.752  -6.124  -0.870
   40    H    LEU   6           H        LEU   6  -9.603  -4.377  -4.472
   41    HA   LEU   6           HA       LEU   6  -7.256  -3.414  -3.190
   42   1HB   LEU   6          1HB       LEU   6  -8.151  -3.460  -6.094
   43   2HB   LEU   6          2HB       LEU   6  -6.651  -2.760  -5.592
   44    HG   LEU   6           HG       LEU   6  -7.381  -5.517  -4.559
   45   1HD1  LEU   6          1HD1      LEU   6  -6.125  -5.011  -7.257
   46   2HD1  LEU   6          2HD1      LEU   6  -6.168  -6.576  -6.416
   47   3HD1  LEU   6          3HD1      LEU   6  -7.683  -5.803  -6.951
   48   1HD2  LEU   6          3HD2      LEU   6  -4.737  -4.164  -5.341
   49   2HD2  LEU   6          1HD2      LEU   6  -5.312  -4.378  -3.676
   50   3HD2  LEU   6          2HD2      LEU   6  -4.881  -5.784  -4.670
   51    H    LYS   7           H        LYS   7  -9.936  -1.616  -4.790
   52    HA   LYS   7           HA       LYS   7  -8.764   0.931  -4.439
   53   1HB   LYS   7          1HB       LYS   7 -10.876   0.099  -5.771
   54   2HB   LYS   7          2HB       LYS   7 -11.725   0.398  -4.275
   55   1HG   LYS   7          1HG       LYS   7 -10.292   2.296  -6.167
   56   2HG   LYS   7          2HG       LYS   7 -11.986   2.317  -5.704
   57   1HD   LYS   7          1HD       LYS   7 -11.334   3.182  -3.462
   58   2HD   LYS   7          2HD       LYS   7  -9.617   3.109  -3.945
   59   1HE   LYS   7          1HE       LYS   7 -10.022   4.645  -5.817
   60   2HE   LYS   7          2HE       LYS   7 -11.727   4.798  -5.339
   61   1HZ   LYS   7          1HZ       LYS   7  -9.406   5.562  -3.706
   62   2HZ   LYS   7          2HZ       LYS   7 -10.377   6.593  -4.546
   63   3HZ   LYS   7          3HZ       LYS   7 -10.990   5.741  -3.277
   64    H    GLY   8           H        GLY   8 -10.952  -0.948  -2.338
   65   1HA   GLY   8          1HA       GLY   8 -11.210   0.886  -0.193
   66   2HA   GLY   8          2HA       GLY   8 -11.264  -0.879  -0.032
   67    H    ILE   9           H        ILE   9  -8.837  -1.727  -0.624
   68    HA   ILE   9           HA       ILE   9  -7.109  -1.286   1.597
   69    HB   ILE   9           HB       ILE   9  -6.723  -2.443  -1.165
   70   1HG1  ILE   9          1HG1      ILE   9  -8.339  -3.390   0.702
   71   2HG1  ILE   9          2HG1      ILE   9  -7.332  -4.470  -0.270
   72   1HG2  ILE   9          1HG2      ILE   9  -4.795  -2.342   1.153
   73   2HG2  ILE   9          2HG2      ILE   9  -4.701  -3.569  -0.137
   74   3HG2  ILE   9          3HG2      ILE   9  -4.544  -1.856  -0.533
   75   1HD1  ILE   9          1HD1      ILE   9  -6.571  -3.469   2.508
   76   2HD1  ILE   9          2HD1      ILE   9  -7.432  -4.986   2.184
   77   3HD1  ILE   9          3HD1      ILE   9  -5.799  -4.767   1.551
   78    H    PHE  10           H        PHE  10  -6.958  -0.034  -1.786
   79    HA   PHE  10           HA       PHE  10  -4.619   1.473  -1.521
   80   1HB   PHE  10          1HB       PHE  10  -5.829   0.970  -3.642
   81   2HB   PHE  10          2HB       PHE  10  -7.091   2.087  -3.182
   82    HD1  PHE  10           HD1      PHE  10  -6.503   4.553  -2.797
   83    HD2  PHE  10           HD2      PHE  10  -3.836   1.738  -4.702
   84    HE1  PHE  10           HE1      PHE  10  -4.975   6.341  -3.396
   85    HE2  PHE  10           HE2      PHE  10  -2.551   3.640  -5.664
   86    HZ   PHE  10           HZ       PHE  10  -3.144   5.950  -5.069
   87    H    GLU  11           H        GLU  11  -8.033   2.418  -0.842
   88    HA   GLU  11           HA       GLU  11  -7.435   5.082   0.004
   89   1HB   GLU  11          1HB       GLU  11  -9.763   3.239   0.646
   90   2HB   GLU  11          2HB       GLU  11  -9.670   4.929   1.165
   91   1HG   GLU  11          1HG       GLU  11  -9.494   5.710  -1.134
   92   2HG   GLU  11          2HG       GLU  11  -9.457   4.056  -1.745
   93    H    LYS  12           H        LYS  12  -7.899   2.079   1.926
   94    HA   LYS  12           HA       LYS  12  -7.488   2.915   4.545
   95   1HB   LYS  12          1HB       LYS  12  -7.980   0.668   4.152
   96   2HB   LYS  12          2HB       LYS  12  -6.591   0.451   3.102
   97   1HG   LYS  12          1HG       LYS  12  -6.068  -0.626   5.080
   98   2HG   LYS  12          2HG       LYS  12  -5.052   0.813   4.966
   99   1HD   LYS  12          1HD       LYS  12  -6.629   1.992   6.548
  100   2HD   LYS  12          2HD       LYS  12  -7.527   0.473   6.717
  101   1HE   LYS  12          1HE       LYS  12  -4.596   0.963   7.448
  102   2HE   LYS  12          2HE       LYS  12  -5.948   0.796   8.581
  103   1HZ   LYS  12          3HZ       LYS  12  -6.234  -1.456   7.729
  104   2HZ   LYS  12          1HZ       LYS  12  -4.876  -1.283   6.804
  105   3HZ   LYS  12          2HZ       LYS  12  -4.767  -1.220   8.440
  106    H    TYR  13           H        TYR  13  -4.861   2.181   2.211
  107    HA   TYR  13           HA       TYR  13  -2.910   3.202   4.168
  108   1HB   TYR  13          1HB       TYR  13  -2.592   1.983   1.436
  109   2HB   TYR  13          2HB       TYR  13  -1.253   2.543   2.444
  110    HD1  TYR  13           HD1      TYR  13  -0.997   1.639   4.783
  111    HD2  TYR  13           HD2      TYR  13  -3.811  -0.094   2.053
  112    HE1  TYR  13           HE1      TYR  13  -1.376  -0.258   6.347
  113    HE2  TYR  13           HE2      TYR  13  -4.227  -1.923   3.570
  114    HH   TYR  13           HH       TYR  13  -3.641  -2.915   5.653
  115    H    ALA  14           H        ALA  14  -4.095   4.285   0.999
  116    HA   ALA  14           HA       ALA  14  -2.420   6.526   0.677
  117   1HB   ALA  14          1HB       ALA  14  -5.305   6.140  -0.197
  118   2HB   ALA  14          2HB       ALA  14  -4.193   7.358  -0.841
  119   3HB   ALA  14          3HB       ALA  14  -3.859   5.641  -1.106
  120    H    ALA  15           H        ALA  15  -5.436   6.244   2.506
  121    HA   ALA  15           HA       ALA  15  -5.890   8.899   3.191
  122   1HB   ALA  15          1HB       ALA  15  -6.103   6.432   4.976
  123   2HB   ALA  15          2HB       ALA  15  -6.865   8.002   5.299
  124   3HB   ALA  15          3HB       ALA  15  -7.366   7.055   3.882
  125    H    LYS  16           H        LYS  16  -3.315   6.710   4.380
  126    HA   LYS  16           HA       LYS  16  -2.572   8.364   6.622
  127   1HB   LYS  16          1HB       LYS  16  -0.951   6.231   5.202
  128   2HB   LYS  16          2HB       LYS  16  -0.670   6.877   6.819
  129   1HG   LYS  16          1HG       LYS  16  -2.838   5.950   7.577
  130   2HG   LYS  16          2HG       LYS  16  -3.140   5.281   5.961
  131   1HD   LYS  16          1HD       LYS  16  -0.994   3.988   6.125
  132   2HD   LYS  16          2HD       LYS  16  -0.833   4.520   7.806
  133   1HE   LYS  16          1HE       LYS  16  -3.149   2.896   6.632
  134   2HE   LYS  16          2HE       LYS  16  -1.837   2.255   7.637
  135   1HZ   LYS  16          3HZ       LYS  16  -2.593   3.693   9.405
  136   2HZ   LYS  16          1HZ       LYS  16  -3.838   4.235   8.470
  137   3HZ   LYS  16          2HZ       LYS  16  -3.780   2.654   8.927
  138    H    GLU  17           H        GLU  17  -1.735   8.227   3.176
  139    HA   GLU  17           HA       GLU  17   0.577  10.010   3.337
  140   1HB   GLU  17          1HB       GLU  17   0.123   8.547   1.328
  141   2HB   GLU  17          2HB       GLU  17  -1.340   9.486   1.011
  142   1HG   GLU  17          1HG       GLU  17   0.191  11.570   0.921
  143   2HG   GLU  17          2HG       GLU  17   1.531  10.424   0.839
  144    H    GLY  18           H        GLY  18  -2.887  10.204   2.689
  145   1HA   GLY  18          1HA       GLY  18  -3.948  12.117   4.074
  146   2HA   GLY  18          2HA       GLY  18  -2.931  13.179   3.083
  147    H    ASP  19           H        ASP  19  -2.984  12.292   0.614
  148    HA   ASP  19           HA       ASP  19  -5.680  12.823  -0.286
  149   1HB   ASP  19          1HB       ASP  19  -3.852  13.685  -1.580
  150   2HB   ASP  19          2HB       ASP  19  -3.141  12.073  -1.753
  151    HA   PRO  20           HA       PRO  20  -6.545   8.361   0.262
  152   1HB   PRO  20          1HB       PRO  20  -9.074   8.345  -0.900
  153   2HB   PRO  20          2HB       PRO  20  -8.729   8.753   0.816
  154   1HG   PRO  20          1HG       PRO  20  -9.139  10.590  -1.552
  155   2HG   PRO  20          2HG       PRO  20  -9.807  10.763   0.097
  156   1HD   PRO  20          1HD       PRO  20  -7.665  12.160  -0.695
  157   2HD   PRO  20          2HD       PRO  20  -7.714  11.472   0.955
  158    H    ASN  21           H        ASN  21  -6.614  10.205  -2.719
  159    HA   ASN  21           HA       ASN  21  -6.982   7.944  -4.508
  160   1HB   ASN  21          1HB       ASN  21  -6.197  10.821  -5.086
  161   2HB   ASN  21          2HB       ASN  21  -6.791   9.627  -6.232
  162   1HD2  ASN  21          1HD2      ASN  21  -9.410  11.761  -3.978
  163   2HD2  ASN  21          2HD2      ASN  21  -7.670  11.938  -3.767
  164    H    GLN  22           H        GLN  22  -4.223   9.029  -2.780
  165    HA   GLN  22           HA       GLN  22  -2.380   8.024  -4.891
  166   1HB   GLN  22          1HB       GLN  22  -2.708  10.433  -5.081
  167   2HB   GLN  22          2HB       GLN  22  -2.164  10.654  -3.415
  168   1HG   GLN  22          1HG       GLN  22   0.073   9.931  -4.005
  169   2HG   GLN  22          2HG       GLN  22  -0.471   9.325  -5.581
  170   1HE2  GLN  22          1HE2      GLN  22   0.521  13.240  -5.257
  171   2HE2  GLN  22          2HE2      GLN  22   0.754  12.134  -3.912
  172    H    LEU  23           H        LEU  23  -0.719   6.735  -4.173
  173    HA   LEU  23           HA       LEU  23  -0.312   6.410  -1.246
  174   1HB   LEU  23          1HB       LEU  23   0.304   4.639  -3.627
  175   2HB   LEU  23          2HB       LEU  23   0.798   4.340  -1.981
  176    HG   LEU  23           HG       LEU  23  -2.129   4.603  -2.708
  177   1HD1  LEU  23          3HD1      LEU  23  -1.047   2.756  -4.026
  178   2HD1  LEU  23          1HD1      LEU  23  -0.408   2.095  -2.511
  179   3HD1  LEU  23          2HD1      LEU  23  -2.156   2.124  -2.785
  180   1HD2  LEU  23          1HD2      LEU  23  -1.471   4.746  -0.274
  181   2HD2  LEU  23          2HD2      LEU  23  -2.509   3.364  -0.663
  182   3HD2  LEU  23          3HD2      LEU  23  -0.770   3.120  -0.419
  183    H    SER  24           H        SER  24   1.658   6.874  -0.391
  184    HA   SER  24           HA       SER  24   3.927   7.755  -2.011
  185   1HB   SER  24          1HB       SER  24   4.950   8.172   0.150
  186   2HB   SER  24          2HB       SER  24   3.271   8.711   0.251
  187    HG   SER  24           HG       SER  24   3.321   7.424   1.959
  188    H    LYS  25           H        LYS  25   6.133   6.653  -1.336
  189    HA   LYS  25           HA       LYS  25   6.128   3.892  -1.981
  190   1HB   LYS  25          1HB       LYS  25   8.164   5.587  -0.423
  191   2HB   LYS  25          2HB       LYS  25   8.449   3.916  -0.927
  192   1HG   LYS  25          1HG       LYS  25   8.187   4.548  -3.286
  193   2HG   LYS  25          2HG       LYS  25   7.941   6.242  -2.813
  194   1HD   LYS  25          1HD       LYS  25  10.199   6.278  -1.784
  195   2HD   LYS  25          2HD       LYS  25  10.442   4.580  -2.246
  196   1HE   LYS  25          1HE       LYS  25  10.199   5.184  -4.640
  197   2HE   LYS  25          2HE       LYS  25   9.931   6.879  -4.194
  198   1HZ   LYS  25          3HZ       LYS  25  12.124   6.911  -3.252
  199   2HZ   LYS  25          1HZ       LYS  25  12.377   5.336  -3.672
  200   3HZ   LYS  25          2HZ       LYS  25  12.178   6.480  -4.841
  201    H    GLU  26           H        GLU  26   6.167   5.581   1.174
  202    HA   GLU  26           HA       GLU  26   6.464   3.172   2.695
  203   1HB   GLU  26          1HB       GLU  26   7.052   5.432   3.572
  204   2HB   GLU  26          2HB       GLU  26   5.345   5.914   3.499
  205   1HG   GLU  26          1HG       GLU  26   4.756   4.264   5.208
  206   2HG   GLU  26          2HG       GLU  26   6.403   3.602   5.182
  207    H    GLU  27           H        GLU  27   3.621   5.089   1.760
  208    HA   GLU  27           HA       GLU  27   1.763   3.362   3.116
  209   1HB   GLU  27          1HB       GLU  27   1.496   5.345   0.863
  210   2HB   GLU  27          2HB       GLU  27   0.170   4.254   1.276
  211   1HG   GLU  27          1HG       GLU  27  -0.122   6.356   2.461
  212   2HG   GLU  27          2HG       GLU  27   0.087   4.982   3.552
  213    H    LEU  28           H        LEU  28   3.061   3.201  -0.315
  214    HA   LEU  28           HA       LEU  28   1.787   0.721  -0.852
  215   1HB   LEU  28          1HB       LEU  28   4.334   2.032  -1.844
  216   2HB   LEU  28          2HB       LEU  28   3.945   0.377  -2.347
  217    HG   LEU  28           HG       LEU  28   1.872   2.507  -2.438
  218   1HD1  LEU  28          1HD1      LEU  28   3.952   2.007  -4.583
  219   2HD1  LEU  28          2HD1      LEU  28   2.455   2.949  -4.813
  220   3HD1  LEU  28          3HD1      LEU  28   3.671   3.508  -3.648
  221   1HD2  LEU  28          1HD2      LEU  28   1.175   0.113  -2.890
  222   2HD2  LEU  28          2HD2      LEU  28   0.985   1.102  -4.344
  223   3HD2  LEU  28          3HD2      LEU  28   2.383   0.027  -4.182
  224    H    LYS  29           H        LYS  29   4.839   1.296   0.873
  225    HA   LYS  29           HA       LYS  29   5.509  -1.488   0.915
  226   1HB   LYS  29          1HB       LYS  29   7.017   0.443   1.590
  227   2HB   LYS  29          2HB       LYS  29   6.067   0.671   3.031
  228   1HG   LYS  29          1HG       LYS  29   6.643  -1.625   3.820
  229   2HG   LYS  29          2HG       LYS  29   7.608  -1.881   2.353
  230   1HD   LYS  29          1HD       LYS  29   9.101  -0.029   2.984
  231   2HD   LYS  29          2HD       LYS  29   8.115   0.325   4.412
  232   1HE   LYS  29          1HE       LYS  29   9.557  -2.329   3.928
  233   2HE   LYS  29          2HE       LYS  29  10.194  -0.995   4.902
  234   1HZ   LYS  29          3HZ       LYS  29   8.270  -1.189   6.318
  235   2HZ   LYS  29          1HZ       LYS  29   7.725  -2.493   5.472
  236   3HZ   LYS  29          2HZ       LYS  29   9.152  -2.577   6.282
  237    H    LEU  30           H        LEU  30   3.852   0.515   3.319
  238    HA   LEU  30           HA       LEU  30   3.189  -1.668   5.035
  239   1HB   LEU  30          1HB       LEU  30   2.045   1.117   4.643
  240   2HB   LEU  30          2HB       LEU  30   1.144  -0.046   5.618
  241    HG   LEU  30           HG       LEU  30   2.993  -0.369   7.143
  242   1HD1  LEU  30          1HD1      LEU  30   4.486   1.741   5.528
  243   2HD1  LEU  30          2HD1      LEU  30   4.989   1.089   7.095
  244   3HD1  LEU  30          3HD1      LEU  30   4.946   0.028   5.683
  245   1HD2  LEU  30          1HD2      LEU  30   1.337   1.419   7.558
  246   2HD2  LEU  30          2HD2      LEU  30   2.931   1.863   8.193
  247   3HD2  LEU  30          3HD2      LEU  30   2.354   2.576   6.672
  248    H    LEU  31           H        LEU  31   1.288  -0.289   2.386
  249    HA   LEU  31           HA       LEU  31  -0.938  -1.988   2.520
  250   1HB   LEU  31          1HB       LEU  31  -0.627  -0.019   1.052
  251   2HB   LEU  31          2HB       LEU  31   0.462  -0.936   0.018
  252    HG   LEU  31           HG       LEU  31  -2.404  -1.767   0.550
  253   1HD1  LEU  31          1HD1      LEU  31  -1.276   0.007  -1.661
  254   2HD1  LEU  31          2HD1      LEU  31  -2.932  -0.617  -1.634
  255   3HD1  LEU  31          3HD1      LEU  31  -2.402   0.520  -0.387
  256   1HD2  LEU  31          3HD2      LEU  31  -0.410  -2.440  -1.672
  257   2HD2  LEU  31          1HD2      LEU  31  -1.130  -3.563  -0.501
  258   3HD2  LEU  31          2HD2      LEU  31  -2.137  -2.834  -1.743
  259    H    LEU  32           H        LEU  32   2.067  -2.462   0.692
  260    HA   LEU  32           HA       LEU  32   1.472  -5.040  -0.364
  261   1HB   LEU  32          1HB       LEU  32   4.115  -3.688   0.327
  262   2HB   LEU  32          2HB       LEU  32   4.030  -5.248  -0.485
  263    HG   LEU  32           HG       LEU  32   2.654  -2.814  -1.664
  264   1HD1  LEU  32          1HD1      LEU  32   5.512  -3.774  -2.142
  265   2HD1  LEU  32          2HD1      LEU  32   4.670  -2.509  -3.064
  266   3HD1  LEU  32          3HD1      LEU  32   5.047  -2.252  -1.355
  267   1HD2  LEU  32          3HD2      LEU  32   3.703  -5.411  -2.848
  268   2HD2  LEU  32          1HD2      LEU  32   1.992  -5.005  -2.573
  269   3HD2  LEU  32          2HD2      LEU  32   2.941  -4.085  -3.751
  270    H    GLN  33           H        GLN  33   3.403  -4.141   2.504
  271    HA   GLN  33           HA       GLN  33   4.097  -6.767   3.224
  272   1HB   GLN  33          1HB       GLN  33   5.261  -4.662   3.808
  273   2HB   GLN  33          2HB       GLN  33   3.951  -4.228   4.917
  274   1HG   GLN  33          1HG       GLN  33   4.510  -6.072   6.384
  275   2HG   GLN  33          2HG       GLN  33   5.593  -6.775   5.168
  276   1HE2  GLN  33          1HE2      GLN  33   8.202  -5.204   6.995
  277   2HE2  GLN  33          2HE2      GLN  33   7.429  -6.720   6.569
  278    H    THR  34           H        THR  34   1.482  -4.662   4.366
  279    HA   THR  34           HA       THR  34   0.632  -6.542   6.402
  280    HB   THR  34           HB       THR  34  -0.897  -4.145   5.313
  281    HG1  THR  34           HG1      THR  34   1.058  -3.416   5.935
  282   1HG2  THR  34          1HG2      THR  34  -0.929  -5.551   8.021
  283   2HG2  THR  34          2HG2      THR  34  -1.828  -4.080   7.602
  284   3HG2  THR  34          3HG2      THR  34  -2.225  -5.614   6.805
  285    H    GLU  35           H        GLU  35  -0.670  -5.582   3.131
  286    HA   GLU  35           HA       GLU  35  -2.924  -7.410   3.557
  287   1HB   GLU  35          1HB       GLU  35  -2.316  -5.415   1.345
  288   2HB   GLU  35          2HB       GLU  35  -3.828  -6.260   1.620
  289   1HG   GLU  35          1HG       GLU  35  -2.509  -4.242   3.507
  290   2HG   GLU  35          2HG       GLU  35  -3.845  -3.923   2.423
  291    H    PHE  36           H        PHE  36   0.016  -7.229   1.606
  292    HA   PHE  36           HA       PHE  36  -0.745  -9.804   0.279
  293   1HB   PHE  36          1HB       PHE  36   0.637  -7.423  -0.986
  294   2HB   PHE  36          2HB       PHE  36   0.355  -8.973  -1.749
  295    HD1  PHE  36           HD1      PHE  36  -1.152  -5.826  -0.632
  296    HD2  PHE  36           HD2      PHE  36  -1.919  -9.578  -2.585
  297    HE1  PHE  36           HE1      PHE  36  -3.403  -5.010  -1.316
  298    HE2  PHE  36           HE2      PHE  36  -4.101  -8.660  -3.448
  299    HZ   PHE  36           HZ       PHE  36  -4.934  -6.514  -2.557
  300    HA   PRO  37           HA       PRO  37   3.431  -9.678   2.516
  301   1HB   PRO  37          1HB       PRO  37   3.141 -12.012   3.946
  302   2HB   PRO  37          2HB       PRO  37   2.608 -10.408   4.522
  303   1HG   PRO  37          1HG       PRO  37   0.925 -12.538   3.188
  304   2HG   PRO  37          2HG       PRO  37   0.548 -11.605   4.667
  305   1HD   PRO  37          1HD       PRO  37  -0.456 -10.915   2.247
  306   2HD   PRO  37          2HD       PRO  37   0.049  -9.644   3.386
  307    H    SER  38           H        SER  38   1.535 -12.086   0.738
  308    HA   SER  38           HA       SER  38   3.427 -14.036   0.177
  309   1HB   SER  38          1HB       SER  38   1.291 -13.195  -1.791
  310   2HB   SER  38          2HB       SER  38   1.755 -14.821  -1.253
  311    HG   SER  38           HG       SER  38  -0.226 -14.179  -0.297
  312    H    LEU  39           H        LEU  39   3.003 -10.798  -1.119
  313    HA   LEU  39           HA       LEU  39   4.487 -11.261  -3.596
  314   1HB   LEU  39          1HB       LEU  39   3.386  -8.895  -2.084
  315   2HB   LEU  39          2HB       LEU  39   4.389  -8.663  -3.532
  316    HG   LEU  39           HG       LEU  39   1.713 -10.117  -3.387
  317   1HD1  LEU  39          3HD1      LEU  39   1.675  -7.592  -3.185
  318   2HD1  LEU  39          1HD1      LEU  39   2.488  -7.497  -4.755
  319   3HD1  LEU  39          2HD1      LEU  39   0.861  -8.200  -4.637
  320   1HD2  LEU  39          3HD2      LEU  39   3.552  -9.593  -5.764
  321   2HD2  LEU  39          1HD2      LEU  39   2.980 -11.172  -5.177
  322   3HD2  LEU  39          2HD2      LEU  39   1.842 -10.045  -5.910
  323    H    LEU  40           H        LEU  40   5.301 -10.513  -0.253
  324    HA   LEU  40           HA       LEU  40   7.863  -9.258  -0.991
  325   1HB   LEU  40          1HB       LEU  40   6.734 -10.085   1.667
  326   2HB   LEU  40          2HB       LEU  40   8.368  -9.469   1.344
  327    HG   LEU  40           HG       LEU  40   7.534  -7.341   0.535
  328   1HD1  LEU  40          1HD1      LEU  40   4.760  -8.467   1.098
  329   2HD1  LEU  40          2HD1      LEU  40   5.109  -6.739   0.913
  330   3HD1  LEU  40          3HD1      LEU  40   5.381  -7.834  -0.443
  331   1HD2  LEU  40          1HD2      LEU  40   8.001  -7.646   2.943
  332   2HD2  LEU  40          2HD2      LEU  40   6.705  -6.467   2.682
  333   3HD2  LEU  40          3HD2      LEU  40   6.311  -8.120   3.212
  334    H    LYS  41           H        LYS  41   8.381 -10.932  -2.288
  335    HA   LYS  41           HA       LYS  41   9.662 -13.380  -1.136
  336   1HB   LYS  41          1HB       LYS  41   8.840 -12.552  -3.962
  337   2HB   LYS  41          2HB       LYS  41   9.745 -14.010  -3.559
  338   1HG   LYS  41          1HG       LYS  41   7.889 -14.872  -2.210
  339   2HG   LYS  41          2HG       LYS  41   7.033 -13.342  -2.346
  340   1HD   LYS  41          1HD       LYS  41   6.039 -14.985  -3.838
  341   2HD   LYS  41          2HD       LYS  41   6.690 -13.609  -4.726
  342   1HE   LYS  41          1HE       LYS  41   7.168 -15.758  -5.862
  343   2HE   LYS  41          2HE       LYS  41   8.656 -14.916  -5.422
  344   1HZ   LYS  41          1HZ       LYS  41   7.427 -17.121  -3.912
  345   2HZ   LYS  41          2HZ       LYS  41   8.740 -17.245  -4.903
  346   3HZ   LYS  41          3HZ       LYS  41   8.833 -16.352  -3.522
  347    H    GLY  42           H        GLY  42  10.262 -11.154  -3.826
  348   1HA   GLY  42          1HA       GLY  42  12.591  -9.848  -3.248
  349   2HA   GLY  42          2HA       GLY  42  13.114 -11.477  -3.758
  350    H    GLY  43           H        GLY  43  13.663  -9.201  -5.348
  351   1HA   GLY  43          1HA       GLY  43  13.311  -9.676  -7.920
  352   2HA   GLY  43          2HA       GLY  43  11.677  -9.097  -7.520
  353    H    SER  44           H        SER  44  12.025  -7.175  -8.837
  354    HA   SER  44           HA       SER  44  14.001  -5.257  -8.513
  355   1HB   SER  44          1HB       SER  44  11.039  -4.700  -8.930
  356   2HB   SER  44          2HB       SER  44  12.422  -3.836  -9.629
  357    HG   SER  44           HG       SER  44  12.897  -5.758 -10.809
  358    H    THR  45           H        THR  45  14.215  -3.425  -7.152
  359    HA   THR  45           HA       THR  45  13.365  -3.696  -4.448
  360    HB   THR  45           HB       THR  45  14.196  -1.351  -4.211
  361    HG1  THR  45           HG1      THR  45  14.716  -1.469  -6.986
  362   1HG2  THR  45          3HG2      THR  45  15.824  -3.197  -4.150
  363   2HG2  THR  45          1HG2      THR  45  16.035  -3.106  -5.908
  364   3HG2  THR  45          2HG2      THR  45  16.518  -1.740  -4.886
  365    H    LEU  46           H        LEU  46  11.901  -2.356  -3.212
  366    HA   LEU  46           HA       LEU  46   9.384  -1.741  -4.175
  367   1HB   LEU  46          1HB       LEU  46   9.958  -1.755  -1.780
  368   2HB   LEU  46          2HB       LEU  46  11.083  -0.410  -2.022
  369    HG   LEU  46           HG       LEU  46   9.206   1.107  -2.557
  370   1HD1  LEU  46          1HD1      LEU  46   7.449  -1.301  -1.877
  371   2HD1  LEU  46          2HD1      LEU  46   6.872   0.367  -2.060
  372   3HD1  LEU  46          3HD1      LEU  46   7.542  -0.488  -3.455
  373   1HD2  LEU  46          1HD2      LEU  46  10.047   0.900  -0.254
  374   2HD2  LEU  46          2HD2      LEU  46   8.312   1.257  -0.289
  375   3HD2  LEU  46          3HD2      LEU  46   8.870  -0.394   0.066
  376    H    ASP  47           H        ASP  47  12.262   0.339  -4.129
  377    HA   ASP  47           HA       ASP  47  11.122   2.671  -5.173
  378   1HB   ASP  47          1HB       ASP  47  13.935   1.551  -5.564
  379   2HB   ASP  47          2HB       ASP  47  13.444   3.228  -5.819
  380    H    GLU  48           H        GLU  48  12.807   0.090  -6.974
  381    HA   GLU  48           HA       GLU  48  12.246   1.100  -9.582
  382   1HB   GLU  48          1HB       GLU  48  12.639  -1.718  -8.541
  383   2HB   GLU  48          2HB       GLU  48  12.444  -1.357 -10.266
  384   1HG   GLU  48          1HG       GLU  48  14.436  -0.053 -10.362
  385   2HG   GLU  48          2HG       GLU  48  14.603   0.004  -8.607
  386    H    LEU  49           H        LEU  49  10.364  -1.081  -7.505
  387    HA   LEU  49           HA       LEU  49   8.286  -1.594  -9.352
  388   1HB   LEU  49          1HB       LEU  49   8.894  -2.556  -6.900
  389   2HB   LEU  49          2HB       LEU  49   7.665  -1.403  -6.404
  390    HG   LEU  49           HG       LEU  49   6.683  -3.551  -6.641
  391   1HD1  LEU  49          3HD1      LEU  49   5.309  -1.673  -7.492
  392   2HD1  LEU  49          1HD1      LEU  49   5.867  -2.032  -9.148
  393   3HD1  LEU  49          2HD1      LEU  49   4.915  -3.224  -8.256
  394   1HD2  LEU  49          1HD2      LEU  49   8.397  -4.589  -8.088
  395   2HD2  LEU  49          2HD2      LEU  49   6.746  -4.937  -8.626
  396   3HD2  LEU  49          3HD2      LEU  49   7.722  -3.747  -9.499
  397    H    PHE  50           H        PHE  50   8.576   0.869  -6.831
  398    HA   PHE  50           HA       PHE  50   6.144   2.246  -7.156
  399   1HB   PHE  50          1HB       PHE  50   7.723   2.537  -5.293
  400   2HB   PHE  50          2HB       PHE  50   8.898   3.279  -6.361
  401    HD1  PHE  50           HD1      PHE  50   5.639   3.718  -4.712
  402    HD2  PHE  50           HD2      PHE  50   8.690   5.620  -7.078
  403    HE1  PHE  50           HE1      PHE  50   4.908   5.918  -3.872
  404    HE2  PHE  50           HE2      PHE  50   7.991   7.831  -6.187
  405    HZ   PHE  50           HZ       PHE  50   6.230   7.953  -4.444
  406    H    GLU  51           H        GLU  51   9.334   2.841  -8.705
  407    HA   GLU  51           HA       GLU  51   8.535   4.984 -10.379
  408   1HB   GLU  51          1HB       GLU  51  10.649   2.828 -10.745
  409   2HB   GLU  51          2HB       GLU  51  10.508   4.248 -11.783
  410   1HG   GLU  51          1HG       GLU  51  11.100   5.749 -10.052
  411   2HG   GLU  51          2HG       GLU  51  10.765   4.587  -8.769
  412    H    GLU  52           H        GLU  52   8.552   1.485 -11.005
  413    HA   GLU  52           HA       GLU  52   7.490   1.594 -13.627
  414   1HB   GLU  52          1HB       GLU  52   8.481  -0.436 -12.894
  415   2HB   GLU  52          2HB       GLU  52   7.438  -0.545 -11.482
  416   1HG   GLU  52          1HG       GLU  52   6.810  -2.201 -13.134
  417   2HG   GLU  52          2HG       GLU  52   5.491  -1.070 -12.842
  418    H    LEU  53           H        LEU  53   5.766   1.439 -10.506
  419    HA   LEU  53           HA       LEU  53   3.149   1.372 -11.694
  420   1HB   LEU  53          1HB       LEU  53   4.039   2.381  -8.955
  421   2HB   LEU  53          2HB       LEU  53   2.393   2.082  -9.506
  422    HG   LEU  53           HG       LEU  53   4.525   0.014  -8.990
  423   1HD1  LEU  53          3HD1      LEU  53   3.338   0.948  -7.033
  424   2HD1  LEU  53          1HD1      LEU  53   1.786   0.481  -7.760
  425   3HD1  LEU  53          2HD1      LEU  53   2.960  -0.762  -7.283
  426   1HD2  LEU  53          3HD2      LEU  53   1.782  -0.389 -10.214
  427   2HD2  LEU  53          1HD2      LEU  53   3.356  -0.730 -10.981
  428   3HD2  LEU  53          2HD2      LEU  53   2.840  -1.688  -9.600
  429    H    ASP  54           H        ASP  54   5.161   4.031 -10.525
  430    HA   ASP  54           HA       ASP  54   3.144   6.045 -10.896
  431   1HB   ASP  54          1HB       ASP  54   4.898   6.196  -9.188
  432   2HB   ASP  54          2HB       ASP  54   6.125   6.284 -10.444
  433    H    LYS  55           H        LYS  55   2.902   5.022 -13.240
  434    HA   LYS  55           HA       LYS  55   4.624   5.624 -15.357
  435   1HB   LYS  55          1HB       LYS  55   1.598   5.443 -15.307
  436   2HB   LYS  55          2HB       LYS  55   2.571   5.492 -16.781
  437   1HG   LYS  55          1HG       LYS  55   2.728   3.314 -14.639
  438   2HG   LYS  55          2HG       LYS  55   1.929   3.230 -16.212
  439   1HD   LYS  55          1HD       LYS  55   4.223   3.732 -17.270
  440   2HD   LYS  55          2HD       LYS  55   4.905   3.420 -15.655
  441   1HE   LYS  55          1HE       LYS  55   3.804   1.169 -15.664
  442   2HE   LYS  55          2HE       LYS  55   3.254   1.467 -17.321
  443   1HZ   LYS  55          1HZ       LYS  55   6.045   1.398 -16.414
  444   2HZ   LYS  55          2HZ       LYS  55   5.272   0.208 -17.239
  445   3HZ   LYS  55          3HZ       LYS  55   5.552   1.665 -17.967
  446    H    ASN  56           H        ASN  56   2.208   7.716 -13.836
  447    HA   ASN  56           HA       ASN  56   2.479   9.783 -15.883
  448   1HB   ASN  56          1HB       ASN  56   0.937  11.068 -14.688
  449   2HB   ASN  56          2HB       ASN  56   0.369   9.395 -14.600
  450   1HD2  ASN  56          1HD2      ASN  56  -0.091  10.603 -11.177
  451   2HD2  ASN  56          2HD2      ASN  56  -0.931  10.633 -12.737
  452    H    GLY  57           H        GLY  57   4.485   8.825 -13.287
  453   1HA   GLY  57          1HA       GLY  57   6.337   9.724 -12.381
  454   2HA   GLY  57          2HA       GLY  57   6.374  10.851 -13.743
  455    H    ASP  58           H        ASP  58   3.646  10.752 -11.365
  456    HA   ASP  58           HA       ASP  58   4.127  13.536 -10.798
  457   1HB   ASP  58          1HB       ASP  58   2.131  13.534  -9.659
  458   2HB   ASP  58          2HB       ASP  58   1.873  12.533 -11.072
  459    H    GLY  59           H        GLY  59   5.395  10.657  -9.420
  460   1HA   GLY  59          1HA       GLY  59   7.232  10.828  -7.946
  461   2HA   GLY  59          2HA       GLY  59   6.533  12.246  -7.161
  462    H    GLU  60           H        GLU  60   3.907  10.305  -7.536
  463    HA   GLU  60           HA       GLU  60   4.289   8.309  -5.435
  464   1HB   GLU  60          1HB       GLU  60   2.272  10.585  -5.293
  465   2HB   GLU  60          2HB       GLU  60   2.259   9.144  -4.258
  466   1HG   GLU  60          1HG       GLU  60   4.605   9.802  -3.500
  467   2HG   GLU  60          2HG       GLU  60   4.346  11.354  -4.314
  468    H    VAL  61           H        VAL  61   2.082   7.070  -5.348
  469    HA   VAL  61           HA       VAL  61   1.512   6.546  -8.246
  470    HB   VAL  61           HB       VAL  61   1.155   4.595  -5.971
  471   1HG1  VAL  61          3HG1      VAL  61   0.098   4.215  -8.274
  472   2HG1  VAL  61          1HG1      VAL  61   1.758   4.229  -8.927
  473   3HG1  VAL  61          2HG1      VAL  61   1.257   2.981  -7.756
  474   1HG2  VAL  61          3HG2      VAL  61   3.644   5.215  -7.618
  475   2HG2  VAL  61          1HG2      VAL  61   3.486   5.189  -5.850
  476   3HG2  VAL  61          2HG2      VAL  61   3.405   3.681  -6.775
  477    H    SER  62           H        SER  62  -0.399   7.393  -8.895
  478    HA   SER  62           HA       SER  62  -2.620   7.751  -7.050
  479   1HB   SER  62          1HB       SER  62  -3.811   8.614  -9.017
  480   2HB   SER  62          2HB       SER  62  -2.249   9.404  -8.761
  481    HG   SER  62           HG       SER  62  -1.388   8.270 -10.445
  482    H    PHE  63           H        PHE  63  -4.742   6.742  -7.298
  483    HA   PHE  63           HA       PHE  63  -4.660   3.985  -7.444
  484   1HB   PHE  63          1HB       PHE  63  -6.511   5.217  -6.404
  485   2HB   PHE  63          2HB       PHE  63  -7.103   5.703  -7.996
  486    HD1  PHE  63           HD1      PHE  63  -6.217   2.639  -6.016
  487    HD2  PHE  63           HD2      PHE  63  -8.674   4.269  -9.149
  488    HE1  PHE  63           HE1      PHE  63  -7.403   0.482  -6.196
  489    HE2  PHE  63           HE2      PHE  63  -9.805   2.081  -9.388
  490    HZ   PHE  63           HZ       PHE  63  -9.205   0.187  -7.861
  491    H    GLU  64           H        GLU  64  -5.176   6.139 -10.207
  492    HA   GLU  64           HA       GLU  64  -6.114   4.069 -11.962
  493   1HB   GLU  64          1HB       GLU  64  -4.638   6.665 -12.648
  494   2HB   GLU  64          2HB       GLU  64  -5.614   5.677 -13.751
  495   1HG   GLU  64          1HG       GLU  64  -6.587   7.299 -11.351
  496   2HG   GLU  64          2HG       GLU  64  -6.909   7.601 -13.058
  497    H    GLU  65           H        GLU  65  -2.833   5.604 -11.696
  498    HA   GLU  65           HA       GLU  65  -1.720   3.646 -13.479
  499   1HB   GLU  65          1HB       GLU  65   0.392   4.652 -13.043
  500   2HB   GLU  65          2HB       GLU  65  -0.847   5.893 -13.231
  501   1HG   GLU  65          1HG       GLU  65  -0.995   5.849 -10.623
  502   2HG   GLU  65          2HG       GLU  65   0.549   4.994 -10.695
  503    H    PHE  66           H        PHE  66  -2.179   3.691  -9.967
  504    HA   PHE  66           HA       PHE  66  -0.647   1.456  -9.174
  505   1HB   PHE  66          1HB       PHE  66  -1.768   2.723  -7.543
  506   2HB   PHE  66          2HB       PHE  66  -3.276   2.615  -8.428
  507    HD1  PHE  66           HD1      PHE  66  -1.009   0.577  -6.260
  508    HD2  PHE  66           HD2      PHE  66  -4.881   1.020  -8.053
  509    HE1  PHE  66           HE1      PHE  66  -1.940  -1.137  -4.707
  510    HE2  PHE  66           HE2      PHE  66  -5.721  -0.946  -6.806
  511    HZ   PHE  66           HZ       PHE  66  -4.305  -1.871  -4.934
  512    H    GLN  67           H        GLN  67  -3.549   1.511 -11.285
  513    HA   GLN  67           HA       GLN  67  -4.164  -1.234 -11.040
  514   1HB   GLN  67          1HB       GLN  67  -4.350   0.428 -13.577
  515   2HB   GLN  67          2HB       GLN  67  -5.076  -1.154 -13.301
  516   1HG   GLN  67          1HG       GLN  67  -5.891   1.475 -12.045
  517   2HG   GLN  67          2HG       GLN  67  -6.841   0.352 -13.001
  518   1HE2  GLN  67          1HE2      GLN  67  -6.705   0.053  -8.964
  519   2HE2  GLN  67          2HE2      GLN  67  -6.065   1.408  -9.873
  520    H    VAL  68           H        VAL  68  -1.315   0.197 -12.506
  521    HA   VAL  68           HA       VAL  68  -0.453  -2.046 -14.046
  522    HB   VAL  68           HB       VAL  68   1.117   0.066 -12.520
  523   1HG1  VAL  68          1HG1      VAL  68   2.085  -1.893 -14.644
  524   2HG1  VAL  68          2HG1      VAL  68   3.009  -0.524 -13.994
  525   3HG1  VAL  68          3HG1      VAL  68   2.588  -1.873 -12.940
  526   1HG2  VAL  68          1HG2      VAL  68  -0.359   0.921 -14.386
  527   2HG2  VAL  68          2HG2      VAL  68   1.364   1.112 -14.726
  528   3HG2  VAL  68          3HG2      VAL  68   0.449  -0.202 -15.491
  529    H    LEU  69           H        LEU  69  -0.485  -1.474 -10.520
  530    HA   LEU  69           HA       LEU  69   1.144  -3.830  -9.940
  531   1HB   LEU  69          1HB       LEU  69   0.919  -1.835  -8.358
  532   2HB   LEU  69          2HB       LEU  69  -0.765  -2.284  -8.132
  533    HG   LEU  69           HG       LEU  69   0.036  -4.562  -7.311
  534   1HD1  LEU  69          1HD1      LEU  69   2.715  -3.119  -7.181
  535   2HD1  LEU  69          2HD1      LEU  69   2.339  -4.686  -6.443
  536   3HD1  LEU  69          3HD1      LEU  69   2.355  -4.528  -8.203
  537   1HD2  LEU  69          3HD2      LEU  69   0.820  -2.063  -5.767
  538   2HD2  LEU  69          1HD2      LEU  69  -0.770  -2.861  -5.795
  539   3HD2  LEU  69          2HD2      LEU  69   0.616  -3.686  -5.069
  540    H    VAL  70           H        VAL  70  -2.318  -2.883  -9.888
  541    HA   VAL  70           HA       VAL  70  -3.380  -5.307  -8.977
  542    HB   VAL  70           HB       VAL  70  -4.632  -3.379 -10.980
  543   1HG1  VAL  70          1HG1      VAL  70  -5.831  -5.638  -9.361
  544   2HG1  VAL  70          2HG1      VAL  70  -6.790  -4.293 -10.022
  545   3HG1  VAL  70          3HG1      VAL  70  -5.904  -5.366 -11.107
  546   1HG2  VAL  70          3HG2      VAL  70  -4.651  -3.507  -7.928
  547   2HG2  VAL  70          1HG2      VAL  70  -4.029  -2.198  -8.928
  548   3HG2  VAL  70          2HG2      VAL  70  -5.766  -2.509  -8.881
  549    H    LYS  71           H        LYS  71  -2.431  -4.425 -12.304
  550    HA   LYS  71           HA       LYS  71  -3.203  -6.789 -13.616
  551   1HB   LYS  71          1HB       LYS  71  -2.385  -4.928 -14.843
  552   2HB   LYS  71          2HB       LYS  71  -0.832  -4.929 -13.999
  553   1HG   LYS  71          1HG       LYS  71  -0.200  -7.055 -14.977
  554   2HG   LYS  71          2HG       LYS  71  -1.754  -7.192 -15.813
  555   1HD   LYS  71          1HD       LYS  71   0.411  -5.065 -16.237
  556   2HD   LYS  71          2HD       LYS  71   0.069  -6.426 -17.308
  557   1HE   LYS  71          1HE       LYS  71  -1.729  -4.014 -16.785
  558   2HE   LYS  71          2HE       LYS  71  -0.869  -4.419 -18.271
  559   1HZ   LYS  71          3HZ       LYS  71  -2.224  -6.384 -18.454
  560   2HZ   LYS  71          1HZ       LYS  71  -3.048  -5.984 -17.083
  561   3HZ   LYS  71          2HZ       LYS  71  -3.151  -5.022 -18.415
  562    H    LYS  72           H        LYS  72  -0.076  -6.176 -12.029
  563    HA   LYS  72           HA       LYS  72   0.925  -8.830 -12.314
  564   1HB   LYS  72          1HB       LYS  72   1.607  -6.625 -10.330
  565   2HB   LYS  72          2HB       LYS  72   2.281  -8.247 -10.201
  566   1HG   LYS  72          1HG       LYS  72   3.899  -7.060 -11.355
  567   2HG   LYS  72          2HG       LYS  72   3.117  -8.072 -12.574
  568   1HD   LYS  72          1HD       LYS  72   1.785  -6.074 -13.315
  569   2HD   LYS  72          2HD       LYS  72   2.584  -5.112 -12.052
  570   1HE   LYS  72          1HE       LYS  72   4.788  -5.556 -13.121
  571   2HE   LYS  72          2HE       LYS  72   3.975  -6.489 -14.394
  572   1HZ   LYS  72          3HZ       LYS  72   2.784  -4.503 -14.988
  573   2HZ   LYS  72          1HZ       LYS  72   3.545  -3.644 -13.808
  574   3HZ   LYS  72          2HZ       LYS  72   4.411  -4.249 -15.071
  575    H    ILE  73           H        ILE  73  -1.008  -7.387  -9.712
  576    HA   ILE  73           HA       ILE  73  -1.059  -9.697  -8.016
  577    HB   ILE  73           HB       ILE  73  -3.197  -7.556  -8.348
  578   1HG1  ILE  73          1HG1      ILE  73  -0.891  -7.866  -6.363
  579   2HG1  ILE  73          2HG1      ILE  73  -0.999  -6.673  -7.660
  580   1HG2  ILE  73          3HG2      ILE  73  -4.110  -9.618  -7.289
  581   2HG2  ILE  73          1HG2      ILE  73  -2.802  -9.560  -6.087
  582   3HG2  ILE  73          2HG2      ILE  73  -4.036  -8.283  -6.158
  583   1HD1  ILE  73          3HD1      ILE  73  -3.046  -5.716  -6.569
  584   2HD1  ILE  73          1HD1      ILE  73  -2.719  -6.777  -5.174
  585   3HD1  ILE  73          2HD1      ILE  73  -1.543  -5.551  -5.640
  586    H    SER  74           H        SER  74  -3.171  -8.699 -10.670
  587    HA   SER  74           HA       SER  74  -4.709 -11.197 -10.715
  588   1HB   SER  74          1HB       SER  74  -4.544  -8.991 -12.811
  589   2HB   SER  74          2HB       SER  74  -5.836 -10.183 -12.587
  590    HG   SER  74           HG       SER  74  -5.090  -8.036 -10.872
  591    H    GLN  75           H        GLN  75  -2.096 -11.931 -10.741
  592    HA   GLN  75           HA       GLN  75  -0.329 -12.783 -11.837
  593   1HB   GLN  75          1HB       GLN  75  -2.086 -14.413 -12.489
  594   2HB   GLN  75          2HB       GLN  75  -2.345 -13.556 -14.009
  595   1HG   GLN  75          1HG       GLN  75   0.484 -14.406 -13.375
  596   2HG   GLN  75          2HG       GLN  75  -0.693 -15.679 -13.684
  597   1HE2  GLN  75          1HE2      GLN  75   0.450 -13.297 -16.823
  598   2HE2  GLN  75          2HE2      GLN  75   0.771 -12.750 -15.181
   
  No H/Q in entry =         598
  Start of MODEL          21
 Raw file had  599 H/Q atoms
  Start of MODEL   21
    1   1H    LYS   1          2H        LYS   1  -6.801 -10.131  -4.171
    2   2H    LYS   1          3H        LYS   1  -7.321 -10.382  -2.591
    3   3H    LYS   1          1H        LYS   1  -8.196 -11.023  -3.876
    4    HA   LYS   1           HA       LYS   1  -9.300  -9.121  -2.998
    5   1HB   LYS   1          1HB       LYS   1  -6.631  -7.807  -3.697
    6   2HB   LYS   1          2HB       LYS   1  -8.124  -6.913  -3.459
    7   1HG   LYS   1          1HG       LYS   1  -6.837  -6.757  -1.469
    8   2HG   LYS   1          2HG       LYS   1  -8.277  -7.722  -1.112
    9   1HD   LYS   1          1HD       LYS   1  -7.058  -9.710  -0.894
   10   2HD   LYS   1          2HD       LYS   1  -5.742  -9.135  -1.916
   11   1HE   LYS   1          1HE       LYS   1  -5.015  -9.265   0.440
   12   2HE   LYS   1          2HE       LYS   1  -4.931  -7.620  -0.191
   13   1HZ   LYS   1          3HZ       LYS   1  -7.033  -7.177   0.892
   14   2HZ   LYS   1          1HZ       LYS   1  -7.050  -8.698   1.530
   15   3HZ   LYS   1          2HZ       LYS   1  -5.869  -7.628   1.965
   16    H    SER   2           H        SER   2 -10.699  -8.199  -4.518
   17    HA   SER   2           HA       SER   2  -9.984  -8.437  -7.393
   18   1HB   SER   2          1HB       SER   2 -12.285  -8.254  -7.854
   19   2HB   SER   2          2HB       SER   2 -12.245  -9.227  -6.394
   20    HG   SER   2           HG       SER   2 -12.896  -7.498  -5.217
   21    HA   PRO   3           HA       PRO   3  -9.153  -4.112  -8.040
   22   1HB   PRO   3          1HB       PRO   3 -11.831  -3.840  -9.413
   23   2HB   PRO   3          2HB       PRO   3 -10.254  -3.140  -9.888
   24   1HG   PRO   3          1HG       PRO   3 -11.090  -5.402 -11.099
   25   2HG   PRO   3          2HG       PRO   3  -9.410  -5.328 -10.491
   26   1HD   PRO   3          1HD       PRO   3 -11.818  -6.576  -9.181
   27   2HD   PRO   3          2HD       PRO   3 -10.177  -7.271  -9.380
   28    H    GLU   4           H        GLU   4 -12.504  -4.788  -6.948
   29    HA   GLU   4           HA       GLU   4 -12.994  -2.232  -5.794
   30   1HB   GLU   4          1HB       GLU   4 -14.741  -3.905  -6.390
   31   2HB   GLU   4          2HB       GLU   4 -14.176  -4.958  -5.083
   32   1HG   GLU   4          1HG       GLU   4 -14.767  -3.211  -3.419
   33   2HG   GLU   4          2HG       GLU   4 -15.282  -2.134  -4.729
   34    H    GLU   5           H        GLU   5 -11.468  -5.169  -4.507
   35    HA   GLU   5           HA       GLU   5 -11.435  -4.058  -1.767
   36   1HB   GLU   5          1HB       GLU   5 -10.170  -6.554  -2.935
   37   2HB   GLU   5          2HB       GLU   5  -9.920  -5.973  -1.278
   38   1HG   GLU   5          1HG       GLU   5 -11.616  -7.606  -1.109
   39   2HG   GLU   5          2HG       GLU   5 -12.451  -6.055  -0.963
   40    H    LEU   6           H        LEU   6  -9.275  -4.493  -4.553
   41    HA   LEU   6           HA       LEU   6  -6.963  -3.342  -3.394
   42   1HB   LEU   6          1HB       LEU   6  -7.961  -3.552  -6.240
   43   2HB   LEU   6          2HB       LEU   6  -6.484  -2.730  -5.852
   44    HG   LEU   6           HG       LEU   6  -6.924  -5.413  -4.566
   45   1HD1  LEU   6          3HD1      LEU   6  -7.516  -5.869  -6.942
   46   2HD1  LEU   6          1HD1      LEU   6  -5.877  -5.357  -7.392
   47   3HD1  LEU   6          2HD1      LEU   6  -6.105  -6.744  -6.320
   48   1HD2  LEU   6          3HD2      LEU   6  -4.467  -4.057  -5.786
   49   2HD2  LEU   6          1HD2      LEU   6  -4.870  -4.099  -4.055
   50   3HD2  LEU   6          2HD2      LEU   6  -4.455  -5.592  -4.919
   51    H    LYS   7           H        LYS   7  -9.757  -1.713  -4.951
   52    HA   LYS   7           HA       LYS   7  -8.759   0.926  -4.542
   53   1HB   LYS   7          1HB       LYS   7 -10.749   0.360  -5.938
   54   2HB   LYS   7          2HB       LYS   7 -11.648  -0.069  -4.501
   55   1HG   LYS   7          1HG       LYS   7 -12.286   2.121  -5.301
   56   2HG   LYS   7          2HG       LYS   7 -11.618   2.215  -3.671
   57   1HD   LYS   7          1HD       LYS   7  -9.471   3.058  -4.551
   58   2HD   LYS   7          2HD       LYS   7 -10.048   2.861  -6.214
   59   1HE   LYS   7          1HE       LYS   7 -11.292   4.728  -4.144
   60   2HE   LYS   7          2HE       LYS   7 -10.123   5.209  -5.384
   61   1HZ   LYS   7          3HZ       LYS   7 -11.679   4.489  -7.048
   62   2HZ   LYS   7          1HZ       LYS   7 -12.784   4.085  -5.892
   63   3HZ   LYS   7          2HZ       LYS   7 -12.331   5.656  -6.083
   64    H    GLY   8           H        GLY   8 -10.902  -1.015  -2.491
   65   1HA   GLY   8          1HA       GLY   8 -11.194   0.738  -0.308
   66   2HA   GLY   8          2HA       GLY   8 -11.133  -1.029  -0.154
   67    H    ILE   9           H        ILE   9  -8.647  -1.642  -0.854
   68    HA   ILE   9           HA       ILE   9  -6.958  -1.203   1.378
   69    HB   ILE   9           HB       ILE   9  -6.559  -2.288  -1.404
   70   1HG1  ILE   9          1HG1      ILE   9  -8.095  -3.339   0.483
   71   2HG1  ILE   9          2HG1      ILE   9  -7.091  -4.348  -0.567
   72   1HG2  ILE   9          1HG2      ILE   9  -4.563  -2.284   0.861
   73   2HG2  ILE   9          2HG2      ILE   9  -4.479  -3.361  -0.553
   74   3HG2  ILE   9          3HG2      ILE   9  -4.375  -1.612  -0.765
   75   1HD1  ILE   9          1HD1      ILE   9  -6.245  -3.435   2.213
   76   2HD1  ILE   9          2HD1      ILE   9  -7.089  -4.957   1.868
   77   3HD1  ILE   9          3HD1      ILE   9  -5.494  -4.676   1.166
   78    H    PHE  10           H        PHE  10  -6.763   0.054  -2.016
   79    HA   PHE  10           HA       PHE  10  -4.528   1.683  -1.775
   80   1HB   PHE  10          1HB       PHE  10  -5.784   1.213  -3.884
   81   2HB   PHE  10          2HB       PHE  10  -7.096   2.205  -3.328
   82    HD1  PHE  10           HD1      PHE  10  -6.887   4.677  -3.106
   83    HD2  PHE  10           HD2      PHE  10  -3.737   2.222  -4.746
   84    HE1  PHE  10           HE1      PHE  10  -5.857   6.670  -4.113
   85    HE2  PHE  10           HE2      PHE  10  -2.676   4.257  -5.717
   86    HZ   PHE  10           HZ       PHE  10  -3.753   6.458  -5.423
   87    H    GLU  11           H        GLU  11  -7.950   2.493  -1.077
   88    HA   GLU  11           HA       GLU  11  -7.469   5.179  -0.205
   89   1HB   GLU  11          1HB       GLU  11  -9.727   3.230   0.410
   90   2HB   GLU  11          2HB       GLU  11  -9.725   4.937   0.877
   91   1HG   GLU  11          1HG       GLU  11  -9.589   5.649  -1.452
   92   2HG   GLU  11          2HG       GLU  11  -9.445   3.979  -2.010
   93    H    LYS  12           H        LYS  12  -7.913   2.140   1.669
   94    HA   LYS  12           HA       LYS  12  -7.620   3.037   4.259
   95   1HB   LYS  12          1HB       LYS  12  -8.133   0.772   3.911
   96   2HB   LYS  12          2HB       LYS  12  -6.721   0.486   2.892
   97   1HG   LYS  12          1HG       LYS  12  -5.192   0.548   4.678
   98   2HG   LYS  12          2HG       LYS  12  -6.435   1.155   5.816
   99   1HD   LYS  12          1HD       LYS  12  -7.691  -1.007   5.502
  100   2HD   LYS  12          2HD       LYS  12  -6.422  -1.557   4.398
  101   1HE   LYS  12          1HE       LYS  12  -6.029  -2.548   6.573
  102   2HE   LYS  12          2HE       LYS  12  -4.750  -1.363   6.268
  103   1HZ   LYS  12          1HZ       LYS  12  -7.141  -0.905   7.911
  104   2HZ   LYS  12          2HZ       LYS  12  -5.624  -1.208   8.477
  105   3HZ   LYS  12          3HZ       LYS  12  -5.929   0.182   7.648
  106    H    TYR  13           H        TYR  13  -4.907   2.151   2.064
  107    HA   TYR  13           HA       TYR  13  -2.953   2.978   4.097
  108   1HB   TYR  13          1HB       TYR  13  -2.685   1.967   1.288
  109   2HB   TYR  13          2HB       TYR  13  -1.316   2.473   2.279
  110    HD1  TYR  13           HD1      TYR  13  -0.928   1.421   4.514
  111    HD2  TYR  13           HD2      TYR  13  -3.923  -0.123   1.900
  112    HE1  TYR  13           HE1      TYR  13  -0.956  -0.744   5.793
  113    HE2  TYR  13           HE2      TYR  13  -4.055  -2.186   3.171
  114    HH   TYR  13           HH       TYR  13  -3.270  -3.349   5.059
  115    H    ALA  14           H        ALA  14  -4.072   4.318   0.997
  116    HA   ALA  14           HA       ALA  14  -2.350   6.560   0.840
  117   1HB   ALA  14          3HB       ALA  14  -3.748   5.666  -1.005
  118   2HB   ALA  14          1HB       ALA  14  -5.198   6.275  -0.181
  119   3HB   ALA  14          2HB       ALA  14  -3.959   7.387  -0.787
  120    H    ALA  15           H        ALA  15  -5.340   6.119   2.648
  121    HA   ALA  15           HA       ALA  15  -5.740   8.832   3.396
  122   1HB   ALA  15          3HB       ALA  15  -7.470   7.117   3.629
  123   2HB   ALA  15          1HB       ALA  15  -6.493   6.263   4.847
  124   3HB   ALA  15          2HB       ALA  15  -7.140   7.879   5.197
  125    H    LYS  16           H        LYS  16  -3.363   6.451   4.593
  126    HA   LYS  16           HA       LYS  16  -3.287   7.409   7.275
  127   1HB   LYS  16          1HB       LYS  16  -1.168   5.908   5.683
  128   2HB   LYS  16          2HB       LYS  16  -1.142   6.191   7.432
  129   1HG   LYS  16          1HG       LYS  16  -3.345   5.029   7.646
  130   2HG   LYS  16          2HG       LYS  16  -3.294   4.658   5.917
  131   1HD   LYS  16          1HD       LYS  16  -1.167   3.410   6.246
  132   2HD   LYS  16          2HD       LYS  16  -1.226   3.782   7.982
  133   1HE   LYS  16          1HE       LYS  16  -3.437   2.598   8.131
  134   2HE   LYS  16          2HE       LYS  16  -3.296   2.163   6.419
  135   1HZ   LYS  16          3HZ       LYS  16  -1.267   1.000   6.977
  136   2HZ   LYS  16          1HZ       LYS  16  -1.457   1.373   8.570
  137   3HZ   LYS  16          2HZ       LYS  16  -2.553   0.401   7.814
  138    H    GLU  17           H        GLU  17  -1.121   8.180   4.497
  139    HA   GLU  17           HA       GLU  17   0.339  10.181   6.036
  140   1HB   GLU  17          1HB       GLU  17   1.175   8.842   4.045
  141   2HB   GLU  17          2HB       GLU  17   0.189   9.912   3.016
  142   1HG   GLU  17          1HG       GLU  17   1.496  11.850   3.756
  143   2HG   GLU  17          2HG       GLU  17   2.372  10.854   4.932
  144    H    GLY  18           H        GLY  18  -2.633  10.033   4.265
  145   1HA   GLY  18          1HA       GLY  18  -4.367  11.590   4.601
  146   2HA   GLY  18          2HA       GLY  18  -3.203  12.890   4.868
  147    H    ASP  19           H        ASP  19  -3.001  10.532   2.172
  148    HA   ASP  19           HA       ASP  19  -3.922  12.618   0.243
  149   1HB   ASP  19          1HB       ASP  19  -1.446  12.443   0.364
  150   2HB   ASP  19          2HB       ASP  19  -1.553  10.743  -0.088
  151    HA   PRO  20           HA       PRO  20  -6.082   8.420   0.426
  152   1HB   PRO  20          1HB       PRO  20  -8.601   9.371  -0.335
  153   2HB   PRO  20          2HB       PRO  20  -8.005   9.157   1.336
  154   1HG   PRO  20          1HG       PRO  20  -8.000  11.672  -0.346
  155   2HG   PRO  20          2HG       PRO  20  -8.489  11.494   1.367
  156   1HD   PRO  20          1HD       PRO  20  -6.066  12.447   0.755
  157   2HD   PRO  20          2HD       PRO  20  -6.204  11.233   2.058
  158    H    ASN  21           H        ASN  21  -5.953  10.896  -2.083
  159    HA   ASN  21           HA       ASN  21  -6.968   9.229  -4.225
  160   1HB   ASN  21          1HB       ASN  21  -5.489  11.894  -4.221
  161   2HB   ASN  21          2HB       ASN  21  -6.290  11.151  -5.606
  162   1HD2  ASN  21          1HD2      ASN  21  -8.461  13.367  -3.047
  163   2HD2  ASN  21          2HD2      ASN  21  -6.709  13.300  -2.989
  164    H    GLN  22           H        GLN  22  -3.787   9.590  -2.712
  165    HA   GLN  22           HA       GLN  22  -2.504   8.140  -4.922
  166   1HB   GLN  22          1HB       GLN  22  -2.448  10.251  -5.881
  167   2HB   GLN  22          2HB       GLN  22  -2.064  11.069  -4.363
  168   1HG   GLN  22          1HG       GLN  22   0.136  10.345  -4.351
  169   2HG   GLN  22          2HG       GLN  22  -0.169   9.012  -5.481
  170   1HE2  GLN  22          1HE2      GLN  22   0.894  12.638  -6.968
  171   2HE2  GLN  22          2HE2      GLN  22   0.632  12.421  -5.238
  172    H    LEU  23           H        LEU  23  -1.063   6.726  -4.179
  173    HA   LEU  23           HA       LEU  23  -0.412   6.690  -1.352
  174   1HB   LEU  23          1HB       LEU  23   0.381   4.901  -3.664
  175   2HB   LEU  23          2HB       LEU  23   0.801   4.635  -1.994
  176    HG   LEU  23           HG       LEU  23  -2.117   4.873  -2.781
  177   1HD1  LEU  23          1HD1      LEU  23  -0.380   2.377  -2.755
  178   2HD1  LEU  23          2HD1      LEU  23  -2.136   2.400  -2.951
  179   3HD1  LEU  23          3HD1      LEU  23  -1.091   3.117  -4.203
  180   1HD2  LEU  23          1HD2      LEU  23  -1.430   4.913  -0.346
  181   2HD2  LEU  23          2HD2      LEU  23  -2.436   3.515  -0.765
  182   3HD2  LEU  23          3HD2      LEU  23  -0.686   3.319  -0.565
  183    H    SER  24           H        SER  24   1.566   7.125  -0.423
  184    HA   SER  24           HA       SER  24   3.855   8.050  -2.032
  185   1HB   SER  24          1HB       SER  24   4.835   8.524   0.146
  186   2HB   SER  24          2HB       SER  24   3.171   9.122   0.127
  187    HG   SER  24           HG       SER  24   3.575   7.969   2.018
  188    H    LYS  25           H        LYS  25   6.062   6.999  -1.312
  189    HA   LYS  25           HA       LYS  25   6.138   4.227  -1.915
  190   1HB   LYS  25          1HB       LYS  25   8.085   6.050  -0.391
  191   2HB   LYS  25          2HB       LYS  25   8.417   4.345  -0.720
  192   1HG   LYS  25          1HG       LYS  25   8.186   4.755  -3.150
  193   2HG   LYS  25          2HG       LYS  25   8.015   6.493  -2.815
  194   1HD   LYS  25          1HD       LYS  25  10.256   6.500  -1.751
  195   2HD   LYS  25          2HD       LYS  25  10.412   4.756  -2.055
  196   1HE   LYS  25          1HE       LYS  25  10.227   5.161  -4.506
  197   2HE   LYS  25          2HE       LYS  25  10.082   6.902  -4.202
  198   1HZ   LYS  25          3HZ       LYS  25  12.268   6.831  -3.218
  199   2HZ   LYS  25          1HZ       LYS  25  12.410   5.222  -3.560
  200   3HZ   LYS  25          2HZ       LYS  25  12.290   6.315  -4.782
  201    H    GLU  26           H        GLU  26   5.964   5.919   1.207
  202    HA   GLU  26           HA       GLU  26   6.463   3.574   2.783
  203   1HB   GLU  26          1HB       GLU  26   5.004   6.206   3.485
  204   2HB   GLU  26          2HB       GLU  26   5.557   4.987   4.636
  205   1HG   GLU  26          1HG       GLU  26   7.163   6.670   4.662
  206   2HG   GLU  26          2HG       GLU  26   7.887   5.305   3.794
  207    H    GLU  27           H        GLU  27   3.546   5.335   1.950
  208    HA   GLU  27           HA       GLU  27   1.665   3.533   3.108
  209   1HB   GLU  27          1HB       GLU  27   1.422   5.249   0.620
  210   2HB   GLU  27          2HB       GLU  27   0.069   4.408   1.409
  211   1HG   GLU  27          1HG       GLU  27   0.386   5.595   3.484
  212   2HG   GLU  27          2HG       GLU  27   1.844   6.399   2.896
  213    H    LEU  28           H        LEU  28   3.072   3.457  -0.287
  214    HA   LEU  28           HA       LEU  28   1.944   0.931  -0.876
  215   1HB   LEU  28          1HB       LEU  28   4.386   2.414  -1.864
  216   2HB   LEU  28          2HB       LEU  28   4.100   0.750  -2.406
  217    HG   LEU  28           HG       LEU  28   1.886   2.738  -2.387
  218   1HD1  LEU  28          3HD1      LEU  28   3.619   3.868  -3.635
  219   2HD1  LEU  28          1HD1      LEU  28   3.876   2.415  -4.653
  220   3HD1  LEU  28          2HD1      LEU  28   2.347   3.319  -4.739
  221   1HD2  LEU  28          3HD2      LEU  28   2.519   0.318  -4.177
  222   2HD2  LEU  28          1HD2      LEU  28   1.303   0.337  -2.891
  223   3HD2  LEU  28          2HD2      LEU  28   1.071   1.320  -4.342
  224    H    LYS  29           H        LYS  29   4.923   1.616   0.924
  225    HA   LYS  29           HA       LYS  29   5.788  -1.110   0.839
  226   1HB   LYS  29          1HB       LYS  29   7.077   0.983   1.547
  227   2HB   LYS  29          2HB       LYS  29   6.190   0.982   3.043
  228   1HG   LYS  29          1HG       LYS  29   7.162  -1.286   3.609
  229   2HG   LYS  29          2HG       LYS  29   7.985  -1.266   2.045
  230   1HD   LYS  29          1HD       LYS  29   9.695  -0.561   3.395
  231   2HD   LYS  29          2HD       LYS  29   9.041   1.000   2.890
  232   1HE   LYS  29          1HE       LYS  29   8.404  -0.427   5.528
  233   2HE   LYS  29          2HE       LYS  29   9.614   0.845   5.323
  234   1HZ   LYS  29          3HZ       LYS  29   7.855   2.315   4.616
  235   2HZ   LYS  29          1HZ       LYS  29   6.733   1.144   4.912
  236   3HZ   LYS  29          2HZ       LYS  29   7.624   1.755   6.150
  237    H    LEU  30           H        LEU  30   3.945   0.688   3.270
  238    HA   LEU  30           HA       LEU  30   3.436  -1.589   4.944
  239   1HB   LEU  30          1HB       LEU  30   2.152   1.136   4.605
  240   2HB   LEU  30          2HB       LEU  30   1.276  -0.083   5.518
  241    HG   LEU  30           HG       LEU  30   2.582   1.442   6.932
  242   1HD1  LEU  30          3HD1      LEU  30   1.925  -0.821   7.705
  243   2HD1  LEU  30          1HD1      LEU  30   3.494  -1.457   7.171
  244   3HD1  LEU  30          2HD1      LEU  30   3.422  -0.241   8.453
  245   1HD2  LEU  30          1HD2      LEU  30   4.574   1.743   5.506
  246   2HD2  LEU  30          2HD2      LEU  30   5.000   1.225   7.144
  247   3HD2  LEU  30          3HD2      LEU  30   5.053   0.055   5.813
  248    H    LEU  31           H        LEU  31   1.489  -0.206   2.332
  249    HA   LEU  31           HA       LEU  31  -0.647  -2.021   2.336
  250   1HB   LEU  31          1HB       LEU  31  -0.422   0.028   0.986
  251   2HB   LEU  31          2HB       LEU  31   0.751  -0.757  -0.055
  252    HG   LEU  31           HG       LEU  31  -2.059  -1.847   0.278
  253   1HD1  LEU  31          1HD1      LEU  31  -1.043   0.296  -1.645
  254   2HD1  LEU  31          2HD1      LEU  31  -2.599  -0.532  -1.819
  255   3HD1  LEU  31          3HD1      LEU  31  -2.302   0.491  -0.408
  256   1HD2  LEU  31          3HD2      LEU  31   0.018  -2.018  -1.973
  257   2HD2  LEU  31          1HD2      LEU  31  -0.471  -3.342  -0.901
  258   3HD2  LEU  31          2HD2      LEU  31  -1.625  -2.680  -2.055
  259    H    LEU  32           H        LEU  32   2.421  -2.262   0.570
  260    HA   LEU  32           HA       LEU  32   1.991  -4.832  -0.574
  261   1HB   LEU  32          1HB       LEU  32   4.530  -3.338   0.182
  262   2HB   LEU  32          2HB       LEU  32   4.570  -4.906  -0.618
  263    HG   LEU  32           HG       LEU  32   3.024  -2.593  -1.838
  264   1HD1  LEU  32          1HD1      LEU  32   5.963  -3.308  -2.265
  265   2HD1  LEU  32          2HD1      LEU  32   5.033  -2.121  -3.205
  266   3HD1  LEU  32          3HD1      LEU  32   5.359  -1.830  -1.491
  267   1HD2  LEU  32          3HD2      LEU  32   4.337  -5.088  -2.990
  268   2HD2  LEU  32          1HD2      LEU  32   2.591  -4.858  -2.746
  269   3HD2  LEU  32          2HD2      LEU  32   3.460  -3.849  -3.913
  270    H    GLN  33           H        GLN  33   3.864  -3.968   2.377
  271    HA   GLN  33           HA       GLN  33   4.554  -6.596   3.045
  272   1HB   GLN  33          1HB       GLN  33   5.603  -4.552   3.944
  273   2HB   GLN  33          2HB       GLN  33   4.136  -4.180   4.863
  274   1HG   GLN  33          1HG       GLN  33   4.419  -6.200   6.222
  275   2HG   GLN  33          2HG       GLN  33   5.805  -6.707   5.245
  276   1HE2  GLN  33          1HE2      GLN  33   8.012  -4.200   6.652
  277   2HE2  GLN  33          2HE2      GLN  33   7.666  -5.019   5.137
  278    H    THR  34           H        THR  34   1.759  -4.690   4.097
  279    HA   THR  34           HA       THR  34   0.875  -6.745   5.928
  280    HB   THR  34           HB       THR  34  -0.694  -4.352   4.912
  281    HG1  THR  34           HG1      THR  34   1.194  -3.569   5.665
  282   1HG2  THR  34          1HG2      THR  34  -0.771  -5.932   7.528
  283   2HG2  THR  34          2HG2      THR  34  -1.708  -4.467   7.185
  284   3HG2  THR  34          3HG2      THR  34  -2.024  -5.950   6.267
  285    H    GLU  35           H        GLU  35  -0.228  -5.670   2.634
  286    HA   GLU  35           HA       GLU  35  -2.439  -7.602   2.775
  287   1HB   GLU  35          1HB       GLU  35  -1.784  -5.388   0.792
  288   2HB   GLU  35          2HB       GLU  35  -3.266  -6.313   0.881
  289   1HG   GLU  35          1HG       GLU  35  -2.168  -4.415   3.016
  290   2HG   GLU  35          2HG       GLU  35  -3.441  -4.056   1.871
  291    H    PHE  36           H        PHE  36   0.590  -7.081   1.029
  292    HA   PHE  36           HA       PHE  36   0.121  -9.599  -0.484
  293   1HB   PHE  36          1HB       PHE  36   1.081  -7.040  -1.789
  294   2HB   PHE  36          2HB       PHE  36   0.776  -8.592  -2.553
  295    HD1  PHE  36           HD1      PHE  36  -1.636  -9.442  -2.752
  296    HD2  PHE  36           HD2      PHE  36  -0.671  -5.469  -1.421
  297    HE1  PHE  36           HE1      PHE  36  -3.940  -8.680  -3.322
  298    HE2  PHE  36           HE2      PHE  36  -3.011  -4.750  -1.863
  299    HZ   PHE  36           HZ       PHE  36  -4.667  -6.392  -2.717
  300    HA   PRO  37           HA       PRO  37   4.405  -9.148   1.364
  301   1HB   PRO  37          1HB       PRO  37   4.434 -11.521   2.744
  302   2HB   PRO  37          2HB       PRO  37   3.822  -9.984   3.415
  303   1HG   PRO  37          1HG       PRO  37   2.208 -12.217   2.162
  304   2HG   PRO  37          2HG       PRO  37   1.896 -11.362   3.703
  305   1HD   PRO  37          1HD       PRO  37   0.621 -10.692   1.405
  306   2HD   PRO  37          2HD       PRO  37   1.110  -9.424   2.555
  307    H    SER  38           H        SER  38   2.469 -11.432  -0.442
  308    HA   SER  38           HA       SER  38   4.325 -13.279  -1.514
  309   1HB   SER  38          1HB       SER  38   2.483 -13.058  -3.390
  310   2HB   SER  38          2HB       SER  38   2.006 -13.674  -1.795
  311    HG   SER  38           HG       SER  38   0.603 -11.989  -2.512
  312    H    LEU  39           H        LEU  39   3.017 -10.168  -2.661
  313    HA   LEU  39           HA       LEU  39   4.885  -9.899  -4.851
  314   1HB   LEU  39          1HB       LEU  39   3.005  -7.991  -3.442
  315   2HB   LEU  39          2HB       LEU  39   4.048  -7.470  -4.777
  316    HG   LEU  39           HG       LEU  39   1.876  -9.600  -4.940
  317   1HD1  LEU  39          1HD1      LEU  39   2.133  -6.783  -6.094
  318   2HD1  LEU  39          2HD1      LEU  39   0.795  -7.890  -6.420
  319   3HD1  LEU  39          3HD1      LEU  39   1.041  -7.264  -4.775
  320   1HD2  LEU  39          3HD2      LEU  39   3.787  -8.533  -7.070
  321   2HD2  LEU  39          1HD2      LEU  39   3.586 -10.226  -6.558
  322   3HD2  LEU  39          2HD2      LEU  39   2.292  -9.418  -7.434
  323    H    LEU  40           H        LEU  40   4.810  -8.638  -1.535
  324    HA   LEU  40           HA       LEU  40   6.984  -6.884  -1.728
  325   1HB   LEU  40          1HB       LEU  40   5.542  -7.292   0.349
  326   2HB   LEU  40          2HB       LEU  40   6.550  -8.719   0.643
  327    HG   LEU  40           HG       LEU  40   8.568  -7.014   0.470
  328   1HD1  LEU  40          3HD1      LEU  40   7.179  -5.072  -0.257
  329   2HD1  LEU  40          1HD1      LEU  40   6.285  -5.159   1.277
  330   3HD1  LEU  40          2HD1      LEU  40   8.015  -4.767   1.273
  331   1HD2  LEU  40          3HD2      LEU  40   6.729  -7.118   2.884
  332   2HD2  LEU  40          1HD2      LEU  40   8.008  -8.279   2.478
  333   3HD2  LEU  40          2HD2      LEU  40   8.428  -6.607   2.885
  334    H    LYS  41           H        LYS  41   7.084 -10.385  -1.072
  335    HA   LYS  41           HA       LYS  41   9.987 -10.555  -1.246
  336   1HB   LYS  41          1HB       LYS  41   7.757 -12.625  -1.343
  337   2HB   LYS  41          2HB       LYS  41   9.486 -12.999  -1.330
  338   1HG   LYS  41          1HG       LYS  41   9.702 -11.732   0.831
  339   2HG   LYS  41          2HG       LYS  41   7.952 -11.532   0.865
  340   1HD   LYS  41          1HD       LYS  41   9.511 -14.164   0.908
  341   2HD   LYS  41          2HD       LYS  41   8.678 -13.422   2.276
  342   1HE   LYS  41          1HE       LYS  41   7.372 -14.578  -0.235
  343   2HE   LYS  41          2HE       LYS  41   7.347 -15.262   1.391
  344   1HZ   LYS  41          3HZ       LYS  41   6.138 -13.337   2.126
  345   2HZ   LYS  41          1HZ       LYS  41   6.141 -12.700   0.604
  346   3HZ   LYS  41          2HZ       LYS  41   5.336 -14.106   0.909
  347    H    GLY  42           H        GLY  42   7.393 -11.803  -3.324
  348   1HA   GLY  42          1HA       GLY  42   9.177 -12.327  -5.573
  349   2HA   GLY  42          2HA       GLY  42   7.427 -12.584  -5.485
  350    H    GLY  43           H        GLY  43   9.727  -9.842  -5.364
  351   1HA   GLY  43          1HA       GLY  43   8.408  -8.567  -7.695
  352   2HA   GLY  43          2HA       GLY  43   8.354  -7.681  -6.160
  353    H    SER  44           H        SER  44  10.123  -6.428  -5.667
  354    HA   SER  44           HA       SER  44  12.805  -7.004  -6.213
  355   1HB   SER  44          1HB       SER  44  12.188  -6.461  -8.592
  356   2HB   SER  44          2HB       SER  44  11.587  -4.881  -8.049
  357    HG   SER  44           HG       SER  44  13.812  -4.889  -8.828
  358    H    THR  45           H        THR  45  13.607  -4.221  -6.275
  359    HA   THR  45           HA       THR  45  13.194  -3.557  -3.509
  360    HB   THR  45           HB       THR  45  14.276  -1.430  -3.974
  361    HG1  THR  45           HG1      THR  45  14.634  -2.004  -6.661
  362   1HG2  THR  45          3HG2      THR  45  15.709  -3.427  -3.749
  363   2HG2  THR  45          1HG2      THR  45  15.640  -3.700  -5.500
  364   3HG2  THR  45          2HG2      THR  45  16.414  -2.239  -4.860
  365    H    LEU  46           H        LEU  46  11.881  -2.046  -2.518
  366    HA   LEU  46           HA       LEU  46   9.326  -1.450  -3.464
  367   1HB   LEU  46          1HB       LEU  46   9.989  -1.187  -1.103
  368   2HB   LEU  46          2HB       LEU  46  11.189   0.033  -1.549
  369    HG   LEU  46           HG       LEU  46   9.363   1.584  -2.250
  370   1HD1  LEU  46          1HD1      LEU  46   7.542  -0.572  -1.071
  371   2HD1  LEU  46          2HD1      LEU  46   7.037   1.071  -1.516
  372   3HD1  LEU  46          3HD1      LEU  46   7.571  -0.053  -2.771
  373   1HD2  LEU  46          3HD2      LEU  46   9.243   0.489   0.576
  374   2HD2  LEU  46          1HD2      LEU  46  10.357   1.731  -0.032
  375   3HD2  LEU  46          2HD2      LEU  46   8.621   2.075   0.064
  376    H    ASP  47           H        ASP  47  12.319   0.420  -3.766
  377    HA   ASP  47           HA       ASP  47  11.355   2.665  -5.112
  378   1HB   ASP  47          1HB       ASP  47  14.007   1.199  -5.456
  379   2HB   ASP  47          2HB       ASP  47  13.664   2.856  -5.967
  380    H    GLU  48           H        GLU  48  12.732  -0.274  -6.631
  381    HA   GLU  48           HA       GLU  48  12.057   0.429  -9.283
  382   1HB   GLU  48          1HB       GLU  48  12.380  -2.261  -7.928
  383   2HB   GLU  48          2HB       GLU  48  12.002  -2.127  -9.652
  384   1HG   GLU  48          1HG       GLU  48  14.007  -0.964 -10.166
  385   2HG   GLU  48          2HG       GLU  48  14.350  -0.603  -8.471
  386    H    LEU  49           H        LEU  49  10.091  -1.403  -6.933
  387    HA   LEU  49           HA       LEU  49   7.859  -1.760  -8.693
  388   1HB   LEU  49          1HB       LEU  49   8.245  -1.811  -5.702
  389   2HB   LEU  49          2HB       LEU  49   6.601  -1.638  -6.321
  390    HG   LEU  49           HG       LEU  49   6.780  -3.671  -7.639
  391   1HD1  LEU  49          1HD1      LEU  49   9.544  -4.015  -6.403
  392   2HD1  LEU  49          2HD1      LEU  49   8.673  -5.220  -7.373
  393   3HD1  LEU  49          3HD1      LEU  49   9.211  -3.717  -8.125
  394   1HD2  LEU  49          1HD2      LEU  49   5.965  -3.777  -5.309
  395   2HD2  LEU  49          2HD2      LEU  49   6.812  -5.268  -5.756
  396   3HD2  LEU  49          3HD2      LEU  49   7.621  -4.063  -4.733
  397    H    PHE  50           H        PHE  50   8.626   0.900  -6.471
  398    HA   PHE  50           HA       PHE  50   6.220   2.352  -6.855
  399   1HB   PHE  50          1HB       PHE  50   7.897   2.705  -5.047
  400   2HB   PHE  50          2HB       PHE  50   9.011   3.384  -6.224
  401    HD1  PHE  50           HD1      PHE  50   5.697   3.811  -4.599
  402    HD2  PHE  50           HD2      PHE  50   8.740   5.721  -6.966
  403    HE1  PHE  50           HE1      PHE  50   4.851   6.027  -3.896
  404    HE2  PHE  50           HE2      PHE  50   8.114   7.911  -5.974
  405    HZ   PHE  50           HZ       PHE  50   6.259   8.017  -4.300
  406    H    GLU  51           H        GLU  51   9.406   2.589  -8.516
  407    HA   GLU  51           HA       GLU  51   8.644   4.628 -10.328
  408   1HB   GLU  51          1HB       GLU  51  10.724   2.404 -10.464
  409   2HB   GLU  51          2HB       GLU  51  10.412   3.454 -11.844
  410   1HG   GLU  51          1HG       GLU  51  12.230   4.454 -10.787
  411   2HG   GLU  51          2HG       GLU  51  10.850   5.473 -10.386
  412    H    GLU  52           H        GLU  52   8.488   1.088 -10.675
  413    HA   GLU  52           HA       GLU  52   7.375   0.985 -13.285
  414   1HB   GLU  52          1HB       GLU  52   6.990  -0.860 -10.897
  415   2HB   GLU  52          2HB       GLU  52   6.372  -1.218 -12.509
  416   1HG   GLU  52          1HG       GLU  52   8.562  -1.361 -13.453
  417   2HG   GLU  52          2HG       GLU  52   9.325  -0.670 -12.020
  418    H    LEU  53           H        LEU  53   5.739   1.217 -10.141
  419    HA   LEU  53           HA       LEU  53   3.081   1.157 -11.220
  420   1HB   LEU  53          1HB       LEU  53   4.230   2.091  -8.569
  421   2HB   LEU  53          2HB       LEU  53   2.512   2.007  -8.930
  422    HG   LEU  53           HG       LEU  53   4.341  -0.426  -9.049
  423   1HD1  LEU  53          3HD1      LEU  53   4.212   0.541  -6.762
  424   2HD1  LEU  53          1HD1      LEU  53   2.437   0.487  -6.855
  425   3HD1  LEU  53          2HD1      LEU  53   3.384  -1.020  -6.870
  426   1HD2  LEU  53          3HD2      LEU  53   1.319  -0.157  -9.110
  427   2HD2  LEU  53          1HD2      LEU  53   2.378  -0.754 -10.408
  428   3HD2  LEU  53          2HD2      LEU  53   2.228  -1.681  -8.926
  429    H    ASP  54           H        ASP  54   5.221   3.814 -10.290
  430    HA   ASP  54           HA       ASP  54   3.225   5.855 -10.608
  431   1HB   ASP  54          1HB       ASP  54   5.073   6.141  -9.061
  432   2HB   ASP  54          2HB       ASP  54   6.214   6.027 -10.385
  433    H    LYS  55           H        LYS  55   2.674   4.826 -12.854
  434    HA   LYS  55           HA       LYS  55   4.193   5.945 -15.116
  435   1HB   LYS  55          1HB       LYS  55   1.435   4.805 -15.024
  436   2HB   LYS  55          2HB       LYS  55   2.381   5.310 -16.442
  437   1HG   LYS  55          1HG       LYS  55   3.126   3.044 -14.512
  438   2HG   LYS  55          2HG       LYS  55   2.427   2.864 -16.127
  439   1HD   LYS  55          1HD       LYS  55   4.511   4.154 -16.998
  440   2HD   LYS  55          2HD       LYS  55   5.182   3.907 -15.373
  441   1HE   LYS  55          1HE       LYS  55   6.037   2.171 -16.784
  442   2HE   LYS  55          2HE       LYS  55   4.890   1.432 -15.658
  443   1HZ   LYS  55          1HZ       LYS  55   4.316   2.175 -18.444
  444   2HZ   LYS  55          2HZ       LYS  55   4.615   0.650 -17.895
  445   3HZ   LYS  55          3HZ       LYS  55   3.262   1.449 -17.405
  446    H    ASN  56           H        ASN  56   4.237   7.871 -14.019
  447    HA   ASN  56           HA       ASN  56   2.738   9.899 -15.329
  448   1HB   ASN  56          1HB       ASN  56   1.221  10.785 -13.815
  449   2HB   ASN  56          2HB       ASN  56   1.306   9.211 -13.039
  450   1HD2  ASN  56          1HD2      ASN  56   1.997  10.644 -10.181
  451   2HD2  ASN  56          2HD2      ASN  56   1.203   9.357 -11.020
  452    H    GLY  57           H        GLY  57   4.722   9.270 -12.405
  453   1HA   GLY  57          1HA       GLY  57   7.037   9.600 -12.425
  454   2HA   GLY  57          2HA       GLY  57   6.905  10.870 -13.638
  455    H    ASP  58           H        ASP  58   4.547  11.524 -11.222
  456    HA   ASP  58           HA       ASP  58   6.113  13.687 -10.190
  457   1HB   ASP  58          1HB       ASP  58   4.191  14.348  -9.074
  458   2HB   ASP  58          2HB       ASP  58   3.609  13.698 -10.595
  459    H    GLY  59           H        GLY  59   6.310  10.440  -9.345
  460   1HA   GLY  59          1HA       GLY  59   7.568   9.511  -7.692
  461   2HA   GLY  59          2HA       GLY  59   7.817  11.098  -6.952
  462    H    GLU  60           H        GLU  60   4.695   9.552  -7.745
  463    HA   GLU  60           HA       GLU  60   4.167   8.311  -5.223
  464   1HB   GLU  60          1HB       GLU  60   2.641  10.828  -5.971
  465   2HB   GLU  60          2HB       GLU  60   2.122   9.598  -4.783
  466   1HG   GLU  60          1HG       GLU  60   4.251  10.143  -3.494
  467   2HG   GLU  60          2HG       GLU  60   4.351  11.602  -4.506
  468    H    VAL  61           H        VAL  61   1.808   7.430  -5.401
  469    HA   VAL  61           HA       VAL  61   1.319   6.754  -8.290
  470    HB   VAL  61           HB       VAL  61   1.069   4.815  -5.991
  471   1HG1  VAL  61          3HG1      VAL  61  -0.041   4.381  -8.251
  472   2HG1  VAL  61          1HG1      VAL  61   1.608   4.376  -8.951
  473   3HG1  VAL  61          2HG1      VAL  61   1.127   3.171  -7.723
  474   1HG2  VAL  61          3HG2      VAL  61   3.494   5.390  -7.737
  475   2HG2  VAL  61          1HG2      VAL  61   3.418   5.442  -5.963
  476   3HG2  VAL  61          2HG2      VAL  61   3.291   3.898  -6.816
  477    H    SER  62           H        SER  62  -0.578   7.683  -8.844
  478    HA   SER  62           HA       SER  62  -2.893   7.839  -7.081
  479   1HB   SER  62          1HB       SER  62  -2.537   8.384 -10.052
  480   2HB   SER  62          2HB       SER  62  -4.020   8.682  -9.131
  481    HG   SER  62           HG       SER  62  -1.503   9.830  -8.464
  482    H    PHE  63           H        PHE  63  -5.014   6.876  -7.680
  483    HA   PHE  63           HA       PHE  63  -4.829   4.125  -7.655
  484   1HB   PHE  63          1HB       PHE  63  -6.745   5.370  -6.784
  485   2HB   PHE  63          2HB       PHE  63  -7.282   5.723  -8.429
  486    HD1  PHE  63           HD1      PHE  63  -6.362   2.834  -6.192
  487    HD2  PHE  63           HD2      PHE  63  -8.772   4.164  -9.510
  488    HE1  PHE  63           HE1      PHE  63  -7.448   0.618  -6.292
  489    HE2  PHE  63           HE2      PHE  63  -9.880   1.949  -9.579
  490    HZ   PHE  63           HZ       PHE  63  -9.236   0.174  -7.943
  491    H    GLU  64           H        GLU  64  -5.412   6.160 -10.521
  492    HA   GLU  64           HA       GLU  64  -6.161   4.042 -12.261
  493   1HB   GLU  64          1HB       GLU  64  -4.779   6.698 -12.902
  494   2HB   GLU  64          2HB       GLU  64  -5.520   5.611 -14.086
  495   1HG   GLU  64          1HG       GLU  64  -7.719   5.870 -12.986
  496   2HG   GLU  64          2HG       GLU  64  -7.014   6.961 -11.783
  497    H    GLU  65           H        GLU  65  -2.941   5.651 -11.976
  498    HA   GLU  65           HA       GLU  65  -1.595   3.697 -13.554
  499   1HB   GLU  65          1HB       GLU  65   0.461   4.692 -12.677
  500   2HB   GLU  65          2HB       GLU  65  -0.688   5.892 -13.270
  501   1HG   GLU  65          1HG       GLU  65  -1.443   6.253 -10.866
  502   2HG   GLU  65          2HG       GLU  65  -0.116   5.192 -10.365
  503    H    PHE  66           H        PHE  66  -2.225   3.826 -10.031
  504    HA   PHE  66           HA       PHE  66  -0.799   1.541  -9.175
  505   1HB   PHE  66          1HB       PHE  66  -1.866   2.923  -7.565
  506   2HB   PHE  66          2HB       PHE  66  -3.371   2.810  -8.455
  507    HD1  PHE  66           HD1      PHE  66  -1.150   0.813  -6.209
  508    HD2  PHE  66           HD2      PHE  66  -4.987   1.206  -8.089
  509    HE1  PHE  66           HE1      PHE  66  -2.094  -0.939  -4.693
  510    HE2  PHE  66           HE2      PHE  66  -5.795  -0.811  -6.922
  511    HZ   PHE  66           HZ       PHE  66  -4.416  -1.739  -5.021
  512    H    GLN  67           H        GLN  67  -3.659   1.674 -11.319
  513    HA   GLN  67           HA       GLN  67  -4.418  -1.032 -11.011
  514   1HB   GLN  67          1HB       GLN  67  -4.456   0.514 -13.627
  515   2HB   GLN  67          2HB       GLN  67  -5.246  -1.022 -13.297
  516   1HG   GLN  67          1HG       GLN  67  -6.018   1.671 -12.156
  517   2HG   GLN  67          2HG       GLN  67  -6.956   0.574 -13.157
  518   1HE2  GLN  67          1HE2      GLN  67  -6.800   0.188  -9.076
  519   2HE2  GLN  67          2HE2      GLN  67  -5.939   1.430  -9.967
  520    H    VAL  68           H        VAL  68  -1.394   0.146 -12.336
  521    HA   VAL  68           HA       VAL  68  -0.633  -2.214 -13.747
  522    HB   VAL  68           HB       VAL  68   0.969  -0.202 -12.134
  523   1HG1  VAL  68          1HG1      VAL  68   1.972  -2.408 -13.993
  524   2HG1  VAL  68          2HG1      VAL  68   2.960  -1.075 -13.358
  525   3HG1  VAL  68          3HG1      VAL  68   2.300  -2.282 -12.252
  526   1HG2  VAL  68          1HG2      VAL  68  -0.180   0.654 -14.201
  527   2HG2  VAL  68          2HG2      VAL  68   1.583   0.673 -14.338
  528   3HG2  VAL  68          3HG2      VAL  68   0.645  -0.600 -15.142
  529    H    LEU  69           H        LEU  69  -0.844  -1.533 -10.229
  530    HA   LEU  69           HA       LEU  69   0.479  -3.998  -9.476
  531   1HB   LEU  69          1HB       LEU  69   0.156  -1.887  -7.980
  532   2HB   LEU  69          2HB       LEU  69  -1.508  -2.419  -7.803
  533    HG   LEU  69           HG       LEU  69  -0.508  -4.705  -7.023
  534   1HD1  LEU  69          1HD1      LEU  69   1.932  -2.898  -6.693
  535   2HD1  LEU  69          2HD1      LEU  69   1.740  -4.496  -5.964
  536   3HD1  LEU  69          3HD1      LEU  69   1.842  -4.342  -7.724
  537   1HD2  LEU  69          3HD2      LEU  69  -0.137  -2.212  -5.327
  538   2HD2  LEU  69          1HD2      LEU  69  -1.636  -3.162  -5.512
  539   3HD2  LEU  69          2HD2      LEU  69  -0.226  -3.879  -4.720
  540    H    VAL  70           H        VAL  70  -2.893  -2.831  -9.843
  541    HA   VAL  70           HA       VAL  70  -4.217  -5.210  -9.071
  542    HB   VAL  70           HB       VAL  70  -5.108  -3.179 -11.156
  543   1HG1  VAL  70          1HG1      VAL  70  -6.716  -5.207  -9.563
  544   2HG1  VAL  70          2HG1      VAL  70  -7.383  -3.905 -10.570
  545   3HG1  VAL  70          3HG1      VAL  70  -6.451  -5.205 -11.319
  546   1HG2  VAL  70          3HG2      VAL  70  -5.510  -3.317  -8.129
  547   2HG2  VAL  70          1HG2      VAL  70  -4.641  -2.061  -9.008
  548   3HG2  VAL  70          2HG2      VAL  70  -6.391  -2.224  -9.197
  549    H    LYS  71           H        LYS  71  -2.812  -4.287 -12.233
  550    HA   LYS  71           HA       LYS  71  -3.473  -6.693 -13.605
  551   1HB   LYS  71          1HB       LYS  71  -2.780  -4.828 -14.846
  552   2HB   LYS  71          2HB       LYS  71  -1.252  -4.667 -13.977
  553   1HG   LYS  71          1HG       LYS  71  -0.419  -6.758 -14.860
  554   2HG   LYS  71          2HG       LYS  71  -1.947  -7.084 -15.692
  555   1HD   LYS  71          1HD       LYS  71   0.006  -4.783 -16.226
  556   2HD   LYS  71          2HD       LYS  71  -0.190  -6.229 -17.219
  557   1HE   LYS  71          1HE       LYS  71  -2.221  -3.980 -16.841
  558   2HE   LYS  71          2HE       LYS  71  -1.316  -4.387 -18.299
  559   1HZ   LYS  71          3HZ       LYS  71  -2.473  -6.484 -18.364
  560   2HZ   LYS  71          1HZ       LYS  71  -3.341  -6.082 -17.023
  561   3HZ   LYS  71          2HZ       LYS  71  -3.526  -5.217 -18.412
  562    H    LYS  72           H        LYS  72  -0.441  -5.839 -11.925
  563    HA   LYS  72           HA       LYS  72   0.783  -8.364 -12.029
  564   1HB   LYS  72          1HB       LYS  72   0.989  -6.113 -10.032
  565   2HB   LYS  72          2HB       LYS  72   1.648  -7.682  -9.606
  566   1HG   LYS  72          1HG       LYS  72   3.447  -6.529 -10.466
  567   2HG   LYS  72          2HG       LYS  72   3.002  -7.693 -11.716
  568   1HD   LYS  72          1HD       LYS  72   1.792  -5.846 -12.932
  569   2HD   LYS  72          2HD       LYS  72   2.314  -4.716 -11.670
  570   1HE   LYS  72          1HE       LYS  72   4.201  -6.303 -13.472
  571   2HE   LYS  72          2HE       LYS  72   3.731  -4.614 -13.717
  572   1HZ   LYS  72          3HZ       LYS  72   4.691  -4.098 -11.584
  573   2HZ   LYS  72          1HZ       LYS  72   5.179  -5.660 -11.389
  574   3HZ   LYS  72          2HZ       LYS  72   5.812  -4.744 -12.600
  575    H    ILE  73           H        ILE  73  -1.807  -7.392  -9.823
  576    HA   ILE  73           HA       ILE  73  -1.797  -9.939  -8.399
  577    HB   ILE  73           HB       ILE  73  -3.945  -7.804  -8.652
  578   1HG1  ILE  73          1HG1      ILE  73  -1.870  -7.047  -7.487
  579   2HG1  ILE  73          2HG1      ILE  73  -3.331  -7.026  -6.510
  580   1HG2  ILE  73          1HG2      ILE  73  -3.857 -10.293  -6.918
  581   2HG2  ILE  73          2HG2      ILE  73  -4.916  -8.903  -6.599
  582   3HG2  ILE  73          3HG2      ILE  73  -5.097  -9.823  -8.091
  583   1HD1  ILE  73          1HD1      ILE  73  -1.151  -9.152  -6.380
  584   2HD1  ILE  73          2HD1      ILE  73  -1.408  -7.805  -5.251
  585   3HD1  ILE  73          3HD1      ILE  73  -2.613  -9.099  -5.373
  586    H    SER  74           H        SER  74  -4.117  -8.598 -10.725
  587    HA   SER  74           HA       SER  74  -5.648 -10.968 -10.858
  588   1HB   SER  74          1HB       SER  74  -6.807  -9.873 -12.769
  589   2HB   SER  74          2HB       SER  74  -6.660  -8.846 -11.330
  590    HG   SER  74           HG       SER  74  -4.942  -7.771 -12.313
  591    H    GLN  75           H        GLN  75  -2.959  -9.964 -12.894
  592    HA   GLN  75           HA       GLN  75  -1.960 -10.918 -14.733
  593   1HB   GLN  75          1HB       GLN  75  -2.460 -13.113 -12.728
  594   2HB   GLN  75          2HB       GLN  75  -1.361 -13.343 -14.111
  595   1HG   GLN  75          1HG       GLN  75   0.107 -11.596 -13.322
  596   2HG   GLN  75          2HG       GLN  75  -1.074 -11.058 -12.127
  597   1HE2  GLN  75          1HE2      GLN  75  -0.388 -13.674  -9.774
  598   2HE2  GLN  75          2HE2      GLN  75  -1.621 -12.538 -10.314
   
  No H/Q in entry =         598
  Start of MODEL          22
 Raw file had  599 H/Q atoms
  Start of MODEL   22
    1   1H    LYS   1          1H        LYS   1  -7.795 -10.605  -4.507
    2   2H    LYS   1          2H        LYS   1  -6.780  -9.272  -4.364
    3   3H    LYS   1          3H        LYS   1  -7.137 -10.206  -3.012
    4    HA   LYS   1           HA       LYS   1  -9.417  -9.580  -3.114
    5   1HB   LYS   1          1HB       LYS   1  -7.511  -7.210  -3.210
    6   2HB   LYS   1          2HB       LYS   1  -9.134  -7.204  -2.546
    7   1HG   LYS   1          1HG       LYS   1  -7.980  -7.435  -0.607
    8   2HG   LYS   1          2HG       LYS   1  -8.218  -9.151  -0.993
    9   1HD   LYS   1          1HD       LYS   1  -5.963  -9.188  -2.045
   10   2HD   LYS   1          2HD       LYS   1  -5.777  -7.456  -1.703
   11   1HE   LYS   1          1HE       LYS   1  -5.822  -7.890   0.718
   12   2HE   LYS   1          2HE       LYS   1  -6.134  -9.614   0.431
   13   1HZ   LYS   1          1HZ       LYS   1  -3.727  -8.180  -0.449
   14   2HZ   LYS   1          2HZ       LYS   1  -3.810  -9.151   0.874
   15   3HZ   LYS   1          3HZ       LYS   1  -4.023  -9.784  -0.626
   16    H    SER   2           H        SER   2 -11.122  -8.362  -4.276
   17    HA   SER   2           HA       SER   2 -10.737  -8.275  -7.131
   18   1HB   SER   2          1HB       SER   2 -13.153  -7.336  -6.911
   19   2HB   SER   2          2HB       SER   2 -12.847  -8.984  -6.337
   20    HG   SER   2           HG       SER   2 -13.996  -7.759  -4.782
   21    HA   PRO   3           HA       PRO   3  -9.416  -4.093  -7.758
   22   1HB   PRO   3          1HB       PRO   3 -12.024  -3.697  -9.260
   23   2HB   PRO   3          2HB       PRO   3 -10.392  -3.104  -9.695
   24   1HG   PRO   3          1HG       PRO   3 -11.327  -5.365 -10.848
   25   2HG   PRO   3          2HG       PRO   3  -9.657  -5.338 -10.206
   26   1HD   PRO   3          1HD       PRO   3 -12.126  -6.529  -8.939
   27   2HD   PRO   3          2HD       PRO   3 -10.461  -7.180  -9.033
   28    H    GLU   4           H        GLU   4 -12.912  -4.324  -6.965
   29    HA   GLU   4           HA       GLU   4 -13.316  -1.802  -5.802
   30   1HB   GLU   4          1HB       GLU   4 -14.623  -4.425  -5.063
   31   2HB   GLU   4          2HB       GLU   4 -15.188  -2.789  -4.696
   32   1HG   GLU   4          1HG       GLU   4 -16.283  -2.873  -6.630
   33   2HG   GLU   4          2HG       GLU   4 -14.763  -2.568  -7.430
   34    H    GLU   5           H        GLU   5 -12.152  -4.841  -4.350
   35    HA   GLU   5           HA       GLU   5 -12.049  -3.755  -1.641
   36   1HB   GLU   5          1HB       GLU   5 -11.014  -6.294  -2.949
   37   2HB   GLU   5          2HB       GLU   5 -10.775  -5.922  -1.226
   38   1HG   GLU   5          1HG       GLU   5 -13.478  -6.168  -2.638
   39   2HG   GLU   5          2HG       GLU   5 -12.717  -7.429  -1.662
   40    H    LEU   6           H        LEU   6  -9.830  -4.233  -4.363
   41    HA   LEU   6           HA       LEU   6  -7.495  -3.287  -3.026
   42   1HB   LEU   6          1HB       LEU   6  -8.275  -3.436  -5.945
   43   2HB   LEU   6          2HB       LEU   6  -6.754  -2.804  -5.395
   44    HG   LEU   6           HG       LEU   6  -7.859  -5.607  -4.830
   45   1HD1  LEU   6          3HD1      LEU   6  -6.994  -5.154  -7.178
   46   2HD1  LEU   6          1HD1      LEU   6  -5.388  -4.924  -6.417
   47   3HD1  LEU   6          2HD1      LEU   6  -6.208  -6.483  -6.294
   48   1HD2  LEU   6          3HD2      LEU   6  -5.230  -4.307  -3.989
   49   2HD2  LEU   6          1HD2      LEU   6  -6.424  -5.108  -2.935
   50   3HD2  LEU   6          2HD2      LEU   6  -5.467  -6.061  -4.057
   51    H    LYS   7           H        LYS   7 -10.036  -1.508  -4.760
   52    HA   LYS   7           HA       LYS   7  -8.831   1.050  -4.353
   53   1HB   LYS   7          1HB       LYS   7 -10.871   0.636  -5.756
   54   2HB   LYS   7          2HB       LYS   7 -11.808   0.354  -4.307
   55   1HG   LYS   7          1HG       LYS   7 -12.221   2.569  -5.140
   56   2HG   LYS   7          2HG       LYS   7 -11.506   2.634  -3.529
   57   1HD   LYS   7          1HD       LYS   7  -9.294   3.206  -4.505
   58   2HD   LYS   7          2HD       LYS   7  -9.969   3.071  -6.136
   59   1HE   LYS   7          1HE       LYS   7 -10.861   5.071  -4.005
   60   2HE   LYS   7          2HE       LYS   7  -9.744   5.413  -5.335
   61   1HZ   LYS   7          3HZ       LYS   7 -11.497   4.868  -6.869
   62   2HZ   LYS   7          1HZ       LYS   7 -12.547   4.599  -5.625
   63   3HZ   LYS   7          2HZ       LYS   7 -11.935   6.106  -5.870
   64    H    GLY   8           H        GLY   8 -11.041  -0.823  -2.332
   65   1HA   GLY   8          1HA       GLY   8 -11.258   0.852  -0.074
   66   2HA   GLY   8          2HA       GLY   8 -11.237  -0.920  -0.001
   67    H    ILE   9           H        ILE   9  -8.806  -1.636  -0.702
   68    HA   ILE   9           HA       ILE   9  -7.058  -1.257   1.491
   69    HB   ILE   9           HB       ILE   9  -6.679  -2.267  -1.311
   70   1HG1  ILE   9          1HG1      ILE   9  -8.256  -3.337   0.531
   71   2HG1  ILE   9          2HG1      ILE   9  -7.278  -4.340  -0.545
   72   1HG2  ILE   9          1HG2      ILE   9  -4.697  -2.428   0.955
   73   2HG2  ILE   9          2HG2      ILE   9  -4.633  -3.413  -0.526
   74   3HG2  ILE   9          3HG2      ILE   9  -4.488  -1.656  -0.623
   75   1HD1  ILE   9          1HD1      ILE   9  -6.450  -3.535   2.279
   76   2HD1  ILE   9          2HD1      ILE   9  -7.283  -5.043   1.856
   77   3HD1  ILE   9          3HD1      ILE   9  -5.671  -4.733   1.205
   78    H    PHE  10           H        PHE  10  -6.877   0.073  -1.861
   79    HA   PHE  10           HA       PHE  10  -4.585   1.627  -1.620
   80   1HB   PHE  10          1HB       PHE  10  -5.844   1.210  -3.731
   81   2HB   PHE  10          2HB       PHE  10  -7.135   2.229  -3.173
   82    HD1  PHE  10           HD1      PHE  10  -6.856   4.695  -2.884
   83    HD2  PHE  10           HD2      PHE  10  -3.812   2.201  -4.671
   84    HE1  PHE  10           HE1      PHE  10  -5.803   6.688  -3.867
   85    HE2  PHE  10           HE2      PHE  10  -2.741   4.228  -5.635
   86    HZ   PHE  10           HZ       PHE  10  -3.749   6.455  -5.251
   87    H    GLU  11           H        GLU  11  -7.978   2.522  -0.868
   88    HA   GLU  11           HA       GLU  11  -7.389   5.187   0.025
   89   1HB   GLU  11          1HB       GLU  11  -9.721   3.314   0.586
   90   2HB   GLU  11          2HB       GLU  11  -9.659   5.004   1.107
   91   1HG   GLU  11          1HG       GLU  11  -9.488   5.793  -1.186
   92   2HG   GLU  11          2HG       GLU  11  -9.372   4.146  -1.811
   93    H    LYS  12           H        LYS  12  -7.911   2.125   1.838
   94    HA   LYS  12           HA       LYS  12  -7.581   2.978   4.449
   95   1HB   LYS  12          1HB       LYS  12  -8.180   0.740   4.071
   96   2HB   LYS  12          2HB       LYS  12  -6.781   0.405   3.050
   97   1HG   LYS  12          1HG       LYS  12  -5.245   0.412   4.835
   98   2HG   LYS  12          2HG       LYS  12  -6.465   1.072   5.972
   99   1HD   LYS  12          1HD       LYS  12  -7.814  -1.094   5.453
  100   2HD   LYS  12          2HD       LYS  12  -6.318  -1.712   4.737
  101   1HE   LYS  12          1HE       LYS  12  -6.758  -0.767   7.615
  102   2HE   LYS  12          2HE       LYS  12  -6.546  -2.440   7.082
  103   1HZ   LYS  12          1HZ       LYS  12  -4.516  -0.330   6.848
  104   2HZ   LYS  12          2HZ       LYS  12  -4.556  -1.494   8.012
  105   3HZ   LYS  12          3HZ       LYS  12  -4.320  -1.916   6.442
  106    H    TYR  13           H        TYR  13  -4.928   2.011   2.213
  107    HA   TYR  13           HA       TYR  13  -2.941   2.755   4.237
  108   1HB   TYR  13          1HB       TYR  13  -2.709   1.737   1.420
  109   2HB   TYR  13          2HB       TYR  13  -1.322   2.197   2.413
  110    HD1  TYR  13           HD1      TYR  13  -1.001   1.139   4.672
  111    HD2  TYR  13           HD2      TYR  13  -4.022  -0.291   2.025
  112    HE1  TYR  13           HE1      TYR  13  -1.189  -0.980   5.996
  113    HE2  TYR  13           HE2      TYR  13  -4.156  -2.412   3.207
  114    HH   TYR  13           HH       TYR  13  -3.512  -3.558   5.144
  115    H    ALA  14           H        ALA  14  -4.085   4.169   1.189
  116    HA   ALA  14           HA       ALA  14  -2.257   6.331   1.059
  117   1HB   ALA  14          3HB       ALA  14  -3.674   5.570  -0.823
  118   2HB   ALA  14          1HB       ALA  14  -5.110   6.190   0.016
  119   3HB   ALA  14          2HB       ALA  14  -3.833   7.288  -0.540
  120    H    ALA  15           H        ALA  15  -5.196   5.939   2.949
  121    HA   ALA  15           HA       ALA  15  -5.581   8.592   3.776
  122   1HB   ALA  15          3HB       ALA  15  -7.149   6.751   4.286
  123   2HB   ALA  15          1HB       ALA  15  -5.949   6.038   5.394
  124   3HB   ALA  15          2HB       ALA  15  -6.667   7.614   5.762
  125    H    LYS  16           H        LYS  16  -3.019   6.280   4.771
  126    HA   LYS  16           HA       LYS  16  -2.384   7.694   7.218
  127   1HB   LYS  16          1HB       LYS  16  -0.843   5.674   5.554
  128   2HB   LYS  16          2HB       LYS  16  -0.133   6.503   6.930
  129   1HG   LYS  16          1HG       LYS  16  -0.938   4.353   7.614
  130   2HG   LYS  16          2HG       LYS  16  -1.831   5.631   8.450
  131   1HD   LYS  16          1HD       LYS  16  -3.797   5.265   7.063
  132   2HD   LYS  16          2HD       LYS  16  -2.872   4.261   5.942
  133   1HE   LYS  16          1HE       LYS  16  -4.302   2.882   7.347
  134   2HE   LYS  16          2HE       LYS  16  -2.597   2.520   7.656
  135   1HZ   LYS  16          1HZ       LYS  16  -4.311   4.253   9.305
  136   2HZ   LYS  16          2HZ       LYS  16  -3.860   2.711   9.675
  137   3HZ   LYS  16          3HZ       LYS  16  -2.727   3.905   9.605
  138    H    GLU  17           H        GLU  17  -0.556   9.082   7.532
  139    HA   GLU  17           HA       GLU  17   0.590  10.958   7.183
  140   1HB   GLU  17          1HB       GLU  17   0.701  10.368   4.208
  141   2HB   GLU  17          2HB       GLU  17   1.635  11.551   5.113
  142   1HG   GLU  17          1HG       GLU  17   2.705   9.717   6.421
  143   2HG   GLU  17          2HG       GLU  17   1.785   8.522   5.489
  144    H    GLY  18           H        GLY  18  -1.607  10.570   4.429
  145   1HA   GLY  18          1HA       GLY  18  -3.877  11.566   4.982
  146   2HA   GLY  18          2HA       GLY  18  -3.038  13.109   5.168
  147    H    ASP  19           H        ASP  19  -2.810  10.455   2.639
  148    HA   ASP  19           HA       ASP  19  -3.747  12.464   0.646
  149   1HB   ASP  19          1HB       ASP  19  -1.247  12.302   0.759
  150   2HB   ASP  19          2HB       ASP  19  -1.372  10.635   0.201
  151    HA   PRO  20           HA       PRO  20  -5.903   8.243   0.787
  152   1HB   PRO  20          1HB       PRO  20  -8.388   9.340   0.078
  153   2HB   PRO  20          2HB       PRO  20  -7.822   8.926   1.725
  154   1HG   PRO  20          1HG       PRO  20  -7.755  11.595   0.307
  155   2HG   PRO  20          2HG       PRO  20  -8.209  11.263   2.006
  156   1HD   PRO  20          1HD       PRO  20  -5.788  12.220   1.423
  157   2HD   PRO  20          2HD       PRO  20  -5.914  10.892   2.610
  158    H    ASN  21           H        ASN  21  -5.600  10.795  -1.560
  159    HA   ASN  21           HA       ASN  21  -6.940   9.474  -3.765
  160   1HB   ASN  21          1HB       ASN  21  -5.050  11.779  -4.194
  161   2HB   ASN  21          2HB       ASN  21  -6.644  11.474  -4.873
  162   1HD2  ASN  21          1HD2      ASN  21  -6.140  13.702  -1.467
  163   2HD2  ASN  21          2HD2      ASN  21  -4.792  12.792  -2.135
  164    H    GLN  22           H        GLN  22  -3.660   9.549  -2.426
  165    HA   GLN  22           HA       GLN  22  -2.559   8.207  -4.819
  166   1HB   GLN  22          1HB       GLN  22  -2.664  10.688  -5.229
  167   2HB   GLN  22          2HB       GLN  22  -1.632  10.906  -3.818
  168   1HG   GLN  22          1HG       GLN  22   0.098   9.479  -5.014
  169   2HG   GLN  22          2HG       GLN  22  -1.013   9.361  -6.383
  170   1HE2  GLN  22          1HE2      GLN  22   1.224  12.027  -7.467
  171   2HE2  GLN  22          2HE2      GLN  22   0.977  10.299  -7.521
  172    H    LEU  23           H        LEU  23  -1.144   6.644  -4.104
  173    HA   LEU  23           HA       LEU  23  -0.633   6.473  -1.248
  174   1HB   LEU  23          1HB       LEU  23   0.161   4.761  -3.622
  175   2HB   LEU  23          2HB       LEU  23   0.653   4.452  -1.968
  176    HG   LEU  23           HG       LEU  23  -2.283   4.632  -2.637
  177   1HD1  LEU  23          1HD1      LEU  23  -0.447   2.197  -2.714
  178   2HD1  LEU  23          2HD1      LEU  23  -2.213   2.145  -2.839
  179   3HD1  LEU  23          3HD1      LEU  23  -1.251   2.919  -4.120
  180   1HD2  LEU  23          1HD2      LEU  23  -1.501   4.661  -0.227
  181   2HD2  LEU  23          2HD2      LEU  23  -2.475   3.235  -0.621
  182   3HD2  LEU  23          3HD2      LEU  23  -0.711   3.103  -0.489
  183    H    SER  24           H        SER  24   1.231   7.164  -0.264
  184    HA   SER  24           HA       SER  24   3.469   8.134  -1.832
  185   1HB   SER  24          1HB       SER  24   4.527   8.629   0.258
  186   2HB   SER  24          2HB       SER  24   2.814   8.996   0.487
  187    HG   SER  24           HG       SER  24   3.502   7.761   2.223
  188    H    LYS  25           H        LYS  25   5.724   7.152  -1.462
  189    HA   LYS  25           HA       LYS  25   5.752   4.401  -2.104
  190   1HB   LYS  25          1HB       LYS  25   7.594   6.230  -2.385
  191   2HB   LYS  25          2HB       LYS  25   8.076   5.783  -0.740
  192   1HG   LYS  25          1HG       LYS  25   8.127   3.364  -1.588
  193   2HG   LYS  25          2HG       LYS  25   7.922   3.969  -3.205
  194   1HD   LYS  25          1HD       LYS  25  10.230   4.833  -1.418
  195   2HD   LYS  25          2HD       LYS  25  10.310   3.481  -2.556
  196   1HE   LYS  25          1HE       LYS  25   9.772   4.996  -4.447
  197   2HE   LYS  25          2HE       LYS  25   9.712   6.373  -3.338
  198   1HZ   LYS  25          1HZ       LYS  25  12.068   4.673  -3.798
  199   2HZ   LYS  25          2HZ       LYS  25  11.814   6.170  -4.444
  200   3HZ   LYS  25          3HZ       LYS  25  11.997   5.994  -2.816
  201    H    GLU  26           H        GLU  26   5.843   6.072   1.039
  202    HA   GLU  26           HA       GLU  26   6.476   3.697   2.560
  203   1HB   GLU  26          1HB       GLU  26   5.036   6.217   3.547
  204   2HB   GLU  26          2HB       GLU  26   5.941   5.036   4.504
  205   1HG   GLU  26          1HG       GLU  26   7.987   5.681   3.123
  206   2HG   GLU  26          2HG       GLU  26   7.053   7.044   2.489
  207    H    GLU  27           H        GLU  27   3.488   5.421   1.786
  208    HA   GLU  27           HA       GLU  27   1.720   3.666   3.195
  209   1HB   GLU  27          1HB       GLU  27   1.266   5.314   0.710
  210   2HB   GLU  27          2HB       GLU  27  -0.024   4.528   1.639
  211   1HG   GLU  27          1HG       GLU  27   0.138   5.959   3.446
  212   2HG   GLU  27          2HG       GLU  27   1.846   6.286   3.214
  213    H    LEU  28           H        LEU  28   2.912   3.512  -0.242
  214    HA   LEU  28           HA       LEU  28   1.828   0.961  -0.837
  215   1HB   LEU  28          1HB       LEU  28   4.370   2.389  -1.687
  216   2HB   LEU  28          2HB       LEU  28   4.063   0.736  -2.230
  217    HG   LEU  28           HG       LEU  28   1.998   2.868  -2.504
  218   1HD1  LEU  28          1HD1      LEU  28   4.286   2.259  -4.412
  219   2HD1  LEU  28          2HD1      LEU  28   2.829   3.179  -4.847
  220   3HD1  LEU  28          3HD1      LEU  28   3.917   3.807  -3.598
  221   1HD2  LEU  28          1HD2      LEU  28   1.307   0.466  -2.937
  222   2HD2  LEU  28          2HD2      LEU  28   1.233   1.429  -4.420
  223   3HD2  LEU  28          3HD2      LEU  28   2.600   0.337  -4.140
  224    H    LYS  29           H        LYS  29   4.892   1.694   0.861
  225    HA   LYS  29           HA       LYS  29   5.636  -1.059   0.905
  226   1HB   LYS  29          1HB       LYS  29   6.970   1.106   1.471
  227   2HB   LYS  29          2HB       LYS  29   6.198   1.067   3.025
  228   1HG   LYS  29          1HG       LYS  29   7.181  -1.287   3.339
  229   2HG   LYS  29          2HG       LYS  29   8.056  -1.055   1.831
  230   1HD   LYS  29          1HD       LYS  29   9.223   0.923   2.834
  231   2HD   LYS  29          2HD       LYS  29   8.255   0.748   4.302
  232   1HE   LYS  29          1HE       LYS  29  10.475  -0.202   4.661
  233   2HE   LYS  29          2HE       LYS  29   9.250  -1.478   4.740
  234   1HZ   LYS  29          1HZ       LYS  29  10.935  -0.874   2.408
  235   2HZ   LYS  29          2HZ       LYS  29  11.160  -2.119   3.464
  236   3HZ   LYS  29          3HZ       LYS  29   9.822  -2.087   2.508
  237    H    LEU  30           H        LEU  30   3.811   0.895   3.206
  238    HA   LEU  30           HA       LEU  30   3.300  -1.257   5.050
  239   1HB   LEU  30          1HB       LEU  30   1.627   1.220   4.427
  240   2HB   LEU  30          2HB       LEU  30   1.329   0.149   5.800
  241    HG   LEU  30           HG       LEU  30   3.934   1.688   5.394
  242   1HD1  LEU  30          3HD1      LEU  30   2.035   3.229   5.691
  243   2HD1  LEU  30          1HD1      LEU  30   1.526   2.339   7.142
  244   3HD1  LEU  30          2HD1      LEU  30   3.072   3.214   7.125
  245   1HD2  LEU  30          3HD2      LEU  30   2.792   0.176   7.786
  246   2HD2  LEU  30          1HD2      LEU  30   4.223  -0.284   6.839
  247   3HD2  LEU  30          2HD2      LEU  30   4.249   1.187   7.814
  248    H    LEU  31           H        LEU  31   1.305  -0.085   2.377
  249    HA   LEU  31           HA       LEU  31  -0.782  -1.941   2.475
  250   1HB   LEU  31          1HB       LEU  31  -0.566   0.024   0.973
  251   2HB   LEU  31          2HB       LEU  31   0.606  -0.838  -0.013
  252    HG   LEU  31           HG       LEU  31  -2.229  -1.821   0.430
  253   1HD1  LEU  31          1HD1      LEU  31  -1.080  -0.051  -1.774
  254   2HD1  LEU  31          2HD1      LEU  31  -2.701  -0.764  -1.809
  255   3HD1  LEU  31          3HD1      LEU  31  -2.293   0.430  -0.569
  256   1HD2  LEU  31          3HD2      LEU  31  -0.114  -2.488  -1.671
  257   2HD2  LEU  31          1HD2      LEU  31  -0.851  -3.605  -0.499
  258   3HD2  LEU  31          2HD2      LEU  31  -1.823  -2.943  -1.805
  259    H    LEU  32           H        LEU  32   2.268  -2.216   0.715
  260    HA   LEU  32           HA       LEU  32   1.822  -4.835  -0.301
  261   1HB   LEU  32          1HB       LEU  32   4.388  -3.277   0.269
  262   2HB   LEU  32          2HB       LEU  32   4.370  -4.821  -0.587
  263    HG   LEU  32           HG       LEU  32   2.721  -2.473  -1.597
  264   1HD1  LEU  32          1HD1      LEU  32   5.608  -3.175  -2.298
  265   2HD1  LEU  32          2HD1      LEU  32   4.599  -1.958  -3.114
  266   3HD1  LEU  32          3HD1      LEU  32   5.072  -1.724  -1.425
  267   1HD2  LEU  32          3HD2      LEU  32   3.908  -4.933  -2.937
  268   2HD2  LEU  32          1HD2      LEU  32   2.195  -4.711  -2.510
  269   3HD2  LEU  32          2HD2      LEU  32   2.941  -3.668  -3.726
  270    H    GLN  33           H        GLN  33   3.770  -3.783   2.607
  271    HA   GLN  33           HA       GLN  33   4.557  -6.414   3.323
  272   1HB   GLN  33          1HB       GLN  33   4.075  -3.917   4.970
  273   2HB   GLN  33          2HB       GLN  33   4.732  -5.401   5.666
  274   1HG   GLN  33          1HG       GLN  33   6.697  -5.355   4.323
  275   2HG   GLN  33          2HG       GLN  33   6.080  -4.060   3.292
  276   1HE2  GLN  33          1HE2      GLN  33   6.381  -1.540   5.954
  277   2HE2  GLN  33          2HE2      GLN  33   5.242  -2.109   4.723
  278    H    THR  34           H        THR  34   1.731  -4.512   4.340
  279    HA   THR  34           HA       THR  34   0.882  -6.526   6.211
  280    HB   THR  34           HB       THR  34  -0.810  -4.284   5.059
  281    HG1  THR  34           HG1      THR  34   1.027  -3.346   5.782
  282   1HG2  THR  34          1HG2      THR  34  -0.802  -5.756   7.741
  283   2HG2  THR  34          2HG2      THR  34  -1.811  -4.352   7.359
  284   3HG2  THR  34          3HG2      THR  34  -2.055  -5.877   6.485
  285    H    GLU  35           H        GLU  35  -0.254  -5.635   2.897
  286    HA   GLU  35           HA       GLU  35  -2.348  -7.672   3.038
  287   1HB   GLU  35          1HB       GLU  35  -1.649  -5.567   0.939
  288   2HB   GLU  35          2HB       GLU  35  -3.078  -6.580   0.950
  289   1HG   GLU  35          1HG       GLU  35  -2.285  -4.498   3.046
  290   2HG   GLU  35          2HG       GLU  35  -3.487  -4.297   1.783
  291    H    PHE  36           H        PHE  36   0.764  -7.200   1.436
  292    HA   PHE  36           HA       PHE  36   0.481  -9.825   0.045
  293   1HB   PHE  36          1HB       PHE  36   1.217  -7.173  -1.237
  294   2HB   PHE  36          2HB       PHE  36   1.296  -8.747  -2.015
  295    HD1  PHE  36           HD1      PHE  36  -0.924 -10.164  -2.046
  296    HD2  PHE  36           HD2      PHE  36  -0.722  -5.877  -1.635
  297    HE1  PHE  36           HE1      PHE  36  -3.109  -9.960  -3.200
  298    HE2  PHE  36           HE2      PHE  36  -2.915  -5.683  -2.867
  299    HZ   PHE  36           HZ       PHE  36  -4.082  -7.737  -3.625
  300    HA   PRO  37           HA       PRO  37   4.667  -9.059   2.212
  301   1HB   PRO  37          1HB       PRO  37   4.084 -12.022   2.496
  302   2HB   PRO  37          2HB       PRO  37   4.992 -10.957   3.606
  303   1HG   PRO  37          1HG       PRO  37   2.397 -11.610   4.116
  304   2HG   PRO  37          2HG       PRO  37   2.980  -9.948   4.379
  305   1HD   PRO  37          1HD       PRO  37   1.326 -11.009   2.101
  306   2HD   PRO  37          2HD       PRO  37   1.264  -9.431   2.937
  307    H    SER  38           H        SER  38   3.410 -11.506  -0.088
  308    HA   SER  38           HA       SER  38   5.815 -12.753  -0.751
  309   1HB   SER  38          1HB       SER  38   3.438 -12.417  -2.620
  310   2HB   SER  38          2HB       SER  38   4.491 -13.827  -2.416
  311    HG   SER  38           HG       SER  38   3.575 -14.060  -0.306
  312    H    LEU  39           H        LEU  39   4.164  -9.934  -2.113
  313    HA   LEU  39           HA       LEU  39   5.405  -9.846  -4.637
  314   1HB   LEU  39          1HB       LEU  39   4.072  -7.837  -2.819
  315   2HB   LEU  39          2HB       LEU  39   4.675  -7.339  -4.420
  316    HG   LEU  39           HG       LEU  39   2.558  -9.462  -3.859
  317   1HD1  LEU  39          3HD1      LEU  39   1.940  -7.009  -3.522
  318   2HD1  LEU  39          1HD1      LEU  39   2.306  -6.751  -5.234
  319   3HD1  LEU  39          2HD1      LEU  39   0.996  -7.854  -4.757
  320   1HD2  LEU  39          3HD2      LEU  39   3.690  -8.451  -6.508
  321   2HD2  LEU  39          1HD2      LEU  39   3.681 -10.129  -5.917
  322   3HD2  LEU  39          2HD2      LEU  39   2.167  -9.348  -6.350
  323    H    LEU  40           H        LEU  40   6.629  -8.709  -1.551
  324    HA   LEU  40           HA       LEU  40   8.649  -6.939  -2.526
  325   1HB   LEU  40          1HB       LEU  40   8.440  -8.683  -0.035
  326   2HB   LEU  40          2HB       LEU  40   9.837  -7.662  -0.380
  327    HG   LEU  40           HG       LEU  40   8.411  -5.647  -0.439
  328   1HD1  LEU  40          1HD1      LEU  40   6.199  -7.544   0.474
  329   2HD1  LEU  40          2HD1      LEU  40   6.146  -5.783   0.647
  330   3HD1  LEU  40          3HD1      LEU  40   6.190  -6.498  -0.967
  331   1HD2  LEU  40          1HD2      LEU  40   9.620  -6.349   1.602
  332   2HD2  LEU  40          2HD2      LEU  40   8.102  -5.530   2.000
  333   3HD2  LEU  40          3HD2      LEU  40   8.207  -7.300   2.113
  334    H    LYS  41           H        LYS  41   8.457 -10.461  -2.332
  335    HA   LYS  41           HA       LYS  41  11.273 -10.789  -3.247
  336   1HB   LYS  41          1HB       LYS  41   9.282 -12.613  -1.832
  337   2HB   LYS  41          2HB       LYS  41  10.873 -13.104  -2.418
  338   1HG   LYS  41          1HG       LYS  41  11.927 -11.381  -0.955
  339   2HG   LYS  41          2HG       LYS  41  10.336 -10.933  -0.330
  340   1HD   LYS  41          1HD       LYS  41  11.612 -13.698  -0.073
  341   2HD   LYS  41          2HD       LYS  41  11.598 -12.447   1.180
  342   1HE   LYS  41          1HE       LYS  41   9.076 -12.490   1.146
  343   2HE   LYS  41          2HE       LYS  41   9.149 -13.861   0.022
  344   1HZ   LYS  41          3HZ       LYS  41  10.352 -15.082   1.669
  345   2HZ   LYS  41          1HZ       LYS  41  10.279 -13.816   2.724
  346   3HZ   LYS  41          2HZ       LYS  41   8.897 -14.580   2.256
  347    H    GLY  42           H        GLY  42   8.137 -12.412  -3.554
  348   1HA   GLY  42          1HA       GLY  42   8.680 -13.395  -6.284
  349   2HA   GLY  42          2HA       GLY  42   7.244 -13.686  -5.286
  350    H    GLY  43           H        GLY  43   9.007 -10.908  -6.672
  351   1HA   GLY  43          1HA       GLY  43   7.047 -10.008  -8.466
  352   2HA   GLY  43          2HA       GLY  43   6.744  -9.157  -6.939
  353    H    SER  44           H        SER  44   8.439  -7.717  -6.075
  354    HA   SER  44           HA       SER  44  10.986  -7.357  -7.232
  355   1HB   SER  44          1HB       SER  44   8.649  -5.979  -8.539
  356   2HB   SER  44          2HB       SER  44  10.017  -4.970  -8.122
  357    HG   SER  44           HG       SER  44  10.158  -7.417  -9.561
  358    H    THR  45           H        THR  45  11.920  -5.234  -6.415
  359    HA   THR  45           HA       THR  45  11.175  -4.951  -3.635
  360    HB   THR  45           HB       THR  45  12.963  -3.280  -3.538
  361    HG1  THR  45           HG1      THR  45  13.251  -3.656  -6.324
  362   1HG2  THR  45          3HG2      THR  45  13.594  -5.676  -3.476
  363   2HG2  THR  45          1HG2      THR  45  13.815  -5.675  -5.236
  364   3HG2  THR  45          2HG2      THR  45  14.851  -4.664  -4.212
  365    H    LEU  46           H        LEU  46  10.725  -2.864  -2.612
  366    HA   LEU  46           HA       LEU  46   8.405  -1.637  -3.471
  367   1HB   LEU  46          1HB       LEU  46   9.339  -1.542  -1.159
  368   2HB   LEU  46          2HB       LEU  46  10.696  -0.573  -1.744
  369    HG   LEU  46           HG       LEU  46   9.048   1.259  -2.363
  370   1HD1  LEU  46          1HD1      LEU  46   7.143  -0.542  -0.810
  371   2HD1  LEU  46          2HD1      LEU  46   6.812   1.138  -1.275
  372   3HD1  LEU  46          3HD1      LEU  46   6.993  -0.094  -2.524
  373   1HD2  LEU  46          3HD2      LEU  46   9.308   0.307   0.506
  374   2HD2  LEU  46          1HD2      LEU  46  10.380   1.414  -0.364
  375   3HD2  LEU  46          2HD2      LEU  46   8.736   1.923   0.052
  376    H    ASP  47           H        ASP  47  11.720  -0.408  -3.865
  377    HA   ASP  47           HA       ASP  47  11.021   2.016  -5.133
  378   1HB   ASP  47          1HB       ASP  47  13.561   0.335  -5.281
  379   2HB   ASP  47          2HB       ASP  47  13.390   1.973  -5.917
  380    H    GLU  48           H        GLU  48  11.930  -1.135  -6.503
  381    HA   GLU  48           HA       GLU  48  11.598  -0.478  -9.239
  382   1HB   GLU  48          1HB       GLU  48  11.180  -3.070  -7.731
  383   2HB   GLU  48          2HB       GLU  48  11.021  -2.960  -9.489
  384   1HG   GLU  48          1HG       GLU  48  13.322  -2.255  -9.743
  385   2HG   GLU  48          2HG       GLU  48  13.554  -2.152  -7.995
  386    H    LEU  49           H        LEU  49   9.160  -1.755  -6.945
  387    HA   LEU  49           HA       LEU  49   6.986  -1.682  -8.788
  388   1HB   LEU  49          1HB       LEU  49   7.225  -1.730  -5.800
  389   2HB   LEU  49          2HB       LEU  49   5.726  -1.065  -6.452
  390    HG   LEU  49           HG       LEU  49   5.344  -3.089  -7.799
  391   1HD1  LEU  49          1HD1      LEU  49   7.766  -4.189  -6.310
  392   2HD1  LEU  49          2HD1      LEU  49   6.664  -5.130  -7.333
  393   3HD1  LEU  49          3HD1      LEU  49   7.680  -3.870  -8.057
  394   1HD2  LEU  49          1HD2      LEU  49   4.367  -2.844  -5.546
  395   2HD2  LEU  49          2HD2      LEU  49   4.725  -4.541  -5.912
  396   3HD2  LEU  49          3HD2      LEU  49   5.799  -3.623  -4.835
  397    H    PHE  50           H        PHE  50   8.105   0.851  -6.549
  398    HA   PHE  50           HA       PHE  50   6.110   2.736  -7.233
  399   1HB   PHE  50          1HB       PHE  50   7.733   2.788  -5.300
  400   2HB   PHE  50          2HB       PHE  50   8.994   3.254  -6.422
  401    HD1  PHE  50           HD1      PHE  50   8.825   5.584  -7.549
  402    HD2  PHE  50           HD2      PHE  50   6.032   4.293  -4.525
  403    HE1  PHE  50           HE1      PHE  50   8.110   7.966  -7.147
  404    HE2  PHE  50           HE2      PHE  50   5.429   6.641  -4.078
  405    HZ   PHE  50           HZ       PHE  50   6.636   8.462  -5.244
  406    H    GLU  51           H        GLU  51   9.346   2.171  -8.717
  407    HA   GLU  51           HA       GLU  51   9.031   4.329 -10.596
  408   1HB   GLU  51          1HB       GLU  51  10.735   1.792 -10.585
  409   2HB   GLU  51          2HB       GLU  51  10.949   3.092 -11.770
  410   1HG   GLU  51          1HG       GLU  51  11.636   4.671 -10.102
  411   2HG   GLU  51          2HG       GLU  51  11.156   3.621  -8.770
  412    H    GLU  52           H        GLU  52   8.332   0.873 -10.776
  413    HA   GLU  52           HA       GLU  52   7.539   0.711 -13.489
  414   1HB   GLU  52          1HB       GLU  52   6.505  -0.752 -11.041
  415   2HB   GLU  52          2HB       GLU  52   5.951  -1.106 -12.674
  416   1HG   GLU  52          1HG       GLU  52   8.095  -1.849 -13.387
  417   2HG   GLU  52          2HG       GLU  52   8.908  -1.184 -11.973
  418    H    LEU  53           H        LEU  53   5.666   1.686 -10.611
  419    HA   LEU  53           HA       LEU  53   3.253   2.110 -12.180
  420   1HB   LEU  53          1HB       LEU  53   3.932   2.770  -9.302
  421   2HB   LEU  53          2HB       LEU  53   2.321   2.770 -10.025
  422    HG   LEU  53           HG       LEU  53   4.108   0.300  -9.826
  423   1HD1  LEU  53          3HD1      LEU  53   3.330   1.228  -7.619
  424   2HD1  LEU  53          1HD1      LEU  53   1.661   0.962  -8.184
  425   3HD1  LEU  53          2HD1      LEU  53   2.781  -0.408  -8.003
  426   1HD2  LEU  53          3HD2      LEU  53   1.211   0.512 -10.635
  427   2HD2  LEU  53          1HD2      LEU  53   2.591   0.085 -11.685
  428   3HD2  LEU  53          2HD2      LEU  53   2.147  -0.980 -10.363
  429    H    ASP  54           H        ASP  54   5.445   4.267 -10.401
  430    HA   ASP  54           HA       ASP  54   4.273   6.672 -11.714
  431   1HB   ASP  54          1HB       ASP  54   4.149   6.807  -9.323
  432   2HB   ASP  54          2HB       ASP  54   5.799   6.226  -9.122
  433    H    LYS  55           H        LYS  55   5.414   6.746 -13.612
  434    HA   LYS  55           HA       LYS  55   8.142   6.051 -13.801
  435   1HB   LYS  55          1HB       LYS  55   6.167   6.464 -15.627
  436   2HB   LYS  55          2HB       LYS  55   6.975   8.013 -15.758
  437   1HG   LYS  55          1HG       LYS  55   7.765   6.391 -17.421
  438   2HG   LYS  55          2HG       LYS  55   9.080   6.915 -16.367
  439   1HD   LYS  55          1HD       LYS  55   9.048   4.450 -16.942
  440   2HD   LYS  55          2HD       LYS  55   9.152   4.804 -15.226
  441   1HE   LYS  55          1HE       LYS  55   6.664   4.389 -15.018
  442   2HE   LYS  55          2HE       LYS  55   6.630   3.960 -16.742
  443   1HZ   LYS  55          3HZ       LYS  55   8.185   2.189 -16.170
  444   2HZ   LYS  55          1HZ       LYS  55   8.136   2.671 -14.582
  445   3HZ   LYS  55          2HZ       LYS  55   6.778   2.086 -15.296
  446    H    ASN  56           H        ASN  56   6.916   8.662 -12.240
  447    HA   ASN  56           HA       ASN  56   8.456  10.066 -11.037
  448   1HB   ASN  56          1HB       ASN  56   9.885  11.605 -12.029
  449   2HB   ASN  56          2HB       ASN  56  10.347  10.097 -12.767
  450   1HD2  ASN  56          1HD2      ASN  56   9.295  11.234 -16.056
  451   2HD2  ASN  56          2HD2      ASN  56   9.650   9.818 -15.052
  452    H    GLY  57           H        GLY  57   6.238  10.193 -13.660
  453   1HA   GLY  57          1HA       GLY  57   5.713  12.876 -14.032
  454   2HA   GLY  57          2HA       GLY  57   4.524  11.583 -14.249
  455    H    ASP  58           H        ASP  58   3.824  10.683 -11.834
  456    HA   ASP  58           HA       ASP  58   2.559  13.059 -10.647
  457   1HB   ASP  58          1HB       ASP  58   0.920  11.581  -9.853
  458   2HB   ASP  58          2HB       ASP  58   1.124  11.356 -11.584
  459    H    GLY  59           H        GLY  59   5.178  11.011  -9.930
  460   1HA   GLY  59          1HA       GLY  59   6.687  11.096  -8.242
  461   2HA   GLY  59          2HA       GLY  59   5.869  12.568  -7.688
  462    H    GLU  60           H        GLU  60   3.510  10.374  -7.475
  463    HA   GLU  60           HA       GLU  60   4.239   8.588  -5.324
  464   1HB   GLU  60          1HB       GLU  60   2.108  10.727  -4.939
  465   2HB   GLU  60          2HB       GLU  60   2.335   9.346  -3.869
  466   1HG   GLU  60          1HG       GLU  60   4.366  11.572  -4.318
  467   2HG   GLU  60          2HG       GLU  60   3.154  11.560  -3.055
  468    H    VAL  61           H        VAL  61   2.180   7.087  -5.148
  469    HA   VAL  61           HA       VAL  61   1.508   6.654  -8.011
  470    HB   VAL  61           HB       VAL  61   1.457   4.826  -5.617
  471   1HG1  VAL  61          3HG1      VAL  61  -0.196   4.110  -7.346
  472   2HG1  VAL  61          1HG1      VAL  61   1.095   4.160  -8.565
  473   3HG1  VAL  61          2HG1      VAL  61   1.175   3.003  -7.221
  474   1HG2  VAL  61          3HG2      VAL  61   3.348   5.138  -8.006
  475   2HG2  VAL  61          1HG2      VAL  61   3.753   5.457  -6.307
  476   3HG2  VAL  61          2HG2      VAL  61   3.442   3.805  -6.866
  477    H    SER  62           H        SER  62  -0.421   7.462  -8.770
  478    HA   SER  62           HA       SER  62  -2.750   7.655  -7.020
  479   1HB   SER  62          1HB       SER  62  -3.819   8.557  -9.062
  480   2HB   SER  62          2HB       SER  62  -2.328   9.402  -8.612
  481    HG   SER  62           HG       SER  62  -2.543   8.771 -10.894
  482    H    PHE  63           H        PHE  63  -4.853   6.727  -7.619
  483    HA   PHE  63           HA       PHE  63  -4.723   3.964  -7.541
  484   1HB   PHE  63          1HB       PHE  63  -6.602   5.268  -6.682
  485   2HB   PHE  63          2HB       PHE  63  -7.133   5.612  -8.331
  486    HD1  PHE  63           HD1      PHE  63  -6.296   2.739  -6.039
  487    HD2  PHE  63           HD2      PHE  63  -8.652   4.065  -9.398
  488    HE1  PHE  63           HE1      PHE  63  -7.462   0.565  -6.076
  489    HE2  PHE  63           HE2      PHE  63  -9.849   1.896  -9.398
  490    HZ   PHE  63           HZ       PHE  63  -9.272   0.144  -7.713
  491    H    GLU  64           H        GLU  64  -5.362   6.024 -10.416
  492    HA   GLU  64           HA       GLU  64  -6.082   3.890 -12.090
  493   1HB   GLU  64          1HB       GLU  64  -5.825   5.342 -13.931
  494   2HB   GLU  64          2HB       GLU  64  -6.678   6.140 -12.612
  495   1HG   GLU  64          1HG       GLU  64  -3.730   6.603 -13.224
  496   2HG   GLU  64          2HG       GLU  64  -5.040   7.516 -13.956
  497    H    GLU  65           H        GLU  65  -2.791   5.351 -11.622
  498    HA   GLU  65           HA       GLU  65  -1.659   3.383 -13.452
  499   1HB   GLU  65          1HB       GLU  65   0.521   4.174 -12.723
  500   2HB   GLU  65          2HB       GLU  65  -0.534   5.458 -13.323
  501   1HG   GLU  65          1HG       GLU  65  -0.980   6.227 -11.054
  502   2HG   GLU  65          2HG       GLU  65  -0.104   4.856 -10.366
  503    H    PHE  66           H        PHE  66  -2.184   3.544  -9.923
  504    HA   PHE  66           HA       PHE  66  -0.810   1.208  -9.150
  505   1HB   PHE  66          1HB       PHE  66  -1.815   2.551  -7.478
  506   2HB   PHE  66          2HB       PHE  66  -3.341   2.517  -8.309
  507    HD1  PHE  66           HD1      PHE  66  -1.088   0.373  -6.227
  508    HD2  PHE  66           HD2      PHE  66  -5.004   1.011  -7.861
  509    HE1  PHE  66           HE1      PHE  66  -1.990  -1.469  -4.814
  510    HE2  PHE  66           HE2      PHE  66  -5.845  -1.007  -6.720
  511    HZ   PHE  66           HZ       PHE  66  -4.349  -2.185  -5.058
  512    H    GLN  67           H        GLN  67  -3.787   1.446 -11.149
  513    HA   GLN  67           HA       GLN  67  -4.476  -1.299 -11.032
  514   1HB   GLN  67          1HB       GLN  67  -4.641   0.416 -13.537
  515   2HB   GLN  67          2HB       GLN  67  -5.467  -1.107 -13.222
  516   1HG   GLN  67          1HG       GLN  67  -6.018   1.568 -11.934
  517   2HG   GLN  67          2HG       GLN  67  -7.098   0.552 -12.881
  518   1HE2  GLN  67          1HE2      GLN  67  -6.774   0.088  -8.851
  519   2HE2  GLN  67          2HE2      GLN  67  -5.980   1.365  -9.757
  520    H    VAL  68           H        VAL  68  -1.678   0.143 -12.615
  521    HA   VAL  68           HA       VAL  68  -0.991  -2.165 -14.199
  522    HB   VAL  68           HB       VAL  68   0.767   0.013 -13.030
  523   1HG1  VAL  68          1HG1      VAL  68   1.355  -2.076 -15.163
  524   2HG1  VAL  68          2HG1      VAL  68   2.371  -0.660 -14.816
  525   3HG1  VAL  68          3HG1      VAL  68   2.158  -1.905 -13.584
  526   1HG2  VAL  68          1HG2      VAL  68  -0.952   0.886 -14.601
  527   2HG2  VAL  68          2HG2      VAL  68   0.666   0.969 -15.305
  528   3HG2  VAL  68          3HG2      VAL  68  -0.451  -0.317 -15.807
  529    H    LEU  69           H        LEU  69  -0.676  -1.342 -10.764
  530    HA   LEU  69           HA       LEU  69   1.185  -3.476 -10.135
  531   1HB   LEU  69          1HB       LEU  69   0.491  -1.271  -8.785
  532   2HB   LEU  69          2HB       LEU  69  -0.767  -2.306  -8.131
  533    HG   LEU  69           HG       LEU  69   2.245  -2.711  -7.945
  534   1HD1  LEU  69          3HD1      LEU  69   1.154  -0.995  -6.436
  535   2HD1  LEU  69          1HD1      LEU  69   0.123  -2.285  -5.795
  536   3HD1  LEU  69          2HD1      LEU  69   1.879  -2.351  -5.557
  537   1HD2  LEU  69          3HD2      LEU  69   0.001  -4.531  -6.986
  538   2HD2  LEU  69          1HD2      LEU  69   1.324  -4.946  -8.109
  539   3HD2  LEU  69          2HD2      LEU  69   1.679  -4.624  -6.413
  540    H    VAL  70           H        VAL  70  -2.354  -2.866  -9.860
  541    HA   VAL  70           HA       VAL  70  -3.154  -5.392  -8.934
  542    HB   VAL  70           HB       VAL  70  -4.682  -3.660 -10.937
  543   1HG1  VAL  70          1HG1      VAL  70  -5.579  -5.827  -9.005
  544   2HG1  VAL  70          2HG1      VAL  70  -6.674  -4.727  -9.873
  545   3HG1  VAL  70          3HG1      VAL  70  -5.670  -5.867 -10.776
  546   1HG2  VAL  70          3HG2      VAL  70  -4.564  -3.578  -7.895
  547   2HG2  VAL  70          1HG2      VAL  70  -4.119  -2.282  -8.994
  548   3HG2  VAL  70          2HG2      VAL  70  -5.810  -2.763  -8.868
  549    H    LYS  71           H        LYS  71  -2.608  -4.377 -12.339
  550    HA   LYS  71           HA       LYS  71  -3.096  -6.892 -13.546
  551   1HB   LYS  71          1HB       LYS  71  -2.959  -4.995 -14.925
  552   2HB   LYS  71          2HB       LYS  71  -1.351  -4.550 -14.320
  553   1HG   LYS  71          1HG       LYS  71  -0.288  -6.361 -15.417
  554   2HG   LYS  71          2HG       LYS  71  -1.827  -7.164 -15.773
  555   1HD   LYS  71          1HD       LYS  71  -0.839  -6.157 -17.766
  556   2HD   LYS  71          2HD       LYS  71  -2.425  -5.470 -17.418
  557   1HE   LYS  71          1HE       LYS  71   0.119  -4.090 -16.458
  558   2HE   LYS  71          2HE       LYS  71  -0.444  -3.903 -18.126
  559   1HZ   LYS  71          3HZ       LYS  71  -2.507  -3.077 -17.334
  560   2HZ   LYS  71          1HZ       LYS  71  -2.040  -3.237 -15.764
  561   3HZ   LYS  71          2HZ       LYS  71  -1.265  -2.168 -16.749
  562    H    LYS  72           H        LYS  72   0.019  -5.540 -12.459
  563    HA   LYS  72           HA       LYS  72   1.599  -7.822 -12.891
  564   1HB   LYS  72          1HB       LYS  72   1.839  -5.434 -11.116
  565   2HB   LYS  72          2HB       LYS  72   2.750  -6.852 -10.611
  566   1HG   LYS  72          1HG       LYS  72   4.173  -5.488 -11.950
  567   2HG   LYS  72          2HG       LYS  72   3.846  -7.000 -12.806
  568   1HD   LYS  72          1HD       LYS  72   2.111  -5.808 -14.179
  569   2HD   LYS  72          2HD       LYS  72   2.505  -4.306 -13.330
  570   1HE   LYS  72          1HE       LYS  72   4.530  -5.916 -14.949
  571   2HE   LYS  72          2HE       LYS  72   3.585  -4.564 -15.594
  572   1HZ   LYS  72          3HZ       LYS  72   4.549  -3.148 -13.946
  573   2HZ   LYS  72          1HZ       LYS  72   5.465  -4.374 -13.341
  574   3HZ   LYS  72          2HZ       LYS  72   5.716  -3.844 -14.876
  575    H    ILE  73           H        ILE  73  -0.523  -7.231 -10.105
  576    HA   ILE  73           HA       ILE  73   0.205  -9.735  -8.805
  577    HB   ILE  73           HB       ILE  73  -2.425  -8.215  -8.552
  578   1HG1  ILE  73          1HG1      ILE  73   0.198  -8.005  -7.022
  579   2HG1  ILE  73          2HG1      ILE  73  -0.646  -6.740  -7.919
  580   1HG2  ILE  73          3HG2      ILE  73  -2.489 -10.616  -7.804
  581   2HG2  ILE  73          1HG2      ILE  73  -1.134 -10.272  -6.711
  582   3HG2  ILE  73          2HG2      ILE  73  -2.711  -9.484  -6.487
  583   1HD1  ILE  73          3HD1      ILE  73  -2.550  -6.888  -6.295
  584   2HD1  ILE  73          1HD1      ILE  73  -1.530  -7.970  -5.309
  585   3HD1  ILE  73          2HD1      ILE  73  -1.016  -6.311  -5.614
  586    H    SER  74           H        SER  74  -2.536  -8.774 -10.812
  587    HA   SER  74           HA       SER  74  -3.673 -11.417 -11.037
  588   1HB   SER  74          1HB       SER  74  -5.032  -9.364 -10.949
  589   2HB   SER  74          2HB       SER  74  -4.296  -8.800 -12.464
  590    HG   SER  74           HG       SER  74  -5.147 -10.653 -13.472
  591    H    GLN  75           H        GLN  75  -1.298 -12.004 -11.880
  592    HA   GLN  75           HA       GLN  75  -0.563 -11.680 -14.591
  593   1HB   GLN  75          1HB       GLN  75  -0.164 -13.958 -12.612
  594   2HB   GLN  75          2HB       GLN  75   0.670 -13.877 -14.171
  595   1HG   GLN  75          1HG       GLN  75   2.031 -12.123 -13.539
  596   2HG   GLN  75          2HG       GLN  75   0.844 -11.425 -12.446
  597   1HE2  GLN  75          1HE2      GLN  75   1.836 -13.307  -9.593
  598   2HE2  GLN  75          2HE2      GLN  75   0.524 -12.370 -10.297
   
  No H/Q in entry =         598
  Start of MODEL          23
 Raw file had  599 H/Q atoms
  Start of MODEL   23
    1   1H    LYS   1          1H        LYS   1  -8.573 -11.027  -4.863
    2   2H    LYS   1          2H        LYS   1  -7.217 -10.038  -4.971
    3   3H    LYS   1          3H        LYS   1  -7.591 -10.796  -3.517
    4    HA   LYS   1           HA       LYS   1  -9.561  -9.521  -3.269
    5   1HB   LYS   1          1HB       LYS   1  -7.145  -7.804  -3.881
    6   2HB   LYS   1          2HB       LYS   1  -8.559  -7.381  -2.897
    7   1HG   LYS   1          1HG       LYS   1  -7.941  -9.632  -1.599
    8   2HG   LYS   1          2HG       LYS   1  -6.345  -9.366  -2.313
    9   1HD   LYS   1          1HD       LYS   1  -6.536  -6.951  -1.390
   10   2HD   LYS   1          2HD       LYS   1  -7.984  -7.521  -0.537
   11   1HE   LYS   1          1HE       LYS   1  -5.126  -8.606  -0.214
   12   2HE   LYS   1          2HE       LYS   1  -5.968  -7.548   0.928
   13   1HZ   LYS   1          3HZ       LYS   1  -7.580  -9.272   1.260
   14   2HZ   LYS   1          1HZ       LYS   1  -6.787 -10.269   0.211
   15   3HZ   LYS   1          2HZ       LYS   1  -6.060  -9.805   1.614
   16    H    SER   2           H        SER   2 -11.166  -8.195  -4.280
   17    HA   SER   2           HA       SER   2 -11.146  -8.122  -7.182
   18   1HB   SER   2          1HB       SER   2 -13.368  -7.073  -6.873
   19   2HB   SER   2          2HB       SER   2 -13.203  -8.513  -5.859
   20    HG   SER   2           HG       SER   2 -14.027  -6.823  -4.622
   21    HA   PRO   3           HA       PRO   3  -9.549  -3.932  -7.716
   22   1HB   PRO   3          1HB       PRO   3 -12.176  -3.385  -9.133
   23   2HB   PRO   3          2HB       PRO   3 -10.527  -2.885  -9.615
   24   1HG   PRO   3          1HG       PRO   3 -11.662  -5.039 -10.802
   25   2HG   PRO   3          2HG       PRO   3  -9.966  -5.140 -10.239
   26   1HD   PRO   3          1HD       PRO   3 -12.451  -6.182  -8.864
   27   2HD   PRO   3          2HD       PRO   3 -10.867  -6.981  -9.104
   28    H    GLU   4           H        GLU   4 -12.948  -4.378  -6.688
   29    HA   GLU   4           HA       GLU   4 -13.331  -1.831  -5.459
   30   1HB   GLU   4          1HB       GLU   4 -14.618  -4.523  -4.844
   31   2HB   GLU   4          2HB       GLU   4 -15.208  -2.948  -4.307
   32   1HG   GLU   4          1HG       GLU   4 -15.613  -2.248  -6.621
   33   2HG   GLU   4          2HG       GLU   4 -14.940  -3.761  -7.246
   34    H    GLU   5           H        GLU   5 -12.267  -4.984  -4.181
   35    HA   GLU   5           HA       GLU   5 -11.904  -4.065  -1.459
   36   1HB   GLU   5          1HB       GLU   5 -10.687  -6.358  -3.044
   37   2HB   GLU   5          2HB       GLU   5 -10.290  -6.055  -1.348
   38   1HG   GLU   5          1HG       GLU   5 -13.138  -6.522  -2.341
   39   2HG   GLU   5          2HG       GLU   5 -12.087  -7.785  -1.686
   40    H    LEU   6           H        LEU   6  -9.787  -4.291  -4.286
   41    HA   LEU   6           HA       LEU   6  -7.450  -3.266  -3.054
   42   1HB   LEU   6          1HB       LEU   6  -8.376  -3.413  -5.917
   43   2HB   LEU   6          2HB       LEU   6  -6.822  -2.770  -5.456
   44    HG   LEU   6           HG       LEU   6  -7.846  -5.574  -4.718
   45   1HD1  LEU   6          3HD1      LEU   6  -7.248  -5.279  -7.158
   46   2HD1  LEU   6          1HD1      LEU   6  -5.584  -4.919  -6.596
   47   3HD1  LEU   6          2HD1      LEU   6  -6.300  -6.497  -6.266
   48   1HD2  LEU   6          3HD2      LEU   6  -5.249  -4.124  -4.137
   49   2HD2  LEU   6          1HD2      LEU   6  -6.272  -5.065  -3.019
   50   3HD2  LEU   6          2HD2      LEU   6  -5.314  -5.885  -4.253
   51    H    LYS   7           H        LYS   7 -10.071  -1.494  -4.685
   52    HA   LYS   7           HA       LYS   7  -8.967   1.112  -4.284
   53   1HB   LYS   7          1HB       LYS   7 -10.957   0.792  -5.616
   54   2HB   LYS   7          2HB       LYS   7 -11.824   0.050  -4.309
   55   1HG   LYS   7          1HG       LYS   7 -12.644   2.286  -4.746
   56   2HG   LYS   7          2HG       LYS   7 -12.094   2.055  -3.096
   57   1HD   LYS   7          1HD       LYS   7 -11.459   4.260  -3.850
   58   2HD   LYS   7          2HD       LYS   7 -10.008   3.295  -3.580
   59   1HE   LYS   7          1HE       LYS   7  -9.792   4.630  -5.615
   60   2HE   LYS   7          2HE       LYS   7  -9.778   2.903  -5.969
   61   1HZ   LYS   7          1HZ       LYS   7 -12.106   4.664  -6.269
   62   2HZ   LYS   7          2HZ       LYS   7 -11.138   4.130  -7.495
   63   3HZ   LYS   7          3HZ       LYS   7 -12.049   3.057  -6.642
   64    H    GLY   8           H        GLY   8 -11.102  -0.790  -2.211
   65   1HA   GLY   8          1HA       GLY   8 -11.245   0.869   0.059
   66   2HA   GLY   8          2HA       GLY   8 -11.248  -0.902   0.136
   67    H    ILE   9           H        ILE   9  -8.850  -1.667  -0.551
   68    HA   ILE   9           HA       ILE   9  -7.018  -1.331   1.607
   69    HB   ILE   9           HB       ILE   9  -6.748  -2.317  -1.222
   70   1HG1  ILE   9          1HG1      ILE   9  -8.335  -3.354   0.680
   71   2HG1  ILE   9          2HG1      ILE   9  -7.505  -4.338  -0.530
   72   1HG2  ILE   9          1HG2      ILE   9  -4.769  -2.476   1.041
   73   2HG2  ILE   9          2HG2      ILE   9  -4.727  -3.554  -0.386
   74   3HG2  ILE   9          3HG2      ILE   9  -4.552  -1.810  -0.583
   75   1HD1  ILE   9          1HD1      ILE   9  -6.421  -3.802   2.263
   76   2HD1  ILE   9          2HD1      ILE   9  -7.440  -5.188   1.827
   77   3HD1  ILE   9          3HD1      ILE   9  -5.862  -5.010   1.060
   78    H    PHE  10           H        PHE  10  -7.004   0.063  -1.740
   79    HA   PHE  10           HA       PHE  10  -4.610   1.492  -1.529
   80   1HB   PHE  10          1HB       PHE  10  -5.977   1.063  -3.610
   81   2HB   PHE  10          2HB       PHE  10  -7.129   2.245  -3.068
   82    HD1  PHE  10           HD1      PHE  10  -6.295   4.664  -2.609
   83    HD2  PHE  10           HD2      PHE  10  -3.990   1.709  -4.770
   84    HE1  PHE  10           HE1      PHE  10  -4.738   6.372  -3.357
   85    HE2  PHE  10           HE2      PHE  10  -2.679   3.538  -5.825
   86    HZ   PHE  10           HZ       PHE  10  -3.102   5.877  -5.199
   87    H    GLU  11           H        GLU  11  -7.966   2.449  -0.702
   88    HA   GLU  11           HA       GLU  11  -7.293   5.086   0.196
   89   1HB   GLU  11          1HB       GLU  11  -9.689   3.299   0.738
   90   2HB   GLU  11          2HB       GLU  11  -9.559   4.973   1.307
   91   1HG   GLU  11          1HG       GLU  11  -9.338   5.822  -0.958
   92   2HG   GLU  11          2HG       GLU  11  -9.259   4.191  -1.622
   93    H    LYS  12           H        LYS  12  -7.824   2.025   2.027
   94    HA   LYS  12           HA       LYS  12  -7.366   2.733   4.682
   95   1HB   LYS  12          1HB       LYS  12  -7.854   0.509   4.199
   96   2HB   LYS  12          2HB       LYS  12  -6.491   0.350   3.103
   97   1HG   LYS  12          1HG       LYS  12  -5.930  -0.822   5.027
   98   2HG   LYS  12          2HG       LYS  12  -4.899   0.605   4.900
   99   1HD   LYS  12          1HD       LYS  12  -6.218   1.754   6.629
  100   2HD   LYS  12          2HD       LYS  12  -7.322   0.355   6.716
  101   1HE   LYS  12          1HE       LYS  12  -5.425  -1.083   7.438
  102   2HE   LYS  12          2HE       LYS  12  -4.324   0.302   7.323
  103   1HZ   LYS  12          3HZ       LYS  12  -5.608   1.384   9.021
  104   2HZ   LYS  12          1HZ       LYS  12  -6.629   0.095   9.128
  105   3HZ   LYS  12          2HZ       LYS  12  -5.046  -0.071   9.553
  106    H    TYR  13           H        TYR  13  -4.815   2.163   2.233
  107    HA   TYR  13           HA       TYR  13  -2.814   3.103   4.167
  108   1HB   TYR  13          1HB       TYR  13  -2.565   2.015   1.382
  109   2HB   TYR  13          2HB       TYR  13  -1.206   2.555   2.377
  110    HD1  TYR  13           HD1      TYR  13  -0.864   1.562   4.675
  111    HD2  TYR  13           HD2      TYR  13  -3.726  -0.120   1.949
  112    HE1  TYR  13           HE1      TYR  13  -1.123  -0.427   6.135
  113    HE2  TYR  13           HE2      TYR  13  -3.996  -2.075   3.368
  114    HH   TYR  13           HH       TYR  13  -1.825  -2.718   6.123
  115    H    ALA  14           H        ALA  14  -3.867   4.273   0.980
  116    HA   ALA  14           HA       ALA  14  -2.277   6.557   0.819
  117   1HB   ALA  14          3HB       ALA  14  -3.683   5.692  -1.028
  118   2HB   ALA  14          1HB       ALA  14  -5.138   6.243  -0.169
  119   3HB   ALA  14          2HB       ALA  14  -3.948   7.420  -0.756
  120    H    ALA  15           H        ALA  15  -5.411   6.239   2.437
  121    HA   ALA  15           HA       ALA  15  -6.018   8.861   3.031
  122   1HB   ALA  15          1HB       ALA  15  -6.355   6.421   4.824
  123   2HB   ALA  15          2HB       ALA  15  -7.170   7.981   5.056
  124   3HB   ALA  15          3HB       ALA  15  -7.510   7.024   3.605
  125    H    LYS  16           H        LYS  16  -3.440   6.904   4.588
  126    HA   LYS  16           HA       LYS  16  -3.160   8.579   6.891
  127   1HB   LYS  16          1HB       LYS  16  -1.229   6.700   5.474
  128   2HB   LYS  16          2HB       LYS  16  -0.836   7.570   6.965
  129   1HG   LYS  16          1HG       LYS  16  -2.750   6.594   8.121
  130   2HG   LYS  16          2HG       LYS  16  -3.239   5.701   6.676
  131   1HD   LYS  16          1HD       LYS  16  -0.424   5.346   7.749
  132   2HD   LYS  16          2HD       LYS  16  -1.752   4.594   8.636
  133   1HE   LYS  16          1HE       LYS  16  -1.270   4.150   5.664
  134   2HE   LYS  16          2HE       LYS  16  -0.638   3.108   6.949
  135   1HZ   LYS  16          3HZ       LYS  16  -2.920   2.779   7.691
  136   2HZ   LYS  16          1HZ       LYS  16  -3.476   3.593   6.364
  137   3HZ   LYS  16          2HZ       LYS  16  -2.637   2.197   6.178
  138    H    GLU  17           H        GLU  17  -2.153   9.052   3.570
  139    HA   GLU  17           HA       GLU  17  -0.268  11.236   4.132
  140   1HB   GLU  17          1HB       GLU  17  -1.702  10.314   1.619
  141   2HB   GLU  17          2HB       GLU  17  -0.382  11.492   1.657
  142   1HG   GLU  17          1HG       GLU  17   1.209   9.845   2.434
  143   2HG   GLU  17          2HG       GLU  17  -0.063   8.646   2.701
  144    H    GLY  18           H        GLY  18  -3.681  10.850   3.971
  145   1HA   GLY  18          1HA       GLY  18  -5.282  12.567   4.327
  146   2HA   GLY  18          2HA       GLY  18  -4.197  13.776   3.617
  147    H    ASP  19           H        ASP  19  -3.344  12.744   1.293
  148    HA   ASP  19           HA       ASP  19  -5.571  12.973  -0.444
  149   1HB   ASP  19          1HB       ASP  19  -3.225  13.534  -1.038
  150   2HB   ASP  19          2HB       ASP  19  -2.846  11.804  -1.115
  151    HA   PRO  20           HA       PRO  20  -6.710   8.597   0.105
  152   1HB   PRO  20          1HB       PRO  20  -9.079   8.600  -1.244
  153   2HB   PRO  20          2HB       PRO  20  -8.893   9.332   0.388
  154   1HG   PRO  20          1HG       PRO  20  -8.920  10.669  -2.322
  155   2HG   PRO  20          2HG       PRO  20  -9.741  11.203  -0.832
  156   1HD   PRO  20          1HD       PRO  20  -7.335  12.227  -1.690
  157   2HD   PRO  20          2HD       PRO  20  -7.766  12.095   0.039
  158    H    ASN  21           H        ASN  21  -6.426  10.256  -2.991
  159    HA   ASN  21           HA       ASN  21  -6.941   7.876  -4.612
  160   1HB   ASN  21          1HB       ASN  21  -6.313  10.777  -5.287
  161   2HB   ASN  21          2HB       ASN  21  -6.706   9.538  -6.464
  162   1HD2  ASN  21          1HD2      ASN  21 -10.182   9.342  -5.528
  163   2HD2  ASN  21          2HD2      ASN  21  -8.815   8.342  -6.016
  164    H    GLN  22           H        GLN  22  -4.135   9.087  -3.127
  165    HA   GLN  22           HA       GLN  22  -2.373   7.954  -5.230
  166   1HB   GLN  22          1HB       GLN  22  -2.823  10.434  -5.426
  167   2HB   GLN  22          2HB       GLN  22  -1.995  10.633  -3.877
  168   1HG   GLN  22          1HG       GLN  22   0.046   9.658  -4.892
  169   2HG   GLN  22          2HG       GLN  22  -0.834   9.324  -6.393
  170   1HE2  GLN  22          1HE2      GLN  22   0.732  12.365  -7.440
  171   2HE2  GLN  22          2HE2      GLN  22   0.873  10.619  -7.479
  172    H    LEU  23           H        LEU  23  -0.753   6.635  -4.426
  173    HA   LEU  23           HA       LEU  23  -0.381   6.478  -1.503
  174   1HB   LEU  23          1HB       LEU  23   0.326   4.610  -3.775
  175   2HB   LEU  23          2HB       LEU  23   0.799   4.396  -2.106
  176    HG   LEU  23           HG       LEU  23  -2.121   4.622  -2.814
  177   1HD1  LEU  23          3HD1      LEU  23  -1.084   2.752  -4.133
  178   2HD1  LEU  23          1HD1      LEU  23  -0.407   2.107  -2.626
  179   3HD1  LEU  23          2HD1      LEU  23  -2.162   2.143  -2.855
  180   1HD2  LEU  23          1HD2      LEU  23  -1.419   4.816  -0.406
  181   2HD2  LEU  23          2HD2      LEU  23  -2.439   3.403  -0.736
  182   3HD2  LEU  23          3HD2      LEU  23  -0.691   3.200  -0.534
  183    H    SER  24           H        SER  24   1.542   6.951  -0.573
  184    HA   SER  24           HA       SER  24   3.885   7.841  -2.081
  185   1HB   SER  24          1HB       SER  24   4.835   8.200   0.127
  186   2HB   SER  24          2HB       SER  24   3.165   8.759   0.179
  187    HG   SER  24           HG       SER  24   3.138   7.412   1.868
  188    H    LYS  25           H        LYS  25   6.059   6.758  -1.395
  189    HA   LYS  25           HA       LYS  25   6.111   4.011  -2.056
  190   1HB   LYS  25          1HB       LYS  25   8.064   5.733  -0.414
  191   2HB   LYS  25          2HB       LYS  25   8.419   4.076  -0.918
  192   1HG   LYS  25          1HG       LYS  25   8.317   4.688  -3.260
  193   2HG   LYS  25          2HG       LYS  25   7.854   6.351  -2.834
  194   1HD   LYS  25          1HD       LYS  25   9.959   6.733  -1.695
  195   2HD   LYS  25          2HD       LYS  25  10.487   5.064  -1.970
  196   1HE   LYS  25          1HE       LYS  25   9.741   6.905  -4.284
  197   2HE   LYS  25          2HE       LYS  25  11.376   6.896  -3.588
  198   1HZ   LYS  25          1HZ       LYS  25  10.010   4.574  -4.696
  199   2HZ   LYS  25          2HZ       LYS  25  11.142   5.483  -5.477
  200   3HZ   LYS  25          3HZ       LYS  25  11.561   4.643  -4.121
  201    H    GLU  26           H        GLU  26   6.085   5.680   1.107
  202    HA   GLU  26           HA       GLU  26   6.413   3.275   2.619
  203   1HB   GLU  26          1HB       GLU  26   6.954   5.546   3.511
  204   2HB   GLU  26          2HB       GLU  26   5.241   6.001   3.417
  205   1HG   GLU  26          1HG       GLU  26   4.659   4.343   5.125
  206   2HG   GLU  26          2HG       GLU  26   6.318   3.718   5.125
  207    H    GLU  27           H        GLU  27   3.528   5.129   1.678
  208    HA   GLU  27           HA       GLU  27   1.747   3.320   3.049
  209   1HB   GLU  27          1HB       GLU  27   1.359   5.411   0.925
  210   2HB   GLU  27          2HB       GLU  27   0.069   4.266   1.304
  211   1HG   GLU  27          1HG       GLU  27  -0.179   6.307   2.652
  212   2HG   GLU  27          2HG       GLU  27   0.010   4.850   3.618
  213    H    LEU  28           H        LEU  28   3.042   3.247  -0.394
  214    HA   LEU  28           HA       LEU  28   1.777   0.748  -0.950
  215   1HB   LEU  28          1HB       LEU  28   4.351   2.054  -1.892
  216   2HB   LEU  28          2HB       LEU  28   3.947   0.409  -2.409
  217    HG   LEU  28           HG       LEU  28   1.919   2.587  -2.561
  218   1HD1  LEU  28          1HD1      LEU  28   4.057   2.007  -4.633
  219   2HD1  LEU  28          2HD1      LEU  28   2.605   3.007  -4.905
  220   3HD1  LEU  28          3HD1      LEU  28   3.808   3.518  -3.706
  221   1HD2  LEU  28          1HD2      LEU  28   1.183   0.205  -3.022
  222   2HD2  LEU  28          2HD2      LEU  28   1.055   1.198  -4.481
  223   3HD2  LEU  28          3HD2      LEU  28   2.423   0.089  -4.281
  224    H    LYS  29           H        LYS  29   4.832   1.364   0.775
  225    HA   LYS  29           HA       LYS  29   5.509  -1.403   0.799
  226   1HB   LYS  29          1HB       LYS  29   6.936   0.651   1.387
  227   2HB   LYS  29          2HB       LYS  29   6.098   0.744   2.909
  228   1HG   LYS  29          1HG       LYS  29   6.971  -1.570   3.503
  229   2HG   LYS  29          2HG       LYS  29   7.751  -1.619   1.918
  230   1HD   LYS  29          1HD       LYS  29   9.532  -0.982   3.201
  231   2HD   LYS  29          2HD       LYS  29   8.942   0.605   2.699
  232   1HE   LYS  29          1HE       LYS  29   8.318  -0.768   5.370
  233   2HE   LYS  29          2HE       LYS  29   9.576   0.450   5.116
  234   1HZ   LYS  29          3HZ       LYS  29   7.868   1.990   4.452
  235   2HZ   LYS  29          1HZ       LYS  29   6.701   0.871   4.774
  236   3HZ   LYS  29          2HZ       LYS  29   7.644   1.447   5.992
  237    H    LEU  30           H        LEU  30   3.813   0.587   3.175
  238    HA   LEU  30           HA       LEU  30   3.203  -1.561   4.972
  239   1HB   LEU  30          1HB       LEU  30   2.069   1.205   4.519
  240   2HB   LEU  30          2HB       LEU  30   1.153   0.055   5.494
  241    HG   LEU  30           HG       LEU  30   2.946  -0.257   7.060
  242   1HD1  LEU  30          1HD1      LEU  30   4.528   1.773   5.432
  243   2HD1  LEU  30          2HD1      LEU  30   4.978   1.147   7.027
  244   3HD1  LEU  30          3HD1      LEU  30   4.931   0.052   5.641
  245   1HD2  LEU  30          1HD2      LEU  30   1.332   1.570   7.415
  246   2HD2  LEU  30          2HD2      LEU  30   2.926   2.004   8.058
  247   3HD2  LEU  30          3HD2      LEU  30   2.379   2.690   6.512
  248    H    LEU  31           H        LEU  31   1.294  -0.254   2.287
  249    HA   LEU  31           HA       LEU  31  -0.923  -1.971   2.442
  250   1HB   LEU  31          1HB       LEU  31  -0.647  -0.031   0.929
  251   2HB   LEU  31          2HB       LEU  31   0.475  -0.944  -0.073
  252    HG   LEU  31           HG       LEU  31  -2.387  -1.816   0.428
  253   1HD1  LEU  31          1HD1      LEU  31  -1.239  -0.074  -1.799
  254   2HD1  LEU  31          2HD1      LEU  31  -2.888  -0.718  -1.780
  255   3HD1  LEU  31          3HD1      LEU  31  -2.388   0.449  -0.549
  256   1HD2  LEU  31          3HD2      LEU  31  -0.348  -2.536  -1.730
  257   2HD2  LEU  31          1HD2      LEU  31  -1.098  -3.640  -0.555
  258   3HD2  LEU  31          2HD2      LEU  31  -2.074  -2.930  -1.830
  259    H    LEU  32           H        LEU  32   2.084  -2.432   0.631
  260    HA   LEU  32           HA       LEU  32   1.476  -5.049  -0.342
  261   1HB   LEU  32          1HB       LEU  32   4.116  -3.629   0.235
  262   2HB   LEU  32          2HB       LEU  32   4.032  -5.196  -0.578
  263    HG   LEU  32           HG       LEU  32   2.540  -2.797  -1.695
  264   1HD1  LEU  32          3HD1      LEU  32   4.944  -2.170  -1.460
  265   2HD1  LEU  32          1HD1      LEU  32   5.403  -3.652  -2.321
  266   3HD1  LEU  32          2HD1      LEU  32   4.472  -2.385  -3.151
  267   1HD2  LEU  32          3HD2      LEU  32   3.659  -5.350  -2.916
  268   2HD2  LEU  32          1HD2      LEU  32   1.942  -5.025  -2.578
  269   3HD2  LEU  32          2HD2      LEU  32   2.804  -4.063  -3.791
  270    H    GLN  33           H        GLN  33   3.448  -4.027   2.497
  271    HA   GLN  33           HA       GLN  33   4.121  -6.577   3.402
  272   1HB   GLN  33          1HB       GLN  33   5.127  -4.456   4.162
  273   2HB   GLN  33          2HB       GLN  33   3.644  -4.057   5.047
  274   1HG   GLN  33          1HG       GLN  33   3.956  -6.023   6.501
  275   2HG   GLN  33          2HG       GLN  33   5.381  -6.514   5.570
  276   1HE2  GLN  33          1HE2      GLN  33   7.442  -3.832   6.898
  277   2HE2  GLN  33          2HE2      GLN  33   7.148  -4.701   5.400
  278    H    THR  34           H        THR  34   1.276  -4.628   4.293
  279    HA   THR  34           HA       THR  34   0.378  -6.621   6.202
  280    HB   THR  34           HB       THR  34  -1.476  -4.601   4.954
  281    HG1  THR  34           HG1      THR  34   0.435  -3.482   5.592
  282   1HG2  THR  34          3HG2      THR  34  -2.382  -6.264   6.585
  283   2HG2  THR  34          1HG2      THR  34  -1.203  -5.700   7.786
  284   3HG2  THR  34          2HG2      THR  34  -2.479  -4.614   7.212
  285    H    GLU  35           H        GLU  35  -0.674  -5.724   2.850
  286    HA   GLU  35           HA       GLU  35  -2.807  -7.731   2.986
  287   1HB   GLU  35          1HB       GLU  35  -2.132  -5.535   0.968
  288   2HB   GLU  35          2HB       GLU  35  -3.584  -6.529   0.986
  289   1HG   GLU  35          1HG       GLU  35  -2.630  -4.494   3.067
  290   2HG   GLU  35          2HG       GLU  35  -3.983  -4.325   1.991
  291    H    PHE  36           H        PHE  36   0.293  -7.314   1.392
  292    HA   PHE  36           HA       PHE  36  -0.057  -9.920   0.020
  293   1HB   PHE  36          1HB       PHE  36   0.809  -7.339  -1.342
  294   2HB   PHE  36          2HB       PHE  36   0.800  -8.951  -2.041
  295    HD1  PHE  36           HD1      PHE  36  -1.432 -10.237  -2.167
  296    HD2  PHE  36           HD2      PHE  36  -1.157  -5.976  -1.566
  297    HE1  PHE  36           HE1      PHE  36  -3.741  -9.970  -3.040
  298    HE2  PHE  36           HE2      PHE  36  -3.437  -5.712  -2.619
  299    HZ   PHE  36           HZ       PHE  36  -4.756  -7.733  -3.189
  300    HA   PRO  37           HA       PRO  37   4.049  -9.043   2.139
  301   1HB   PRO  37          1HB       PRO  37   4.186 -11.375   3.616
  302   2HB   PRO  37          2HB       PRO  37   3.425  -9.861   4.174
  303   1HG   PRO  37          1HG       PRO  37   2.065 -12.260   2.934
  304   2HG   PRO  37          2HG       PRO  37   1.578 -11.349   4.395
  305   1HD   PRO  37          1HD       PRO  37   0.420 -10.896   1.995
  306   2HD   PRO  37          2HD       PRO  37   0.766  -9.527   3.080
  307    H    SER  38           H        SER  38   2.584 -11.725   0.385
  308    HA   SER  38           HA       SER  38   4.805 -13.365  -0.280
  309   1HB   SER  38          1HB       SER  38   3.130 -13.750  -2.274
  310   2HB   SER  38          2HB       SER  38   2.608 -14.190  -0.634
  311    HG   SER  38           HG       SER  38   1.033 -12.894  -1.726
  312    H    LEU  39           H        LEU  39   3.085 -10.773  -1.974
  313    HA   LEU  39           HA       LEU  39   5.011 -10.470  -4.087
  314   1HB   LEU  39          1HB       LEU  39   2.804  -8.682  -3.055
  315   2HB   LEU  39          2HB       LEU  39   3.718  -8.340  -4.536
  316    HG   LEU  39           HG       LEU  39   2.004 -10.819  -4.051
  317   1HD1  LEU  39          3HD1      LEU  39   0.688  -8.708  -4.338
  318   2HD1  LEU  39          1HD1      LEU  39   1.536  -8.409  -5.867
  319   3HD1  LEU  39          2HD1      LEU  39   0.475  -9.824  -5.695
  320   1HD2  LEU  39          3HD2      LEU  39   3.546  -9.897  -6.517
  321   2HD2  LEU  39          1HD2      LEU  39   3.773 -11.415  -5.618
  322   3HD2  LEU  39          2HD2      LEU  39   2.293 -11.152  -6.536
  323    H    LEU  40           H        LEU  40   4.547  -8.782  -1.003
  324    HA   LEU  40           HA       LEU  40   6.400  -6.715  -1.388
  325   1HB   LEU  40          1HB       LEU  40   4.891  -6.971   0.574
  326   2HB   LEU  40          2HB       LEU  40   5.915  -8.258   1.189
  327    HG   LEU  40           HG       LEU  40   6.108  -5.941   2.211
  328   1HD1  LEU  40          3HD1