*HEADER    VIRUS/VIRAL PROTEIN/RNA                 05-JAN-05   1WWE              
*TITLE     NMR STRUCTURE DETERMINED FOR MLV NC COMPLEX WITH RNA                  
*TITLE    2 SEQUENCE UUUUGCU                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEOPROTEIN P10;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NUCLEOCAPSID PROTEIN;                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: 5'-R(P*UP*UP*UP*UP*GP*CP*U)-3';                            
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MOLONEY MURINE LEUKEMIA VIRUS;                  
*SOURCE   3 ORGANISM_COMMON: VIRUSES;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1;                                
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES                                                       
*KEYWDS    HYDROPHOBIC GUANOSINE BINDING POCKET                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.DEY, D.YORK, A.SMALLS-MANTEY, M.F.SUMMERS                           
*REVDAT   1   22-MAR-05 1WWE    0                                                

###############################################################
######## Begin NC-linker
###############################################################
#
# CONTAINS PSEUDOATOM CORRECTIONS!!!!!
#
# Upper limit restraints of MMLV Nucleocapsid Protein
# April 2003, MFS, VDS
#-----------------------------------------------------------
#Begin NC restraints
#-----------------------------------------------------------------
#		        ZN Ligands
#-----------------------------------------------------------------
 39 CYSZ ZN     26 CYS- CB      3.5  10.00E+00
 39 CYSZ ZN     29 CYS- CB      3.5  10.00E+00
#39 CYSZ ZN     39 CYSZ CB      3.5  1.00E+00 #Defined in lib
 39 CYSZ ZN     26 CYS- SG      2.30  10.00E+00
 39 CYSZ ZN     29 CYS- SG      2.30  10.00E+00
 39 CYSZ ZN     39 CYSZ SG      2.30  10.00E+00 
 39 CYSZ ZN     34 HIS  NE2     1.95  10.00E+00
#-----------------------------------------------------------------
#                       ZN Geometry
#-----------------------------------------------------------------
 39 CYSZ SG     26 CYS- SG      3.85  10.00E+00
 39 CYSZ SG     29 CYS- SG      3.85  10.00E+00
 26 CYS- SG     29 CYS- SG      3.85  10.00E+00

 39 CYSZ SG     34 HIS  NE2     3.85  10.00E+00
 26 CYS- SG     34 HIS  NE2     3.85  10.00E+00
 29 CYS- SG     34 HIS  NE2     3.85  10.00E+00
#-----------------------------------------------------------------
#      NC Protein Hydrogen Bonds
#-----------------------------------------------------------------
#N-Terminal Tail
 21 LEU  N      18 ARG  O       3.00  1.00E+00
 21 LEU  HN     18 ARG  O       2.00  1.00E+00
 25 GLN  N      22 ASP- O       3.00  1.00E+00
 25 GLN  HN     22 ASP- O       2.00  1.00E+00
 33 GLY  N      24 ASP- O       3.10  1.00E+00
 33 GLY  HN     24 ASP- O       2.10  1.00E+00

#Zinc Finger
 26 CYS- N      31 GLU- O       3.00  1.00E+00
 26 CYS- HN     31 GLU- O       2.00  1.00E+00
#30 LYS  N      26 CYS- O       3.00  1.00E+00
#30 LYS  HN     26 CYS- O       2.00  1.00E+00
 28 TYR  HN     26 CYS- SG      2.65  1.00E+00
 28 TYR  N      26 CYS- SG      3.65  1.00E+00
 31 GLU- HN     29 CYS- SG      2.55  1.00E+00
 31 GLU- N      29 CYS- SG      3.65  1.00E+00
 29 CYS- HN     26 CYS- SG      2.65  1.00E+00
 29 CYS- N      26 CYS- SG      3.65  1.00E+00
 38 ASP- N      35 TRP  O       3.00  1.00E+00
 38 ASP- HN     35 TRP  O       2.00  1.00E+00
 39 CYSZ N      36 ALA  O       3.00  1.00E+00
 39 CYSZ HN     36 ALA  O       2.00  1.00E+00
 41 LYS  HN     39 CYSZ SG      2.65  1.00E+00
 41 LYS  N      39 CYSZ SG      3.65  1.00E+00
 42 LYS  HN     39 CYSZ O       2.20  1.00E+00 # Longer due to Proline turn
 42 LYS  N      39 CYSZ O       3.20  1.00E+00 # Longer due to Proline turn

# Unusual H-bonds

 23 ARG  O     35 TRP HE1       2.00  1.00E+00
 23 ARG  O     35 TRP NE1       3.00  1.00E+00

#31 GLU- OE2   41 LYS NZ        3.40  1.00E+00

#-----------------------------------------------------------------
#  NC Protien NOEs
#-----------------------------------------------------------------

# ARG 18
 18 ARG  QD     21 LEU  QD1     4.6   1.00E+00
 18 ARG  QB     21 LEU  QD1     4.6   1.00E+00

# SER 19
 19 SER  QB     30 LYS  QE      6.3   1.00E+00

# GLN 20
 20 GLN  HA     21 LEU  HN      3.30  1.00E+00

# LEU 21
 21 LEU  HA     22 ASP- HN      2.70  1.00E+00
 21 LEU  HA     21 LEU  QD2     3.30  1.00E+00
 21 LEU  QD2    22 ASP- HN      3.80  1.00E+00  #LEU 21 QD2 upfield
 21 LEU  QD2    23 ARG  HA      5.50  1.00E+00
 21 LEU  QD2    25 GLN  QB      4.60  1.00E+00
#21 LEU  QD1    27 ALA  HA      3.80  1.00E+00  #SD via QB
#21 LEU  QD2    27 ALA  HA      5.50  1.00E+00  #SD via QB
 21 LEU  QD1    27 ALA  QB      5.50  1.00E+00
 21 LEU  QD2    27 ALA  QB      5.50  1.00E+00
 21 LEU  QD2    30 LYS  QE      6.30  1.00E+00

# ASP-22
 22 ASP- HA     23 ARG  HN      2.70  1.00E+00
 22 ASP- HN     25 GLN  QB      3.50  1.00E+00

# ARG 23
 23 ARG  HN     24 ASP- HN      2.70  1.00E+00
 23 ARG  HA     25 GLN  HN      5.00  1.00E+00
 23 ARG  HA     35 TRP  HE1     5.00  1.00E+00
 23 ARG  HA     35 TRP  HZ2     5.00  1.00E+00
 23 ARG  QG     35 TRP  HZ2     5.80  1.00E+00
 23 ARG  QD     35 TRP  HZ2     5.80  1.00E+00

# ASP-24
 24 ASP- HN     25 GLN  HN      2.70  1.00E+00
 24 ASP- HA     35 TRP  HE1     5.00  1.00E+00
 24 ASP- HA     35 TRP  HD1     5.00  1.00E+00
 24 ASP- QB     33 GLY  HN      5.50  1.00E+00

# GLN 25
 25 GLN  HA     26 CYS- HN      2.70  1.00E+00
 25 GLN  HA     32 LYS  HA      5.00  1.00E+00
 25 GLN  HA     33 GLY  HN      5.00  1.00E+00
 25 GLN  HN     35 TRP  HE1     5.00  1.00E+00

# CYS 26
 27 ALA  HN     26 CYS- HA      2.70  1.00E+00
 26 CYS- HA     26 CYS- HB2     2.70  1.00E+00
 26 CYS- HN     26 CYS- HB3     2.70  1.00E+00
 26 CYS- HA     28 TYR  HN      5.00  1.00E+00
 26 CYS- HA     35 TRP  HA      3.30  1.00E+00
 26 CYS- HN     32 LYS  HA      5.00  1.00E+00
 26 CYS- HB3    30 LYS  HN      5.00  1.00E+00
 26 CYS- HB3    31 GLU- HN      2.70  1.00E+00
 26 CYS- HB3    29 CYS- HN      3.30  1.00E+00
 26 CYS- HB2    34 HIS  HD2     3.30  1.00E+00
 26 CYS- HA     36 ALA  HN      5.00  1.00E+00

# ALA 27
 27 ALA  HN     28 TYR  HN      2.90  1.00E+00
 27 ALA  QB     28 TYR  HN      5.50  1.00E+00
 27 ALA  QB     36 ALA  QB      4.30  1.00E+00
 27 ALA  HN     36 ALA  QB      5.50  1.00E+00
 27 ALA  HA     30 LYS  HN      5.00  1.00E+00
 27 ALA  HA     30 LYS  QE      5.80  1.00E+00

# TYR 28
 28 TYR  HN     29 CYS- HN      2.90  1.00E+00
 28 TYR  HN     28 TYR  HB2     2.70  1.00E+00
 28 TYR  HN     36 ALA  HA      5.00  1.00E+00
 28 TYR  HN     36 ALA  QB      5.50  1.00E+00
 28 TYR  HB2    36 ALA  QB      5.50  1.00E+00
#28 TYR  HD1    36 ALA  QB      5.50  1.00E+00
 28 TYR  QD     41 LYS  QB      5.90  1.00E+00
 28 TYR  QE     41 LYS  QD      5.90  1.00E+00
 28 TYR  QE     41 LYS  QE      5.90  1.00E+00
 28 TYR  QE     42 LYS  HA      5.10  1.00E+00
 28 TYR  QE     43 PRO  HD2     5.10  1.00E+00
 28 TYR  QE     43 PRO  HD3     5.10  1.00E+00
 
 28 TYR  HD1    42 LYS  QG      5.80  1.00E+00
 28 TYR  HD1    42 LYS  QE      5.80  1.00E+00
 28 TYR  HE1    42 LYS  QG      5.80  1.00E+00  # SD via Ha
 28 TYR  HE1    42 LYS  QE      5.80  1.00E+00

# CYS 29
 29 CYS- HN     30 LYS  HN      2.90  1.00E+00
 29 CYS- HN     28 TYR  HB3     2.70  1.00E+00
 29 CYS- HN     29 CYS- HB3     3.30  1.00E+00
 29 CYS- HB2    31 GLU- HN      5.00  1.00E+00
 29 CYS- HA     29 CYS- HB2     2.70  1.00E+00
 29 CYS- HA     29 CYS- HB3     2.70  1.00E+00

 29 CYS- HB2    41 LYS  QD      4.10  1.00E+00
 29 CYS- HB3    41 LYS  QD      4.10  1.00E+00

 
# LYS 30
 30 LYS  HN     31 GLU- HN      2.90  1.00E+00

# GLU-31
 32 LYS  HN     31 GLU- HA      2.70  1.00E+00
 31 GLU- HN     31 GLU- HB2     2.70  1.00E+00
#31 GLU- HA     31 GLU- HG2     3.30  1.00E+00
#31 GLU- HA     31 GLU- HG3     3.30  1.00e+00
 31 GLU- HB2    34 HIS  HE1     2.70  1.00E+00
 31 GLU- HB3    34 HIS  HE1     2.70  1.00E+00

# LYS 32
 33 GLY  HN     32 LYS  HA      2.70  1.00E+00

# GLY 33
 33 GLY  HN     34 HIS  HN      2.90  1.00E+00

# HIS 34
 34 HIS  HA     35 TRP  HN      2.70  1.00E+00
 34 HIS  HA     34 HIS  HB2     2.70  1.00E+00
 34 HIS  HA     34 HIS  HB3     2.70  1.00E+00
 34 HIS  HD2    34 HIS  HB2     3.30  1.00E+00
 34 HIS  HB2    35 TRP  HN      2.70  1.00E+00
 34 HIS  HD2    36 ALA  HA      5.00  1.00e+00
 34 HIS  HD2    39 CYSZ HA      3.30  1.00E+00
 34 HIS  HD2    39 CYSZ HB2     3.30  1.00E+00
 34 HIS  HD2    39 CYSZ HN      5.00  1.00E+00
 34 HIS  HB2    39 CYSZ HA      5.00  1.00E+00
#34 HIS  HD2    38 ASP- HB2     5.00  1.00E+00 #SD via CYS39 HN
#34 HIS  HD2    38 ASP- HB3     5.00  1.00E+00 #SD via CYS39 HN
 34 HIS  HB2    38 ASP- HB3     3.30  1.00E+00
 34 HIS  HE1    40 PRO  HD2     3.30  1.00E+00
 34 HIS  HE1    40 PRO  HD3     3.30  1.00E+00
#34 HIS  HE1    41 LYS  QE      5.50  1.00E+00 # SD via GLU31

# TRP 35
 35 TRP  HN     35 TRP  HD1     3.30  1.00E+00
 35 TRP  HA     35 TRP  HD1     3.30  1.00E+00
 35 TRP  HB2    35 TRP  HD1     3.30  1.00E+00
 35 TRP  HA     36 ALA  HN      2.70  1.00E+00
 35 TRP  HN     38 ASP- HB2     5.00  1.00E+00
 35 TRP  HN     38 ASP- HB3     5.00  1.00E+00
 35 TRP  HE3    37 LYS  QE      5.80  1.00E+00
#35 TRP  HZ3    37 LYS  QE      5.80  1.00E+00  #SD via HE3
#35 TRP  HE3    37 LYS  QD      5.80  1.00E+00  #SD via QE
#35 TRP  HZ3    37 LYS  QD      5.80  1.00E+00  #SD via QE

# ALA 36
 36 ALA  HN     37 LYS  HN      3.30  1.00E+00
 36 ALA  HA     39 CYSZ HB2     2.70  1.00E+00
 36 ALA  HA     39 CYSZ HN      3.30  1.00E+00
 36 ALA  QB     37 LYS  HN      3.80  1.00E+00
#36 ALA  QB     37 LYS  QD      4.00  1.00E+00
#36 ALA  QB     37 LYS  QE      4.00  1.00E+00  #SD via QG,QD

# LYS 37
 37 LYS  HN     38 ASP- HN      2.90  1.00E+00
#37 LYS  HB2    38 ASP- HN      3.30  1.00E+00
 37 LYS  HB2    37 LYS  HN      3.30  1.00E+00
 37 LYS  HB3    37 LYS  HA      2.70  1.00E+00

 37 LYS  HA     42 LYS  QE      5.80  1.00E+00

# ASP-38
 38 ASP- HN     39 CYSZ HN      2.90  1.00E+00
 38 ASP- HN     38 ASP- HB2     2.70  1.00E+00

# CYSZ 39
 40 PRO  HD2    39 CYSZ HA      2.70  1.00E+00
 40 PRO  HD3    39 CYSZ HA      2.70  1.00E+00
 39 CYSZ HN     39 CYSZ HB2     2.70  1.00E+00
#39 CYSZ HN     39 CYSZ HB3     2.70  1.00E+00 #SD
 39 CYSZ HA     39 CYSZ HB2     2.70  1.00E+00
 39 CYSZ HA     40 PRO  HD2     2.70  1.00E+00
 39 CYSZ HA     40 PRO  HD3     2.70  1.00E+00
 39 CYSZ QB     42 LYS  QG      4.30  1.00E+00

# PRO 40
 40 PRO  HD2    41 LYS  HN      2.70  1.00E+00

# LYS 41
 41 LYS  HN     42 LYS  HN      2.90  1.00E+00

# LYS 42
 42 LYS  HA     43 PRO  HD2     2.70  1.00E+00
 42 LYS  HA     43 PRO  HD3     2.70  1.00E+00

# ARG 44
44 ARG  HA     45 GLY  HN      2.70  1.00E+00

# GLY 45
45 GLY  HA1    46 PRO HA       2.70  1.00E+00   # cis-Pro
45 GLY  HA2    46 PRO HA       2.70  1.00E+00   # cis-Pro

# ARG 47
47 ARG  HA     48 GLY HN       2.70  1.00E+00

#GLY 48
48 GLY  QA     49 PRO HD2      3.20  1.00E+00
48 GLY  QA     49 PRO HD3      3.20  1.00E+00

# PRO 49
49 PRO  HA     50 ARG HN       2.70  1.00E+00

# ARG 50
50 ARG  HA     51 PRO HD2      2.70  1.00E+00
50 ARG  HA     51 PRO HD3      2.70  1.00E+00
####################################################################
####### End NC
####################################################################

####################################################################
#### Begin RNA Restraints
####################################################################

#----------------------Begin C4'-O4' BOND----------------------------
#### C4' to O4'
517 URA  C4'    517 URA  O4'     1.46  10.00E+00
518 URA  C4'    518 URA  O4'     1.46  10.00E+00
519 URA  C4'    519 URA  O4'     1.46  10.00E+00
520 URA  C4'    520 URA  O4'     1.46  10.00E+00
521 RGUA C4'    521 RGUA O4'     1.46  10.00E+00
522 RCYT C4'    522 RCYT O4'     1.46  10.00E+00
523 URA  C4'    523 URA  O4'     1.46  10.00E+00

### C5' to O4'
517 URA  C5'    517 URA  O4'    2.42  10.00E+00
518 URA  C5'    518 URA  O4'    2.42  10.00E+00
519 URA  C5'    519 URA  O4'    2.42  10.00E+00
520 URA  C5'    520 URA  O4'    2.42  10.00E+00
521 RGUA C5'    521 RGUA O4'    2.42  10.00E+00
522 RCYT C5'    522 RCYT O4'    2.42  10.00E+00
523 URA  C5'    523 URA  O4'    2.42  10.00E+00

#----------------------END C4'-O4' BOND------------------------------

#--------------------- Begin AACAGU NOEs-----------------------------
#---------Intramolecular RNA NOEs--------------
# URA 517
 517 URA  H6     517 URA  H2'     4.00  1.00E+00
 517 URA  H6     517 URA  H3'     3.00  1.00E+00
 517 URA  H3'    517 URA  H5"     3.30  1.00E+00
 517 URA  H4'    517 URA  H5'     2.70  1.00E+00
 517 URA  H4'    517 URA  H5"     2.70  1.00E+00

 517 URA  H6     518 URA  H6      5.0   1.00E+00
 517 URA  H6     518 URA  H5      5.0   1.00E+00
 517 URA  H2'    518 URA  H6      2.7   1.00E+00
 517 URA  H3'    518 URA  H6      3.0   1.00E+00

# URA 518
 518 URA  H6     518 URA  H2'     4.00  1.00E+00
 518 URA  H6     518 URA  H3'     3.00  1.00E+00
 518 URA  H3'    518 URA  H5"     3.30  1.00E+00
 518 URA  H4'    518 URA  H5'     2.70  1.00E+00
 518 URA  H4'    518 URA  H5"     2.70  1.00E+00

# URA 519
 519 URA  H6     519 URA  H2'     4.00  1.00E+00
 519 URA  H6     519 URA  H3'     3.00  1.00E+00
 519 URA  H3'    519 URA  H5"     3.30  1.00E+00
 519 URA  H4'    519 URA  H5'     2.70  1.00E+00
 519 URA  H4'    519 URA  H5"     2.70  1.00E+00
#519 URA  H4'    495 URA  H5      5.00  1.00E+00
#519 URA  Q5'    495 URA  H5      5.80  1.00E+00

# URA 520
 520 URA  H6     520 URA  H2'     4.00  1.00E+00
 520 URA  H6     520 URA  H3'     3.00  1.00E+00
 520 URA  H3'    520 URA  H5"     3.30  1.00E+00
 520 URA  H4'    520 URA  H5'     2.70  1.00E+00
 520 URA  H4'    520 URA  H5"     2.70  1.00E+00

# RGUA 521
 521 RGUA H8     521 RGUA H2'     4.00  1.00E+00
 521 RGUA H8     521 RGUA H3'     3.00  1.00E+00
 521 RGUA H3'    521 RGUA H5"     3.30  1.00E+00
 521 RGUA H4'    521 RGUA H5'     2.70  1.00E+00
 521 RGUA H4'    521 RGUA H5"     2.70  1.00E+00

# RCYT 522
 522 RCYT H6     522 RCYT H2'     4.00  1.00E+00
 522 RCYT H6     522 RCYT H3'     3.00  1.00E+00
 522 RCYT H3'    522 RCYT H5"     3.30  1.00E+00
 522 RCYT H4'    522 RCYT H5'     2.70  1.00E+00
 522 RCYT H4'    522 RCYT H5"     2.70  1.00E+00

# URA 523
 523 URA  H6     523 URA  H2'     4.00  1.00E+00
 523 URA  H6     523 URA  H3'     3.00  1.00E+00
 523 URA  H3'    523 URA  H5"     3.30  1.00E+00
 523 URA  H4'    523 URA  H5'     2.70  1.00E+00
 523 URA  H4'    523 URA  H5"     2.70  1.00E+00

#####################################################################
## Begin Intermolecular Interactions
#####################################################################
##-------------------------------------------------------
# Intermolecular Hydrogen Bonds (H-bonds)
##-------------------------------------------------------
# URA 519
 519 URA  O2    42 LYS  HZ1       2.00  1.00E+00
 519 URA  O2    42 LYS  NZ        3.00  1.00E+00
#519 URA  OP2   28 TYR  HH        2.00  1.00E+00  #Possible

# RGUA 521
 521 RGUA O6    27 ALA  HN        2.00  1.00E+00
 521 RGUA O6    27 ALA  N         3.00  1.00E+00
 521 RGUA O6    36 ALA  HN        2.00  1.00E+00
 521 RGUA O6    36 ALA  N         3.00  1.00E+00

 521 RGUA H1    25 GLN  O         2.00  1.00E+00
 521 RGUA N1    25 GLN  O         3.00  1.00E+00
 521 RGUA H21   25 GLN  O         2.00  1.00E+00
 521 RGUA N2    25 GLN  O         3.00  1.00E+00

#521 RGUA H21   22 ASP- O         2.00  1.00E+00
 521 RGUA H22   22 ASP- O         2.00  1.00E+00
#521 RGUA N2    22 ASP- O         3.00  1.00E+00

 521 RGUA O2'   23 ARG  HH21      2.00  1.00E+00  #Likely
 521 RGUA O2'   23 ARG  NH2       3.00  1.00E+00  #Likely

#521 RGUA OP2   37 LYS  NZ        3.80  1.00E+00  #Questionable
#521 RGUA N7    37 LYS  HZ2       2.00  1.00E+00  #Likely
#521 RGUA N7    37 LYS  NZ        3.00  1.00E+00  #Likely

#---------------------------------------------------------
#  Intermolecular NOEs
#---------------------------------------------------------

# URA 518
 518 URA  H6      28 TYR  QE      5.1   1.00E+00
 518 URA  H5      28 TYR  QE      5.1   1.00E+00
 518 URA  H1'     30 LYS  QE      5.8   1.00E+00 #Check
 518 URA  H5      29 CYS- HA      5.0   1.00E+00
 518 URA  H5      41 LYS  QE      5.8   1.00E+00
 518 URA  H2'     28 TYR  QD      5.1   1.00E+00 #Check
 518 URA  H2'     28 TYR  QE      6.8   1.00E+00 #Check
 518 URA  H2'     28 TYR  HA      3.3   1.00E+00 #Check
#518 URA  H1'     28 TYR  QD      4.5   1.00E+00 #SD via H2'
#518 URA  H1'     28 TYR  QE      5.8   1.00E+00 #SD via H2'
#518 URA  H1'     28 TYR  HA      5.0   1.00E+00 #SD via H2'

# URA 519
 519 URA  H1'     27 ALA  QB      5.50  1.00E+00
 519 URA  H4'     27 ALA  QB      3.80  1.00E+00
 519 URA  H1'     36 ALA  QB      3.80  1.00E+00
 519 URA  H1'     28 TYR  QB      5.50  1.00E+00
 519 URA  H1'     28 TYR  HA      5.00  1.00E+00
 519 URA  H1'     28 TYR  QD      5.10  1.00E+00
 519 URA  H6      28 TYR  HD1     2.70  1.00E+00
 519 URA  H5      28 TYR  HE1     2.70  1.00E+00
 519 URA  H1'     42 LYS  QE      5.80  1.00E+00

# URA 520
 520 URA  H6      27 ALA  QB      5.5   1.00E+00
 520 URA  H6      21 LEU  QD1     5.5   1.00E+00
 520 URA  H5      27 ALA  QB      3.8   1.00E+00
 520 URA  H5      21 LEU  QD1     3.8   1.00E+00
 520 URA  H5      18 ARG  HA      5.0   1.00E+00
 520 URA  H5      18 ARG  QB      5.8   1.00E+00
 520 URA  H5      18 ARG  QD      5.8   1.00E+00

## RGUA 521
 521 RGUA H8      35 TRP  HZ3     5.00  1.00E+00
#521 RGUA H8      35 TRP  HH2     5.00  1.00E+00  #SD via HZ3
#521 RGUA H8      35 TRP  HE3     5.00  1.00E+00  #SD via HZ3
 521 RGUA H8      27 ALA  QB      6.50  1.00E+00
 521 RGUA H8      36 ALA  QB      6.50  1.00E+00
 521 RGUA H8      21 LEU  QD1     6.50  1.00E+00
 521 RGUA H1'     21 LEU  QD1     4.80  1.00E+00
 521 RGUA H8      37 LYS  QE      5.80  1.00E+00
#521 RGUA H8      37 LYS  QD      5.80  1.00E+00  #SD via QE
#521 RGUA H8      35 TRP  HZ2     5.00  1.00E+00  #SD via H2
#521 RGUA H1'     35 TRP  HZ2     5.00  1.00E+00  #SD via HZ3
 521 RGUA H2'     35 TRP  HZ3     5.00  1.00E+00
 521 RGUA H1'     35 TRP  HH2     5.00  1.00E+00
 521 RGUA H2'     35 TRP  HH2     5.00  1.00E+00
 521 RGUA H1'     23 ARG  QD      4.10  1.00E+00
#521 RGUA Q2      35 TRP  HE1     4.10  1.00E+00
#521 RGUA Q2      21 LEU  QD2     3.80  1.00E+00
#521 RGUA Q2      21 LEU  QB      6.30  1.00E+00
#521 RGUA Q2      23 ARG  HA      5.80  1.00E+00
#521 RGUA Q2      25 GLN  HN      4.10  1.00E+00

# RCYT 522
#522 RCYT H5      35 TRP  HZ3     5.0   1.00E+00
 522 RCYT H5      35 TRP  HH2     5.0   1.00E+00
#522 RCYT H5      35 TRP  HE3     5.0   1.00E+00

#######################################################################
######## End NC-AACAGU
#######################################################################

#################################################################
##### Begin NC-AACAGU Restraints
#################################################################

#---------------------------------------------------------------
# Begin NC Protein Restraints
#		        ZN Ligands
#-----------------------------------------------------------------
 39 CYSZ ZN     26 CYS- CB      3.10  10.00E+00
 39 CYSZ ZN     29 CYS- CB      3.10  10.00E+00
 39 CYSZ ZN     39 CYSZ CB      3.10  10.00E+00
 39 CYSZ ZN     26 CYS- SG      2.25  10.00E+00
 39 CYSZ ZN     29 CYS- SG      2.25  10.00E+00
 39 CYSZ ZN     39 CYSZ SG      2.25  10.00E+00 
 39 CYSZ ZN     34 HIS  NE2     1.90  10.00E+00
 39 CYSZ ZN     34 HIS  ND1     4.13  5.00E+00 
 39 CYSZ ZN     34 HIS  CG      4.13  5.00E+00 

#-----------------------------------------------------------------
#                       ZN Geometry
#-----------------------------------------------------------------
 39 CYSZ SG     26 CYS- SG      3.70  10.00E+00
 39 CYSZ SG     29 CYS- SG      3.70  10.00E+00
 26 CYS- SG     29 CYS- SG      3.70  10.00E+00

 39 CYSZ SG     34 HIS  NE2     3.50  10.00E+00
 26 CYS- SG     34 HIS  NE2     3.50  10.00E+00
 29 CYS- SG     34 HIS  NE2     3.50  10.00E+00

#-----------------------------------------------------------------
#			Hydrogen Bonds
#-----------------------------------------------------------------
#Tail
 21 LEU  N      18 ARG  O       2.70  1.00E+00
 21 LEU  HN     18 ARG  O       1.80  1.00E+00
 25 GLN  N      22 ASP- O       2.70  1.00E+00
 25 GLN  HN     22 ASP- O       1.80  1.00E+00
 33 GLY  N      24 ASP- O       2.70  1.00E+00
 33 GLY  HN     24 ASP- O       1.80  1.00E+00

 26 CYS- N      31 GLU- O       2.70  1.00E+00
 26 CYS- HN     31 GLU- O       1.80  1.00E+00
#30 LYS  N      26 CYS- O       2.70  1.00E+00
#30 LYS  HN     26 CYS- O       1.80  1.00E+00
 28 TYR  HN     26 CYS- SG      2.25  1.00E+00 
 28 TYR  N      26 CYS- SG      3.25  1.00E+00
 31 GLU- HN     29 CYS- SG      2.25  1.00E+00
 31 GLU- N      29 CYS- SG      3.25  1.00E+00
 29 CYS- HN     26 CYS- SG      2.25  1.00E+00
 29 CYS- N      26 CYS- SG      3.25  1.00E+00
 38 ASP- N      35 TRP  O       2.70  1.00E+00
 38 ASP- HN     35 TRP  O       1.80  1.00E+00
 39 CYSZ N      36 ALA  O       2.70  1.00E+00
 39 CYSZ HN     36 ALA  O       1.80  1.00E+00
 41 LYS  HN     39 CYSZ SG      2.25  1.00E+00
 41 LYS  N      39 CYSZ SG      3.25  1.00E+00
 42 LYS  HN     39 CYSZ O       1.80  1.00E+00
 42 LYS  N      39 CYSZ O       2.70  1.00E+00

#--------------------------------------------
# Unusual H-bonds

 23 ARG  O      35 TRP  HE1     1.90  1.00E+00
 23 ARG  O      35 TRP  NE1     2.90  1.00E+00

#----------- End NC Protein HBond Restraints

################# Begin RNA restraints ##############
#-----------------Begin C4'-O4' BOND-----------------
#### C4' to O4'
517 URA  C4'    517 URA  O4'     1.44  10.00E+00
518 URA  C4'    518 URA  O4'     1.44  10.00E+00
519 URA  C4'    519 URA  O4'     1.44  10.00E+00
520 URA  C4'    520 URA  O4'     1.44  10.00E+00
521 RGUA C4'    521 RGUA O4'     1.44  10.00E+00
522 RCYT C4'    522 RCYT O4'     1.44  10.00E+00
523 URA  C4'    523 URA  O4'     1.44  10.00E+00

### C5' to O4'
517 URA  C5'    517 URA  O4'     2.32  10.00E+00
518 URA  C5'    518 URA  O4'     2.32  10.00E+00
519 URA  C5'    519 URA  O4'     2.32  10.00E+00
520 URA  C5'    520 URA  O4'     2.32  10.00E+00
521 RGUA C5'    521 RGUA O4'     2.32  10.00E+00
522 RCYT C5'    522 RCYT O4'     2.32  10.00E+00
523 URA  C5'    523 URA  O4'     2.32  10.00E+00

#-----------------End C4'-O4' BOND--------------------
#-------------------------------------------------------
# Begin Intermolecular NC-Linker RNA H-bond Restraints
#-------------------------------------------------------

# RGUA 497 
 521 RGUA O6    27 ALA  HN        1.80  1.00E+00
 521 RGUA O6    27 ALA  N         2.70  1.00E+00
 521 RGUA O6    36 ALA  HN        1.80  1.00E+00
 521 RGUA O6    36 ALA  N         2.70  1.00E+00

 521 RGUA H1    25 GLN  O         1.80  1.00E+00
 521 RGUA N1    25 GLN  O         2.70  1.00E+00
 521 RGUA H21   25 GLN  O         1.80  1.00E+00
 521 RGUA N2    25 GLN  O         2.70  1.00E+00

 521 RGUA H21   22 ASP- O         1.80  1.00E+00
 521 RGUA H22   22 ASP- O         1.80  1.00E+00
 521 RGUA N2    22 ASP- O         2.00  1.00E+00

 521 RGUA O2'   23 ARG  HE        1.80  1.00E+00
 521 RGUA O2'   23 ARG  NE        2.70  1.00E+00

#521 RGUA OP2   37 LYS  HZ2       1.80  1.00E+00 #Questionable
#521 RGUA OP2   37 LYS  NZ        2.70  1.00E+00 #Questionable

 521 RGUA N7    37 LYS  HZ2       1.80  1.00E+00 #Questionable
 521 RGUA N7    37 LYS  NZ        2.70  1.00E+00 #Questionable


### URA 308
##308 URA  O4    30 LYS  HZ2       1.80  1.00E+00  #Questionable
##308 URA  O4    30 LYS  NZ        2.70  1.00E+00  #Questionable
#
# 308 URA  O2'   18 ARG  HE        1.80  1.00E+00
# 308 URA  O2'   18 ARG  NE        2.70  1.00E+00

# URA 519
 519 URA  O2    42 LYS  HZ1       1.80  1.00E+00
 519 URA  O2    42 LYS  NZ        2.70  1.00E+00

## URA 306
##306 URA  O4    41 LYS  HZ1       1.80  1.00E+00  #Questionable
##306 URA  O4    41 LYS  NZ        2.70  1.00E+00  #Questionable
#
##306 URA  O2'   30 LYS  HZ3       1.80  1.00E+00  #Questionable
##306 URA  O2'   30 LYS  NZ        2.70  1.00E+00  #Questionable
#
##################################################################
#######  End NC-AACAGU Restraints
##################################################################

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    U 517          1H5*        U 517  -1.410   1.543 -30.898
    2   2H5*    U 517          2H5*        U 517  -2.108   1.612 -29.280
    3    H4*    U 517           H4*        U 517  -3.259   2.790 -31.335
    4    H3*    U 517           H3*        U 517  -4.644   1.346 -29.071
    5    H2*    U 517           H2*        U 517  -6.712   2.052 -29.948
    6   2HO*    U 517          2HO*        U 517  -5.822   4.184 -30.316
    7    H1*    U 517           H1*        U 517  -5.791   1.626 -32.657
    8    H3     U 517           H3         U 517  -9.553  -0.917 -32.395
    9    H5     U 517           H5         U 517  -6.724  -3.019 -30.133
   10    H6     U 517           H6         U 517  -5.232  -1.090 -30.389
   11   1H5*    U 518          1H5*        U 518  -4.534   5.594 -28.747
   12   2H5*    U 518          2H5*        U 518  -4.766   6.581 -27.304
   13    H4*    U 518           H4*        U 518  -6.834   6.657 -28.347
   14    H3*    U 518           H3*        U 518  -6.886   4.533 -26.209
   15    H2*    U 518           H2*        U 518  -9.171   4.166 -26.645
   16   2HO*    U 518          2HO*        U 518  -8.904   6.513 -28.296
   17    H1*    U 518           H1*        U 518  -8.722   4.469 -29.497
   18    H3     U 518           H3         U 518 -10.464   0.346 -29.723
   19    H5     U 518           H5         U 518  -7.217  -0.172 -27.129
   20    H6     U 518           H6         U 518  -6.855   2.250 -27.258
   21   1H5*    U 519          1H5*        U 519  -8.857   7.275 -24.227
   22   2H5*    U 519          2H5*        U 519  -8.212   8.767 -23.544
   23    H4*    U 519           H4*        U 519  -9.628   7.660 -21.934
   24    H3*    U 519           H3*        U 519  -6.699   7.801 -21.290
   25    H2*    U 519           H2*        U 519  -7.092   6.781 -19.183
   26   2HO*    U 519          2HO*        U 519  -9.871   6.793 -19.910
   27    H1*    U 519           H1*        U 519  -8.628   4.711 -20.219
   28    H3     U 519           H3         U 519  -4.413   3.232 -18.976
   29    H5     U 519           H5         U 519  -4.178   4.208 -23.042
   30    H6     U 519           H6         U 519  -6.393   5.236 -22.822
   31   1H5*    U 520          1H5*        U 520  -5.257  11.906 -22.482
   32   2H5*    U 520          2H5*        U 520  -6.193  12.577 -21.147
   33    H4*    U 520           H4*        U 520  -6.765  13.865 -23.018
   34    H3*    U 520           H3*        U 520  -8.914  11.808 -22.482
   35    H2*    U 520           H2*        U 520 -10.226  12.815 -24.142
   36   2HO*    U 520          2HO*        U 520  -8.299  14.942 -24.181
   37    H1*    U 520           H1*        U 520  -7.824  13.423 -25.703
   38    H3     U 520           H3         U 520  -8.779  10.613 -29.068
   39    H5     U 520           H5         U 520 -11.192   9.184 -25.957
   40    H6     U 520           H6         U 520 -10.133  10.851 -24.504
   41   1H5*    G 521          1H5*        G 521 -10.906  15.063 -18.968
   42   2H5*    G 521          2H5*        G 521 -10.109  13.848 -17.969
   43    H4*    G 521           H4*        G 521 -12.742  14.456 -17.840
   44    H3*    G 521           H3*        G 521 -11.271  11.930 -17.119
   45    H2*    G 521           H2*        G 521 -13.330  10.960 -16.425
   46   2HO*    G 521          2HO*        G 521 -14.461  13.519 -17.100
   47    H1*    G 521           H1*        G 521 -14.662  11.753 -18.772
   48    H8     G 521           H8         G 521 -11.111  10.312 -18.498
   49    H1     G 521           H1         G 521 -15.607   6.266 -20.799
   50   1H2     G 521          1H2         G 521 -17.443   7.206 -20.802
   51   2H2     G 521          2H2         G 521 -17.722   8.846 -20.261
   52   1H5*    C 522          1H5*        C 522 -10.612  14.873 -13.139
   53   2H5*    C 522          2H5*        C 522 -10.734  13.763 -11.775
   54    H4*    C 522           H4*        C 522 -11.610  16.172 -11.513
   55    H3*    C 522           H3*        C 522 -13.057  13.691 -10.616
   56    H2*    C 522           H2*        C 522 -14.776  15.020  -9.692
   57   2HO*    C 522          2HO*        C 522 -13.213  16.533  -8.867
   58    H1*    C 522           H1*        C 522 -14.728  16.780 -11.979
   59   1H4     C 522          1H4         C 522 -20.170  13.534 -12.676
   60   2H4     C 522          2H4         C 522 -19.265  12.088 -13.065
   61    H5     C 522           H5         C 522 -16.909  11.951 -12.994
   62    H6     C 522           H6         C 522 -14.819  13.181 -12.527
   63   1H5*    U 523          1H5*        U 523 -13.659  14.577  -7.997
   64   2H5*    U 523          2H5*        U 523 -12.891  14.407  -6.419
   65    H4*    U 523           H4*        U 523 -15.317  13.688  -6.611
   66    H3*    U 523           H3*        U 523 -13.169  11.949  -5.420
   67    H2*    U 523           H2*        U 523 -14.797  10.332  -4.845
   68   2HO*    U 523          2HO*        U 523 -16.758  12.164  -5.861
   69    H1*    U 523           H1*        U 523 -16.098  10.590  -7.381
   70    H3     U 523           H3         U 523 -14.775   6.423  -8.266
   71    H5     U 523           H5         U 523 -11.217   8.219  -6.981
   72    H6     U 523           H6         U 523 -12.507  10.270  -6.598
   73   1H    ALA   1           HN       ALA   1   1.884   0.000   0.829
   74    HA   ALA   1           HA       ALA   1   2.723  -0.875  -1.242
   75   1HB   ALA   1          1HB       ALA   1   0.080  -0.019  -2.062
   76   2HB   ALA   1          2HB       ALA   1   1.309   0.685  -3.139
   77   3HB   ALA   1          3HB       ALA   1   1.232  -1.078  -2.910
   78    H    THR   2           HN       THR   2   4.025   0.482  -2.880
   79    HA   THR   2           HA       THR   2   4.669   3.036  -1.573
   80    HB   THR   2           HB       THR   2   6.442   1.257  -1.628
   81    HG1  THR   2           HG1      THR   2   6.889   3.611  -1.882
   82   1HG2  THR   2          1HG2      THR   2   7.192   1.554  -4.403
   83   2HG2  THR   2          2HG2      THR   2   6.827   0.049  -3.526
   84   3HG2  THR   2          3HG2      THR   2   5.523   0.938  -4.349
   85    H    VAL   3           HN       VAL   3   4.620   4.957  -2.645
   86    HA   VAL   3           HA       VAL   3   4.303   4.929  -5.517
   87    HB   VAL   3           HB       VAL   3   2.024   4.591  -4.683
   88   1HG1  VAL   3          1HG1      VAL   3   0.888   6.171  -3.290
   89   2HG1  VAL   3          2HG1      VAL   3   2.410   5.744  -2.472
   90   3HG1  VAL   3          3HG1      VAL   3   2.267   7.296  -3.333
   91   1HG2  VAL   3          1HG2      VAL   3   1.003   6.165  -6.076
   92   2HG2  VAL   3          2HG2      VAL   3   2.172   7.441  -5.660
   93   3HG2  VAL   3          3HG2      VAL   3   2.666   6.086  -6.704
   94    H    VAL   4           HN       VAL   4   5.751   6.412  -6.199
   95    HA   VAL   4           HA       VAL   4   5.877   8.931  -4.734
   96    HB   VAL   4           HB       VAL   4   8.229   7.151  -5.394
   97   1HG1  VAL   4          1HG1      VAL   4   8.483   9.836  -4.055
   98   2HG1  VAL   4          2HG1      VAL   4   9.712   8.875  -4.912
   99   3HG1  VAL   4          3HG1      VAL   4   8.442   9.719  -5.830
  100   1HG2  VAL   4          1HG2      VAL   4   7.813   6.381  -3.326
  101   2HG2  VAL   4          2HG2      VAL   4   8.438   7.948  -2.757
  102   3HG2  VAL   4          3HG2      VAL   4   6.686   7.709  -2.960
  103    H    SER   5           HN       SER   5   6.226  10.721  -6.064
  104    HA   SER   5           HA       SER   5   5.958  10.118  -8.863
  105   1HB   SER   5          2HB       SER   5   5.781  12.700  -7.258
  106   2HB   SER   5          3HB       SER   5   5.670  12.669  -9.007
  107    HG   SER   5           HG       SER   5   3.933  10.863  -8.413
  108    H    GLY   6           HN       GLY   6   7.711  10.064 -10.220
  109   1HA   GLY   6          1HA       GLY   6  10.309  10.786  -9.273
  110   2HA   GLY   6          2HA       GLY   6   9.874  10.201 -10.866
  111    H    GLN   7           HN       GLN   7  10.577  11.637 -12.387
  112    HA   GLN   7           HA       GLN   7  10.220  14.457 -11.746
  113   1HB   GLN   7          2HB       GLN   7  12.033  14.909 -13.347
  114   2HB   GLN   7          3HB       GLN   7  12.569  13.769 -12.129
  115   1HG   GLN   7          2HG       GLN   7  11.361  12.669 -14.668
  116   2HG   GLN   7          3HG       GLN   7  12.985  13.323 -14.744
  117   1HE2  GLN   7          1HE2      GLN   7  11.508  10.559 -14.641
  118   2HE2  GLN   7          2HE2      GLN   7  12.519   9.593 -13.619
  119    H    LYS   8           HN       LYS   8   9.723  15.897 -13.699
  120    HA   LYS   8           HA       LYS   8   8.240  14.453 -15.760
  121   1HB   LYS   8          2HB       LYS   8   7.007  15.795 -13.590
  122   2HB   LYS   8          3HB       LYS   8   6.791  16.826 -14.990
  123   1HG   LYS   8          2HG       LYS   8   5.479  15.279 -16.113
  124   2HG   LYS   8          3HG       LYS   8   6.341  13.903 -15.456
  125   1HD   LYS   8          2HD       LYS   8   5.222  14.826 -13.155
  126   2HD   LYS   8          3HD       LYS   8   4.035  15.435 -14.291
  127   1HE   LYS   8          2HE       LYS   8   4.754  12.681 -14.965
  128   2HE   LYS   8          3HE       LYS   8   4.251  12.781 -13.289
  129   1HZ   LYS   8          1HZ       LYS   8   2.230  12.707 -14.176
  130   2HZ   LYS   8          2HZ       LYS   8   2.430  14.295 -14.501
  131   3HZ   LYS   8          3HZ       LYS   8   2.712  13.182 -15.663
  132    H    GLN   9           HN       GLN   9   7.913  15.739 -17.728
  133    HA   GLN   9           HA       GLN   9   9.760  17.994 -17.822
  134   1HB   GLN   9          2HB       GLN   9   9.769  15.495 -19.374
  135   2HB   GLN   9          3HB       GLN   9   9.733  16.906 -20.412
  136   1HG   GLN   9          2HG       GLN   9  11.609  17.664 -18.510
  137   2HG   GLN   9          3HG       GLN   9  11.892  15.938 -18.612
  138   1HE2  GLN   9          1HE2      GLN   9  13.971  16.834 -19.425
  139   2HE2  GLN   9          2HE2      GLN   9  14.148  17.097 -21.128
  140    H    ASP  10           HN       ASP  10   7.148  16.301 -19.716
  141    HA   ASP  10           HA       ASP  10   6.097  18.965 -20.272
  142   1HB   ASP  10          2HB       ASP  10   6.963  17.358 -22.187
  143   2HB   ASP  10          3HB       ASP  10   5.463  16.493 -21.916
  144    H    ARG  11           HN       ARG  11   4.584  19.074 -18.521
  145    HA   ARG  11           HA       ARG  11   3.238  17.113 -17.358
  146   1HB   ARG  11          2HB       ARG  11   3.007  19.954 -17.541
  147   2HB   ARG  11          3HB       ARG  11   1.388  19.336 -17.800
  148   1HG   ARG  11          2HG       ARG  11   2.360  17.776 -15.666
  149   2HG   ARG  11          3HG       ARG  11   2.999  19.373 -15.333
  150   1HD   ARG  11          2HD       ARG  11   0.920  19.629 -14.340
  151   2HD   ARG  11          3HD       ARG  11   0.484  20.121 -15.964
  152    HE   ARG  11           HE       ARG  11   0.254  17.236 -15.593
  153   1HH1  ARG  11          2HH2      ARG  11  -1.389  20.309 -15.102
  154   2HH1  ARG  11          1HH2      ARG  11  -2.973  19.607 -15.094
  155   1HH2  ARG  11          2HH1      ARG  11  -1.835  16.310 -15.582
  156   2HH2  ARG  11          1HH1      ARG  11  -3.228  17.317 -15.369
  157    H    GLN  12           HN       GLN  12   0.861  16.430 -17.526
  158    HA   GLN  12           HA       GLN  12   0.216  16.115 -20.348
  159   1HB   GLN  12          2HB       GLN  12   0.160  14.314 -18.025
  160   2HB   GLN  12          3HB       GLN  12  -1.367  14.311 -18.884
  161   1HG   GLN  12          2HG       GLN  12  -0.454  13.393 -20.808
  162   2HG   GLN  12          3HG       GLN  12   1.085  14.204 -20.600
  163   1HE2  GLN  12          1HE2      GLN  12  -0.709  11.359 -20.166
  164   2HE2  GLN  12          2HE2      GLN  12   0.456  10.406 -19.310
  165    H    GLY  13           HN       GLY  13  -2.285  15.831 -20.732
  166   1HA   GLY  13          1HA       GLY  13  -4.326  16.625 -19.231
  167   2HA   GLY  13          2HA       GLY  13  -3.559  18.169 -19.549
  168    H    GLY  14           HN       GLY  14  -4.307  15.145 -21.441
  169   1HA   GLY  14          1HA       GLY  14  -4.623  16.514 -23.896
  170   2HA   GLY  14          2HA       GLY  14  -5.114  14.874 -23.525
  171    H    GLU  15           HN       GLU  15  -6.316  17.698 -24.657
  172    HA   GLU  15           HA       GLU  15  -8.959  16.939 -24.111
  173   1HB   GLU  15          2HB       GLU  15  -7.895  18.462 -22.060
  174   2HB   GLU  15          3HB       GLU  15  -8.620  19.698 -23.068
  175   1HG   GLU  15          2HG       GLU  15 -10.803  18.736 -22.896
  176   2HG   GLU  15          3HG       GLU  15 -10.179  17.189 -22.358
  177    H    ARG  16           HN       ARG  16  -9.426  17.077 -26.295
  178    HA   ARG  16           HA       ARG  16  -9.881  19.603 -27.345
  179   1HB   ARG  16          2HB       ARG  16  -7.221  19.067 -27.580
  180   2HB   ARG  16          3HB       ARG  16  -7.780  18.253 -29.028
  181   1HG   ARG  16          2HG       ARG  16  -9.133  20.785 -28.919
  182   2HG   ARG  16          3HG       ARG  16  -7.444  21.096 -28.569
  183   1HD   ARG  16          2HD       ARG  16  -6.783  20.603 -30.708
  184   2HD   ARG  16          3HD       ARG  16  -7.805  19.183 -30.798
  185    HE   ARG  16           HE       ARG  16  -9.285  21.721 -30.887
  186   1HH1  ARG  16          2HH2      ARG  16  -7.655  19.238 -32.775
  187   2HH1  ARG  16          1HH2      ARG  16  -8.505  19.612 -34.237
  188   1HH2  ARG  16          2HH1      ARG  16 -10.407  22.214 -32.816
  189   2HH2  ARG  16          1HH1      ARG  16 -10.081  21.316 -34.261
  190    H    ARG  17           HN       ARG  17 -11.927  18.484 -27.664
  191    HA   ARG  17           HA       ARG  17 -13.409  17.423 -28.824
  192   1HB   ARG  17          2HB       ARG  17 -11.539  18.216 -30.770
  193   2HB   ARG  17          3HB       ARG  17 -11.772  16.514 -31.117
  194   1HG   ARG  17          2HG       ARG  17 -14.234  18.170 -30.591
  195   2HG   ARG  17          3HG       ARG  17 -13.406  18.418 -32.116
  196   1HD   ARG  17          2HD       ARG  17 -13.453  15.794 -32.321
  197   2HD   ARG  17          3HD       ARG  17 -14.670  15.862 -31.062
  198    HE   ARG  17           HE       ARG  17 -15.634  17.706 -32.836
  199   1HH1  ARG  17          2HH2      ARG  17 -14.456  14.421 -33.287
  200   2HH1  ARG  17          1HH2      ARG  17 -15.468  14.110 -34.658
  201   1HH2  ARG  17          2HH1      ARG  17 -16.970  17.296 -34.644
  202   2HH2  ARG  17          1HH1      ARG  17 -16.908  15.756 -35.435
  203    H    ARG  18           HN       ARG  18 -14.230  15.332 -28.599
  204    HA   ARG  18           HA       ARG  18 -12.309  13.172 -28.754
  205   1HB   ARG  18          2HB       ARG  18 -13.341  12.145 -26.677
  206   2HB   ARG  18          3HB       ARG  18 -12.452  13.622 -26.361
  207   1HG   ARG  18          2HG       ARG  18 -14.886  14.724 -26.810
  208   2HG   ARG  18          3HG       ARG  18 -15.421  13.137 -26.293
  209   1HD   ARG  18          2HD       ARG  18 -15.113  13.790 -24.140
  210   2HD   ARG  18          3HD       ARG  18 -13.388  13.854 -24.443
  211    HE   ARG  18           HE       ARG  18 -14.190  16.263 -25.452
  212   1HH1  ARG  18          2HH2      ARG  18 -14.910  14.657 -22.405
  213   2HH1  ARG  18          1HH2      ARG  18 -15.114  16.135 -21.526
  214   1HH2  ARG  18          2HH1      ARG  18 -14.460  18.214 -24.293
  215   2HH2  ARG  18          1HH1      ARG  18 -14.857  18.173 -22.608
  216    H    SER  19           HN       SER  19 -14.192  13.957 -30.731
  217    HA   SER  19           HA       SER  19 -15.727  13.136 -32.027
  218   1HB   SER  19          2HB       SER  19 -14.609  10.843 -30.806
  219   2HB   SER  19          3HB       SER  19 -16.341  10.590 -30.714
  220    HG   SER  19           HG       SER  19 -16.392  10.211 -32.817
  221    H    GLN  20           HN       GLN  20 -16.768  11.417 -29.001
  222    HA   GLN  20           HA       GLN  20 -18.707  13.335 -28.372
  223   1HB   GLN  20          2HB       GLN  20 -19.535  11.815 -30.498
  224   2HB   GLN  20          3HB       GLN  20 -20.125  10.834 -29.171
  225   1HG   GLN  20          2HG       GLN  20 -21.921  12.236 -29.145
  226   2HG   GLN  20          3HG       GLN  20 -20.861  13.379 -28.344
  227   1HE2  GLN  20          1HE2      GLN  20 -22.345  14.920 -29.333
  228   2HE2  GLN  20          2HE2      GLN  20 -22.049  15.488 -30.942
  229    H    LEU  21           HN       LEU  21 -16.530  11.780 -27.151
  230    HA   LEU  21           HA       LEU  21 -17.165   9.576 -25.763
  231   1HB   LEU  21          2HB       LEU  21 -15.098  11.218 -25.769
  232   2HB   LEU  21          3HB       LEU  21 -15.839  11.814 -24.297
  233    HG   LEU  21           HG       LEU  21 -14.772   9.047 -24.860
  234   1HD1  LEU  21          1HD1      LEU  21 -12.958   9.977 -23.956
  235   2HD1  LEU  21          2HD1      LEU  21 -13.861  11.401 -23.386
  236   3HD1  LEU  21          3HD1      LEU  21 -13.838   9.913 -22.410
  237   1HD2  LEU  21          1HD2      LEU  21 -15.661   8.240 -22.795
  238   2HD2  LEU  21          2HD2      LEU  21 -16.325   9.840 -22.386
  239   3HD2  LEU  21          3HD2      LEU  21 -17.009   8.912 -23.742
  240    H    ASP  22           HN       ASP  22 -19.125   9.089 -24.898
  241    HA   ASP  22           HA       ASP  22 -20.671  11.132 -23.684
  242   1HB   ASP  22          2HB       ASP  22 -21.000   8.098 -23.811
  243   2HB   ASP  22          3HB       ASP  22 -22.202   9.171 -23.122
  244    H    ARG  23           HN       ARG  23 -21.410  11.020 -21.363
  245    HA   ARG  23           HA       ARG  23 -19.271  10.591 -19.654
  246   1HB   ARG  23          2HB       ARG  23 -22.183  11.294 -19.365
  247   2HB   ARG  23          3HB       ARG  23 -21.372  10.721 -17.921
  248   1HG   ARG  23          2HG       ARG  23 -20.487  13.068 -19.664
  249   2HG   ARG  23          3HG       ARG  23 -21.221  13.184 -18.078
  250   1HD   ARG  23          2HD       ARG  23 -19.028  11.431 -17.707
  251   2HD   ARG  23          3HD       ARG  23 -18.418  12.668 -18.788
  252    HE   ARG  23           HE       ARG  23 -19.903  13.908 -16.655
  253   1HH1  ARG  23          2HH2      ARG  23 -16.849  12.277 -17.283
  254   2HH1  ARG  23          1HH2      ARG  23 -16.009  13.082 -16.000
  255   1HH2  ARG  23          2HH1      ARG  23 -18.796  14.970 -14.962
  256   2HH2  ARG  23          1HH1      ARG  23 -17.124  14.624 -14.671
  257    H    ASP  24           HN       ASP  24 -21.370   8.370 -21.134
  258    HA   ASP  24           HA       ASP  24 -20.861   6.455 -18.995
  259   1HB   ASP  24          2HB       ASP  24 -22.962   5.277 -19.778
  260   2HB   ASP  24          3HB       ASP  24 -23.248   6.840 -19.038
  261    H    GLN  25           HN       GLN  25 -19.234   7.205 -21.390
  262    HA   GLN  25           HA       GLN  25 -19.560   4.761 -22.949
  263   1HB   GLN  25          2HB       GLN  25 -19.083   7.550 -23.717
  264   2HB   GLN  25          3HB       GLN  25 -17.851   6.493 -24.378
  265   1HG   GLN  25          2HG       GLN  25 -20.442   5.210 -24.663
  266   2HG   GLN  25          3HG       GLN  25 -20.545   6.842 -25.294
  267   1HE2  GLN  25          1HE2      GLN  25 -20.879   4.962 -27.070
  268   2HE2  GLN  25          2HE2      GLN  25 -19.508   4.730 -28.102
  269    H    CYS  26           HN       CYS  26 -17.167   4.366 -24.120
  270    HA   CYS  26           HA       CYS  26 -15.287   4.363 -21.870
  271   1HB   CYS  26          2HB       CYS  26 -16.052   2.104 -22.233
  272   2HB   CYS  26          3HB       CYS  26 -15.770   2.219 -23.959
  273    H    ALA  27           HN       ALA  27 -13.262   5.249 -22.313
  274    HA   ALA  27           HA       ALA  27 -12.884   6.211 -25.052
  275   1HB   ALA  27          1HB       ALA  27 -11.088   7.620 -23.797
  276   2HB   ALA  27          2HB       ALA  27 -12.805   8.025 -23.555
  277   3HB   ALA  27          3HB       ALA  27 -11.928   7.090 -22.320
  278    H    TYR  28           HN       TYR  28 -12.508   3.411 -24.496
  279    HA   TYR  28           HA       TYR  28  -9.604   3.272 -24.911
  280   1HB   TYR  28          2HB       TYR  28 -10.851   2.494 -22.604
  281   2HB   TYR  28          3HB       TYR  28 -11.234   1.078 -23.563
  282    HD1  TYR  28           HD1      TYR  28  -8.197   3.219 -22.965
  283    HD2  TYR  28           HD2      TYR  28  -9.830  -0.727 -23.226
  284    HE1  TYR  28           HE1      TYR  28  -5.916   2.231 -22.427
  285    HE2  TYR  28           HE2      TYR  28  -7.545  -1.701 -22.688
  286    HH   TYR  28           HH       TYR  28  -5.119   0.027 -21.356
  287    H    CYS  29           HN       CYS  29 -12.746   1.456 -25.130
  288    HA   CYS  29           HA       CYS  29 -11.694   0.263 -27.587
  289   1HB   CYS  29          2HB       CYS  29 -13.292  -1.552 -27.249
  290   2HB   CYS  29          3HB       CYS  29 -12.244  -1.381 -25.855
  291    H    LYS  30           HN       LYS  30 -14.030   2.413 -26.105
  292    HA   LYS  30           HA       LYS  30 -15.295   3.936 -27.196
  293   1HB   LYS  30          2HB       LYS  30 -13.985   3.028 -29.352
  294   2HB   LYS  30          3HB       LYS  30 -15.564   2.361 -29.716
  295   1HG   LYS  30          2HG       LYS  30 -15.989   4.428 -30.602
  296   2HG   LYS  30          3HG       LYS  30 -16.288   4.893 -28.938
  297   1HD   LYS  30          2HD       LYS  30 -13.415   4.958 -29.687
  298   2HD   LYS  30          3HD       LYS  30 -14.404   6.063 -30.620
  299   1HE   LYS  30          2HE       LYS  30 -14.440   5.913 -27.568
  300   2HE   LYS  30          3HE       LYS  30 -13.473   7.057 -28.477
  301   1HZ   LYS  30          1HZ       LYS  30 -15.243   8.319 -28.714
  302   2HZ   LYS  30          2HZ       LYS  30 -16.112   7.118 -29.399
  303   3HZ   LYS  30          3HZ       LYS  30 -16.113   7.303 -27.776
  304    H    GLU  31           HN       GLU  31 -15.898   1.395 -25.664
  305    HA   GLU  31           HA       GLU  31 -18.395   0.560 -26.768
  306   1HB   GLU  31          2HB       GLU  31 -17.013  -1.086 -25.616
  307   2HB   GLU  31          3HB       GLU  31 -16.952  -0.103 -24.167
  308   1HG   GLU  31          2HG       GLU  31 -18.606  -1.895 -23.870
  309   2HG   GLU  31          3HG       GLU  31 -19.424  -0.345 -23.891
  310    H    LYS  32           HN       LYS  32 -20.470   0.692 -25.517
  311    HA   LYS  32           HA       LYS  32 -20.538   3.171 -23.939
  312   1HB   LYS  32          2HB       LYS  32 -21.603   3.408 -26.143
  313   2HB   LYS  32          3HB       LYS  32 -22.650   2.045 -25.802
  314   1HG   LYS  32          2HG       LYS  32 -22.912   3.774 -23.556
  315   2HG   LYS  32          3HG       LYS  32 -22.921   4.829 -24.956
  316   1HD   LYS  32          2HD       LYS  32 -24.574   2.349 -25.214
  317   2HD   LYS  32          3HD       LYS  32 -25.137   3.502 -24.020
  318   1HE   LYS  32          2HE       LYS  32 -24.401   5.007 -26.358
  319   2HE   LYS  32          3HE       LYS  32 -25.354   3.643 -26.907
  320   1HZ   LYS  32          1HZ       LYS  32 -27.135   4.303 -25.642
  321   2HZ   LYS  32          2HZ       LYS  32 -26.249   5.217 -24.619
  322   3HZ   LYS  32          3HZ       LYS  32 -26.539   5.740 -26.139
  323    H    GLY  33           HN       GLY  33 -20.817   2.759 -21.819
  324   1HA   GLY  33          1HA       GLY  33 -22.792   1.801 -20.459
  325   2HA   GLY  33          2HA       GLY  33 -22.190   0.270 -21.063
  326    H    HIS  34           HN       HIS  34 -19.457   0.432 -20.972
  327    HA   HIS  34           HA       HIS  34 -19.016   0.784 -18.111
  328   1HB   HIS  34          2HB       HIS  34 -17.242  -0.799 -18.311
  329   2HB   HIS  34          3HB       HIS  34 -18.653  -1.458 -19.115
  330    HD1  HIS  34           HD1      HIS  34 -18.212  -2.431 -21.371
  331    HD2  HIS  34           HD2      HIS  34 -15.395   0.503 -20.344
  332    HE1  HIS  34           HE1      HIS  34 -16.509  -2.379 -23.270
  333    H    TRP  35           HN       TRP  35 -16.696   1.505 -17.516
  334    HA   TRP  35           HA       TRP  35 -16.087   3.822 -19.199
  335   1HB   TRP  35          2HB       TRP  35 -15.887   3.218 -16.294
  336   2HB   TRP  35          3HB       TRP  35 -14.661   4.263 -16.982
  337    HD1  TRP  35           HD1      TRP  35 -18.454   4.301 -17.903
  338    HE1  TRP  35           HE1      TRP  35 -19.495   6.683 -17.447
  339    HE3  TRP  35           HE3      TRP  35 -14.267   6.315 -15.837
  340    HZ2  TRP  35           HZ2      TRP  35 -18.474   9.087 -16.298
  341    HZ3  TRP  35           HZ3      TRP  35 -14.373   8.686 -15.074
  342    HH2  TRP  35           HH2      TRP  35 -16.384  10.061 -15.277
  343    H    ALA  36           HN       ALA  36 -13.686   4.341 -19.410
  344    HA   ALA  36           HA       ALA  36 -12.346   2.178 -20.533
  345   1HB   ALA  36          1HB       ALA  36 -11.865   4.421 -21.237
  346   2HB   ALA  36          2HB       ALA  36 -11.446   4.921 -19.582
  347   3HB   ALA  36          3HB       ALA  36 -10.385   3.800 -20.468
  348    H    LYS  37           HN       LYS  37 -12.254   3.639 -17.252
  349    HA   LYS  37           HA       LYS  37 -10.024   2.118 -16.399
  350   1HB   LYS  37          2HB       LYS  37 -12.165   3.651 -14.901
  351   2HB   LYS  37          3HB       LYS  37 -10.803   2.875 -14.119
  352   1HG   LYS  37          2HG       LYS  37  -9.554   4.713 -14.561
  353   2HG   LYS  37          3HG       LYS  37  -9.669   4.342 -16.269
  354   1HD   LYS  37          2HD       LYS  37 -11.248   5.967 -16.657
  355   2HD   LYS  37          3HD       LYS  37 -12.103   5.640 -15.163
  356   1HE   LYS  37          2HE       LYS  37  -9.385   7.007 -15.136
  357   2HE   LYS  37          3HE       LYS  37 -10.851   7.929 -15.404
  358   1HZ   LYS  37          1HZ       LYS  37 -11.505   7.619 -13.297
  359   2HZ   LYS  37          2HZ       LYS  37 -10.895   6.109 -13.171
  360   3HZ   LYS  37          3HZ       LYS  37  -9.911   7.403 -13.017
  361    H    ASP  38           HN       ASP  38 -13.170   1.226 -17.269
  362    HA   ASP  38           HA       ASP  38 -12.936  -1.128 -15.565
  363   1HB   ASP  38          2HB       ASP  38 -14.990   0.719 -15.464
  364   2HB   ASP  38          3HB       ASP  38 -15.633  -0.422 -16.628
  365    H    CYS  39           HN       CYS  39 -12.131  -0.236 -18.470
  366    HA   CYS  39           HA       CYS  39 -13.830  -1.623 -20.229
  367   1HB   CYS  39          2HB       CYS  39 -12.286   0.226 -20.892
  368   2HB   CYS  39          3HB       CYS  39 -10.923  -0.845 -20.636
  369    HA   PRO  40           HA       PRO  40 -12.323  -5.626 -19.290
  370   1HB   PRO  40          2HB       PRO  40 -13.698  -7.033 -21.188
  371   2HB   PRO  40          3HB       PRO  40 -14.392  -6.571 -19.646
  372   1HG   PRO  40          2HG       PRO  40 -14.881  -5.411 -22.321
  373   2HG   PRO  40          3HG       PRO  40 -15.849  -5.266 -20.868
  374   1HD   PRO  40          2HD       PRO  40 -14.096  -3.280 -21.967
  375   2HD   PRO  40          3HD       PRO  40 -14.974  -3.180 -20.455
  376    H    LYS  41           HN       LYS  41 -11.429  -3.758 -21.786
  377    HA   LYS  41           HA       LYS  41  -9.779  -5.895 -22.931
  378   1HB   LYS  41          2HB       LYS  41 -11.340  -4.587 -24.430
  379   2HB   LYS  41          3HB       LYS  41 -10.367  -3.166 -24.107
  380   1HG   LYS  41          2HG       LYS  41  -8.384  -4.929 -24.778
  381   2HG   LYS  41          3HG       LYS  41  -9.699  -5.602 -25.719
  382   1HD   LYS  41          2HD       LYS  41  -9.935  -3.670 -27.043
  383   2HD   LYS  41          3HD       LYS  41  -9.258  -2.616 -25.818
  384   1HE   LYS  41          2HE       LYS  41  -7.558  -2.783 -27.494
  385   2HE   LYS  41          3HE       LYS  41  -7.009  -3.819 -26.191
  386   1HZ   LYS  41          1HZ       LYS  41  -8.617  -4.918 -28.366
  387   2HZ   LYS  41          2HZ       LYS  41  -7.005  -4.725 -28.544
  388   3HZ   LYS  41          3HZ       LYS  41  -7.587  -5.695 -27.365
  389    H    LYS  42           HN       LYS  42  -9.590  -4.033 -20.355
  390    HA   LYS  42           HA       LYS  42  -7.238  -2.513 -20.868
  391   1HB   LYS  42          2HB       LYS  42  -9.084  -3.004 -18.629
  392   2HB   LYS  42          3HB       LYS  42  -7.418  -2.785 -18.132
  393   1HG   LYS  42          2HG       LYS  42  -7.629  -0.769 -19.985
  394   2HG   LYS  42          3HG       LYS  42  -9.287  -0.837 -19.420
  395   1HD   LYS  42          2HD       LYS  42  -8.754  -0.052 -17.320
  396   2HD   LYS  42          3HD       LYS  42  -7.248  -0.947 -17.250
  397   1HE   LYS  42          2HE       LYS  42  -6.043   0.717 -18.436
  398   2HE   LYS  42          3HE       LYS  42  -7.488   1.393 -19.161
  399   1HZ   LYS  42          1HZ       LYS  42  -6.881   2.842 -17.473
  400   2HZ   LYS  42          2HZ       LYS  42  -8.126   2.006 -16.827
  401   3HZ   LYS  42          3HZ       LYS  42  -6.592   1.657 -16.387
  402    HA   PRO  43           HA       PRO  43  -4.277  -5.581 -20.209
  403   1HB   PRO  43          2HB       PRO  43  -2.143  -4.127 -19.315
  404   2HB   PRO  43          3HB       PRO  43  -2.588  -4.234 -21.006
  405   1HG   PRO  43          2HG       PRO  43  -2.979  -1.987 -19.126
  406   2HG   PRO  43          3HG       PRO  43  -3.018  -1.972 -20.878
  407   1HD   PRO  43          2HD       PRO  43  -5.276  -1.892 -19.110
  408   2HD   PRO  43          3HD       PRO  43  -5.317  -1.995 -20.859
  409    H    ARG  44           HN       ARG  44  -6.081  -5.973 -18.358
  410    HA   ARG  44           HA       ARG  44  -4.369  -6.373 -16.049
  411   1HB   ARG  44          2HB       ARG  44  -6.279  -5.814 -14.543
  412   2HB   ARG  44          3HB       ARG  44  -5.840  -4.444 -15.544
  413   1HG   ARG  44          2HG       ARG  44  -8.059  -4.360 -16.077
  414   2HG   ARG  44          3HG       ARG  44  -7.703  -5.691 -17.159
  415   1HD   ARG  44          2HD       ARG  44  -8.983  -7.112 -15.931
  416   2HD   ARG  44          3HD       ARG  44  -8.083  -6.739 -14.473
  417    HE   ARG  44           HE       ARG  44  -9.868  -5.403 -13.807
  418   1HH1  ARG  44          2HH2      ARG  44  -9.867  -5.574 -17.321
  419   2HH1  ARG  44          1HH2      ARG  44 -11.310  -4.632 -17.495
  420   1HH2  ARG  44          2HH1      ARG  44 -11.772  -4.160 -14.035
  421   2HH2  ARG  44          1HH1      ARG  44 -12.401  -3.822 -15.613
  422    H    GLY  45           HN       GLY  45  -4.725  -8.375 -14.945
  423   1HA   GLY  45          1HA       GLY  45  -5.404 -10.500 -14.686
  424   2HA   GLY  45          2HA       GLY  45  -6.993  -9.988 -15.218
  425    HA   PRO  46           HA       PRO  46  -7.269 -12.037 -15.137
  426   1HB   PRO  46          2HB       PRO  46  -7.095 -14.754 -15.373
  427   2HB   PRO  46          3HB       PRO  46  -8.374 -13.808 -16.108
  428   1HG   PRO  46          2HG       PRO  46  -6.024 -15.061 -17.392
  429   2HG   PRO  46          3HG       PRO  46  -7.506 -14.491 -18.133
  430   1HD   PRO  46          2HD       PRO  46  -4.957 -13.178 -18.165
  431   2HD   PRO  46          3HD       PRO  46  -6.465 -12.555 -18.805
  432    H    ARG  47           HN       ARG  47  -4.168 -13.342 -16.060
  433    HA   ARG  47           HA       ARG  47  -3.375 -12.934 -13.325
  434   1HB   ARG  47          2HB       ARG  47  -3.152 -15.598 -14.800
  435   2HB   ARG  47          3HB       ARG  47  -2.137 -15.218 -13.423
  436   1HG   ARG  47          2HG       ARG  47  -5.148 -14.904 -13.211
  437   2HG   ARG  47          3HG       ARG  47  -4.423 -16.491 -13.047
  438   1HD   ARG  47          2HD       ARG  47  -3.194 -15.872 -11.097
  439   2HD   ARG  47          3HD       ARG  47  -3.341 -14.158 -11.431
  440    HE   ARG  47           HE       ARG  47  -5.969 -14.907 -11.128
  441   1HH1  ARG  47          2HH2      ARG  47  -3.102 -15.439  -9.158
  442   2HH1  ARG  47          1HH2      ARG  47  -3.981 -15.493  -7.666
  443   1HH2  ARG  47          2HH1      ARG  47  -7.129 -14.977  -9.161
  444   2HH2  ARG  47          1HH1      ARG  47  -6.287 -15.228  -7.668
  445    H    GLY  48           HN       GLY  48  -1.529 -11.696 -13.440
  446   1HA   GLY  48          1HA       GLY  48   0.838 -11.867 -14.179
  447   2HA   GLY  48          2HA       GLY  48   0.213 -12.069 -15.804
  448    HA   PRO  49           HA       PRO  49  -0.603  -7.588 -14.422
  449   1HB   PRO  49          2HB       PRO  49   0.672  -6.662 -12.190
  450   2HB   PRO  49          3HB       PRO  49  -0.985  -7.233 -12.179
  451   1HG   PRO  49          2HG       PRO  49   1.445  -8.577 -11.166
  452   2HG   PRO  49          3HG       PRO  49  -0.233  -8.918 -10.796
  453   1HD   PRO  49          2HD       PRO  49   1.475 -10.413 -12.548
  454   2HD   PRO  49          3HD       PRO  49  -0.233 -10.684 -12.267
  455    H    ARG  50           HN       ARG  50   0.512  -7.384 -16.390
  456    HA   ARG  50           HA       ARG  50   2.794  -5.784 -16.043
  457   1HB   ARG  50          2HB       ARG  50   3.285  -8.589 -16.226
  458   2HB   ARG  50          3HB       ARG  50   3.686  -7.946 -17.806
  459   1HG   ARG  50          2HG       ARG  50   4.699  -6.220 -15.646
  460   2HG   ARG  50          3HG       ARG  50   5.307  -7.857 -15.502
  461   1HD   ARG  50          2HD       ARG  50   5.927  -7.726 -18.000
  462   2HD   ARG  50          3HD       ARG  50   5.545  -6.017 -17.926
  463    HE   ARG  50           HE       ARG  50   7.920  -7.300 -16.856
  464   1HH1  ARG  50          2HH2      ARG  50   5.720  -4.599 -16.358
  465   2HH1  ARG  50          1HH2      ARG  50   6.895  -3.629 -15.534
  466   1HH2  ARG  50          2HH1      ARG  50   9.470  -6.020 -15.768
  467   2HH2  ARG  50          1HH1      ARG  50   9.042  -4.443 -15.196
  468    HA   PRO  51           HA       PRO  51   0.575  -4.962 -19.836
  469   1HB   PRO  51          2HB       PRO  51   0.885  -2.247 -19.800
  470   2HB   PRO  51          3HB       PRO  51  -0.469  -3.067 -19.047
  471   1HG   PRO  51          2HG       PRO  51   1.897  -1.837 -17.770
  472   2HG   PRO  51          3HG       PRO  51   0.360  -2.272 -17.047
  473   1HD   PRO  51          2HD       PRO  51   2.833  -3.706 -16.813
  474   2HD   PRO  51          3HD       PRO  51   1.272  -4.200 -16.189
  475    H    GLN  52           HN       GLN  52   1.202  -3.231 -21.749
  476    HA   GLN  52           HA       GLN  52   2.549  -3.167 -23.472
  477   1HB   GLN  52          2HB       GLN  52   3.478  -1.434 -21.825
  478   2HB   GLN  52          3HB       GLN  52   4.740  -2.587 -21.437
  479   1HG   GLN  52          2HG       GLN  52   5.713  -1.245 -23.136
  480   2HG   GLN  52          3HG       GLN  52   5.213  -2.691 -23.990
  481   1HE2  GLN  52          1HE2      GLN  52   5.642   0.016 -24.962
  482   2HE2  GLN  52          2HE2      GLN  52   4.171   0.543 -25.711
  483    H    THR  53           HN       THR  53   2.517  -5.353 -24.197
  484    HA   THR  53           HA       THR  53   4.217  -7.325 -23.066
  485    HB   THR  53           HB       THR  53   2.593  -7.077 -25.646
  486    HG1  THR  53           HG1      THR  53   1.429  -8.758 -24.240
  487   1HG2  THR  53          1HG2      THR  53   4.611  -8.798 -25.655
  488   2HG2  THR  53          2HG2      THR  53   3.622  -9.682 -24.468
  489   3HG2  THR  53          3HG2      THR  53   2.987  -9.374 -26.102
  490    H    SER  54           HN       SER  54   6.064  -8.367 -24.009
  491    HA   SER  54           HA       SER  54   7.618  -6.429 -25.523
  492   1HB   SER  54          2HB       SER  54   8.196  -8.088 -23.237
  493   2HB   SER  54          3HB       SER  54   9.237  -8.604 -24.550
  494    HG   SER  54           HG       SER  54  10.430  -6.879 -24.169
  495    H    LEU  55           HN       LEU  55   7.037 -10.006 -25.183
  496    HA   LEU  55           HA       LEU  55   8.062 -10.401 -27.867
  497   1HB   LEU  55          2HB       LEU  55   8.666 -11.854 -25.915
  498   2HB   LEU  55          3HB       LEU  55   7.010 -12.427 -25.892
  499    HG   LEU  55           HG       LEU  55   8.333 -12.646 -28.522
  500   1HD1  LEU  55          1HD1      LEU  55   9.294 -14.916 -27.186
  501   2HD1  LEU  55          2HD1      LEU  55  10.241 -13.570 -27.865
  502   3HD1  LEU  55          3HD1      LEU  55   9.741 -13.534 -26.158
  503   1HD2  LEU  55          1HD2      LEU  55   6.748 -14.174 -28.807
  504   2HD2  LEU  55          2HD2      LEU  55   7.290 -15.090 -27.381
  505   3HD2  LEU  55          3HD2      LEU  55   6.129 -13.755 -27.192
  506    H    LEU  56           HN       LEU  56   6.826 -11.192 -29.620
  507    HA   LEU  56           HA       LEU  56   4.045 -10.442 -29.442
  508   1HB   LEU  56          2HB       LEU  56   6.060 -10.480 -31.436
  509   2HB   LEU  56          3HB       LEU  56   4.789 -11.562 -31.971
  510    HG   LEU  56           HG       LEU  56   3.246  -9.493 -31.257
  511   1HD1  LEU  56          1HD1      LEU  56   4.398  -7.381 -32.017
  512   2HD1  LEU  56          2HD1      LEU  56   4.919  -8.022 -30.440
  513   3HD1  LEU  56          3HD1      LEU  56   5.938  -8.264 -31.879
  514   1HD2  LEU  56          1HD2      LEU  56   3.709  -8.668 -33.732
  515   2HD2  LEU  56          2HD2      LEU  56   4.642 -10.182 -33.806
  516   3HD2  LEU  56          3HD2      LEU  56   2.911 -10.223 -33.394
  Start of MODEL    2
    1   1H5*    U 517          1H5*        U 517  -1.598   0.507 -31.044
    2   2H5*    U 517          2H5*        U 517  -1.951   1.155 -29.443
    3    H4*    U 517           H4*        U 517  -2.966   2.408 -31.362
    4    H3*    U 517           H3*        U 517  -4.633   1.359 -29.091
    5    H2*    U 517           H2*        U 517  -6.565   2.323 -30.027
    6   2HO*    U 517          2HO*        U 517  -4.804   3.530 -31.951
    7    H1*    U 517           H1*        U 517  -5.722   1.590 -32.699
    8    H3     U 517           H3         U 517  -9.921  -0.156 -32.151
    9    H5     U 517           H5         U 517  -7.374  -2.777 -30.106
   10    H6     U 517           H6         U 517  -5.578  -1.143 -30.452
   11   1H5*    U 518          1H5*        U 518  -4.672   5.342 -29.254
   12   2H5*    U 518          2H5*        U 518  -4.878   6.524 -27.961
   13    H4*    U 518           H4*        U 518  -6.932   6.551 -29.015
   14    H3*    U 518           H3*        U 518  -7.066   4.725 -26.631
   15    H2*    U 518           H2*        U 518  -9.333   4.273 -27.066
   16   2HO*    U 518          2HO*        U 518  -9.443   6.070 -29.234
   17    H1*    U 518           H1*        U 518  -8.839   4.194 -29.921
   18    H3     U 518           H3         U 518 -10.531   0.055 -29.563
   19    H5     U 518           H5         U 518  -7.247  -0.061 -26.965
   20    H6     U 518           H6         U 518  -6.930   2.328 -27.418
   21   1H5*    U 519          1H5*        U 519  -9.294   7.503 -24.238
   22   2H5*    U 519          2H5*        U 519  -8.048   8.472 -23.452
   23    H4*    U 519           H4*        U 519  -9.840   7.094 -22.077
   24    H3*    U 519           H3*        U 519  -6.964   7.640 -21.396
   25    H2*    U 519           H2*        U 519  -7.220   6.460 -19.351
   26   2HO*    U 519          2HO*        U 519  -9.232   6.777 -18.600
   27    H1*    U 519           H1*        U 519  -8.458   4.260 -20.544
   28    H3     U 519           H3         U 519  -4.146   3.243 -19.176
   29    H5     U 519           H5         U 519  -3.869   4.474 -23.170
   30    H6     U 519           H6         U 519  -6.202   5.207 -23.003
   31   1H5*    U 520          1H5*        U 520  -6.118  10.866 -20.805
   32   2H5*    U 520          2H5*        U 520  -6.311  12.122 -19.581
   33    H4*    U 520           H4*        U 520  -6.493  13.406 -21.440
   34    H3*    U 520           H3*        U 520  -9.305  12.417 -20.954
   35    H2*    U 520           H2*        U 520 -10.034  13.784 -22.740
   36   2HO*    U 520          2HO*        U 520  -8.903  15.641 -22.574
   37    H1*    U 520           H1*        U 520  -7.741  13.054 -24.321
   38    H3     U 520           H3         U 520  -9.901  10.119 -26.966
   39    H5     U 520           H5         U 520 -12.498  10.557 -23.710
   40    H6     U 520           H6         U 520 -10.772  11.933 -22.644
   41   1H5*    G 521          1H5*        G 521 -12.655  15.428 -19.738
   42   2H5*    G 521          2H5*        G 521 -11.874  15.565 -18.163
   43    H4*    G 521           H4*        G 521 -14.004  14.242 -18.206
   44    H3*    G 521           H3*        G 521 -11.458  12.976 -17.174
   45    H2*    G 521           H2*        G 521 -12.688  11.114 -16.547
   46   2HO*    G 521          2HO*        G 521 -14.930  12.915 -16.743
   47    H1*    G 521           H1*        G 521 -14.670  11.690 -18.677
   48    H8     G 521           H8         G 521 -11.103  10.269 -18.455
   49    H1     G 521           H1         G 521 -15.572   6.279 -20.904
   50   1H2     G 521          1H2         G 521 -17.402   7.227 -20.929
   51   2H2     G 521          2H2         G 521 -17.685   8.860 -20.368
   52   1H5*    C 522          1H5*        C 522 -12.886  16.652 -13.089
   53   2H5*    C 522          2H5*        C 522 -11.169  16.290 -13.269
   54    H4*    C 522           H4*        C 522 -11.598  16.462 -10.951
   55    H3*    C 522           H3*        C 522 -11.222  13.626 -11.879
   56    H2*    C 522           H2*        C 522 -11.408  12.858  -9.654
   57   2HO*    C 522          2HO*        C 522 -11.362  15.677  -9.059
   58    H1*    C 522           H1*        C 522 -13.592  14.652  -9.125
   59   1H4     C 522          1H4         C 522 -16.673   9.119  -9.655
   60   2H4     C 522          2H4         C 522 -15.939   8.816 -11.214
   61    H5     C 522           H5         C 522 -14.371  10.259 -12.233
   62    H6     C 522           H6         C 522 -13.110  12.370 -12.005
   63   1H5*    U 523          1H5*        U 523  -8.462  14.582 -14.247
   64   2H5*    U 523          2H5*        U 523  -7.770  13.027 -13.783
   65    H4*    U 523           H4*        U 523  -6.420  14.415 -15.398
   66    H3*    U 523           H3*        U 523  -5.223  13.390 -12.824
   67    H2*    U 523           H2*        U 523  -3.110  14.142 -13.561
   68   2HO*    U 523          2HO*        U 523  -3.367  13.409 -15.693
   69    H1*    U 523           H1*        U 523  -4.246  16.571 -14.604
   70    H3     U 523           H3         U 523  -1.040  17.728 -11.520
   71    H5     U 523           H5         U 523  -4.472  16.843  -9.288
   72    H6     U 523           H6         U 523  -5.476  15.989 -11.355
   73   1H    ALA   1           HN       ALA   1   7.929  12.175 -37.975
   74    HA   ALA   1           HA       ALA   1   6.730  13.527 -39.466
   75   1HB   ALA   1          1HB       ALA   1   6.362  12.963 -41.718
   76   2HB   ALA   1          2HB       ALA   1   7.990  12.317 -41.403
   77   3HB   ALA   1          3HB       ALA   1   6.587  11.222 -41.419
   78    H    THR   2           HN       THR   2   4.981  13.578 -38.116
   79    HA   THR   2           HA       THR   2   2.948  11.568 -38.534
   80    HB   THR   2           HB       THR   2   4.048  10.386 -36.786
   81    HG1  THR   2           HG1      THR   2   2.065  10.592 -35.805
   82   1HG2  THR   2          1HG2      THR   2   5.764  12.005 -36.103
   83   2HG2  THR   2          2HG2      THR   2   4.519  13.132 -35.516
   84   3HG2  THR   2          3HG2      THR   2   4.795  11.592 -34.668
   85    H    VAL   3           HN       VAL   3   1.136  12.669 -38.890
   86    HA   VAL   3           HA       VAL   3   0.457  14.816 -37.086
   87    HB   VAL   3           HB       VAL   3   0.898  15.256 -40.043
   88   1HG1  VAL   3          1HG1      VAL   3  -1.255  16.246 -38.972
   89   2HG1  VAL   3          2HG1      VAL   3  -0.137  17.363 -38.153
   90   3HG1  VAL   3          3HG1      VAL   3  -0.200  17.311 -39.931
   91   1HG2  VAL   3          1HG2      VAL   3   2.950  15.488 -38.828
   92   2HG2  VAL   3          2HG2      VAL   3   2.357  17.126 -39.195
   93   3HG2  VAL   3          3HG2      VAL   3   2.159  16.455 -37.559
   94    H    VAL   4           HN       VAL   4  -1.770  15.003 -36.845
   95    HA   VAL   4           HA       VAL   4  -3.363  13.342 -38.671
   96    HB   VAL   4           HB       VAL   4  -2.923  12.282 -36.454
   97   1HG1  VAL   4          1HG1      VAL   4  -3.754  13.151 -34.437
   98   2HG1  VAL   4          2HG1      VAL   4  -3.011  14.557 -35.239
   99   3HG1  VAL   4          3HG1      VAL   4  -4.779  14.349 -35.265
  100   1HG2  VAL   4          1HG2      VAL   4  -4.785  11.319 -37.337
  101   2HG2  VAL   4          2HG2      VAL   4  -5.568  12.137 -35.964
  102   3HG2  VAL   4          3HG2      VAL   4  -5.612  12.876 -37.584
  103    H    SER   5           HN       SER   5  -5.340  14.211 -39.337
  104    HA   SER   5           HA       SER   5  -6.238  16.616 -38.069
  105   1HB   SER   5          2HB       SER   5  -6.112  18.048 -39.992
  106   2HB   SER   5          3HB       SER   5  -4.519  17.345 -39.796
  107    HG   SER   5           HG       SER   5  -4.696  16.578 -41.776
  108    H    GLY   6           HN       GLY   6  -8.486  17.048 -38.541
  109   1HA   GLY   6          1HA       GLY   6  -9.868  15.550 -40.564
  110   2HA   GLY   6          2HA       GLY   6 -10.142  14.923 -38.950
  111    H    GLN   7           HN       GLN   7 -12.308  15.937 -40.348
  112    HA   GLN   7           HA       GLN   7 -12.631  18.674 -39.521
  113   1HB   GLN   7          2HB       GLN   7 -14.314  16.748 -41.162
  114   2HB   GLN   7          3HB       GLN   7 -14.947  18.298 -40.646
  115   1HG   GLN   7          2HG       GLN   7 -12.275  18.103 -42.087
  116   2HG   GLN   7          3HG       GLN   7 -13.780  18.150 -42.984
  117   1HE2  GLN   7          1HE2      GLN   7 -14.213  20.069 -43.727
  118   2HE2  GLN   7          2HE2      GLN   7 -13.952  21.590 -42.941
  119    H    LYS   8           HN       LYS   8 -13.984  19.389 -37.853
  120    HA   LYS   8           HA       LYS   8 -15.918  17.722 -36.659
  121   1HB   LYS   8          2HB       LYS   8 -13.172  17.606 -35.569
  122   2HB   LYS   8          3HB       LYS   8 -14.419  17.925 -34.381
  123   1HG   LYS   8          2HG       LYS   8 -15.120  15.770 -34.452
  124   2HG   LYS   8          3HG       LYS   8 -15.364  15.858 -36.186
  125   1HD   LYS   8          2HD       LYS   8 -13.373  14.821 -36.652
  126   2HD   LYS   8          3HD       LYS   8 -12.505  15.707 -35.415
  127   1HE   LYS   8          2HE       LYS   8 -13.000  14.146 -33.740
  128   2HE   LYS   8          3HE       LYS   8 -14.499  13.642 -34.496
  129   1HZ   LYS   8          1HZ       LYS   8 -12.749  11.996 -34.696
  130   2HZ   LYS   8          2HZ       LYS   8 -13.239  12.508 -36.167
  131   3HZ   LYS   8          3HZ       LYS   8 -11.823  13.035 -35.549
  132    H    GLN   9           HN       GLN   9 -17.455  19.130 -36.026
  133    HA   GLN   9           HA       GLN   9 -16.499  21.769 -35.225
  134   1HB   GLN   9          2HB       GLN   9 -18.593  22.696 -36.118
  135   2HB   GLN   9          3HB       GLN   9 -17.749  21.801 -37.365
  136   1HG   GLN   9          2HG       GLN   9 -19.238  19.764 -36.514
  137   2HG   GLN   9          3HG       GLN   9 -20.254  21.029 -35.849
  138   1HE2  GLN   9          1HE2      GLN   9 -21.801  21.737 -37.090
  139   2HE2  GLN   9          2HE2      GLN   9 -21.854  21.728 -38.821
  140    H    ASP  10           HN       ASP  10 -18.249  22.946 -33.778
  141    HA   ASP  10           HA       ASP  10 -19.217  20.943 -31.893
  142   1HB   ASP  10          2HB       ASP  10 -18.446  23.827 -31.266
  143   2HB   ASP  10          3HB       ASP  10 -18.827  22.571 -30.105
  144    H    ARG  11           HN       ARG  11 -21.099  21.997 -30.457
  145    HA   ARG  11           HA       ARG  11 -22.555  24.008 -31.882
  146   1HB   ARG  11          2HB       ARG  11 -23.304  21.125 -31.890
  147   2HB   ARG  11          3HB       ARG  11 -24.612  22.191 -31.417
  148   1HG   ARG  11          2HG       ARG  11 -22.937  22.522 -33.952
  149   2HG   ARG  11          3HG       ARG  11 -24.525  21.781 -33.898
  150   1HD   ARG  11          2HD       ARG  11 -25.216  24.074 -32.703
  151   2HD   ARG  11          3HD       ARG  11 -23.773  24.684 -33.489
  152    HE   ARG  11           HE       ARG  11 -24.881  24.571 -35.546
  153   1HH1  ARG  11          2HH2      ARG  11 -26.567  22.529 -33.229
  154   2HH1  ARG  11          1HH2      ARG  11 -27.886  22.185 -34.298
  155   1HH2  ARG  11          2HH1      ARG  11 -26.620  24.119 -36.956
  156   2HH2  ARG  11          1HH1      ARG  11 -27.917  23.097 -36.432
  157    H    GLN  12           HN       GLN  12 -22.798  21.452 -29.297
  158    HA   GLN  12           HA       GLN  12 -24.293  23.265 -27.661
  159   1HB   GLN  12          2HB       GLN  12 -24.849  20.840 -27.750
  160   2HB   GLN  12          3HB       GLN  12 -23.269  20.446 -27.102
  161   1HG   GLN  12          2HG       GLN  12 -23.921  20.903 -24.968
  162   2HG   GLN  12          3HG       GLN  12 -24.610  22.448 -25.428
  163   1HE2  GLN  12          1HE2      GLN  12 -26.748  22.600 -26.087
  164   2HE2  GLN  12          2HE2      GLN  12 -27.927  21.372 -25.762
  165    H    GLY  13           HN       GLY  13 -23.077  24.936 -26.817
  166   1HA   GLY  13          1HA       GLY  13 -21.368  26.010 -25.800
  167   2HA   GLY  13          2HA       GLY  13 -21.454  24.677 -24.666
  168    H    GLY  14           HN       GLY  14 -19.090  25.032 -24.380
  169   1HA   GLY  14          1HA       GLY  14 -17.592  23.223 -26.022
  170   2HA   GLY  14          2HA       GLY  14 -17.159  24.895 -26.315
  171    H    GLU  15           HN       GLU  15 -16.838  22.166 -24.187
  172    HA   GLU  15           HA       GLU  15 -15.069  23.760 -22.548
  173   1HB   GLU  15          2HB       GLU  15 -17.481  23.410 -21.511
  174   2HB   GLU  15          3HB       GLU  15 -16.905  21.790 -21.171
  175   1HG   GLU  15          2HG       GLU  15 -14.782  23.483 -20.363
  176   2HG   GLU  15          3HG       GLU  15 -16.232  24.313 -19.836
  177    H    ARG  16           HN       ARG  16 -16.470  20.421 -22.944
  178    HA   ARG  16           HA       ARG  16 -13.718  19.495 -23.088
  179   1HB   ARG  16          2HB       ARG  16 -15.797  18.764 -21.150
  180   2HB   ARG  16          3HB       ARG  16 -15.264  17.350 -22.038
  181   1HG   ARG  16          2HG       ARG  16 -13.814  17.551 -20.116
  182   2HG   ARG  16          3HG       ARG  16 -12.861  18.006 -21.514
  183   1HD   ARG  16          2HD       ARG  16 -14.232  20.357 -20.464
  184   2HD   ARG  16          3HD       ARG  16 -13.359  19.563 -19.171
  185    HE   ARG  16           HE       ARG  16 -11.510  19.578 -21.220
  186   1HH1  ARG  16          2HH2      ARG  16 -13.485  22.083 -19.736
  187   2HH1  ARG  16          1HH2      ARG  16 -12.344  23.348 -20.051
  188   1HH2  ARG  16          2HH1      ARG  16 -10.003  21.246 -21.635
  189   2HH2  ARG  16          1HH1      ARG  16 -10.350  22.868 -21.138
  190    H    ARG  17           HN       ARG  17 -13.487  18.829 -25.207
  191    HA   ARG  17           HA       ARG  17 -15.765  17.424 -26.349
  192   1HB   ARG  17          2HB       ARG  17 -15.152  19.508 -27.558
  193   2HB   ARG  17          3HB       ARG  17 -13.499  18.953 -27.727
  194   1HG   ARG  17          2HG       ARG  17 -14.210  17.079 -29.147
  195   2HG   ARG  17          3HG       ARG  17 -15.899  17.443 -28.860
  196   1HD   ARG  17          2HD       ARG  17 -15.885  18.856 -30.635
  197   2HD   ARG  17          3HD       ARG  17 -14.718  19.871 -29.811
  198    HE   ARG  17           HE       ARG  17 -13.456  17.544 -31.025
  199   1HH1  ARG  17          2HH2      ARG  17 -14.674  20.777 -31.692
  200   2HH1  ARG  17          1HH2      ARG  17 -13.650  21.018 -33.068
  201   1HH2  ARG  17          2HH1      ARG  17 -12.105  17.861 -32.840
  202   2HH2  ARG  17          1HH1      ARG  17 -12.179  19.348 -33.726
  203    H    ARG  18           HN       ARG  18 -15.466  15.225 -26.518
  204    HA   ARG  18           HA       ARG  18 -12.728  14.345 -26.967
  205   1HB   ARG  18          2HB       ARG  18 -14.873  13.114 -25.172
  206   2HB   ARG  18          3HB       ARG  18 -13.440  12.229 -25.660
  207   1HG   ARG  18          2HG       ARG  18 -11.970  13.765 -24.526
  208   2HG   ARG  18          3HG       ARG  18 -13.232  14.968 -24.349
  209   1HD   ARG  18          2HD       ARG  18 -14.122  12.485 -23.123
  210   2HD   ARG  18          3HD       ARG  18 -12.528  12.882 -22.512
  211    HE   ARG  18           HE       ARG  18 -13.780  15.303 -22.326
  212   1HH1  ARG  18          2HH2      ARG  18 -14.783  12.080 -21.334
  213   2HH1  ARG  18          1HH2      ARG  18 -15.758  12.649 -20.021
  214   1HH2  ARG  18          2HH1      ARG  18 -15.066  16.055 -20.594
  215   2HH2  ARG  18          1HH1      ARG  18 -15.920  14.925 -19.597
  216    H    SER  19           HN       SER  19 -14.017  14.790 -29.233
  217    HA   SER  19           HA       SER  19 -14.741  13.923 -31.085
  218   1HB   SER  19          2HB       SER  19 -13.754  11.483 -29.654
  219   2HB   SER  19          3HB       SER  19 -14.787  11.199 -31.042
  220    HG   SER  19           HG       SER  19 -13.116  13.045 -31.908
  221    H    GLN  20           HN       GLN  20 -15.932  11.241 -28.952
  222    HA   GLN  20           HA       GLN  20 -18.544  12.334 -28.873
  223   1HB   GLN  20          2HB       GLN  20 -18.357  11.325 -31.223
  224   2HB   GLN  20          3HB       GLN  20 -18.213   9.755 -30.458
  225   1HG   GLN  20          2HG       GLN  20 -20.442   9.655 -29.973
  226   2HG   GLN  20          3HG       GLN  20 -20.478  11.302 -29.375
  227   1HE2  GLN  20          1HE2      GLN  20 -22.234  12.059 -30.372
  228   2HE2  GLN  20          2HE2      GLN  20 -22.442  12.202 -32.086
  229    H    LEU  21           HN       LEU  21 -16.512  11.488 -26.979
  230    HA   LEU  21           HA       LEU  21 -17.349   8.903 -26.016
  231   1HB   LEU  21          2HB       LEU  21 -15.057   9.316 -25.834
  232   2HB   LEU  21          3HB       LEU  21 -15.292  10.934 -25.204
  233    HG   LEU  21           HG       LEU  21 -14.469   9.199 -23.564
  234   1HD1  LEU  21          1HD1      LEU  21 -15.429  10.290 -21.796
  235   2HD1  LEU  21          2HD1      LEU  21 -15.814  11.423 -23.114
  236   3HD1  LEU  21          3HD1      LEU  21 -17.053  10.289 -22.524
  237   1HD2  LEU  21          1HD2      LEU  21 -15.543   7.285 -23.262
  238   2HD2  LEU  21          2HD2      LEU  21 -17.036   8.151 -22.825
  239   3HD2  LEU  21          3HD2      LEU  21 -16.702   7.756 -24.529
  240    H    ASP  22           HN       ASP  22 -19.342   8.778 -25.110
  241    HA   ASP  22           HA       ASP  22 -20.554  11.005 -23.931
  242   1HB   ASP  22          2HB       ASP  22 -21.140   8.019 -23.927
  243   2HB   ASP  22          3HB       ASP  22 -22.144   9.131 -23.018
  244    H    ARG  23           HN       ARG  23 -21.304  11.040 -21.558
  245    HA   ARG  23           HA       ARG  23 -19.109  10.701 -19.895
  246   1HB   ARG  23          2HB       ARG  23 -22.028  11.396 -19.497
  247   2HB   ARG  23          3HB       ARG  23 -21.058  11.047 -18.080
  248   1HG   ARG  23          2HG       ARG  23 -20.248  13.086 -20.203
  249   2HG   ARG  23          3HG       ARG  23 -21.144  13.508 -18.758
  250   1HD   ARG  23          2HD       ARG  23 -18.376  12.211 -18.815
  251   2HD   ARG  23          3HD       ARG  23 -18.706  13.890 -18.441
  252    HE   ARG  23           HE       ARG  23 -20.296  12.509 -16.635
  253   1HH1  ARG  23          2HH2      ARG  23 -16.871  12.442 -17.437
  254   2HH1  ARG  23          1HH2      ARG  23 -16.377  11.971 -15.846
  255   1HH2  ARG  23          2HH1      ARG  23 -19.644  11.888 -14.534
  256   2HH2  ARG  23          1HH1      ARG  23 -17.964  11.654 -14.183
  257    H    ASP  24           HN       ASP  24 -21.292   8.418 -21.143
  258    HA   ASP  24           HA       ASP  24 -20.743   6.654 -18.888
  259   1HB   ASP  24          2HB       ASP  24 -23.258   7.137 -20.465
  260   2HB   ASP  24          3HB       ASP  24 -22.928   5.479 -20.002
  261    H    GLN  25           HN       GLN  25 -19.223   7.228 -21.427
  262    HA   GLN  25           HA       GLN  25 -19.612   4.663 -22.763
  263   1HB   GLN  25          2HB       GLN  25 -19.128   7.389 -23.768
  264   2HB   GLN  25          3HB       GLN  25 -17.991   6.230 -24.429
  265   1HG   GLN  25          2HG       GLN  25 -20.046   4.725 -24.927
  266   2HG   GLN  25          3HG       GLN  25 -21.033   6.128 -24.564
  267   1HE2  GLN  25          1HE2      GLN  25 -21.668   5.675 -26.831
  268   2HE2  GLN  25          2HE2      GLN  25 -20.792   6.446 -28.111
  269    H    CYS  26           HN       CYS  26 -17.251   4.234 -24.036
  270    HA   CYS  26           HA       CYS  26 -15.318   4.283 -21.833
  271   1HB   CYS  26          2HB       CYS  26 -16.057   2.016 -22.269
  272   2HB   CYS  26          3HB       CYS  26 -15.740   2.186 -23.984
  273    H    ALA  27           HN       ALA  27 -13.235   5.075 -22.311
  274    HA   ALA  27           HA       ALA  27 -12.936   6.155 -25.024
  275   1HB   ALA  27          1HB       ALA  27 -11.869   7.009 -22.311
  276   2HB   ALA  27          2HB       ALA  27 -11.246   7.665 -23.845
  277   3HB   ALA  27          3HB       ALA  27 -12.952   7.910 -23.399
  278    H    TYR  28           HN       TYR  28 -12.489   3.375 -24.574
  279    HA   TYR  28           HA       TYR  28  -9.593   3.313 -25.019
  280   1HB   TYR  28          2HB       TYR  28 -10.764   2.526 -22.660
  281   2HB   TYR  28          3HB       TYR  28 -11.072   1.073 -23.588
  282    HD1  TYR  28           HD1      TYR  28  -8.104   3.370 -23.423
  283    HD2  TYR  28           HD2      TYR  28  -9.616  -0.598 -22.899
  284    HE1  TYR  28           HE1      TYR  28  -5.758   2.536 -22.908
  285    HE2  TYR  28           HE2      TYR  28  -7.265  -1.418 -22.385
  286    HH   TYR  28           HH       TYR  28  -4.705  -0.168 -23.200
  287    H    CYS  29           HN       CYS  29 -12.702   1.436 -25.120
  288    HA   CYS  29           HA       CYS  29 -11.669   0.140 -27.528
  289   1HB   CYS  29          2HB       CYS  29 -13.372  -1.586 -27.139
  290   2HB   CYS  29          3HB       CYS  29 -12.297  -1.422 -25.766
  291    H    LYS  30           HN       LYS  30 -13.994   2.401 -26.173
  292    HA   LYS  30           HA       LYS  30 -15.196   3.916 -27.338
  293   1HB   LYS  30          2HB       LYS  30 -13.829   2.908 -29.430
  294   2HB   LYS  30          3HB       LYS  30 -15.426   2.315 -29.838
  295   1HG   LYS  30          2HG       LYS  30 -15.970   4.373 -30.609
  296   2HG   LYS  30          3HG       LYS  30 -15.810   5.006 -28.982
  297   1HD   LYS  30          2HD       LYS  30 -13.145   4.726 -29.896
  298   2HD   LYS  30          3HD       LYS  30 -14.021   5.339 -31.284
  299   1HE   LYS  30          2HE       LYS  30 -14.795   6.709 -28.785
  300   2HE   LYS  30          3HE       LYS  30 -13.082   6.860 -29.118
  301   1HZ   LYS  30          1HZ       LYS  30 -13.512   7.864 -31.137
  302   2HZ   LYS  30          2HZ       LYS  30 -15.059   7.345 -31.217
  303   3HZ   LYS  30          3HZ       LYS  30 -14.647   8.523 -30.163
  304    H    GLU  31           HN       GLU  31 -15.916   1.464 -25.750
  305    HA   GLU  31           HA       GLU  31 -18.417   0.699 -26.942
  306   1HB   GLU  31          2HB       GLU  31 -16.971  -0.980 -25.793
  307   2HB   GLU  31          3HB       GLU  31 -17.146  -0.104 -24.286
  308   1HG   GLU  31          2HG       GLU  31 -19.481  -0.606 -24.121
  309   2HG   GLU  31          3HG       GLU  31 -19.598  -1.048 -25.812
  310    H    LYS  32           HN       LYS  32 -20.411   0.653 -25.359
  311    HA   LYS  32           HA       LYS  32 -20.411   3.130 -23.786
  312   1HB   LYS  32          2HB       LYS  32 -22.561   3.733 -24.651
  313   2HB   LYS  32          3HB       LYS  32 -21.480   3.476 -26.005
  314   1HG   LYS  32          2HG       LYS  32 -23.029   2.042 -26.841
  315   2HG   LYS  32          3HG       LYS  32 -22.569   0.926 -25.571
  316   1HD   LYS  32          2HD       LYS  32 -24.258   2.229 -24.064
  317   2HD   LYS  32          3HD       LYS  32 -24.854   2.935 -25.553
  318   1HE   LYS  32          2HE       LYS  32 -26.250   1.068 -25.377
  319   2HE   LYS  32          3HE       LYS  32 -24.975   0.417 -26.386
  320   1HZ   LYS  32          1HZ       LYS  32 -25.238   0.092 -23.481
  321   2HZ   LYS  32          2HZ       LYS  32 -25.374  -1.071 -24.618
  322   3HZ   LYS  32          3HZ       LYS  32 -23.923  -0.383 -24.324
  323    H    GLY  33           HN       GLY  33 -20.896   2.748 -21.697
  324   1HA   GLY  33          1HA       GLY  33 -22.846   1.730 -20.407
  325   2HA   GLY  33          2HA       GLY  33 -22.268   0.213 -21.067
  326    H    HIS  34           HN       HIS  34 -19.406   0.818 -21.003
  327    HA   HIS  34           HA       HIS  34 -19.036   0.911 -18.096
  328   1HB   HIS  34          2HB       HIS  34 -17.313  -0.725 -18.278
  329   2HB   HIS  34          3HB       HIS  34 -18.731  -1.344 -19.100
  330    HD1  HIS  34           HD1      HIS  34 -18.442  -2.082 -21.498
  331    HD2  HIS  34           HD2      HIS  34 -15.251   0.279 -20.141
  332    HE1  HIS  34           HE1      HIS  34 -16.674  -2.145 -23.337
  333    H    TRP  35           HN       TRP  35 -16.790   1.660 -17.434
  334    HA   TRP  35           HA       TRP  35 -16.082   3.924 -19.136
  335   1HB   TRP  35          2HB       TRP  35 -15.931   3.317 -16.233
  336   2HB   TRP  35          3HB       TRP  35 -14.652   4.311 -16.900
  337    HD1  TRP  35           HD1      TRP  35 -18.414   4.514 -17.913
  338    HE1  TRP  35           HE1      TRP  35 -19.368   6.932 -17.459
  339    HE3  TRP  35           HE3      TRP  35 -14.209   6.330 -15.703
  340    HZ2  TRP  35           HZ2      TRP  35 -18.283   9.280 -16.254
  341    HZ3  TRP  35           HZ3      TRP  35 -14.241   8.695 -14.916
  342    HH2  TRP  35           HH2      TRP  35 -16.186  10.155 -15.161
  343    H    ALA  36           HN       ALA  36 -13.689   4.383 -19.387
  344    HA   ALA  36           HA       ALA  36 -12.386   2.204 -20.496
  345   1HB   ALA  36          1HB       ALA  36 -11.799   4.392 -21.209
  346   2HB   ALA  36          2HB       ALA  36 -11.485   4.940 -19.545
  347   3HB   ALA  36          3HB       ALA  36 -10.369   3.798 -20.331
  348    H    LYS  37           HN       LYS  37 -12.175   3.690 -17.218
  349    HA   LYS  37           HA       LYS  37 -10.010   2.142 -16.350
  350   1HB   LYS  37          2HB       LYS  37 -12.176   3.727 -14.984
  351   2HB   LYS  37          3HB       LYS  37 -11.068   2.751 -14.042
  352   1HG   LYS  37          2HG       LYS  37  -9.138   3.921 -15.232
  353   2HG   LYS  37          3HG       LYS  37 -10.313   4.980 -15.988
  354   1HD   LYS  37          2HD       LYS  37 -11.098   5.232 -13.381
  355   2HD   LYS  37          3HD       LYS  37  -9.398   4.884 -13.135
  356   1HE   LYS  37          2HE       LYS  37  -9.457   6.765 -15.263
  357   2HE   LYS  37          3HE       LYS  37 -10.655   7.339 -14.121
  358   1HZ   LYS  37          1HZ       LYS  37  -8.965   7.118 -12.387
  359   2HZ   LYS  37          2HZ       LYS  37  -7.855   6.697 -13.508
  360   3HZ   LYS  37          3HZ       LYS  37  -8.529   8.185 -13.543
  361    H    ASP  38           HN       ASP  38 -13.217   1.273 -17.191
  362    HA   ASP  38           HA       ASP  38 -12.887  -1.182 -15.652
  363   1HB   ASP  38          2HB       ASP  38 -14.957   0.630 -15.379
  364   2HB   ASP  38          3HB       ASP  38 -15.626  -0.448 -16.587
  365    H    CYS  39           HN       CYS  39 -12.019  -0.298 -18.450
  366    HA   CYS  39           HA       CYS  39 -13.788  -1.419 -20.322
  367   1HB   CYS  39          2HB       CYS  39 -12.042   0.274 -20.861
  368   2HB   CYS  39          3HB       CYS  39 -10.802  -0.934 -20.589
  369    HA   PRO  40           HA       PRO  40 -12.750  -5.595 -19.468
  370   1HB   PRO  40          2HB       PRO  40 -14.324  -6.779 -21.362
  371   2HB   PRO  40          3HB       PRO  40 -14.923  -6.286 -19.790
  372   1HG   PRO  40          2HG       PRO  40 -15.341  -5.001 -22.420
  373   2HG   PRO  40          3HG       PRO  40 -16.250  -4.787 -20.936
  374   1HD   PRO  40          2HD       PRO  40 -14.306  -2.985 -22.033
  375   2HD   PRO  40          3HD       PRO  40 -15.130  -2.829 -20.494
  376    H    LYS  41           HN       LYS  41 -11.704  -3.769 -21.934
  377    HA   LYS  41           HA       LYS  41 -10.447  -6.022 -23.299
  378   1HB   LYS  41          2HB       LYS  41 -11.659  -4.266 -24.608
  379   2HB   LYS  41          3HB       LYS  41 -10.489  -3.085 -24.054
  380   1HG   LYS  41          2HG       LYS  41  -8.827  -5.105 -24.973
  381   2HG   LYS  41          3HG       LYS  41 -10.182  -5.248 -26.075
  382   1HD   LYS  41          2HD       LYS  41  -9.677  -3.288 -27.135
  383   2HD   LYS  41          3HD       LYS  41  -9.414  -2.435 -25.627
  384   1HE   LYS  41          2HE       LYS  41  -7.270  -2.439 -26.655
  385   2HE   LYS  41          3HE       LYS  41  -7.163  -3.724 -25.468
  386   1HZ   LYS  41          1HZ       LYS  41  -6.842  -5.169 -27.080
  387   2HZ   LYS  41          2HZ       LYS  41  -8.186  -4.714 -27.888
  388   3HZ   LYS  41          3HZ       LYS  41  -6.771  -3.946 -28.160
  389    H    LYS  42           HN       LYS  42  -9.897  -3.597 -20.871
  390    HA   LYS  42           HA       LYS  42  -7.245  -3.005 -21.177
  391   1HB   LYS  42          2HB       LYS  42  -9.044  -3.305 -18.785
  392   2HB   LYS  42          3HB       LYS  42  -7.339  -2.969 -18.559
  393   1HG   LYS  42          2HG       LYS  42  -8.463  -1.255 -20.656
  394   2HG   LYS  42          3HG       LYS  42  -9.379  -1.097 -19.170
  395   1HD   LYS  42          2HD       LYS  42  -6.921  -0.977 -18.078
  396   2HD   LYS  42          3HD       LYS  42  -6.478  -0.457 -19.692
  397   1HE   LYS  42          2HE       LYS  42  -8.814   0.818 -18.213
  398   2HE   LYS  42          3HE       LYS  42  -7.171   1.374 -17.964
  399   1HZ   LYS  42          1HZ       LYS  42  -7.702   2.644 -19.709
  400   2HZ   LYS  42          2HZ       LYS  42  -7.264   1.340 -20.588
  401   3HZ   LYS  42          3HZ       LYS  42  -8.843   1.630 -20.290
  402    HA   PRO  43           HA       PRO  43  -5.650  -7.090 -20.835
  403   1HB   PRO  43          2HB       PRO  43  -3.221  -6.569 -21.975
  404   2HB   PRO  43          3HB       PRO  43  -4.637  -7.024 -22.902
  405   1HG   PRO  43          2HG       PRO  43  -3.383  -4.362 -22.621
  406   2HG   PRO  43          3HG       PRO  43  -4.507  -4.922 -23.843
  407   1HD   PRO  43          2HD       PRO  43  -5.106  -3.228 -21.608
  408   2HD   PRO  43          3HD       PRO  43  -6.250  -3.882 -22.763
  409    H    ARG  44           HN       ARG  44  -5.112  -7.913 -18.924
  410    HA   ARG  44           HA       ARG  44  -4.099  -6.386 -16.948
  411   1HB   ARG  44          2HB       ARG  44  -4.233  -9.325 -17.514
  412   2HB   ARG  44          3HB       ARG  44  -3.095  -8.859 -16.265
  413   1HG   ARG  44          2HG       ARG  44  -5.765  -7.534 -16.085
  414   2HG   ARG  44          3HG       ARG  44  -5.789  -9.269 -15.842
  415   1HD   ARG  44          2HD       ARG  44  -4.666  -9.142 -13.835
  416   2HD   ARG  44          3HD       ARG  44  -3.581  -7.888 -14.402
  417    HE   ARG  44           HE       ARG  44  -6.250  -6.826 -14.134
  418   1HH1  ARG  44          2HH2      ARG  44  -3.473  -7.828 -12.220
  419   2HH1  ARG  44          1HH2      ARG  44  -3.847  -6.780 -10.893
  420   1HH2  ARG  44          2HH1      ARG  44  -6.745  -5.442 -12.383
  421   2HH2  ARG  44          1HH1      ARG  44  -5.722  -5.413 -10.987
  422    H    GLY  45           HN       GLY  45  -2.042  -5.707 -16.277
  423   1HA   GLY  45          1HA       GLY  45   0.366  -6.537 -16.330
  424   2HA   GLY  45          2HA       GLY  45   0.190  -6.422 -18.071
  425    HA   PRO  46           HA       PRO  46   2.129  -5.936 -18.052
  426   1HB   PRO  46          2HB       PRO  46   4.608  -4.916 -17.522
  427   2HB   PRO  46          3HB       PRO  46   3.770  -4.661 -19.041
  428   1HG   PRO  46          2HG       PRO  46   4.175  -2.768 -16.807
  429   2HG   PRO  46          3HG       PRO  46   3.732  -2.427 -18.468
  430   1HD   PRO  46          2HD       PRO  46   1.988  -2.425 -16.192
  431   2HD   PRO  46          3HD       PRO  46   1.525  -2.199 -17.867
  432    H    ARG  47           HN       ARG  47   3.364  -7.667 -17.148
  433    HA   ARG  47           HA       ARG  47   2.916  -7.658 -14.300
  434   1HB   ARG  47          2HB       ARG  47   3.434  -9.792 -16.390
  435   2HB   ARG  47          3HB       ARG  47   3.749 -10.168 -14.708
  436   1HG   ARG  47          2HG       ARG  47   1.127  -8.835 -15.257
  437   2HG   ARG  47          3HG       ARG  47   1.297 -10.455 -15.901
  438   1HD   ARG  47          2HD       ARG  47   1.450 -11.439 -13.789
  439   2HD   ARG  47          3HD       ARG  47   2.204 -10.033 -13.065
  440    HE   ARG  47           HE       ARG  47  -0.575  -9.590 -13.920
  441   1HH1  ARG  47          2HH2      ARG  47   1.535 -10.608 -11.294
  442   2HH1  ARG  47          1HH2      ARG  47   0.367 -10.280 -10.057
  443   1HH2  ARG  47          2HH1      ARG  47  -2.117  -9.156 -12.289
  444   2HH2  ARG  47          1HH1      ARG  47  -1.724  -9.449 -10.627
  445    H    GLY  48           HN       GLY  48   4.717  -6.194 -13.759
  446   1HA   GLY  48          1HA       GLY  48   6.777  -6.251 -12.669
  447   2HA   GLY  48          2HA       GLY  48   7.275  -7.620 -13.644
  448    HA   PRO  49           HA       PRO  49   9.193  -3.981 -15.529
  449   1HB   PRO  49          2HB       PRO  49  11.755  -4.932 -15.607
  450   2HB   PRO  49          3HB       PRO  49  11.140  -3.941 -14.299
  451   1HG   PRO  49          2HG       PRO  49  11.666  -6.850 -14.331
  452   2HG   PRO  49          3HG       PRO  49  11.467  -5.785 -12.953
  453   1HD   PRO  49          2HD       PRO  49   9.533  -7.632 -13.989
  454   2HD   PRO  49          3HD       PRO  49   9.293  -6.485 -12.686
  455    H    ARG  50           HN       ARG  50   9.629  -3.524 -17.674
  456    HA   ARG  50           HA       ARG  50   9.558  -5.961 -19.266
  457   1HB   ARG  50          2HB       ARG  50   8.378  -3.194 -19.783
  458   2HB   ARG  50          3HB       ARG  50   8.571  -4.365 -21.072
  459   1HG   ARG  50          2HG       ARG  50   7.333  -5.947 -19.221
  460   2HG   ARG  50          3HG       ARG  50   6.680  -4.393 -18.745
  461   1HD   ARG  50          2HD       ARG  50   6.681  -4.998 -21.690
  462   2HD   ARG  50          3HD       ARG  50   5.567  -5.922 -20.703
  463    HE   ARG  50           HE       ARG  50   5.150  -3.335 -19.826
  464   1HH1  ARG  50          2HH2      ARG  50   5.152  -4.843 -23.006
  465   2HH1  ARG  50          1HH2      ARG  50   4.002  -3.733 -23.674
  466   1HH2  ARG  50          2HH1      ARG  50   3.633  -1.871 -20.707
  467   2HH2  ARG  50          1HH1      ARG  50   3.132  -2.031 -22.357
  468    HA   PRO  51           HA       PRO  51  13.492  -3.995 -20.244
  469   1HB   PRO  51          2HB       PRO  51  14.954  -6.292 -20.477
  470   2HB   PRO  51          3HB       PRO  51  14.806  -5.398 -18.977
  471   1HG   PRO  51          2HG       PRO  51  13.509  -7.937 -19.759
  472   2HG   PRO  51          3HG       PRO  51  13.716  -7.258 -18.157
  473   1HD   PRO  51          2HD       PRO  51  11.308  -7.276 -19.716
  474   2HD   PRO  51          3HD       PRO  51  11.546  -6.497 -18.165
  475    H    GLN  52           HN       GLN  52  12.649  -7.069 -21.784
  476    HA   GLN  52           HA       GLN  52  12.083  -5.863 -24.205
  477   1HB   GLN  52          2HB       GLN  52  14.800  -5.785 -23.830
  478   2HB   GLN  52          3HB       GLN  52  14.642  -7.339 -24.625
  479   1HG   GLN  52          2HG       GLN  52  13.558  -6.358 -26.553
  480   2HG   GLN  52          3HG       GLN  52  13.300  -4.835 -25.724
  481   1HE2  GLN  52          1HE2      GLN  52  15.135  -6.381 -27.945
  482   2HE2  GLN  52          2HE2      GLN  52  16.585  -5.435 -27.917
  483    H    THR  53           HN       THR  53  13.724  -8.779 -22.785
  484    HA   THR  53           HA       THR  53  13.457 -10.961 -23.374
  485    HB   THR  53           HB       THR  53  11.822 -10.160 -21.478
  486    HG1  THR  53           HG1      THR  53  12.514 -12.414 -22.226
  487   1HG2  THR  53          1HG2      THR  53   9.537 -10.088 -21.926
  488   2HG2  THR  53          2HG2      THR  53  10.120  -9.489 -23.498
  489   3HG2  THR  53          3HG2      THR  53   9.673 -11.201 -23.308
  490    H    SER  54           HN       SER  54  13.657  -9.694 -25.767
  491    HA   SER  54           HA       SER  54  13.189  -9.884 -27.877
  492   1HB   SER  54          2HB       SER  54  12.151 -12.455 -26.760
  493   2HB   SER  54          3HB       SER  54  11.609 -12.060 -28.379
  494    HG   SER  54           HG       SER  54  14.394 -11.982 -27.601
  495    H    LEU  55           HN       LEU  55  11.410  -9.714 -29.583
  496    HA   LEU  55           HA       LEU  55   9.507  -8.871 -30.320
  497   1HB   LEU  55          2HB       LEU  55   8.561 -10.198 -27.809
  498   2HB   LEU  55          3HB       LEU  55   7.458  -9.181 -28.714
  499    HG   LEU  55           HG       LEU  55   7.970 -10.603 -30.750
  500   1HD1  LEU  55          1HD1      LEU  55  10.102 -11.539 -29.821
  501   2HD1  LEU  55          2HD1      LEU  55   9.118 -12.545 -28.731
  502   3HD1  LEU  55          3HD1      LEU  55   8.985 -12.749 -30.494
  503   1HD2  LEU  55          1HD2      LEU  55   6.448 -12.406 -30.073
  504   2HD2  LEU  55          2HD2      LEU  55   6.663 -11.946 -28.367
  505   3HD2  LEU  55          3HD2      LEU  55   5.889 -10.816 -29.502
  506    H    LEU  56           HN       LEU  56   9.588  -6.706 -30.583
  507    HA   LEU  56           HA       LEU  56   9.634  -4.545 -30.126
  508   1HB   LEU  56          2HB       LEU  56   7.659  -5.570 -28.117
  509   2HB   LEU  56          3HB       LEU  56   8.091  -3.872 -28.138
  510    HG   LEU  56           HG       LEU  56   6.046  -4.252 -29.384
  511   1HD1  LEU  56          1HD1      LEU  56   7.607  -2.470 -30.112
  512   2HD1  LEU  56          2HD1      LEU  56   8.300  -3.600 -31.300
  513   3HD1  LEU  56          3HD1      LEU  56   6.595  -3.104 -31.432
  514   1HD2  LEU  56          1HD2      LEU  56   7.695  -6.163 -31.058
  515   2HD2  LEU  56          2HD2      LEU  56   6.284  -6.545 -30.042
  516   3HD2  LEU  56          3HD2      LEU  56   6.082  -5.559 -31.510
  Start of MODEL    3
    1   1H5*    U 517          1H5*        U 517  -1.718   1.172 -31.070
    2   2H5*    U 517          2H5*        U 517  -2.557   0.842 -29.555
    3    H4*    U 517           H4*        U 517  -3.497   2.463 -31.500
    4    H3*    U 517           H3*        U 517  -4.880   0.941 -29.326
    5    H2*    U 517           H2*        U 517  -7.013   1.576 -30.156
    6   2HO*    U 517          2HO*        U 517  -5.555   3.052 -32.146
    7    H1*    U 517           H1*        U 517  -6.426   0.857 -32.787
    8    H3     U 517           H3         U 517  -9.069  -2.643 -31.880
    9    H5     U 517           H5         U 517  -5.908  -3.164 -29.183
   10    H6     U 517           H6         U 517  -5.005  -1.028 -29.983
   11   1H5*    U 518          1H5*        U 518  -4.512   5.224 -29.327
   12   2H5*    U 518          2H5*        U 518  -4.478   6.410 -28.023
   13    H4*    U 518           H4*        U 518  -6.691   6.467 -28.580
   14    H3*    U 518           H3*        U 518  -6.466   4.315 -26.467
   15    H2*    U 518           H2*        U 518  -8.803   4.121 -26.496
   16   2HO*    U 518          2HO*        U 518  -9.551   6.169 -26.500
   17    H1*    U 518           H1*        U 518  -8.861   4.611 -29.368
   18    H3     U 518           H3         U 518 -10.992   0.691 -29.666
   19    H5     U 518           H5         U 518  -7.584  -0.307 -27.447
   20    H6     U 518           H6         U 518  -6.977   2.068 -27.496
   21   1H5*    U 519          1H5*        U 519  -8.457   6.784 -24.528
   22   2H5*    U 519          2H5*        U 519  -7.820   8.348 -24.020
   23    H4*    U 519           H4*        U 519  -9.583   7.606 -22.529
   24    H3*    U 519           H3*        U 519  -6.813   7.860 -21.415
   25    H2*    U 519           H2*        U 519  -7.578   7.240 -19.254
   26   2HO*    U 519          2HO*        U 519  -9.554   8.409 -19.508
   27    H1*    U 519           H1*        U 519  -8.990   5.011 -20.184
   28    H3     U 519           H3         U 519  -5.216   3.742 -17.811
   29    H5     U 519           H5         U 519  -4.063   3.979 -21.831
   30    H6     U 519           H6         U 519  -6.223   5.047 -22.284
   31   1H5*    U 520          1H5*        U 520  -5.884  12.483 -22.628
   32   2H5*    U 520          2H5*        U 520  -5.646  12.280 -20.893
   33    H4*    U 520           H4*        U 520  -6.269  14.457 -20.904
   34    H3*    U 520           H3*        U 520  -8.559  12.799 -20.323
   35    H2*    U 520           H2*        U 520 -10.281  14.117 -21.164
   36   2HO*    U 520          2HO*        U 520  -9.271  15.944 -20.062
   37    H1*    U 520           H1*        U 520  -9.270  14.894 -23.514
   38    H3     U 520           H3         U 520  -7.900  10.384 -24.980
   39    H5     U 520           H5         U 520 -11.519  10.456 -22.874
   40    H6     U 520           H6         U 520 -10.968  12.748 -22.202
   41   1H5*    G 521          1H5*        G 521 -11.875  14.632 -19.776
   42   2H5*    G 521          2H5*        G 521 -11.379  15.395 -18.266
   43    H4*    G 521           H4*        G 521 -13.301  14.388 -17.579
   44    H3*    G 521           H3*        G 521 -11.144  12.316 -17.170
   45    H2*    G 521           H2*        G 521 -12.757  10.909 -16.158
   46   2HO*    G 521          2HO*        G 521 -14.445  13.231 -16.416
   47    H1*    G 521           H1*        G 521 -14.697  11.561 -18.170
   48    H8     G 521           H8         G 521 -11.128  10.150 -18.048
   49    H1     G 521           H1         G 521 -15.544   6.352 -20.868
   50   1H2     G 521          1H2         G 521 -17.364   7.321 -20.904
   51   2H2     G 521          2H2         G 521 -17.651   8.924 -20.263
   52   1H5*    C 522          1H5*        C 522 -10.321  14.098 -11.973
   53   2H5*    C 522          2H5*        C 522 -10.154  12.342 -11.952
   54    H4*    C 522           H4*        C 522 -11.538  13.766 -10.122
   55    H3*    C 522           H3*        C 522 -11.913  10.913 -11.036
   56    H2*    C 522           H2*        C 522 -13.625  10.672  -9.423
   57   2HO*    C 522          2HO*        C 522 -12.523  11.793  -7.785
   58    H1*    C 522           H1*        C 522 -14.684  13.270 -10.047
   59   1H4     C 522          1H4         C 522 -18.921   9.695 -13.149
   60   2H4     C 522          2H4         C 522 -17.677   8.567 -13.636
   61    H5     C 522           H5         C 522 -15.393   8.805 -13.079
   62    H6     C 522           H6         C 522 -13.727  10.199 -11.907
   63   1H5*    U 523          1H5*        U 523  -8.467  11.332  -9.191
   64   2H5*    U 523          2H5*        U 523  -7.926  10.294 -10.509
   65    H4*    U 523           H4*        U 523  -6.232  10.405  -8.798
   66    H3*    U 523           H3*        U 523  -7.577   7.773  -9.242
   67    H2*    U 523           H2*        U 523  -6.270   6.740  -7.549
   68   2HO*    U 523          2HO*        U 523  -4.349   7.838  -7.993
   69    H1*    U 523           H1*        U 523  -6.764   8.786  -5.687
   70    H3     U 523           H3         U 523 -10.492   7.012  -3.829
   71    H5     U 523           H5         U 523 -10.004   4.826  -7.368
   72    H6     U 523           H6         U 523  -8.192   6.370  -7.955
   73   1H    ALA   1           HN       ALA   1   4.975  -3.855  -8.172
   74    HA   ALA   1           HA       ALA   1   6.660  -2.886  -9.645
   75   1HB   ALA   1          1HB       ALA   1   8.669  -4.035  -8.302
   76   2HB   ALA   1          2HB       ALA   1   7.523  -2.930  -7.507
   77   3HB   ALA   1          3HB       ALA   1   7.321  -4.690  -7.344
   78    H    THR   2           HN       THR   2   7.430  -3.206 -11.666
   79    HA   THR   2           HA       THR   2   8.248  -5.953 -12.358
   80    HB   THR   2           HB       THR   2   7.419  -5.443 -14.630
   81    HG1  THR   2           HG1      THR   2   7.358  -3.274 -15.051
   82   1HG2  THR   2          1HG2      THR   2   5.004  -4.974 -14.183
   83   2HG2  THR   2          2HG2      THR   2   5.636  -6.180 -13.036
   84   3HG2  THR   2          3HG2      THR   2   5.411  -4.493 -12.518
   85    H    VAL   3           HN       VAL   3   9.976  -6.120 -13.993
   86    HA   VAL   3           HA       VAL   3  11.990  -4.120 -13.388
   87    HB   VAL   3           HB       VAL   3  12.050  -6.831 -14.718
   88   1HG1  VAL   3          1HG1      VAL   3  13.825  -5.858 -15.814
   89   2HG1  VAL   3          2HG1      VAL   3  14.153  -4.707 -14.497
   90   3HG1  VAL   3          3HG1      VAL   3  14.635  -6.412 -14.329
   91   1HG2  VAL   3          1HG2      VAL   3  12.154  -7.559 -12.608
   92   2HG2  VAL   3          2HG2      VAL   3  13.741  -6.764 -12.481
   93   3HG2  VAL   3          3HG2      VAL   3  12.270  -5.899 -11.976
   94    H    VAL   4           HN       VAL   4  11.631  -2.286 -14.607
   95    HA   VAL   4           HA       VAL   4  11.171  -1.039 -16.407
   96    HB   VAL   4           HB       VAL   4  12.828  -1.396 -18.231
   97   1HG1  VAL   4          1HG1      VAL   4  14.029  -0.107 -16.860
   98   2HG1  VAL   4          2HG1      VAL   4  13.328  -0.885 -15.421
   99   3HG1  VAL   4          3HG1      VAL   4  14.763  -1.590 -16.204
  100   1HG2  VAL   4          1HG2      VAL   4  12.803  -3.922 -18.025
  101   2HG2  VAL   4          2HG2      VAL   4  14.412  -3.176 -18.169
  102   3HG2  VAL   4          3HG2      VAL   4  13.829  -3.735 -16.583
  103    H    SER   5           HN       SER   5   8.969  -2.334 -16.314
  104    HA   SER   5           HA       SER   5   8.602  -3.318 -19.020
  105   1HB   SER   5          2HB       SER   5   7.682  -4.663 -16.452
  106   2HB   SER   5          3HB       SER   5   6.898  -4.984 -17.987
  107    HG   SER   5           HG       SER   5   9.757  -5.220 -17.700
  108    H    GLY   6           HN       GLY   6   6.147  -3.328 -19.591
  109   1HA   GLY   6          1HA       GLY   6   4.086  -2.248 -18.310
  110   2HA   GLY   6          2HA       GLY   6   5.027  -0.810 -18.648
  111    H    GLN   7           HN       GLN   7   4.586   0.223 -20.544
  112    HA   GLN   7           HA       GLN   7   3.076  -1.264 -22.502
  113   1HB   GLN   7          2HB       GLN   7   2.925   1.353 -21.524
  114   2HB   GLN   7          3HB       GLN   7   3.650   1.566 -23.106
  115   1HG   GLN   7          2HG       GLN   7   1.385   1.600 -23.672
  116   2HG   GLN   7          3HG       GLN   7   1.745  -0.098 -23.909
  117   1HE2  GLN   7          1HE2      GLN   7  -0.756   1.280 -23.241
  118   2HE2  GLN   7          2HE2      GLN   7  -1.358   0.567 -21.782
  119    H    LYS   8           HN       LYS   8   3.667  -1.281 -24.796
  120    HA   LYS   8           HA       LYS   8   6.414  -1.760 -25.172
  121   1HB   LYS   8          2HB       LYS   8   3.925  -1.977 -26.705
  122   2HB   LYS   8          3HB       LYS   8   5.294  -1.521 -27.698
  123   1HG   LYS   8          2HG       LYS   8   6.256  -3.580 -27.511
  124   2HG   LYS   8          3HG       LYS   8   6.021  -3.625 -25.775
  125   1HD   LYS   8          2HD       LYS   8   4.447  -5.221 -26.172
  126   2HD   LYS   8          3HD       LYS   8   3.416  -3.915 -26.721
  127   1HE   LYS   8          2HE       LYS   8   3.472  -5.617 -28.465
  128   2HE   LYS   8          3HE       LYS   8   4.333  -4.208 -29.053
  129   1HZ   LYS   8          1HZ       LYS   8   5.302  -6.768 -28.776
  130   2HZ   LYS   8          2HZ       LYS   8   6.122  -5.444 -29.269
  131   3HZ   LYS   8          3HZ       LYS   8   6.116  -5.861 -27.690
  132    H    GLN   9           HN       GLN   9   4.269   0.749 -26.704
  133    HA   GLN   9           HA       GLN   9   5.960   2.841 -26.096
  134   1HB   GLN   9          2HB       GLN   9   7.514   1.656 -27.681
  135   2HB   GLN   9          3HB       GLN   9   6.322   1.832 -28.953
  136   1HG   GLN   9          2HG       GLN   9   6.467   4.431 -28.101
  137   2HG   GLN   9          3HG       GLN   9   8.091   3.902 -27.707
  138   1HE2  GLN   9          1HE2      GLN   9   8.190   5.730 -29.443
  139   2HE2  GLN   9          2HE2      GLN   9   8.404   5.198 -31.077
  140    H    ASP  10           HN       ASP  10   3.960   3.859 -25.667
  141    HA   ASP  10           HA       ASP  10   2.649   4.796 -28.048
  142   1HB   ASP  10          2HB       ASP  10   1.194   2.961 -27.614
  143   2HB   ASP  10          3HB       ASP  10   1.332   3.142 -25.876
  144    H    ARG  11           HN       ARG  11   2.383   7.017 -27.742
  145    HA   ARG  11           HA       ARG  11   1.638   7.948 -25.143
  146   1HB   ARG  11          2HB       ARG  11   4.390   8.084 -26.053
  147   2HB   ARG  11          3HB       ARG  11   3.755   9.715 -25.981
  148   1HG   ARG  11          2HG       ARG  11   2.964   8.099 -23.638
  149   2HG   ARG  11          3HG       ARG  11   4.705   8.216 -23.809
  150   1HD   ARG  11          2HD       ARG  11   3.393  10.811 -24.289
  151   2HD   ARG  11          3HD       ARG  11   2.997  10.172 -22.706
  152    HE   ARG  11           HE       ARG  11   5.579  11.177 -23.554
  153   1HH1  ARG  11          2HH2      ARG  11   4.062   8.796 -21.454
  154   2HH1  ARG  11          1HH2      ARG  11   5.396   8.731 -20.350
  155   1HH2  ARG  11          2HH1      ARG  11   7.339  11.093 -22.098
  156   2HH2  ARG  11          1HH1      ARG  11   7.272  10.048 -20.718
  157    H    GLN  12           HN       GLN  12  -0.260   8.881 -25.967
  158    HA   GLN  12           HA       GLN  12  -1.569  10.184 -27.115
  159   1HB   GLN  12          2HB       GLN  12   0.109  11.838 -25.966
  160   2HB   GLN  12          3HB       GLN  12   0.739  12.096 -27.581
  161   1HG   GLN  12          2HG       GLN  12  -1.559  12.714 -28.373
  162   2HG   GLN  12          3HG       GLN  12  -2.178  12.472 -26.751
  163   1HE2  GLN  12          1HE2      GLN  12  -2.155  14.091 -25.367
  164   2HE2  GLN  12          2HE2      GLN  12  -1.319  15.597 -25.548
  165    H    GLY  13           HN       GLY  13  -2.042   8.936 -28.954
  166   1HA   GLY  13          1HA       GLY  13  -0.612   9.761 -31.394
  167   2HA   GLY  13          2HA       GLY  13  -0.815   8.059 -31.031
  168    H    GLY  14           HN       GLY  14  -2.646  11.143 -31.490
  169   1HA   GLY  14          1HA       GLY  14  -4.432  10.307 -33.339
  170   2HA   GLY  14          2HA       GLY  14  -5.155   9.760 -31.839
  171    H    GLU  15           HN       GLU  15  -6.399  11.717 -33.477
  172    HA   GLU  15           HA       GLU  15  -6.172  14.008 -31.693
  173   1HB   GLU  15          2HB       GLU  15  -5.336  14.075 -34.323
  174   2HB   GLU  15          3HB       GLU  15  -6.995  14.615 -34.485
  175   1HG   GLU  15          2HG       GLU  15  -6.198  16.674 -33.913
  176   2HG   GLU  15          3HG       GLU  15  -6.174  16.063 -32.272
  177    H    ARG  16           HN       ARG  16  -8.036  13.849 -30.493
  178    HA   ARG  16           HA       ARG  16 -10.464  14.311 -31.748
  179   1HB   ARG  16          2HB       ARG  16  -9.729  11.481 -31.397
  180   2HB   ARG  16          3HB       ARG  16 -11.202  11.863 -30.528
  181   1HG   ARG  16          2HG       ARG  16 -12.410  12.199 -32.452
  182   2HG   ARG  16          3HG       ARG  16 -11.097  13.038 -33.254
  183   1HD   ARG  16          2HD       ARG  16  -9.979  10.906 -33.777
  184   2HD   ARG  16          3HD       ARG  16 -11.152  10.011 -32.832
  185    HE   ARG  16           HE       ARG  16 -12.769  11.311 -34.622
  186   1HH1  ARG  16          2HH2      ARG  16  -9.839   9.408 -35.046
  187   2HH1  ARG  16          1HH2      ARG  16 -10.274   8.856 -36.629
  188   1HH2  ARG  16          2HH1      ARG  16 -13.343  10.583 -36.711
  189   2HH2  ARG  16          1HH1      ARG  16 -12.280   9.530 -37.583
  190    H    ARG  17           HN       ARG  17 -10.906  15.858 -30.162
  191    HA   ARG  17           HA       ARG  17 -10.337  15.273 -27.446
  192   1HB   ARG  17          2HB       ARG  17 -10.366  17.591 -28.771
  193   2HB   ARG  17          3HB       ARG  17 -12.064  17.601 -28.339
  194   1HG   ARG  17          2HG       ARG  17 -11.590  18.215 -26.206
  195   2HG   ARG  17          3HG       ARG  17 -10.491  16.864 -26.006
  196   1HD   ARG  17          2HD       ARG  17  -9.309  18.925 -27.733
  197   2HD   ARG  17          3HD       ARG  17  -9.794  19.605 -26.193
  198    HE   ARG  17           HE       ARG  17  -8.198  18.251 -25.086
  199   1HH1  ARG  17          2HH2      ARG  17  -8.456  17.336 -28.475
  200   2HH1  ARG  17          1HH2      ARG  17  -7.035  16.346 -28.448
  201   1HH2  ARG  17          2HH1      ARG  17  -6.323  16.945 -25.051
  202   2HH2  ARG  17          1HH1      ARG  17  -5.814  16.123 -26.487
  203    H    ARG  18           HN       ARG  18 -11.684  13.514 -26.797
  204    HA   ARG  18           HA       ARG  18 -13.521  12.392 -26.410
  205   1HB   ARG  18          2HB       ARG  18 -14.272  15.167 -25.373
  206   2HB   ARG  18          3HB       ARG  18 -15.226  13.741 -25.017
  207   1HG   ARG  18          2HG       ARG  18 -13.714  12.960 -23.487
  208   2HG   ARG  18          3HG       ARG  18 -12.341  13.332 -24.509
  209   1HD   ARG  18          2HD       ARG  18 -13.773  15.697 -23.353
  210   2HD   ARG  18          3HD       ARG  18 -12.921  14.691 -22.201
  211    HE   ARG  18           HE       ARG  18 -11.223  15.188 -24.471
  212   1HH1  ARG  18          2HH2      ARG  18 -12.556  16.800 -21.641
  213   2HH1  ARG  18          1HH2      ARG  18 -11.252  17.933 -21.515
  214   1HH2  ARG  18          2HH1      ARG  18  -9.503  16.683 -24.305
  215   2HH2  ARG  18          1HH1      ARG  18  -9.503  17.866 -23.039
  216    H    SER  19           HN       SER  19 -13.440  13.596 -29.133
  217    HA   SER  19           HA       SER  19 -15.550  14.896 -30.022
  218   1HB   SER  19          2HB       SER  19 -13.627  13.181 -31.139
  219   2HB   SER  19          3HB       SER  19 -15.146  12.477 -31.653
  220    HG   SER  19           HG       SER  19 -15.438  14.096 -33.022
  221    H    GLN  20           HN       GLN  20 -15.501  11.324 -29.343
  222    HA   GLN  20           HA       GLN  20 -18.394  11.513 -29.068
  223   1HB   GLN  20          2HB       GLN  20 -17.096  10.156 -31.138
  224   2HB   GLN  20          3HB       GLN  20 -17.431   8.878 -29.985
  225   1HG   GLN  20          2HG       GLN  20 -19.825   9.517 -29.923
  226   2HG   GLN  20          3HG       GLN  20 -19.517  10.872 -30.991
  227   1HE2  GLN  20          1HE2      GLN  20 -18.948  10.522 -33.152
  228   2HE2  GLN  20          2HE2      GLN  20 -19.297   9.039 -33.977
  229    H    LEU  21           HN       LEU  21 -16.683  11.856 -26.904
  230    HA   LEU  21           HA       LEU  21 -16.662   9.222 -25.613
  231   1HB   LEU  21          2HB       LEU  21 -14.499  10.351 -25.798
  232   2HB   LEU  21          3HB       LEU  21 -15.138  11.746 -24.952
  233    HG   LEU  21           HG       LEU  21 -13.715   9.833 -23.748
  234   1HD1  LEU  21          1HD1      LEU  21 -15.501  11.925 -22.922
  235   2HD1  LEU  21          2HD1      LEU  21 -15.597  10.568 -21.773
  236   3HD1  LEU  21          3HD1      LEU  21 -14.024  11.321 -22.133
  237   1HD2  LEU  21          1HD2      LEU  21 -15.174   8.304 -22.496
  238   2HD2  LEU  21          2HD2      LEU  21 -16.575   8.888 -23.425
  239   3HD2  LEU  21          3HD2      LEU  21 -15.258   8.022 -24.251
  240    H    ASP  22           HN       ASP  22 -18.937   9.200 -25.163
  241    HA   ASP  22           HA       ASP  22 -20.184  11.348 -23.906
  242   1HB   ASP  22          2HB       ASP  22 -20.969   8.930 -25.009
  243   2HB   ASP  22          3HB       ASP  22 -21.205   8.614 -23.301
  244    H    ARG  23           HN       ARG  23 -21.157  11.159 -21.587
  245    HA   ARG  23           HA       ARG  23 -19.079  10.790 -19.793
  246   1HB   ARG  23          2HB       ARG  23 -21.039  12.336 -19.464
  247   2HB   ARG  23          3HB       ARG  23 -22.087  10.949 -19.245
  248   1HG   ARG  23          2HG       ARG  23 -21.394  11.886 -17.056
  249   2HG   ARG  23          3HG       ARG  23 -20.806  10.246 -17.249
  250   1HD   ARG  23          2HD       ARG  23 -18.574  10.914 -17.470
  251   2HD   ARG  23          3HD       ARG  23 -18.990  12.462 -18.176
  252    HE   ARG  23           HE       ARG  23 -19.997  12.678 -15.612
  253   1HH1  ARG  23          2HH2      ARG  23 -16.845  11.798 -16.906
  254   2HH1  ARG  23          1HH2      ARG  23 -15.972  12.396 -15.535
  255   1HH2  ARG  23          2HH1      ARG  23 -18.846  13.466 -13.802
  256   2HH2  ARG  23          1HH1      ARG  23 -17.118  13.352 -13.757
  257    H    ASP  24           HN       ASP  24 -21.076   8.515 -21.359
  258    HA   ASP  24           HA       ASP  24 -20.468   6.573 -19.277
  259   1HB   ASP  24          2HB       ASP  24 -23.050   7.111 -20.732
  260   2HB   ASP  24          3HB       ASP  24 -22.656   5.436 -20.397
  261    H    GLN  25           HN       GLN  25 -19.043   7.424 -21.780
  262    HA   GLN  25           HA       GLN  25 -19.366   4.954 -23.300
  263   1HB   GLN  25          2HB       GLN  25 -19.558   7.625 -24.211
  264   2HB   GLN  25          3HB       GLN  25 -17.986   7.080 -24.761
  265   1HG   GLN  25          2HG       GLN  25 -19.544   4.873 -25.351
  266   2HG   GLN  25          3HG       GLN  25 -20.702   6.168 -25.581
  267   1HE2  GLN  25          1HE2      GLN  25 -20.417   7.691 -27.172
  268   2HE2  GLN  25          2HE2      GLN  25 -19.279   7.527 -28.467
  269    H    CYS  26           HN       CYS  26 -17.625   3.590 -23.274
  270    HA   CYS  26           HA       CYS  26 -15.402   4.151 -21.726
  271   1HB   CYS  26          2HB       CYS  26 -16.095   1.873 -22.152
  272   2HB   CYS  26          3HB       CYS  26 -15.829   2.054 -23.876
  273    H    ALA  27           HN       ALA  27 -13.420   5.122 -22.190
  274    HA   ALA  27           HA       ALA  27 -13.142   6.165 -24.915
  275   1HB   ALA  27          1HB       ALA  27 -12.181   7.051 -22.184
  276   2HB   ALA  27          2HB       ALA  27 -11.418   7.659 -23.672
  277   3HB   ALA  27          3HB       ALA  27 -13.148   7.952 -23.376
  278    H    TYR  28           HN       TYR  28 -12.609   3.379 -24.398
  279    HA   TYR  28           HA       TYR  28  -9.710   3.403 -24.864
  280   1HB   TYR  28          2HB       TYR  28 -10.828   2.558 -22.533
  281   2HB   TYR  28          3HB       TYR  28 -11.219   1.137 -23.482
  282    HD1  TYR  28           HD1      TYR  28  -8.230   3.343 -22.885
  283    HD2  TYR  28           HD2      TYR  28  -9.740  -0.636 -23.331
  284    HE1  TYR  28           HE1      TYR  28  -5.907   2.405 -22.451
  285    HE2  TYR  28           HE2      TYR  28  -7.412  -1.560 -22.895
  286    HH   TYR  28           HH       TYR  28  -5.206  -0.270 -21.446
  287    H    CYS  29           HN       CYS  29 -12.784   1.480 -25.071
  288    HA   CYS  29           HA       CYS  29 -11.691   0.287 -27.508
  289   1HB   CYS  29          2HB       CYS  29 -13.315  -1.523 -27.179
  290   2HB   CYS  29          3HB       CYS  29 -12.252  -1.357 -25.796
  291    H    LYS  30           HN       LYS  30 -14.096   2.409 -26.076
  292    HA   LYS  30           HA       LYS  30 -15.364   3.911 -27.184
  293   1HB   LYS  30          2HB       LYS  30 -13.963   3.033 -29.311
  294   2HB   LYS  30          3HB       LYS  30 -15.536   2.392 -29.738
  295   1HG   LYS  30          2HG       LYS  30 -16.382   4.462 -30.194
  296   2HG   LYS  30          3HG       LYS  30 -15.726   5.150 -28.723
  297   1HD   LYS  30          2HD       LYS  30 -13.444   4.681 -30.301
  298   2HD   LYS  30          3HD       LYS  30 -14.640   5.217 -31.464
  299   1HE   LYS  30          2HE       LYS  30 -15.066   7.019 -29.407
  300   2HE   LYS  30          3HE       LYS  30 -13.344   6.730 -29.245
  301   1HZ   LYS  30          1HZ       LYS  30 -14.339   8.455 -30.939
  302   2HZ   LYS  30          2HZ       LYS  30 -12.937   7.670 -31.226
  303   3HZ   LYS  30          3HZ       LYS  30 -14.319   7.154 -31.926
  304    H    GLU  31           HN       GLU  31 -15.989   1.401 -25.668
  305    HA   GLU  31           HA       GLU  31 -18.561   0.763 -26.856
  306   1HB   GLU  31          2HB       GLU  31 -16.974  -0.591 -24.632
  307   2HB   GLU  31          3HB       GLU  31 -18.569  -1.106 -25.145
  308   1HG   GLU  31          2HG       GLU  31 -16.416  -0.785 -27.243
  309   2HG   GLU  31          3HG       GLU  31 -16.360  -2.192 -26.198
  310    H    LYS  32           HN       LYS  32 -20.476   1.449 -25.938
  311    HA   LYS  32           HA       LYS  32 -20.226   3.197 -23.640
  312   1HB   LYS  32          2HB       LYS  32 -22.341   4.051 -24.253
  313   2HB   LYS  32          3HB       LYS  32 -21.457   3.832 -25.750
  314   1HG   LYS  32          2HG       LYS  32 -22.700   1.355 -25.433
  315   2HG   LYS  32          3HG       LYS  32 -23.899   2.454 -24.784
  316   1HD   LYS  32          2HD       LYS  32 -22.764   3.557 -27.239
  317   2HD   LYS  32          3HD       LYS  32 -23.345   1.930 -27.527
  318   1HE   LYS  32          2HE       LYS  32 -25.293   3.186 -27.899
  319   2HE   LYS  32          3HE       LYS  32 -25.501   2.720 -26.223
  320   1HZ   LYS  32          1HZ       LYS  32 -24.473   4.853 -25.622
  321   2HZ   LYS  32          2HZ       LYS  32 -24.455   5.285 -27.197
  322   3HZ   LYS  32          3HZ       LYS  32 -25.878   5.031 -26.436
  323    H    GLY  33           HN       GLY  33 -21.035   2.786 -21.605
  324   1HA   GLY  33          1HA       GLY  33 -22.851   1.494 -20.447
  325   2HA   GLY  33          2HA       GLY  33 -22.165   0.080 -21.221
  326    H    HIS  34           HN       HIS  34 -19.340   1.013 -21.026
  327    HA   HIS  34           HA       HIS  34 -19.018   0.946 -18.120
  328   1HB   HIS  34          2HB       HIS  34 -17.284  -0.698 -18.288
  329   2HB   HIS  34          3HB       HIS  34 -18.725  -1.320 -19.067
  330    HD1  HIS  34           HD1      HIS  34 -18.545  -2.002 -21.512
  331    HD2  HIS  34           HD2      HIS  34 -15.198   0.131 -20.153
  332    HE1  HIS  34           HE1      HIS  34 -16.798  -2.153 -23.367
  333    H    TRP  35           HN       TRP  35 -16.756   1.659 -17.448
  334    HA   TRP  35           HA       TRP  35 -16.019   3.918 -19.141
  335   1HB   TRP  35          2HB       TRP  35 -15.861   3.288 -16.243
  336   2HB   TRP  35          3HB       TRP  35 -14.574   4.272 -16.910
  337    HD1  TRP  35           HD1      TRP  35 -18.328   4.536 -17.927
  338    HE1  TRP  35           HE1      TRP  35 -19.255   6.959 -17.443
  339    HE3  TRP  35           HE3      TRP  35 -14.114   6.265 -15.666
  340    HZ2  TRP  35           HZ2      TRP  35 -18.146   9.275 -16.196
  341    HZ3  TRP  35           HZ3      TRP  35 -14.120   8.618 -14.844
  342    HH2  TRP  35           HH2      TRP  35 -16.044  10.107 -15.079
  343    H    ALA  36           HN       ALA  36 -13.624   4.345 -19.407
  344    HA   ALA  36           HA       ALA  36 -12.357   2.118 -20.498
  345   1HB   ALA  36          1HB       ALA  36 -11.896   4.402 -21.213
  346   2HB   ALA  36          2HB       ALA  36 -11.282   4.820 -19.596
  347   3HB   ALA  36          3HB       ALA  36 -10.391   3.663 -20.613
  348    H    LYS  37           HN       LYS  37 -12.271   3.598 -17.242
  349    HA   LYS  37           HA       LYS  37 -10.015   2.142 -16.363
  350   1HB   LYS  37          2HB       LYS  37 -12.172   3.774 -15.050
  351   2HB   LYS  37          3HB       LYS  37 -11.103   2.797 -14.063
  352   1HG   LYS  37          2HG       LYS  37  -9.128   3.932 -14.931
  353   2HG   LYS  37          3HG       LYS  37 -10.065   4.748 -16.166
  354   1HD   LYS  37          2HD       LYS  37 -11.388   5.888 -14.304
  355   2HD   LYS  37          3HD       LYS  37 -10.274   5.181 -13.151
  356   1HE   LYS  37          2HE       LYS  37  -8.920   6.570 -15.399
  357   2HE   LYS  37          3HE       LYS  37  -9.922   7.629 -14.428
  358   1HZ   LYS  37          1HZ       LYS  37  -8.684   6.239 -12.551
  359   2HZ   LYS  37          2HZ       LYS  37  -7.525   6.232 -13.701
  360   3HZ   LYS  37          3HZ       LYS  37  -8.115   7.650 -13.146
  361    H    ASP  38           HN       ASP  38 -13.124   1.151 -17.275
  362    HA   ASP  38           HA       ASP  38 -12.794  -1.234 -15.635
  363   1HB   ASP  38          2HB       ASP  38 -14.865   0.527 -15.322
  364   2HB   ASP  38          3HB       ASP  38 -15.541  -0.486 -16.582
  365    H    CYS  39           HN       CYS  39 -12.037  -0.304 -18.497
  366    HA   CYS  39           HA       CYS  39 -13.770  -1.514 -20.318
  367   1HB   CYS  39          2HB       CYS  39 -12.038   0.188 -20.890
  368   2HB   CYS  39          3HB       CYS  39 -10.791  -1.014 -20.623
  369    HA   PRO  40           HA       PRO  40 -12.697  -5.676 -19.490
  370   1HB   PRO  40          2HB       PRO  40 -14.102  -6.875 -21.505
  371   2HB   PRO  40          3HB       PRO  40 -14.826  -6.400 -19.982
  372   1HG   PRO  40          2HG       PRO  40 -15.063  -5.107 -22.629
  373   2HG   PRO  40          3HG       PRO  40 -16.087  -4.917 -21.219
  374   1HD   PRO  40          2HD       PRO  40 -14.095  -3.076 -22.154
  375   2HD   PRO  40          3HD       PRO  40 -15.038  -2.944 -20.682
  376    H    LYS  41           HN       LYS  41 -11.496  -3.818 -21.860
  377    HA   LYS  41           HA       LYS  41 -10.104  -6.039 -23.142
  378   1HB   LYS  41          2HB       LYS  41 -11.120  -4.467 -24.657
  379   2HB   LYS  41          3HB       LYS  41 -10.377  -3.105 -23.843
  380   1HG   LYS  41          2HG       LYS  41  -8.099  -4.086 -24.427
  381   2HG   LYS  41          3HG       LYS  41  -8.921  -5.315 -25.368
  382   1HD   LYS  41          2HD       LYS  41  -9.982  -3.525 -26.768
  383   2HD   LYS  41          3HD       LYS  41  -9.143  -2.303 -25.833
  384   1HE   LYS  41          2HE       LYS  41  -7.827  -2.664 -27.825
  385   2HE   LYS  41          3HE       LYS  41  -6.941  -3.403 -26.506
  386   1HZ   LYS  41          1HZ       LYS  41  -6.956  -5.029 -28.085
  387   2HZ   LYS  41          2HZ       LYS  41  -8.251  -5.480 -27.196
  388   3HZ   LYS  41          3HZ       LYS  41  -8.466  -4.704 -28.616
  389    H    LYS  42           HN       LYS  42  -9.776  -3.644 -20.648
  390    HA   LYS  42           HA       LYS  42  -7.046  -3.140 -20.789
  391   1HB   LYS  42          2HB       LYS  42  -9.211  -2.877 -18.792
  392   2HB   LYS  42          3HB       LYS  42  -7.601  -3.017 -18.115
  393   1HG   LYS  42          2HG       LYS  42  -6.900  -1.211 -19.864
  394   2HG   LYS  42          3HG       LYS  42  -8.616  -0.941 -20.095
  395   1HD   LYS  42          2HD       LYS  42  -8.924  -0.322 -17.762
  396   2HD   LYS  42          3HD       LYS  42  -7.309  -0.860 -17.342
  397   1HE   LYS  42          2HE       LYS  42  -6.359   1.105 -18.017
  398   2HE   LYS  42          3HE       LYS  42  -7.259   1.122 -19.521
  399   1HZ   LYS  42          1HZ       LYS  42  -8.033   2.918 -18.308
  400   2HZ   LYS  42          2HZ       LYS  42  -9.204   1.799 -18.101
  401   3HZ   LYS  42          3HZ       LYS  42  -8.133   2.091 -16.903
  402    HA   PRO  43           HA       PRO  43  -5.733  -7.219 -19.844
  403   1HB   PRO  43          2HB       PRO  43  -3.125  -6.890 -20.593
  404   2HB   PRO  43          3HB       PRO  43  -4.392  -7.355 -21.711
  405   1HG   PRO  43          2HG       PRO  43  -3.057  -4.735 -21.408
  406   2HG   PRO  43          3HG       PRO  43  -3.993  -5.339 -22.760
  407   1HD   PRO  43          2HD       PRO  43  -4.858  -3.454 -20.779
  408   2HD   PRO  43          3HD       PRO  43  -5.831  -4.146 -22.062
  409    H    ARG  44           HN       ARG  44  -3.529  -4.563 -19.061
  410    HA   ARG  44           HA       ARG  44  -3.006  -5.953 -16.587
  411   1HB   ARG  44          2HB       ARG  44  -1.677  -3.588 -17.985
  412   2HB   ARG  44          3HB       ARG  44  -1.247  -4.050 -16.351
  413   1HG   ARG  44          2HG       ARG  44  -1.260  -6.440 -17.977
  414   2HG   ARG  44          3HG       ARG  44  -0.344  -5.213 -18.829
  415   1HD   ARG  44          2HD       ARG  44   1.378  -5.294 -17.325
  416   2HD   ARG  44          3HD       ARG  44   0.295  -5.254 -15.948
  417    HE   ARG  44           HE       ARG  44   1.412  -7.642 -17.219
  418   1HH1  ARG  44          2HH2      ARG  44  -1.225  -6.410 -15.241
  419   2HH1  ARG  44          1HH2      ARG  44  -1.576  -7.948 -14.525
  420   1HH2  ARG  44          2HH1      ARG  44   0.949  -9.671 -16.275
  421   2HH2  ARG  44          1HH1      ARG  44  -0.332  -9.815 -15.118
  422    H    GLY  45           HN       GLY  45  -3.481  -5.039 -14.523
  423   1HA   GLY  45          1HA       GLY  45  -3.957  -2.828 -13.421
  424   2HA   GLY  45          2HA       GLY  45  -5.229  -2.656 -14.613
  425    HA   PRO  46           HA       PRO  46  -6.186  -1.648 -13.176
  426   1HB   PRO  46          2HB       PRO  46  -7.275  -0.743 -10.839
  427   2HB   PRO  46          3HB       PRO  46  -8.235  -1.170 -12.241
  428   1HG   PRO  46          2HG       PRO  46  -7.861  -2.673  -9.723
  429   2HG   PRO  46          3HG       PRO  46  -9.114  -2.855 -10.934
  430   1HD   PRO  46          2HD       PRO  46  -6.840  -4.560 -10.548
  431   2HD   PRO  46          3HD       PRO  46  -8.030  -4.674 -11.829
  432    H    ARG  47           HN       ARG  47  -5.036   0.265 -12.434
  433    HA   ARG  47           HA       ARG  47  -2.679  -0.669 -11.113
  434   1HB   ARG  47          2HB       ARG  47  -3.476   1.680 -12.767
  435   2HB   ARG  47          3HB       ARG  47  -2.318   2.059 -11.508
  436   1HG   ARG  47          2HG       ARG  47  -1.110  -0.161 -12.421
  437   2HG   ARG  47          3HG       ARG  47  -2.013   0.213 -13.875
  438   1HD   ARG  47          2HD       ARG  47  -0.961   2.705 -13.149
  439   2HD   ARG  47          3HD       ARG  47   0.328   1.602 -12.712
  440    HE   ARG  47           HE       ARG  47   0.692   1.150 -14.983
  441   1HH1  ARG  47          2HH2      ARG  47  -2.442   2.703 -14.595
  442   2HH1  ARG  47          1HH2      ARG  47  -2.699   2.899 -16.296
  443   1HH2  ARG  47          2HH1      ARG  47   0.353   1.407 -17.228
  444   2HH2  ARG  47          1HH1      ARG  47  -1.099   2.157 -17.805
  445    H    GLY  48           HN       GLY  48  -2.180  -0.301  -8.955
  446   1HA   GLY  48          1HA       GLY  48  -4.154   0.833  -7.239
  447   2HA   GLY  48          2HA       GLY  48  -2.564   0.243  -6.798
  448    HA   PRO  49           HA       PRO  49  -2.309   4.722  -6.374
  449   1HB   PRO  49          2HB       PRO  49  -1.095   4.759  -3.926
  450   2HB   PRO  49          3HB       PRO  49  -2.833   4.847  -4.135
  451   1HG   PRO  49          2HG       PRO  49  -1.188   2.562  -3.236
  452   2HG   PRO  49          3HG       PRO  49  -2.913   2.813  -3.050
  453   1HD   PRO  49          2HD       PRO  49  -1.625   1.078  -4.936
  454   2HD   PRO  49          3HD       PRO  49  -3.340   1.418  -4.827
  455    H    ARG  50           HN       ARG  50  -0.897   5.527  -7.790
  456    HA   ARG  50           HA       ARG  50   1.840   4.680  -7.260
  457   1HB   ARG  50          2HB       ARG  50   0.491   4.082  -9.541
  458   2HB   ARG  50          3HB       ARG  50   1.056   5.677  -9.996
  459   1HG   ARG  50          2HG       ARG  50   3.297   5.044 -10.008
  460   2HG   ARG  50          3HG       ARG  50   3.084   3.850  -8.742
  461   1HD   ARG  50          2HD       ARG  50   3.508   2.654 -10.818
  462   2HD   ARG  50          3HD       ARG  50   1.829   2.389 -10.391
  463    HE   ARG  50           HE       ARG  50   1.679   4.621 -11.999
  464   1HH1  ARG  50          2HH2      ARG  50   3.197   1.473 -12.407
  465   2HH1  ARG  50          1HH2      ARG  50   3.019   1.467 -14.130
  466   1HH2  ARG  50          2HH1      ARG  50   1.445   4.615 -14.273
  467   2HH2  ARG  50          1HH1      ARG  50   2.016   3.267 -15.198
  468    HA   PRO  51           HA       PRO  51   2.633   8.958  -6.887
  469   1HB   PRO  51          2HB       PRO  51   5.355   8.989  -7.120
  470   2HB   PRO  51          3HB       PRO  51   4.525   8.574  -5.634
  471   1HG   PRO  51          2HG       PRO  51   5.893   6.790  -7.552
  472   2HG   PRO  51          3HG       PRO  51   5.440   6.472  -5.890
  473   1HD   PRO  51          2HD       PRO  51   4.104   5.522  -8.244
  474   2HD   PRO  51          3HD       PRO  51   3.586   5.302  -6.584
  475    H    GLN  52           HN       GLN  52   1.606  10.041  -8.504
  476    HA   GLN  52           HA       GLN  52   3.338  10.381 -10.824
  477   1HB   GLN  52          2HB       GLN  52   0.372   9.794 -10.709
  478   2HB   GLN  52          3HB       GLN  52   1.017  10.713 -12.054
  479   1HG   GLN  52          2HG       GLN  52   2.583   8.271 -11.384
  480   2HG   GLN  52          3HG       GLN  52   0.947   7.949 -11.922
  481   1HE2  GLN  52          1HE2      GLN  52   0.459   8.048 -14.003
  482   2HE2  GLN  52          2HE2      GLN  52   1.492   8.608 -15.275
  483    H    THR  53           HN       THR  53   3.431  12.506 -11.711
  484    HA   THR  53           HA       THR  53   1.905  14.538 -10.228
  485    HB   THR  53           HB       THR  53   4.894  14.456 -10.887
  486    HG1  THR  53           HG1      THR  53   3.138  14.605  -8.543
  487   1HG2  THR  53          1HG2      THR  53   3.094  16.746 -10.523
  488   2HG2  THR  53          2HG2      THR  53   4.263  16.639  -9.185
  489   3HG2  THR  53          3HG2      THR  53   4.841  16.744 -10.864
  490    H    SER  54           HN       SER  54   0.494  15.385 -11.626
  491    HA   SER  54           HA       SER  54   1.556  15.949 -14.283
  492   1HB   SER  54          2HB       SER  54  -0.978  14.648 -13.419
  493   2HB   SER  54          3HB       SER  54  -1.174  15.864 -14.664
  494    HG   SER  54           HG       SER  54  -0.014  14.677 -16.098
  495    H    LEU  55           HN       LEU  55   1.329  18.074 -15.006
  496    HA   LEU  55           HA       LEU  55  -0.478  19.804 -13.497
  497   1HB   LEU  55          2HB       LEU  55   2.419  19.845 -13.403
  498   2HB   LEU  55          3HB       LEU  55   1.784  21.358 -14.015
  499    HG   LEU  55           HG       LEU  55   0.790  20.103 -11.451
  500   1HD1  LEU  55          1HD1      LEU  55   2.492  20.920 -10.234
  501   2HD1  LEU  55          2HD1      LEU  55   3.384  20.860 -11.774
  502   3HD1  LEU  55          3HD1      LEU  55   2.644  22.386 -11.231
  503   1HD2  LEU  55          1HD2      LEU  55  -0.637  21.812 -12.577
  504   2HD2  LEU  55          2HD2      LEU  55  -0.086  22.277 -10.950
  505   3HD2  LEU  55          3HD2      LEU  55   0.692  22.981 -12.387
  506    H    LEU  56           HN       LEU  56  -0.733  21.980 -14.689
  507    HA   LEU  56           HA       LEU  56  -0.125  21.867 -17.499
  508   1HB   LEU  56          2HB       LEU  56  -2.393  21.944 -18.278
  509   2HB   LEU  56          3HB       LEU  56  -2.103  20.460 -17.393
  510    HG   LEU  56           HG       LEU  56  -3.160  22.495 -15.620
  511   1HD1  LEU  56          1HD1      LEU  56  -5.513  22.080 -16.969
  512   2HD1  LEU  56          2HD1      LEU  56  -4.540  23.569 -17.014
  513   3HD1  LEU  56          3HD1      LEU  56  -4.357  22.349 -18.296
  514   1HD2  LEU  56          1HD2      LEU  56  -3.826  19.691 -16.446
  515   2HD2  LEU  56          2HD2      LEU  56  -3.372  20.337 -14.850
  516   3HD2  LEU  56          3HD2      LEU  56  -5.002  20.637 -15.502
  Start of MODEL    4
    1   1H5*    U 517          1H5*        U 517  -0.889   1.646 -29.808
    2   2H5*    U 517          2H5*        U 517  -1.875   1.853 -28.362
    3    H4*    U 517           H4*        U 517  -2.732   2.567 -30.757
    4    H3*    U 517           H3*        U 517  -4.282   1.461 -28.442
    5    H2*    U 517           H2*        U 517  -6.288   1.502 -29.708
    6   2HO*    U 517          2HO*        U 517  -4.581   2.794 -31.635
    7    H1*    U 517           H1*        U 517  -5.222   0.220 -31.911
    8    H3     U 517           H3         U 517  -7.330  -3.356 -30.228
    9    H5     U 517           H5         U 517  -4.494  -2.495 -27.271
   10    H6     U 517           H6         U 517  -3.869  -0.521 -28.584
   11   1H5*    U 518          1H5*        U 518  -4.780   5.836 -29.096
   12   2H5*    U 518          2H5*        U 518  -5.055   6.967 -27.771
   13    H4*    U 518           H4*        U 518  -7.179   6.705 -28.590
   14    H3*    U 518           H3*        U 518  -6.852   4.631 -26.417
   15    H2*    U 518           H2*        U 518  -9.134   4.093 -26.664
   16   2HO*    U 518          2HO*        U 518  -9.663   6.044 -28.587
   17    H1*    U 518           H1*        U 518  -8.939   4.368 -29.541
   18    H3     U 518           H3         U 518 -10.151   0.076 -29.769
   19    H5     U 518           H5         U 518  -6.989  -0.040 -27.025
   20    H6     U 518           H6         U 518  -6.858   2.401 -27.223
   21   1H5*    U 519          1H5*        U 519  -8.985   7.329 -24.569
   22   2H5*    U 519          2H5*        U 519  -8.539   8.974 -24.114
   23    H4*    U 519           H4*        U 519  -9.839   8.135 -22.341
   24    H3*    U 519           H3*        U 519  -6.908   8.210 -21.709
   25    H2*    U 519           H2*        U 519  -7.325   7.402 -19.517
   26   2HO*    U 519          2HO*        U 519  -9.283   8.699 -19.421
   27    H1*    U 519           H1*        U 519  -8.932   5.301 -20.339
   28    H3     U 519           H3         U 519  -4.746   3.785 -19.068
   29    H5     U 519           H5         U 519  -4.556   4.441 -23.199
   30    H6     U 519           H6         U 519  -6.735   5.549 -23.024
   31   1H5*    U 520          1H5*        U 520  -5.685  12.487 -21.102
   32   2H5*    U 520          2H5*        U 520  -6.508  13.449 -19.875
   33    H4*    U 520           H4*        U 520  -6.287  14.793 -21.822
   34    H3*    U 520           H3*        U 520  -9.087  13.834 -21.302
   35    H2*    U 520           H2*        U 520  -9.878  15.040 -23.163
   36   2HO*    U 520          2HO*        U 520  -7.573  16.237 -23.982
   37    H1*    U 520           H1*        U 520  -7.545  14.316 -24.713
   38    H3     U 520           H3         U 520 -10.422  12.364 -27.521
   39    H5     U 520           H5         U 520 -11.467  10.658 -23.841
   40    H6     U 520           H6         U 520  -9.785  12.110 -22.804
   41   1H5*    G 521          1H5*        G 521 -10.075  13.137 -18.820
   42   2H5*    G 521          2H5*        G 521 -10.841  13.281 -20.401
   43    H4*    G 521           H4*        G 521 -12.495  14.618 -18.499
   44    H3*    G 521           H3*        G 521 -11.359  12.057 -17.471
   45    H2*    G 521           H2*        G 521 -13.496  11.285 -16.778
   46   2HO*    G 521          2HO*        G 521 -14.868  13.505 -17.778
   47    H1*    G 521           H1*        G 521 -14.714  11.878 -19.224
   48    H8     G 521           H8         G 521 -11.268  10.339 -18.480
   49    H1     G 521           H1         G 521 -15.594   6.366 -21.198
   50   1H2     G 521          1H2         G 521 -17.359   7.383 -21.518
   51   2H2     G 521          2H2         G 521 -17.627   9.064 -21.110
   52   1H5*    C 522          1H5*        C 522 -11.533  15.619 -13.459
   53   2H5*    C 522          2H5*        C 522 -10.667  14.342 -12.605
   54    H4*    C 522           H4*        C 522 -12.100  15.534 -11.076
   55    H3*    C 522           H3*        C 522 -12.952  12.700 -11.675
   56    H2*    C 522           H2*        C 522 -14.564  12.880  -9.952
   57   2HO*    C 522          2HO*        C 522 -13.769  14.066  -8.320
   58    H1*    C 522           H1*        C 522 -15.273  15.534 -10.793
   59   1H4     C 522          1H4         C 522 -20.185  12.352 -13.262
   60   2H4     C 522          2H4         C 522 -19.148  11.020 -13.717
   61    H5     C 522           H5         C 522 -16.819  10.972 -13.329
   62    H6     C 522           H6         C 522 -14.892  12.204 -12.398
   63   1H5*    U 523          1H5*        U 523  -9.895  10.473  -7.599
   64   2H5*    U 523          2H5*        U 523 -11.117  11.730  -7.399
   65    H4*    U 523           H4*        U 523  -9.239  11.908  -5.802
   66    H3*    U 523           H3*        U 523  -9.830  14.176  -7.684
   67    H2*    U 523           H2*        U 523  -8.144  15.481  -6.665
   68   2HO*    U 523          2HO*        U 523  -7.454  13.498  -4.805
   69    H1*    U 523           H1*        U 523  -6.353  13.234  -6.569
   70    H3     U 523           H3         U 523  -3.702  15.246  -9.531
   71    H5     U 523           H5         U 523  -7.502  15.944 -11.148
   72    H6     U 523           H6         U 523  -8.432  14.727  -9.234
   73   1H    ALA   1           HN       ALA   1   9.416  32.390  15.962
   74    HA   ALA   1           HA       ALA   1   9.340  30.082  15.181
   75   1HB   ALA   1          1HB       ALA   1   6.818  30.238  16.814
   76   2HB   ALA   1          2HB       ALA   1   6.874  29.142  15.413
   77   3HB   ALA   1          3HB       ALA   1   8.044  28.951  16.741
   78    H    THR   2           HN       THR   2   8.938  29.967  12.991
   79    HA   THR   2           HA       THR   2   6.823  31.688  11.922
   80    HB   THR   2           HB       THR   2   9.804  31.763  11.260
   81    HG1  THR   2           HG1      THR   2   9.478  33.791  12.157
   82   1HG2  THR   2          1HG2      THR   2   7.426  32.939   9.725
   83   2HG2  THR   2          2HG2      THR   2   9.120  33.432   9.486
   84   3HG2  THR   2          3HG2      THR   2   8.611  31.772   9.092
   85    H    VAL   3           HN       VAL   3   5.830  30.937  10.062
   86    HA   VAL   3           HA       VAL   3   6.915  28.458   8.956
   87    HB   VAL   3           HB       VAL   3   4.665  27.470   8.986
   88   1HG1  VAL   3          1HG1      VAL   3   5.875  28.240  11.656
   89   2HG1  VAL   3          2HG1      VAL   3   4.571  27.042  11.478
   90   3HG1  VAL   3          3HG1      VAL   3   6.151  26.758  10.710
   91   1HG2  VAL   3          1HG2      VAL   3   2.971  28.471  10.575
   92   2HG2  VAL   3          2HG2      VAL   3   3.963  29.949  10.584
   93   3HG2  VAL   3          3HG2      VAL   3   3.231  29.378   9.065
   94    H    VAL   4           HN       VAL   4   6.811  28.390   6.742
   95    HA   VAL   4           HA       VAL   4   4.819  29.744   5.279
   96    HB   VAL   4           HB       VAL   4   6.072  31.708   6.009
   97   1HG1  VAL   4          1HG1      VAL   4   8.273  30.570   6.297
   98   2HG1  VAL   4          2HG1      VAL   4   8.448  30.535   4.526
   99   3HG1  VAL   4          3HG1      VAL   4   8.377  32.094   5.383
  100   1HG2  VAL   4          1HG2      VAL   4   6.495  31.106   3.061
  101   2HG2  VAL   4          2HG2      VAL   4   4.982  31.690   3.793
  102   3HG2  VAL   4          3HG2      VAL   4   6.435  32.718   3.813
  103    H    SER   5           HN       SER   5   4.593  28.600   3.418
  104    HA   SER   5           HA       SER   5   6.985  27.458   2.271
  105   1HB   SER   5          2HB       SER   5   6.144  25.221   2.178
  106   2HB   SER   5          3HB       SER   5   5.901  25.750   3.831
  107    HG   SER   5           HG       SER   5   3.659  26.295   3.215
  108    H    GLY   6           HN       GLY   6   6.673  26.842  -0.030
  109   1HA   GLY   6          1HA       GLY   6   4.271  28.112  -1.205
  110   2HA   GLY   6          2HA       GLY   6   5.881  28.276  -1.876
  111    H    GLN   7           HN       GLN   7   3.141  26.897  -2.689
  112    HA   GLN   7           HA       GLN   7   4.479  24.507  -3.668
  113   1HB   GLN   7          2HB       GLN   7   1.868  24.707  -2.183
  114   2HB   GLN   7          3HB       GLN   7   1.983  23.526  -3.474
  115   1HG   GLN   7          2HG       GLN   7   4.405  23.331  -1.935
  116   2HG   GLN   7          3HG       GLN   7   3.075  23.383  -0.794
  117   1HE2  GLN   7          1HE2      GLN   7   2.366  21.485  -0.235
  118   2HE2  GLN   7          2HE2      GLN   7   2.253  20.064  -1.220
  119    H    LYS   8           HN       LYS   8   3.621  23.705  -5.745
  120    HA   LYS   8           HA       LYS   8   1.655  25.305  -7.085
  121   1HB   LYS   8          2HB       LYS   8   3.061  26.161  -8.838
  122   2HB   LYS   8          3HB       LYS   8   3.677  26.721  -7.297
  123   1HG   LYS   8          2HG       LYS   8   5.370  24.865  -7.312
  124   2HG   LYS   8          3HG       LYS   8   4.762  24.333  -8.867
  125   1HD   LYS   8          2HD       LYS   8   5.211  26.981  -9.423
  126   2HD   LYS   8          3HD       LYS   8   6.437  26.720  -8.198
  127   1HE   LYS   8          2HE       LYS   8   6.332  24.511 -10.156
  128   2HE   LYS   8          3HE       LYS   8   6.651  26.056 -10.918
  129   1HZ   LYS   8          1HZ       LYS   8   8.448  26.393  -9.370
  130   2HZ   LYS   8          2HZ       LYS   8   8.141  24.970  -8.630
  131   3HZ   LYS   8          3HZ       LYS   8   8.663  24.989 -10.178
  132    H    GLN   9           HN       GLN   9   1.038  24.340  -9.170
  133    HA   GLN   9           HA       GLN   9   2.277  21.946  -9.975
  134   1HB   GLN   9          2HB       GLN   9   0.750  21.441  -7.826
  135   2HB   GLN   9          3HB       GLN   9  -0.533  21.436  -9.020
  136   1HG   GLN   9          2HG       GLN   9   2.002  19.846  -9.521
  137   2HG   GLN   9          3HG       GLN   9   0.752  19.191  -8.482
  138   1HE2  GLN   9          1HE2      GLN   9   1.877  18.766 -11.346
  139   2HE2  GLN   9          2HE2      GLN   9   0.466  18.540 -12.325
  140    H    ASP  10           HN       ASP  10   2.159  22.296 -12.151
  141    HA   ASP  10           HA       ASP  10  -0.434  22.581 -13.300
  142   1HB   ASP  10          2HB       ASP  10   0.650  24.953 -12.708
  143   2HB   ASP  10          3HB       ASP  10   1.604  24.652 -14.146
  144    H    ARG  11           HN       ARG  11  -0.392  21.769 -15.482
  145    HA   ARG  11           HA       ARG  11   2.260  21.220 -16.529
  146   1HB   ARG  11          2HB       ARG  11   0.393  19.269 -15.567
  147   2HB   ARG  11          3HB       ARG  11   0.375  19.137 -17.315
  148   1HG   ARG  11          2HG       ARG  11   2.311  17.967 -17.202
  149   2HG   ARG  11          3HG       ARG  11   3.116  19.417 -16.640
  150   1HD   ARG  11          2HD       ARG  11   3.516  18.310 -14.692
  151   2HD   ARG  11          3HD       ARG  11   1.809  18.490 -14.336
  152    HE   ARG  11           HE       ARG  11   2.459  16.190 -16.059
  153   1HH1  ARG  11          2HH2      ARG  11   1.967  17.330 -12.767
  154   2HH1  ARG  11          1HH2      ARG  11   1.632  15.753 -12.135
  155   1HH2  ARG  11          2HH1      ARG  11   2.017  14.109 -15.226
  156   2HH2  ARG  11          1HH1      ARG  11   1.661  13.908 -13.543
  157    H    GLN  12           HN       GLN  12   2.453  21.529 -18.787
  158    HA   GLN  12           HA       GLN  12   0.167  22.784 -19.991
  159   1HB   GLN  12          2HB       GLN  12   1.737  23.471 -21.749
  160   2HB   GLN  12          3HB       GLN  12   2.412  23.828 -20.172
  161   1HG   GLN  12          2HG       GLN  12   3.768  21.737 -20.263
  162   2HG   GLN  12          3HG       GLN  12   3.070  21.340 -21.821
  163   1HE2  GLN  12          1HE2      GLN  12   5.251  21.304 -22.578
  164   2HE2  GLN  12          2HE2      GLN  12   6.062  22.763 -23.042
  165    H    GLY  13           HN       GLY  13  -0.603  22.174 -22.185
  166   1HA   GLY  13          1HA       GLY  13  -0.235  20.412 -23.941
  167   2HA   GLY  13          2HA       GLY  13  -0.324  19.263 -22.622
  168    H    GLY  14           HN       GLY  14  -2.195  22.166 -23.785
  169   1HA   GLY  14          1HA       GLY  14  -4.676  20.891 -22.927
  170   2HA   GLY  14          2HA       GLY  14  -4.457  22.536 -23.489
  171    H    GLU  15           HN       GLU  15  -5.387  19.318 -24.349
  172    HA   GLU  15           HA       GLU  15  -5.194  19.970 -27.174
  173   1HB   GLU  15          2HB       GLU  15  -5.412  17.394 -25.616
  174   2HB   GLU  15          3HB       GLU  15  -5.996  17.425 -27.269
  175   1HG   GLU  15          2HG       GLU  15  -3.351  18.721 -26.959
  176   2HG   GLU  15          3HG       GLU  15  -3.342  17.035 -26.483
  177    H    ARG  16           HN       ARG  16  -7.529  18.363 -24.882
  178    HA   ARG  16           HA       ARG  16  -9.676  18.517 -24.670
  179   1HB   ARG  16          2HB       ARG  16  -8.995  21.126 -25.373
  180   2HB   ARG  16          3HB       ARG  16 -10.216  20.744 -26.570
  181   1HG   ARG  16          2HG       ARG  16 -11.240  19.733 -24.118
  182   2HG   ARG  16          3HG       ARG  16 -10.543  21.289 -23.715
  183   1HD   ARG  16          2HD       ARG  16 -12.186  21.201 -26.224
  184   2HD   ARG  16          3HD       ARG  16 -13.067  20.993 -24.723
  185    HE   ARG  16           HE       ARG  16 -11.441  23.172 -24.195
  186   1HH1  ARG  16          2HH2      ARG  16 -13.744  22.412 -26.743
  187   2HH1  ARG  16          1HH2      ARG  16 -14.178  24.066 -27.021
  188   1HH2  ARG  16          2HH1      ARG  16 -12.012  25.354 -24.559
  189   2HH2  ARG  16          1HH1      ARG  16 -13.186  25.751 -25.770
  190    H    ARG  17           HN       ARG  17 -10.864  16.893 -25.623
  191    HA   ARG  17           HA       ARG  17 -12.002  17.155 -28.091
  192   1HB   ARG  17          2HB       ARG  17  -9.316  16.485 -28.436
  193   2HB   ARG  17          3HB       ARG  17 -10.087  14.912 -28.480
  194   1HG   ARG  17          2HG       ARG  17 -11.740  15.882 -30.188
  195   2HG   ARG  17          3HG       ARG  17 -10.736  17.316 -30.243
  196   1HD   ARG  17          2HD       ARG  17  -8.760  15.835 -30.864
  197   2HD   ARG  17          3HD       ARG  17  -9.860  14.473 -30.946
  198    HE   ARG  17           HE       ARG  17  -9.635  16.657 -32.887
  199   1HH1  ARG  17          2HH2      ARG  17 -11.724  14.119 -31.634
  200   2HH1  ARG  17          1HH2      ARG  17 -12.678  14.016 -33.075
  201   1HH2  ARG  17          2HH1      ARG  17 -10.892  16.522 -34.790
  202   2HH2  ARG  17          1HH1      ARG  17 -12.202  15.392 -34.883
  203    H    ARG  18           HN       ARG  18 -13.754  15.742 -28.077
  204    HA   ARG  18           HA       ARG  18 -13.421  13.203 -26.784
  205   1HB   ARG  18          2HB       ARG  18 -15.483  15.266 -25.856
  206   2HB   ARG  18          3HB       ARG  18 -15.529  13.575 -25.395
  207   1HG   ARG  18          2HG       ARG  18 -13.354  13.751 -24.278
  208   2HG   ARG  18          3HG       ARG  18 -13.117  15.377 -24.889
  209   1HD   ARG  18          2HD       ARG  18 -15.628  14.888 -23.307
  210   2HD   ARG  18          3HD       ARG  18 -14.121  14.869 -22.412
  211    HE   ARG  18           HE       ARG  18 -14.015  17.156 -24.065
  212   1HH1  ARG  18          2HH2      ARG  18 -16.018  15.955 -21.434
  213   2HH1  ARG  18          1HH2      ARG  18 -16.436  17.535 -20.861
  214   1HH2  ARG  18          2HH1      ARG  18 -14.567  19.240 -23.311
  215   2HH2  ARG  18          1HH1      ARG  18 -15.605  19.416 -21.936
  216    H    SER  19           HN       SER  19 -13.646  13.016 -29.314
  217    HA   SER  19           HA       SER  19 -15.766  13.640 -30.765
  218   1HB   SER  19          2HB       SER  19 -13.724  11.614 -30.840
  219   2HB   SER  19          3HB       SER  19 -15.231  10.857 -31.314
  220    HG   SER  19           HG       SER  19 -13.736  12.147 -32.945
  221    H    GLN  20           HN       GLN  20 -17.839  13.713 -29.867
  222    HA   GLN  20           HA       GLN  20 -19.623  13.046 -28.757
  223   1HB   GLN  20          2HB       GLN  20 -19.156  11.251 -31.060
  224   2HB   GLN  20          3HB       GLN  20 -20.261  10.574 -29.879
  225   1HG   GLN  20          2HG       GLN  20 -21.419  12.936 -29.935
  226   2HG   GLN  20          3HG       GLN  20 -20.523  13.179 -31.421
  227   1HE2  GLN  20          1HE2      GLN  20 -23.436  12.585 -30.496
  228   2HE2  GLN  20          2HE2      GLN  20 -24.010  11.419 -31.642
  229    H    LEU  21           HN       LEU  21 -17.704  12.649 -26.956
  230    HA   LEU  21           HA       LEU  21 -17.681   9.865 -26.149
  231   1HB   LEU  21          2HB       LEU  21 -15.766  11.723 -26.107
  232   2HB   LEU  21          3HB       LEU  21 -16.447  12.029 -24.521
  233    HG   LEU  21           HG       LEU  21 -15.170   9.491 -25.545
  234   1HD1  LEU  21          1HD1      LEU  21 -13.697   9.795 -23.599
  235   2HD1  LEU  21          2HD1      LEU  21 -13.640  11.184 -24.709
  236   3HD1  LEU  21          3HD1      LEU  21 -14.559  11.297 -23.189
  237   1HD2  LEU  21          1HD2      LEU  21 -15.770   8.902 -22.957
  238   2HD2  LEU  21          2HD2      LEU  21 -17.224   9.800 -23.452
  239   3HD2  LEU  21          3HD2      LEU  21 -16.712   8.361 -24.366
  240    H    ASP  22           HN       ASP  22 -19.527   9.147 -25.206
  241    HA   ASP  22           HA       ASP  22 -21.199  10.938 -23.806
  242   1HB   ASP  22          2HB       ASP  22 -21.225   7.884 -23.802
  243   2HB   ASP  22          3HB       ASP  22 -22.558   8.925 -23.343
  244    H    ARG  23           HN       ARG  23 -21.588  10.964 -21.478
  245    HA   ARG  23           HA       ARG  23 -19.340  10.564 -19.938
  246   1HB   ARG  23          2HB       ARG  23 -22.241  11.185 -19.408
  247   2HB   ARG  23          3HB       ARG  23 -21.276  10.682 -18.035
  248   1HG   ARG  23          2HG       ARG  23 -20.547  12.967 -19.929
  249   2HG   ARG  23          3HG       ARG  23 -21.294  13.175 -18.357
  250   1HD   ARG  23          2HD       ARG  23 -19.000  11.481 -17.977
  251   2HD   ARG  23          3HD       ARG  23 -18.487  12.821 -18.984
  252    HE   ARG  23           HE       ARG  23 -20.103  13.767 -16.774
  253   1HH1  ARG  23          2HH2      ARG  23 -16.876  12.619 -17.579
  254   2HH1  ARG  23          1HH2      ARG  23 -16.111  13.465 -16.276
  255   1HH2  ARG  23          2HH1      ARG  23 -19.095  14.884 -15.054
  256   2HH2  ARG  23          1HH1      ARG  23 -17.383  14.762 -14.830
  257    H    ASP  24           HN       ASP  24 -21.609   8.304 -21.158
  258    HA   ASP  24           HA       ASP  24 -20.899   6.435 -19.035
  259   1HB   ASP  24          2HB       ASP  24 -22.984   5.241 -19.507
  260   2HB   ASP  24          3HB       ASP  24 -23.346   6.925 -19.182
  261    H    GLN  25           HN       GLN  25 -19.284   7.119 -21.410
  262    HA   GLN  25           HA       GLN  25 -19.607   4.652 -22.935
  263   1HB   GLN  25          2HB       GLN  25 -19.283   7.413 -23.789
  264   2HB   GLN  25          3HB       GLN  25 -17.939   6.457 -24.380
  265   1HG   GLN  25          2HG       GLN  25 -20.001   4.739 -24.928
  266   2HG   GLN  25          3HG       GLN  25 -20.851   6.266 -25.055
  267   1HE2  GLN  25          1HE2      GLN  25 -20.589   4.687 -27.230
  268   2HE2  GLN  25          2HE2      GLN  25 -19.508   5.377 -28.395
  269    H    CYS  26           HN       CYS  26 -17.268   4.171 -24.086
  270    HA   CYS  26           HA       CYS  26 -15.355   4.260 -21.869
  271   1HB   CYS  26          2HB       CYS  26 -16.079   1.989 -22.264
  272   2HB   CYS  26          3HB       CYS  26 -15.784   2.130 -23.986
  273    H    ALA  27           HN       ALA  27 -13.336   5.168 -22.308
  274    HA   ALA  27           HA       ALA  27 -12.979   6.161 -25.043
  275   1HB   ALA  27          1HB       ALA  27 -13.067   7.878 -23.308
  276   2HB   ALA  27          2HB       ALA  27 -11.805   7.040 -22.375
  277   3HB   ALA  27          3HB       ALA  27 -11.411   7.767 -23.950
  278    H    TYR  28           HN       TYR  28 -12.521   3.377 -24.485
  279    HA   TYR  28           HA       TYR  28  -9.613   3.327 -24.884
  280   1HB   TYR  28          2HB       TYR  28 -10.811   2.542 -22.564
  281   2HB   TYR  28          3HB       TYR  28 -11.186   1.109 -23.500
  282    HD1  TYR  28           HD1      TYR  28  -8.218   3.298 -22.773
  283    HD2  TYR  28           HD2      TYR  28  -9.708  -0.670 -23.354
  284    HE1  TYR  28           HE1      TYR  28  -5.917   2.349 -22.254
  285    HE2  TYR  28           HE2      TYR  28  -7.402  -1.605 -22.834
  286    HH   TYR  28           HH       TYR  28  -4.978   0.264 -21.421
  287    H    CYS  29           HN       CYS  29 -12.728   1.474 -25.124
  288    HA   CYS  29           HA       CYS  29 -11.613   0.219 -27.521
  289   1HB   CYS  29          2HB       CYS  29 -13.264  -1.563 -27.190
  290   2HB   CYS  29          3HB       CYS  29 -12.227  -1.389 -25.788
  291    H    LYS  30           HN       LYS  30 -13.975   2.427 -26.169
  292    HA   LYS  30           HA       LYS  30 -15.192   3.932 -27.332
  293   1HB   LYS  30          2HB       LYS  30 -13.816   2.951 -29.424
  294   2HB   LYS  30          3HB       LYS  30 -15.400   2.320 -29.831
  295   1HG   LYS  30          2HG       LYS  30 -15.944   4.365 -30.643
  296   2HG   LYS  30          3HG       LYS  30 -15.892   4.982 -29.003
  297   1HD   LYS  30          2HD       LYS  30 -13.211   4.677 -30.251
  298   2HD   LYS  30          3HD       LYS  30 -14.248   5.823 -31.079
  299   1HE   LYS  30          2HE       LYS  30 -13.534   7.314 -29.500
  300   2HE   LYS  30          3HE       LYS  30 -14.698   6.534 -28.449
  301   1HZ   LYS  30          1HZ       LYS  30 -11.849   5.865 -28.684
  302   2HZ   LYS  30          2HZ       LYS  30 -12.592   6.550 -27.401
  303   3HZ   LYS  30          3HZ       LYS  30 -12.915   5.000 -27.799
  304    H    GLU  31           HN       GLU  31 -15.876   1.449 -25.758
  305    HA   GLU  31           HA       GLU  31 -18.312   0.558 -26.935
  306   1HB   GLU  31          2HB       GLU  31 -16.777  -0.026 -24.408
  307   2HB   GLU  31          3HB       GLU  31 -18.473  -0.467 -24.465
  308   1HG   GLU  31          2HG       GLU  31 -16.715  -1.230 -26.801
  309   2HG   GLU  31          3HG       GLU  31 -16.571  -2.151 -25.317
  310    H    LYS  32           HN       LYS  32 -20.213   0.436 -24.996
  311    HA   LYS  32           HA       LYS  32 -20.455   3.112 -23.866
  312   1HB   LYS  32          2HB       LYS  32 -21.498   3.186 -26.115
  313   2HB   LYS  32          3HB       LYS  32 -22.561   1.869 -25.660
  314   1HG   LYS  32          2HG       LYS  32 -23.977   3.311 -24.634
  315   2HG   LYS  32          3HG       LYS  32 -22.692   3.879 -23.585
  316   1HD   LYS  32          2HD       LYS  32 -22.802   5.871 -24.666
  317   2HD   LYS  32          3HD       LYS  32 -22.101   5.078 -26.064
  318   1HE   LYS  32          2HE       LYS  32 -24.025   5.481 -27.196
  319   2HE   LYS  32          3HE       LYS  32 -24.845   4.358 -26.128
  320   1HZ   LYS  32          1HZ       LYS  32 -24.406   7.156 -25.379
  321   2HZ   LYS  32          2HZ       LYS  32 -25.727   6.680 -26.212
  322   3HZ   LYS  32          3HZ       LYS  32 -25.449   6.090 -24.714
  323    H    GLY  33           HN       GLY  33 -20.842   2.850 -21.741
  324   1HA   GLY  33          1HA       GLY  33 -22.740   1.940 -20.322
  325   2HA   GLY  33          2HA       GLY  33 -22.212   0.373 -20.903
  326    H    HIS  34           HN       HIS  34 -19.447   0.495 -20.882
  327    HA   HIS  34           HA       HIS  34 -18.957   0.822 -18.026
  328   1HB   HIS  34          2HB       HIS  34 -17.190  -0.773 -18.277
  329   2HB   HIS  34          3HB       HIS  34 -18.634  -1.418 -19.032
  330    HD1  HIS  34           HD1      HIS  34 -18.402  -2.222 -21.404
  331    HD2  HIS  34           HD2      HIS  34 -15.276   0.333 -20.267
  332    HE1  HIS  34           HE1      HIS  34 -16.729  -2.238 -23.331
  333    H    TRP  35           HN       TRP  35 -16.729   1.619 -17.392
  334    HA   TRP  35           HA       TRP  35 -16.093   3.910 -19.081
  335   1HB   TRP  35          2HB       TRP  35 -15.861   3.258 -16.194
  336   2HB   TRP  35          3HB       TRP  35 -14.606   4.274 -16.873
  337    HD1  TRP  35           HD1      TRP  35 -18.387   4.466 -17.808
  338    HE1  TRP  35           HE1      TRP  35 -19.352   6.867 -17.288
  339    HE3  TRP  35           HE3      TRP  35 -14.157   6.272 -15.639
  340    HZ2  TRP  35           HZ2      TRP  35 -18.262   9.199 -16.057
  341    HZ3  TRP  35           HZ3      TRP  35 -14.192   8.621 -14.805
  342    HH2  TRP  35           HH2      TRP  35 -16.152  10.070 -14.986
  343    H    ALA  36           HN       ALA  36 -13.685   4.424 -19.315
  344    HA   ALA  36           HA       ALA  36 -12.382   2.306 -20.542
  345   1HB   ALA  36          1HB       ALA  36 -11.808   4.512 -21.184
  346   2HB   ALA  36          2HB       ALA  36 -11.513   5.017 -19.502
  347   3HB   ALA  36          3HB       ALA  36 -10.373   3.918 -20.314
  348    H    LYS  37           HN       LYS  37 -12.202   3.612 -17.194
  349    HA   LYS  37           HA       LYS  37  -9.999   2.012 -16.445
  350   1HB   LYS  37          2HB       LYS  37 -12.019   3.720 -15.039
  351   2HB   LYS  37          3HB       LYS  37 -11.066   2.599 -14.089
  352   1HG   LYS  37          2HG       LYS  37  -9.212   3.901 -14.255
  353   2HG   LYS  37          3HG       LYS  37  -9.350   3.986 -16.000
  354   1HD   LYS  37          2HD       LYS  37 -11.431   5.600 -14.702
  355   2HD   LYS  37          3HD       LYS  37  -9.837   6.078 -14.158
  356   1HE   LYS  37          2HE       LYS  37 -10.397   7.378 -16.150
  357   2HE   LYS  37          3HE       LYS  37  -9.095   6.277 -16.555
  358   1HZ   LYS  37          1HZ       LYS  37 -11.919   5.637 -17.032
  359   2HZ   LYS  37          2HZ       LYS  37 -10.962   6.344 -18.152
  360   3HZ   LYS  37          3HZ       LYS  37 -10.613   4.844 -17.608
  361    H    ASP  38           HN       ASP  38 -13.274   1.287 -17.181
  362    HA   ASP  38           HA       ASP  38 -13.029  -1.176 -15.638
  363   1HB   ASP  38          2HB       ASP  38 -15.012   0.610 -15.321
  364   2HB   ASP  38          3HB       ASP  38 -15.669  -0.195 -16.732
  365    H    CYS  39           HN       CYS  39 -12.192  -0.179 -18.511
  366    HA   CYS  39           HA       CYS  39 -13.854  -1.390 -20.379
  367   1HB   CYS  39          2HB       CYS  39 -12.087   0.291 -20.894
  368   2HB   CYS  39          3HB       CYS  39 -10.861  -0.921 -20.581
  369    HA   PRO  40           HA       PRO  40 -12.843  -5.550 -19.393
  370   1HB   PRO  40          2HB       PRO  40 -14.481  -6.770 -21.209
  371   2HB   PRO  40          3HB       PRO  40 -15.029  -6.230 -19.634
  372   1HG   PRO  40          2HG       PRO  40 -15.515  -5.011 -22.283
  373   2HG   PRO  40          3HG       PRO  40 -16.378  -4.751 -20.780
  374   1HD   PRO  40          2HD       PRO  40 -14.454  -2.994 -21.979
  375   2HD   PRO  40          3HD       PRO  40 -15.231  -2.791 -20.421
  376    H    LYS  41           HN       LYS  41 -11.868  -3.800 -21.947
  377    HA   LYS  41           HA       LYS  41 -10.638  -6.104 -23.256
  378   1HB   LYS  41          2HB       LYS  41 -11.885  -4.548 -24.681
  379   2HB   LYS  41          3HB       LYS  41 -10.894  -3.212 -24.132
  380   1HG   LYS  41          2HG       LYS  41  -9.068  -5.235 -24.976
  381   2HG   LYS  41          3HG       LYS  41 -10.322  -5.185 -26.199
  382   1HD   LYS  41          2HD       LYS  41  -9.002  -3.482 -27.031
  383   2HD   LYS  41          3HD       LYS  41  -9.968  -2.522 -25.927
  384   1HE   LYS  41          2HE       LYS  41  -7.656  -1.942 -25.517
  385   2HE   LYS  41          3HE       LYS  41  -8.187  -2.893 -24.145
  386   1HZ   LYS  41          1HZ       LYS  41  -7.286  -4.780 -25.772
  387   2HZ   LYS  41          2HZ       LYS  41  -6.283  -3.557 -26.180
  388   3HZ   LYS  41          3HZ       LYS  41  -6.369  -4.060 -24.628
  389    H    LYS  42           HN       LYS  42 -10.050  -3.586 -20.951
  390    HA   LYS  42           HA       LYS  42  -7.375  -3.038 -21.429
  391   1HB   LYS  42          2HB       LYS  42  -9.305  -2.715 -19.237
  392   2HB   LYS  42          3HB       LYS  42  -7.654  -2.902 -18.684
  393   1HG   LYS  42          2HG       LYS  42  -6.995  -1.123 -20.434
  394   2HG   LYS  42          3HG       LYS  42  -8.709  -0.835 -20.663
  395   1HD   LYS  42          2HD       LYS  42  -8.987   0.108 -18.543
  396   2HD   LYS  42          3HD       LYS  42  -7.685  -0.825 -17.833
  397   1HE   LYS  42          2HE       LYS  42  -6.055   0.692 -18.472
  398   2HE   LYS  42          3HE       LYS  42  -6.860   1.094 -19.975
  399   1HZ   LYS  42          1HZ       LYS  42  -7.385   2.935 -18.869
  400   2HZ   LYS  42          2HZ       LYS  42  -8.571   2.044 -18.185
  401   3HZ   LYS  42          3HZ       LYS  42  -7.164   2.279 -17.389
  402    HA   PRO  43           HA       PRO  43  -5.334  -6.658 -20.268
  403   1HB   PRO  43          2HB       PRO  43  -2.897  -5.705 -19.478
  404   2HB   PRO  43          3HB       PRO  43  -3.345  -5.917 -21.160
  405   1HG   PRO  43          2HG       PRO  43  -3.139  -3.417 -19.596
  406   2HG   PRO  43          3HG       PRO  43  -3.162  -3.625 -21.336
  407   1HD   PRO  43          2HD       PRO  43  -5.329  -2.724 -19.687
  408   2HD   PRO  43          3HD       PRO  43  -5.386  -3.043 -21.408
  409    H    ARG  44           HN       ARG  44  -5.819  -8.016 -18.674
  410    HA   ARG  44           HA       ARG  44  -5.782  -6.793 -16.051
  411   1HB   ARG  44          2HB       ARG  44  -7.835  -8.064 -16.980
  412   2HB   ARG  44          3HB       ARG  44  -6.894  -9.534 -16.815
  413   1HG   ARG  44          2HG       ARG  44  -6.659  -9.191 -14.397
  414   2HG   ARG  44          3HG       ARG  44  -7.393  -7.603 -14.503
  415   1HD   ARG  44          2HD       ARG  44  -9.521  -8.454 -14.545
  416   2HD   ARG  44          3HD       ARG  44  -9.095  -9.721 -15.678
  417    HE   ARG  44           HE       ARG  44  -8.648 -11.177 -13.880
  418   1HH1  ARG  44          2HH2      ARG  44  -9.042  -7.887 -12.695
  419   2HH1  ARG  44          1HH2      ARG  44  -9.095  -8.358 -11.028
  420   1HH2  ARG  44          2HH1      ARG  44  -8.719 -11.799 -11.681
  421   2HH2  ARG  44          1HH1      ARG  44  -8.911 -10.597 -10.448
  422    H    GLY  45           HN       GLY  45  -3.350  -6.904 -16.022
  423   1HA   GLY  45          1HA       GLY  45  -1.522  -7.849 -15.079
  424   2HA   GLY  45          2HA       GLY  45  -2.454  -9.287 -14.714
  425    HA   PRO  46           HA       PRO  46  -0.520  -9.962 -14.358
  426   1HB   PRO  46          2HB       PRO  46   2.133 -10.609 -14.474
  427   2HB   PRO  46          3HB       PRO  46   0.854 -11.807 -14.461
  428   1HG   PRO  46          2HG       PRO  46   2.527 -10.905 -16.726
  429   2HG   PRO  46          3HG       PRO  46   1.563 -12.363 -16.584
  430   1HD   PRO  46          2HD       PRO  46   0.898 -10.003 -18.074
  431   2HD   PRO  46          3HD       PRO  46  -0.115 -11.413 -17.837
  432    H    ARG  47           HN       ARG  47   0.122  -8.499 -12.821
  433    HA   ARG  47           HA       ARG  47   0.982  -6.059 -14.013
  434   1HB   ARG  47          2HB       ARG  47  -0.566  -6.749 -11.780
  435   2HB   ARG  47          3HB       ARG  47   0.920  -6.175 -11.049
  436   1HG   ARG  47          2HG       ARG  47   0.770  -4.058 -12.338
  437   2HG   ARG  47          3HG       ARG  47  -0.671  -4.633 -13.153
  438   1HD   ARG  47          2HD       ARG  47  -1.571  -3.308 -11.418
  439   2HD   ARG  47          3HD       ARG  47  -1.674  -4.921 -10.743
  440    HE   ARG  47           HE       ARG  47   0.850  -3.998  -9.967
  441   1HH1  ARG  47          2HH2      ARG  47  -2.466  -2.900  -9.549
  442   2HH1  ARG  47          1HH2      ARG  47  -2.153  -2.121  -8.034
  443   1HH2  ARG  47          2HH1      ARG  47   1.265  -2.971  -7.969
  444   2HH2  ARG  47          1HH1      ARG  47  -0.016  -2.162  -7.129
  445    H    GLY  48           HN       GLY  48   3.119  -5.464 -14.218
  446   1HA   GLY  48          1HA       GLY  48   5.044  -5.527 -12.274
  447   2HA   GLY  48          2HA       GLY  48   5.191  -7.078 -13.077
  448    HA   PRO  49           HA       PRO  49   6.303  -3.529 -16.062
  449   1HB   PRO  49          2HB       PRO  49   7.349  -1.288 -14.898
  450   2HB   PRO  49          3HB       PRO  49   5.680  -1.408 -15.416
  451   1HG   PRO  49          2HG       PRO  49   6.783  -1.509 -12.675
  452   2HG   PRO  49          3HG       PRO  49   5.134  -1.203 -13.184
  453   1HD   PRO  49          2HD       PRO  49   6.165  -3.645 -12.089
  454   2HD   PRO  49          3HD       PRO  49   4.548  -3.374 -12.706
  455    H    ARG  50           HN       ARG  50   7.744  -5.277 -16.455
  456    HA   ARG  50           HA       ARG  50  10.020  -5.660 -15.057
  457   1HB   ARG  50          2HB       ARG  50   8.924  -6.488 -17.584
  458   2HB   ARG  50          3HB       ARG  50  10.588  -6.030 -17.886
  459   1HG   ARG  50          2HG       ARG  50  11.449  -7.639 -16.363
  460   2HG   ARG  50          3HG       ARG  50   9.928  -7.788 -15.505
  461   1HD   ARG  50          2HD       ARG  50   9.314  -9.518 -16.840
  462   2HD   ARG  50          3HD       ARG  50   9.440  -8.497 -18.259
  463    HE   ARG  50           HE       ARG  50  12.076  -9.289 -17.424
  464   1HH1  ARG  50          2HH2      ARG  50   9.183 -10.588 -18.948
  465   2HH1  ARG  50          1HH2      ARG  50  10.040 -11.809 -19.829
  466   1HH2  ARG  50          2HH1      ARG  50  13.208 -10.899 -18.584
  467   2HH2  ARG  50          1HH1      ARG  50  12.345 -11.988 -19.620
  468    HA   PRO  51           HA       PRO  51  12.065  -1.865 -16.120
  469   1HB   PRO  51          2HB       PRO  51  13.918  -1.924 -14.112
  470   2HB   PRO  51          3HB       PRO  51  12.323  -1.222 -13.925
  471   1HG   PRO  51          2HG       PRO  51  13.347  -3.796 -12.894
  472   2HG   PRO  51          3HG       PRO  51  11.938  -2.889 -12.380
  473   1HD   PRO  51          2HD       PRO  51  11.959  -5.242 -14.021
  474   2HD   PRO  51          3HD       PRO  51  10.564  -4.269 -13.603
  475    H    GLN  52           HN       GLN  52  13.801  -4.814 -15.309
  476    HA   GLN  52           HA       GLN  52  15.705  -5.596 -16.061
  477   1HB   GLN  52          2HB       GLN  52  13.827  -5.606 -18.070
  478   2HB   GLN  52          3HB       GLN  52  15.157  -4.801 -18.880
  479   1HG   GLN  52          2HG       GLN  52  16.663  -6.721 -18.007
  480   2HG   GLN  52          3HG       GLN  52  15.184  -7.550 -17.565
  481   1HE2  GLN  52          1HE2      GLN  52  13.579  -7.928 -19.228
  482   2HE2  GLN  52          2HE2      GLN  52  14.071  -8.215 -20.864
  483    H    THR  53           HN       THR  53  16.976  -3.862 -14.979
  484    HA   THR  53           HA       THR  53  18.110  -1.953 -16.914
  485    HB   THR  53           HB       THR  53  16.944  -0.931 -14.972
  486    HG1  THR  53           HG1      THR  53  18.714   0.412 -14.838
  487   1HG2  THR  53          1HG2      THR  53  17.809  -1.262 -12.690
  488   2HG2  THR  53          2HG2      THR  53  17.305  -2.843 -13.336
  489   3HG2  THR  53          3HG2      THR  53  19.032  -2.410 -13.288
  490    H    SER  54           HN       SER  54  18.953  -4.183 -14.191
  491    HA   SER  54           HA       SER  54  21.443  -4.642 -15.599
  492   1HB   SER  54          2HB       SER  54  21.386  -2.985 -13.390
  493   2HB   SER  54          3HB       SER  54  21.708  -4.534 -12.637
  494    HG   SER  54           HG       SER  54  23.496  -4.793 -14.213
  495    H    LEU  55           HN       LEU  55  20.408  -6.678 -16.203
  496    HA   LEU  55           HA       LEU  55  21.017  -8.798 -14.549
  497   1HB   LEU  55          2HB       LEU  55  18.626  -7.522 -13.733
  498   2HB   LEU  55          3HB       LEU  55  18.158  -9.025 -14.503
  499    HG   LEU  55           HG       LEU  55  20.397  -9.358 -12.639
  500   1HD1  LEU  55          1HD1      LEU  55  17.862  -8.049 -11.707
  501   2HD1  LEU  55          2HD1      LEU  55  18.712  -9.204 -10.651
  502   3HD1  LEU  55          3HD1      LEU  55  19.549  -7.742 -11.227
  503   1HD2  LEU  55          1HD2      LEU  55  18.252 -10.862 -13.721
  504   2HD2  LEU  55          2HD2      LEU  55  19.574 -11.415 -12.665
  505   3HD2  LEU  55          3HD2      LEU  55  18.046 -10.843 -11.953
  506    H    LEU  56           HN       LEU  56  19.606 -10.866 -15.400
  507    HA   LEU  56           HA       LEU  56  19.203 -12.175 -17.130
  508   1HB   LEU  56          2HB       LEU  56  18.064  -9.583 -18.098
  509   2HB   LEU  56          3HB       LEU  56  18.152 -10.946 -19.197
  510    HG   LEU  56           HG       LEU  56  16.932 -12.261 -17.309
  511   1HD1  LEU  56          1HD1      LEU  56  15.428 -10.843 -15.941
  512   2HD1  LEU  56          2HD1      LEU  56  17.149 -10.646 -15.531
  513   3HD1  LEU  56          3HD1      LEU  56  16.317  -9.406 -16.500
  514   1HD2  LEU  56          1HD2      LEU  56  15.073 -10.270 -18.484
  515   2HD2  LEU  56          2HD2      LEU  56  16.111 -11.161 -19.622
  516   3HD2  LEU  56          3HD2      LEU  56  15.034 -12.049 -18.518
  Start of MODEL    5
    1   1H5*    U 517          1H5*        U 517  -2.090   0.160 -31.643
    2   2H5*    U 517          2H5*        U 517  -2.021   1.127 -30.169
    3    H4*    U 517           H4*        U 517  -3.366   2.214 -31.878
    4    H3*    U 517           H3*        U 517  -4.767   1.316 -29.374
    5    H2*    U 517           H2*        U 517  -6.787   2.206 -30.143
    6   2HO*    U 517          2HO*        U 517  -5.562   3.421 -32.381
    7    H1*    U 517           H1*        U 517  -6.098   1.492 -32.900
    8    H3     U 517           H3         U 517 -10.325  -0.130 -32.485
    9    H5     U 517           H5         U 517  -8.011  -2.656 -30.075
   10    H6     U 517           H6         U 517  -6.129  -1.130 -30.455
   11   1H5*    U 518          1H5*        U 518  -4.460   5.359 -29.641
   12   2H5*    U 518          2H5*        U 518  -4.459   6.585 -28.375
   13    H4*    U 518           H4*        U 518  -6.675   6.530 -28.994
   14    H3*    U 518           H3*        U 518  -6.357   4.637 -26.661
   15    H2*    U 518           H2*        U 518  -8.665   4.275 -26.677
   16   2HO*    U 518          2HO*        U 518  -9.380   6.366 -26.781
   17    H1*    U 518           H1*        U 518  -8.730   4.560 -29.595
   18    H3     U 518           H3         U 518 -10.755   0.580 -29.697
   19    H5     U 518           H5         U 518  -7.456  -0.165 -27.227
   20    H6     U 518           H6         U 518  -6.883   2.210 -27.443
   21   1H5*    U 519          1H5*        U 519  -8.394   6.584 -24.877
   22   2H5*    U 519          2H5*        U 519  -8.375   8.299 -24.466
   23    H4*    U 519           H4*        U 519  -9.587   7.350 -22.737
   24    H3*    U 519           H3*        U 519  -6.736   7.753 -21.895
   25    H2*    U 519           H2*        U 519  -7.224   6.900 -19.734
   26   2HO*    U 519          2HO*        U 519  -9.399   6.792 -19.126
   27    H1*    U 519           H1*        U 519  -8.527   4.637 -20.667
   28    H3     U 519           H3         U 519  -4.321   3.579 -19.046
   29    H5     U 519           H5         U 519  -3.865   4.256 -23.153
   30    H6     U 519           H6         U 519  -6.157   5.125 -23.164
   31   1H5*    U 520          1H5*        U 520  -6.856  12.244 -19.588
   32   2H5*    U 520          2H5*        U 520  -8.418  13.019 -19.328
   33    H4*    U 520           H4*        U 520  -6.765  13.893 -21.162
   34    H3*    U 520           H3*        U 520  -9.759  13.697 -21.342
   35    H2*    U 520           H2*        U 520  -9.703  14.647 -23.507
   36   2HO*    U 520          2HO*        U 520  -8.101  16.094 -23.726
   37    H1*    U 520           H1*        U 520  -7.465  13.032 -24.269
   38    H3     U 520           H3         U 520  -9.985  10.526 -26.961
   39    H5     U 520           H5         U 520 -12.587  11.261 -23.762
   40    H6     U 520           H6         U 520 -10.765  12.512 -22.697
   41   1H5*    G 521          1H5*        G 521 -12.034  14.884 -20.597
   42   2H5*    G 521          2H5*        G 521 -11.898  15.863 -19.137
   43    H4*    G 521           H4*        G 521 -13.590  14.463 -18.526
   44    H3*    G 521           H3*        G 521 -11.058  13.034 -17.697
   45    H2*    G 521           H2*        G 521 -12.362  11.339 -16.773
   46   2HO*    G 521          2HO*        G 521 -13.625  12.964 -15.669
   47    H1*    G 521           H1*        G 521 -14.438  11.814 -18.816
   48    H8     G 521           H8         G 521 -10.943  10.258 -18.466
   49    H1     G 521           H1         G 521 -15.482   6.407 -21.003
   50   1H2     G 521          1H2         G 521 -17.255   7.447 -21.169
   51   2H2     G 521          2H2         G 521 -17.478   9.116 -20.692
   52   1H5*    C 522          1H5*        C 522  -9.192  15.471 -13.691
   53   2H5*    C 522          2H5*        C 522  -9.346  13.722 -13.521
   54    H4*    C 522           H4*        C 522  -9.611  15.483 -11.491
   55    H3*    C 522           H3*        C 522 -10.759  12.723 -11.850
   56    H2*    C 522           H2*        C 522 -11.825  12.896  -9.754
   57   2HO*    C 522          2HO*        C 522 -10.714  14.076  -8.301
   58    H1*    C 522           H1*        C 522 -12.573  15.629 -10.264
   59   1H4     C 522          1H4         C 522 -18.160  12.724 -11.099
   60   2H4     C 522          2H4         C 522 -17.434  11.546 -12.168
   61    H5     C 522           H5         C 522 -15.136  11.500 -12.709
   62    H6     C 522           H6         C 522 -12.946  12.585 -12.354
   63   1H5*    U 523          1H5*        U 523  -7.258  11.541  -8.519
   64   2H5*    U 523          2H5*        U 523  -7.585  13.153  -9.156
   65    H4*    U 523           H4*        U 523  -5.471  13.370  -8.245
   66    H3*    U 523           H3*        U 523  -5.481  13.222 -11.149
   67    H2*    U 523           H2*        U 523  -3.279  12.525 -11.495
   68   2HO*    U 523          2HO*        U 523  -1.958  12.600  -9.345
   69    H1*    U 523           H1*        U 523  -3.100  10.545  -9.699
   70    H3     U 523           H3         U 523  -7.251   8.264 -11.074
   71    H5     U 523           H5         U 523  -5.096   9.913 -14.263
   72    H6     U 523           H6         U 523  -3.774  11.144 -12.603
   73   1H    ALA   1           HN       ALA   1 -48.312  20.773 -59.018
   74    HA   ALA   1           HA       ALA   1 -48.107  23.169 -58.545
   75   1HB   ALA   1          1HB       ALA   1 -50.115  22.683 -56.338
   76   2HB   ALA   1          2HB       ALA   1 -49.573  24.225 -57.043
   77   3HB   ALA   1          3HB       ALA   1 -50.653  23.153 -57.968
   78    H    THR   2           HN       THR   2 -49.074  20.935 -55.837
   79    HA   THR   2           HA       THR   2 -47.940  20.342 -53.999
   80    HB   THR   2           HB       THR   2 -45.875  19.079 -54.558
   81    HG1  THR   2           HG1      THR   2 -45.180  19.458 -56.889
   82   1HG2  THR   2          1HG2      THR   2 -46.710  17.637 -56.289
   83   2HG2  THR   2          2HG2      THR   2 -48.175  18.272 -55.502
   84   3HG2  THR   2          3HG2      THR   2 -47.628  18.958 -57.051
   85    H    VAL   3           HN       VAL   3 -45.394  20.488 -53.035
   86    HA   VAL   3           HA       VAL   3 -44.604  23.281 -53.287
   87    HB   VAL   3           HB       VAL   3 -45.522  21.922 -50.753
   88   1HG1  VAL   3          1HG1      VAL   3 -43.473  24.007 -51.130
   89   2HG1  VAL   3          2HG1      VAL   3 -44.755  24.437 -49.971
   90   3HG1  VAL   3          3HG1      VAL   3 -43.800  22.954 -49.733
   91   1HG2  VAL   3          1HG2      VAL   3 -46.595  24.436 -50.779
   92   2HG2  VAL   3          2HG2      VAL   3 -46.553  24.056 -52.517
   93   3HG2  VAL   3          3HG2      VAL   3 -47.412  22.978 -51.391
   94    H    VAL   4           HN       VAL   4 -42.392  23.640 -52.797
   95    HA   VAL   4           HA       VAL   4 -40.845  21.176 -52.798
   96    HB   VAL   4           HB       VAL   4 -38.986  22.662 -53.396
   97   1HG1  VAL   4          1HG1      VAL   4 -39.573  22.779 -55.603
   98   2HG1  VAL   4          2HG1      VAL   4 -40.908  21.758 -55.015
   99   3HG1  VAL   4          3HG1      VAL   4 -41.163  23.503 -55.261
  100   1HG2  VAL   4          1HG2      VAL   4 -39.872  24.659 -52.127
  101   2HG2  VAL   4          2HG2      VAL   4 -39.252  25.010 -53.759
  102   3HG2  VAL   4          3HG2      VAL   4 -41.007  24.921 -53.474
  103    H    SER   5           HN       SER   5 -38.687  21.341 -51.472
  104    HA   SER   5           HA       SER   5 -38.593  22.945 -49.233
  105   1HB   SER   5          2HB       SER   5 -39.279  21.467 -47.433
  106   2HB   SER   5          3HB       SER   5 -40.618  21.625 -48.551
  107    HG   SER   5           HG       SER   5 -39.321  19.361 -47.761
  108    H    GLY   6           HN       GLY   6 -36.418  22.950 -48.792
  109   1HA   GLY   6          1HA       GLY   6 -34.940  20.423 -49.229
  110   2HA   GLY   6          2HA       GLY   6 -34.335  21.988 -49.737
  111    H    GLN   7           HN       GLN   7 -32.769  20.462 -48.034
  112    HA   GLN   7           HA       GLN   7 -32.885  22.110 -45.658
  113   1HB   GLN   7          2HB       GLN   7 -33.918  19.659 -45.412
  114   2HB   GLN   7          3HB       GLN   7 -32.233  19.186 -45.303
  115   1HG   GLN   7          2HG       GLN   7 -32.684  19.607 -43.054
  116   2HG   GLN   7          3HG       GLN   7 -32.080  21.179 -43.545
  117   1HE2  GLN   7          1HE2      GLN   7 -33.312  22.911 -43.325
  118   2HE2  GLN   7          2HE2      GLN   7 -34.990  22.933 -42.896
  119    H    LYS   8           HN       LYS   8 -30.850  22.786 -44.968
  120    HA   LYS   8           HA       LYS   8 -28.667  22.092 -46.720
  121   1HB   LYS   8          2HB       LYS   8 -29.429  24.423 -45.580
  122   2HB   LYS   8          3HB       LYS   8 -28.253  23.895 -44.394
  123   1HG   LYS   8          2HG       LYS   8 -27.385  23.555 -47.224
  124   2HG   LYS   8          3HG       LYS   8 -27.631  25.220 -46.737
  125   1HD   LYS   8          2HD       LYS   8 -26.097  23.435 -44.856
  126   2HD   LYS   8          3HD       LYS   8 -25.290  23.941 -46.328
  127   1HE   LYS   8          2HE       LYS   8 -26.303  26.350 -45.555
  128   2HE   LYS   8          3HE       LYS   8 -26.173  25.593 -43.980
  129   1HZ   LYS   8          1HZ       LYS   8 -23.910  25.382 -45.782
  130   2HZ   LYS   8          2HZ       LYS   8 -24.171  26.813 -45.041
  131   3HZ   LYS   8          3HZ       LYS   8 -23.932  25.464 -44.151
  132    H    GLN   9           HN       GLN   9 -26.482  21.545 -45.770
  133    HA   GLN   9           HA       GLN   9 -26.893  19.386 -43.938
  134   1HB   GLN   9          2HB       GLN   9 -24.564  18.796 -44.458
  135   2HB   GLN   9          3HB       GLN   9 -25.453  19.107 -45.936
  136   1HG   GLN   9          2HG       GLN   9 -24.521  21.627 -45.448
  137   2HG   GLN   9          3HG       GLN   9 -23.252  20.703 -44.669
  138   1HE2  GLN   9          1HE2      GLN   9 -22.242  21.985 -46.565
  139   2HE2  GLN   9          2HE2      GLN   9 -22.018  21.109 -48.042
  140    H    ASP  10           HN       ASP  10 -25.501  19.084 -41.980
  141    HA   ASP  10           HA       ASP  10 -25.624  21.329 -40.372
  142   1HB   ASP  10          2HB       ASP  10 -23.825  18.909 -39.921
  143   2HB   ASP  10          3HB       ASP  10 -24.517  19.949 -38.692
  144    H    ARG  11           HN       ARG  11 -24.095  22.971 -39.991
  145    HA   ARG  11           HA       ARG  11 -21.718  22.856 -41.577
  146   1HB   ARG  11          2HB       ARG  11 -23.347  24.912 -41.107
  147   2HB   ARG  11          3HB       ARG  11 -22.388  25.108 -39.654
  148   1HG   ARG  11          2HG       ARG  11 -20.511  24.704 -41.763
  149   2HG   ARG  11          3HG       ARG  11 -21.711  25.807 -42.404
  150   1HD   ARG  11          2HD       ARG  11 -21.436  27.257 -40.357
  151   2HD   ARG  11          3HD       ARG  11 -20.185  26.173 -39.781
  152    HE   ARG  11           HE       ARG  11 -18.694  27.104 -41.329
  153   1HH1  ARG  11          2HH2      ARG  11 -21.985  27.948 -42.244
  154   2HH1  ARG  11          1HH2      ARG  11 -21.494  29.037 -43.498
  155   1HH2  ARG  11          2HH1      ARG  11 -18.045  28.541 -42.983
  156   2HH2  ARG  11          1HH1      ARG  11 -19.237  29.377 -43.921
  157    H    GLN  12           HN       GLN  12 -19.823  22.021 -40.765
  158    HA   GLN  12           HA       GLN  12 -19.484  21.050 -38.294
  159   1HB   GLN  12          2HB       GLN  12 -17.071  21.059 -38.749
  160   2HB   GLN  12          3HB       GLN  12 -17.955  20.656 -40.209
  161   1HG   GLN  12          2HG       GLN  12 -17.302  23.560 -39.695
  162   2HG   GLN  12          3HG       GLN  12 -16.008  22.501 -40.220
  163   1HE2  GLN  12          1HE2      GLN  12 -18.067  24.672 -41.312
  164   2HE2  GLN  12          2HE2      GLN  12 -18.412  24.107 -42.912
  165    H    GLY  13           HN       GLY  13 -18.373  21.753 -36.336
  166   1HA   GLY  13          1HA       GLY  13 -18.253  24.696 -36.054
  167   2HA   GLY  13          2HA       GLY  13 -18.993  23.658 -34.853
  168    H    GLY  14           HN       GLY  14 -17.726  23.063 -33.148
  169   1HA   GLY  14          1HA       GLY  14 -14.816  23.364 -33.456
  170   2HA   GLY  14          2HA       GLY  14 -15.723  23.400 -31.957
  171    H    GLU  15           HN       GLU  15 -13.992  21.779 -31.307
  172    HA   GLU  15           HA       GLU  15 -15.117  19.189 -31.546
  173   1HB   GLU  15          2HB       GLU  15 -12.886  19.938 -33.288
  174   2HB   GLU  15          3HB       GLU  15 -12.437  18.615 -32.231
  175   1HG   GLU  15          2HG       GLU  15 -14.815  17.634 -32.937
  176   2HG   GLU  15          3HG       GLU  15 -14.641  18.720 -34.301
  177    H    ARG  16           HN       ARG  16 -14.793  18.130 -29.616
  178    HA   ARG  16           HA       ARG  16 -12.754  19.303 -27.909
  179   1HB   ARG  16          2HB       ARG  16 -15.436  17.996 -27.352
  180   2HB   ARG  16          3HB       ARG  16 -14.216  18.010 -26.095
  181   1HG   ARG  16          2HG       ARG  16 -14.077  20.624 -26.837
  182   2HG   ARG  16          3HG       ARG  16 -15.738  20.305 -27.295
  183   1HD   ARG  16          2HD       ARG  16 -16.318  19.603 -25.035
  184   2HD   ARG  16          3HD       ARG  16 -14.636  19.578 -24.543
  185    HE   ARG  16           HE       ARG  16 -15.459  22.199 -25.529
  186   1HH1  ARG  16          2HH2      ARG  16 -15.433  20.090 -22.711
  187   2HH1  ARG  16          1HH2      ARG  16 -15.541  21.395 -21.575
  188   1HH2  ARG  16          2HH1      ARG  16 -15.602  23.919 -24.031
  189   2HH2  ARG  16          1HH1      ARG  16 -15.638  23.586 -22.331
  190    H    ARG  17           HN       ARG  17 -11.800  17.660 -26.243
  191    HA   ARG  17           HA       ARG  17 -10.865  15.454 -27.757
  192   1HB   ARG  17          2HB       ARG  17 -10.327  16.500 -24.947
  193   2HB   ARG  17          3HB       ARG  17  -9.645  14.976 -25.479
  194   1HG   ARG  17          2HG       ARG  17  -7.932  16.462 -26.068
  195   2HG   ARG  17          3HG       ARG  17  -8.819  16.359 -27.576
  196   1HD   ARG  17          2HD       ARG  17  -9.286  18.582 -27.512
  197   2HD   ARG  17          3HD       ARG  17 -10.033  18.423 -25.936
  198    HE   ARG  17           HE       ARG  17  -7.362  18.345 -25.302
  199   1HH1  ARG  17          2HH2      ARG  17  -9.265  20.549 -27.276
  200   2HH1  ARG  17          1HH2      ARG  17  -8.250  21.916 -26.957
  201   1HH2  ARG  17          2HH1      ARG  17  -6.022  20.147 -24.879
  202   2HH2  ARG  17          1HH1      ARG  17  -6.392  21.685 -25.584
  203    H    ARG  18           HN       ARG  18 -13.068  14.405 -27.983
  204    HA   ARG  18           HA       ARG  18 -13.290  12.301 -26.206
  205   1HB   ARG  18          2HB       ARG  18 -15.466  12.790 -25.131
  206   2HB   ARG  18          3HB       ARG  18 -14.291  14.011 -24.686
  207   1HG   ARG  18          2HG       ARG  18 -15.539  15.661 -25.622
  208   2HG   ARG  18          3HG       ARG  18 -15.635  14.805 -27.148
  209   1HD   ARG  18          2HD       ARG  18 -17.571  13.524 -26.407
  210   2HD   ARG  18          3HD       ARG  18 -17.382  14.075 -24.754
  211    HE   ARG  18           HE       ARG  18 -18.507  16.041 -25.318
  212   1HH1  ARG  18          2HH2      ARG  18 -17.278  14.555 -28.261
  213   2HH1  ARG  18          1HH2      ARG  18 -18.061  15.688 -29.312
  214   1HH2  ARG  18          2HH1      ARG  18 -19.540  17.537 -26.703
  215   2HH2  ARG  18          1HH1      ARG  18 -19.355  17.396 -28.420
  216    H    SER  19           HN       SER  19 -13.034  12.315 -28.910
  217    HA   SER  19           HA       SER  19 -15.113  12.660 -30.539
  218   1HB   SER  19          2HB       SER  19 -14.124  10.998 -31.999
  219   2HB   SER  19          3HB       SER  19 -12.823  11.823 -31.163
  220    HG   SER  19           HG       SER  19 -13.470   9.763 -29.585
  221    H    GLN  20           HN       GLN  20 -17.241  12.078 -30.311
  222    HA   GLN  20           HA       GLN  20 -18.994  11.004 -29.516
  223   1HB   GLN  20          2HB       GLN  20 -17.746   9.576 -31.620
  224   2HB   GLN  20          3HB       GLN  20 -18.252   8.345 -30.481
  225   1HG   GLN  20          2HG       GLN  20 -20.502   9.884 -30.472
  226   2HG   GLN  20          3HG       GLN  20 -19.923  10.255 -32.083
  227   1HE2  GLN  20          1HE2      GLN  20 -22.276   8.987 -31.794
  228   2HE2  GLN  20          2HE2      GLN  20 -22.187   7.336 -32.308
  229    H    LEU  21           HN       LEU  21 -17.481  11.298 -27.329
  230    HA   LEU  21           HA       LEU  21 -17.540   8.641 -26.079
  231   1HB   LEU  21          2HB       LEU  21 -15.253   9.284 -26.371
  232   2HB   LEU  21          3HB       LEU  21 -15.553  10.881 -25.715
  233    HG   LEU  21           HG       LEU  21 -14.392   9.054 -24.262
  234   1HD1  LEU  21          1HD1      LEU  21 -15.247  11.387 -23.617
  235   2HD1  LEU  21          2HD1      LEU  21 -16.646  10.537 -22.917
  236   3HD1  LEU  21          3HD1      LEU  21 -15.005  10.196 -22.317
  237   1HD2  LEU  21          1HD2      LEU  21 -16.511   7.538 -24.767
  238   2HD2  LEU  21          2HD2      LEU  21 -15.626   7.441 -23.227
  239   3HD2  LEU  21          3HD2      LEU  21 -17.141   8.370 -23.326
  240    H    ASP  22           HN       ASP  22 -19.562   8.733 -25.139
  241    HA   ASP  22           HA       ASP  22 -20.507  11.117 -23.987
  242   1HB   ASP  22          2HB       ASP  22 -21.401   8.286 -24.269
  243   2HB   ASP  22          3HB       ASP  22 -22.028   9.103 -22.850
  244    H    ARG  23           HN       ARG  23 -21.242  11.112 -21.550
  245    HA   ARG  23           HA       ARG  23 -18.971  10.695 -19.995
  246   1HB   ARG  23          2HB       ARG  23 -21.859  11.429 -19.388
  247   2HB   ARG  23          3HB       ARG  23 -20.728  11.165 -18.075
  248   1HG   ARG  23          2HG       ARG  23 -20.172  13.094 -20.374
  249   2HG   ARG  23          3HG       ARG  23 -20.954  13.591 -18.887
  250   1HD   ARG  23          2HD       ARG  23 -18.212  12.244 -18.996
  251   2HD   ARG  23          3HD       ARG  23 -18.445  13.979 -18.916
  252    HE   ARG  23           HE       ARG  23 -19.955  12.956 -16.788
  253   1HH1  ARG  23          2HH2      ARG  23 -16.579  12.853 -17.774
  254   2HH1  ARG  23          1HH2      ARG  23 -15.977  12.719 -16.154
  255   1HH2  ARG  23          2HH1      ARG  23 -19.162  12.782 -14.652
  256   2HH2  ARG  23          1HH1      ARG  23 -17.457  12.678 -14.367
  257    H    ASP  24           HN       ASP  24 -21.245   8.494 -21.178
  258    HA   ASP  24           HA       ASP  24 -20.745   6.722 -18.916
  259   1HB   ASP  24          2HB       ASP  24 -22.898   5.576 -19.545
  260   2HB   ASP  24          3HB       ASP  24 -23.123   7.222 -18.986
  261    H    GLN  25           HN       GLN  25 -19.242   7.301 -21.513
  262    HA   GLN  25           HA       GLN  25 -19.601   4.696 -22.777
  263   1HB   GLN  25          2HB       GLN  25 -18.940   7.416 -23.842
  264   2HB   GLN  25          3HB       GLN  25 -18.107   6.069 -24.594
  265   1HG   GLN  25          2HG       GLN  25 -20.313   4.939 -24.992
  266   2HG   GLN  25          3HG       GLN  25 -21.136   6.306 -24.266
  267   1HE2  GLN  25          1HE2      GLN  25 -18.765   5.484 -26.783
  268   2HE2  GLN  25          2HE2      GLN  25 -19.264   6.660 -27.953
  269    H    CYS  26           HN       CYS  26 -17.326   4.079 -23.963
  270    HA   CYS  26           HA       CYS  26 -15.357   4.247 -21.807
  271   1HB   CYS  26          2HB       CYS  26 -16.054   1.973 -22.218
  272   2HB   CYS  26          3HB       CYS  26 -15.791   2.138 -23.942
  273    H    ALA  27           HN       ALA  27 -13.320   5.126 -22.263
  274    HA   ALA  27           HA       ALA  27 -13.014   6.193 -24.977
  275   1HB   ALA  27          1HB       ALA  27 -11.311   7.685 -23.781
  276   2HB   ALA  27          2HB       ALA  27 -13.018   7.935 -23.345
  277   3HB   ALA  27          3HB       ALA  27 -11.947   7.020 -22.258
  278    H    TYR  28           HN       TYR  28 -12.556   3.398 -24.513
  279    HA   TYR  28           HA       TYR  28  -9.656   3.349 -24.961
  280   1HB   TYR  28          2HB       TYR  28 -10.856   2.499 -22.644
  281   2HB   TYR  28          3HB       TYR  28 -11.169   1.076 -23.618
  282    HD1  TYR  28           HD1      TYR  28  -8.193   3.351 -23.276
  283    HD2  TYR  28           HD2      TYR  28  -9.723  -0.638 -23.043
  284    HE1  TYR  28           HE1      TYR  28  -5.861   2.478 -22.761
  285    HE2  TYR  28           HE2      TYR  28  -7.386  -1.497 -22.529
  286    HH   TYR  28           HH       TYR  28  -4.605   0.620 -22.727
  287    H    CYS  29           HN       CYS  29 -12.745   1.440 -25.138
  288    HA   CYS  29           HA       CYS  29 -11.711   0.315 -27.635
  289   1HB   CYS  29          2HB       CYS  29 -13.211  -1.570 -27.283
  290   2HB   CYS  29          3HB       CYS  29 -12.160  -1.364 -25.895
  291    H    LYS  30           HN       LYS  30 -13.997   2.446 -26.113
  292    HA   LYS  30           HA       LYS  30 -15.366   3.907 -27.139
  293   1HB   LYS  30          2HB       LYS  30 -14.110   2.942 -29.354
  294   2HB   LYS  30          3HB       LYS  30 -15.748   2.407 -29.665
  295   1HG   LYS  30          2HG       LYS  30 -16.350   4.511 -30.250
  296   2HG   LYS  30          3HG       LYS  30 -15.911   5.099 -28.659
  297   1HD   LYS  30          2HD       LYS  30 -13.567   4.568 -30.400
  298   2HD   LYS  30          3HD       LYS  30 -14.644   5.794 -31.041
  299   1HE   LYS  30          2HE       LYS  30 -14.383   7.205 -29.139
  300   2HE   LYS  30          3HE       LYS  30 -13.804   5.898 -28.126
  301   1HZ   LYS  30          1HZ       LYS  30 -12.049   7.382 -28.899
  302   2HZ   LYS  30          2HZ       LYS  30 -11.792   5.842 -29.375
  303   3HZ   LYS  30          3HZ       LYS  30 -12.338   6.947 -30.446
  304    H    GLU  31           HN       GLU  31 -15.841   1.295 -25.642
  305    HA   GLU  31           HA       GLU  31 -18.390   0.486 -26.670
  306   1HB   GLU  31          2HB       GLU  31 -16.928  -1.227 -25.733
  307   2HB   GLU  31          3HB       GLU  31 -16.782  -0.353 -24.221
  308   1HG   GLU  31          2HG       GLU  31 -18.411  -2.017 -23.755
  309   2HG   GLU  31          3HG       GLU  31 -19.360  -0.568 -24.020
  310    H    LYS  32           HN       LYS  32 -20.397   1.130 -25.914
  311    HA   LYS  32           HA       LYS  32 -20.353   3.254 -23.926
  312   1HB   LYS  32          2HB       LYS  32 -22.772   2.391 -25.495
  313   2HB   LYS  32          3HB       LYS  32 -22.398   3.961 -24.813
  314   1HG   LYS  32          2HG       LYS  32 -21.561   4.565 -26.832
  315   2HG   LYS  32          3HG       LYS  32 -20.244   3.440 -26.566
  316   1HD   LYS  32          2HD       LYS  32 -20.995   2.307 -28.386
  317   2HD   LYS  32          3HD       LYS  32 -22.328   1.763 -27.389
  318   1HE   LYS  32          2HE       LYS  32 -23.722   2.844 -28.820
  319   2HE   LYS  32          3HE       LYS  32 -23.109   4.353 -28.169
  320   1HZ   LYS  32          1HZ       LYS  32 -21.962   2.891 -30.447
  321   2HZ   LYS  32          2HZ       LYS  32 -22.843   4.264 -30.535
  322   3HZ   LYS  32          3HZ       LYS  32 -21.368   4.284 -29.833
  323    H    GLY  33           HN       GLY  33 -20.775   2.839 -21.830
  324   1HA   GLY  33          1HA       GLY  33 -22.730   1.788 -20.537
  325   2HA   GLY  33          2HA       GLY  33 -22.100   0.289 -21.187
  326    H    HIS  34           HN       HIS  34 -19.352   0.541 -21.063
  327    HA   HIS  34           HA       HIS  34 -18.956   0.832 -18.180
  328   1HB   HIS  34          2HB       HIS  34 -17.219  -0.794 -18.348
  329   2HB   HIS  34          3HB       HIS  34 -18.638  -1.428 -19.158
  330    HD1  HIS  34           HD1      HIS  34 -18.235  -2.389 -21.430
  331    HD2  HIS  34           HD2      HIS  34 -15.291   0.397 -20.349
  332    HE1  HIS  34           HE1      HIS  34 -16.507  -2.411 -23.306
  333    H    TRP  35           HN       TRP  35 -16.771   1.647 -17.484
  334    HA   TRP  35           HA       TRP  35 -16.052   3.891 -19.196
  335   1HB   TRP  35          2HB       TRP  35 -15.917   3.281 -16.298
  336   2HB   TRP  35          3HB       TRP  35 -14.611   4.253 -16.949
  337    HD1  TRP  35           HD1      TRP  35 -18.376   4.514 -17.955
  338    HE1  TRP  35           HE1      TRP  35 -19.281   6.955 -17.525
  339    HE3  TRP  35           HE3      TRP  35 -14.116   6.284 -15.814
  340    HZ2  TRP  35           HZ2      TRP  35 -18.141   9.300 -16.364
  341    HZ3  TRP  35           HZ3      TRP  35 -14.096   8.659 -15.060
  342    HH2  TRP  35           HH2      TRP  35 -16.016  10.151 -15.306
  343    H    ALA  36           HN       ALA  36 -13.640   4.375 -19.393
  344    HA   ALA  36           HA       ALA  36 -12.330   2.226 -20.553
  345   1HB   ALA  36          1HB       ALA  36 -11.749   4.442 -21.197
  346   2HB   ALA  36          2HB       ALA  36 -11.422   4.930 -19.517
  347   3HB   ALA  36          3HB       ALA  36 -10.318   3.809 -20.350
  348    H    LYS  37           HN       LYS  37 -12.109   3.649 -17.243
  349    HA   LYS  37           HA       LYS  37  -9.982   1.994 -16.427
  350   1HB   LYS  37          2HB       LYS  37 -12.070   3.439 -14.768
  351   2HB   LYS  37          3HB       LYS  37 -10.560   2.780 -14.172
  352   1HG   LYS  37          2HG       LYS  37 -10.203   4.548 -16.523
  353   2HG   LYS  37          3HG       LYS  37 -10.926   5.367 -15.153
  354   1HD   LYS  37          2HD       LYS  37  -9.052   4.435 -13.697
  355   2HD   LYS  37          3HD       LYS  37  -8.302   3.804 -15.149
  356   1HE   LYS  37          2HE       LYS  37  -9.033   6.642 -15.454
  357   2HE   LYS  37          3HE       LYS  37  -7.970   6.393 -14.083
  358   1HZ   LYS  37          1HZ       LYS  37  -7.197   6.524 -16.652
  359   2HZ   LYS  37          2HZ       LYS  37  -6.297   5.923 -15.430
  360   3HZ   LYS  37          3HZ       LYS  37  -7.169   4.915 -16.372
  361    H    ASP  38           HN       ASP  38 -13.214   1.293 -17.242
  362    HA   ASP  38           HA       ASP  38 -13.100  -1.085 -15.557
  363   1HB   ASP  38          2HB       ASP  38 -15.093   0.822 -15.611
  364   2HB   ASP  38          3HB       ASP  38 -15.698  -0.303 -16.810
  365    H    CYS  39           HN       CYS  39 -12.277  -0.101 -18.522
  366    HA   CYS  39           HA       CYS  39 -13.843  -1.541 -20.309
  367   1HB   CYS  39          2HB       CYS  39 -12.226   0.270 -20.909
  368   2HB   CYS  39          3HB       CYS  39 -10.904  -0.834 -20.589
  369    HA   PRO  40           HA       PRO  40 -12.458  -5.552 -19.198
  370   1HB   PRO  40          2HB       PRO  40 -13.894  -6.979 -21.035
  371   2HB   PRO  40          3HB       PRO  40 -14.557  -6.450 -19.501
  372   1HG   PRO  40          2HG       PRO  40 -15.045  -5.362 -22.206
  373   2HG   PRO  40          3HG       PRO  40 -15.992  -5.143 -20.748
  374   1HD   PRO  40          2HD       PRO  40 -14.196  -3.243 -21.930
  375   2HD   PRO  40          3HD       PRO  40 -15.054  -3.071 -20.411
  376    H    LYS  41           HN       LYS  41 -11.546  -3.791 -21.765
  377    HA   LYS  41           HA       LYS  41 -10.093  -5.994 -23.003
  378   1HB   LYS  41          2HB       LYS  41 -11.422  -4.300 -24.345
  379   2HB   LYS  41          3HB       LYS  41 -10.229  -3.102 -23.888
  380   1HG   LYS  41          2HG       LYS  41  -8.560  -5.090 -24.749
  381   2HG   LYS  41          3HG       LYS  41  -9.961  -5.440 -25.742
  382   1HD   LYS  41          2HD       LYS  41  -9.635  -3.598 -27.048
  383   2HD   LYS  41          3HD       LYS  41  -9.382  -2.555 -25.664
  384   1HE   LYS  41          2HE       LYS  41  -7.274  -2.503 -26.725
  385   2HE   LYS  41          3HE       LYS  41  -7.034  -3.709 -25.476
  386   1HZ   LYS  41          1HZ       LYS  41  -6.292  -4.784 -27.314
  387   2HZ   LYS  41          2HZ       LYS  41  -7.843  -5.294 -27.328
  388   3HZ   LYS  41          3HZ       LYS  41  -7.366  -4.098 -28.333
  389    H    LYS  42           HN       LYS  42  -9.752  -3.449 -20.660
  390    HA   LYS  42           HA       LYS  42  -7.134  -2.701 -20.949
  391   1HB   LYS  42          2HB       LYS  42  -9.127  -2.778 -18.781
  392   2HB   LYS  42          3HB       LYS  42  -7.468  -2.817 -18.220
  393   1HG   LYS  42          2HG       LYS  42  -7.130  -0.863 -20.003
  394   2HG   LYS  42          3HG       LYS  42  -8.866  -0.685 -19.849
  395   1HD   LYS  42          2HD       LYS  42  -8.749  -0.021 -17.603
  396   2HD   LYS  42          3HD       LYS  42  -7.252  -0.883 -17.310
  397   1HE   LYS  42          2HE       LYS  42  -5.943   0.874 -18.013
  398   2HE   LYS  42          3HE       LYS  42  -7.013   1.276 -19.341
  399   1HZ   LYS  42          1HZ       LYS  42  -7.072   2.986 -17.712
  400   2HZ   LYS  42          2HZ       LYS  42  -8.526   2.242 -17.701
  401   3HZ   LYS  42          3HZ       LYS  42  -7.447   1.943 -16.513
  402    HA   PRO  43           HA       PRO  43  -5.296  -6.657 -20.384
  403   1HB   PRO  43          2HB       PRO  43  -2.876  -6.032 -21.489
  404   2HB   PRO  43          3HB       PRO  43  -4.236  -6.615 -22.428
  405   1HG   PRO  43          2HG       PRO  43  -3.157  -3.869 -22.236
  406   2HG   PRO  43          3HG       PRO  43  -4.211  -4.551 -23.458
  407   1HD   PRO  43          2HD       PRO  43  -4.973  -2.804 -21.314
  408   2HD   PRO  43          3HD       PRO  43  -6.043  -3.578 -22.465
  409    H    ARG  44           HN       ARG  44  -3.265  -7.550 -19.333
  410    HA   ARG  44           HA       ARG  44  -3.188  -6.705 -16.807
  411   1HB   ARG  44          2HB       ARG  44  -1.717  -8.515 -18.420
  412   2HB   ARG  44          3HB       ARG  44  -0.491  -7.513 -17.668
  413   1HG   ARG  44          2HG       ARG  44  -0.826  -9.274 -16.107
  414   2HG   ARG  44          3HG       ARG  44  -1.726  -7.933 -15.428
  415   1HD   ARG  44          2HD       ARG  44  -3.825  -8.846 -16.521
  416   2HD   ARG  44          3HD       ARG  44  -2.899 -10.228 -17.075
  417    HE   ARG  44           HE       ARG  44  -2.450 -10.016 -14.284
  418   1HH1  ARG  44          2HH2      ARG  44  -5.141 -10.638 -16.464
  419   2HH1  ARG  44          1HH2      ARG  44  -6.010 -11.607 -15.320
  420   1HH2  ARG  44          2HH1      ARG  44  -3.595 -11.294 -12.775
  421   2HH2  ARG  44          1HH1      ARG  44  -5.124 -11.982 -13.209
  422    H    GLY  45           HN       GLY  45  -1.798  -5.314 -15.515
  423   1HA   GLY  45          1HA       GLY  45   0.367  -3.902 -16.046
  424   2HA   GLY  45          2HA       GLY  45  -0.796  -3.014 -17.011
  425    HA   PRO  46           HA       PRO  46   0.450  -1.480 -16.355
  426   1HB   PRO  46          2HB       PRO  46   1.974   0.276 -14.918
  427   2HB   PRO  46          3HB       PRO  46   0.501   0.740 -15.746
  428   1HG   PRO  46          2HG       PRO  46   0.950   0.328 -12.854
  429   2HG   PRO  46          3HG       PRO  46  -0.355   1.184 -13.651
  430   1HD   PRO  46          2HD       PRO  46  -0.479  -1.435 -12.488
  431   2HD   PRO  46          3HD       PRO  46  -1.748  -0.626 -13.387
  432    H    ARG  47           HN       ARG  47   1.556  -2.261 -13.111
  433    HA   ARG  47           HA       ARG  47   3.684  -3.737 -14.442
  434   1HB   ARG  47          2HB       ARG  47   4.116  -1.565 -12.822
  435   2HB   ARG  47          3HB       ARG  47   4.113  -2.831 -11.611
  436   1HG   ARG  47          2HG       ARG  47   5.676  -3.657 -13.944
  437   2HG   ARG  47          3HG       ARG  47   6.251  -2.115 -13.339
  438   1HD   ARG  47          2HD       ARG  47   5.687  -4.288 -11.321
  439   2HD   ARG  47          3HD       ARG  47   7.122  -4.450 -12.314
  440    HE   ARG  47           HE       ARG  47   6.756  -2.587 -10.140
  441   1HH1  ARG  47          2HH2      ARG  47   8.269  -2.875 -13.303
  442   2HH1  ARG  47          1HH2      ARG  47   9.500  -1.704 -12.963
  443   1HH2  ARG  47          2HH1      ARG  47   8.378  -1.042  -9.691
  444   2HH2  ARG  47          1HH1      ARG  47   9.562  -0.655 -10.894
  445    H    GLY  48           HN       GLY  48   3.652  -5.928 -14.000
  446   1HA   GLY  48          1HA       GLY  48   2.384  -6.810 -11.487
  447   2HA   GLY  48          2HA       GLY  48   1.879  -7.484 -13.024
  448    HA   PRO  49           HA       PRO  49   5.220 -10.188 -11.814
  449   1HB   PRO  49          2HB       PRO  49   4.133 -12.490 -12.807
  450   2HB   PRO  49          3HB       PRO  49   3.872 -11.938 -11.164
  451   1HG   PRO  49          2HG       PRO  49   2.016 -11.858 -13.463
  452   2HG   PRO  49          3HG       PRO  49   1.654 -11.716 -11.754
  453   1HD   PRO  49          2HD       PRO  49   1.756  -9.584 -13.670
  454   2HD   PRO  49          3HD       PRO  49   1.509  -9.428 -11.942
  455    H    ARG  50           HN       ARG  50   6.632  -9.018 -13.194
  456    HA   ARG  50           HA       ARG  50   7.105 -10.605 -15.536
  457   1HB   ARG  50          2HB       ARG  50   5.920  -7.911 -15.629
  458   2HB   ARG  50          3HB       ARG  50   7.440  -7.960 -16.499
  459   1HG   ARG  50          2HG       ARG  50   5.228 -10.021 -16.919
  460   2HG   ARG  50          3HG       ARG  50   5.349  -8.551 -17.867
  461   1HD   ARG  50          2HD       ARG  50   7.756 -10.387 -17.621
  462   2HD   ARG  50          3HD       ARG  50   6.479 -10.773 -18.758
  463    HE   ARG  50           HE       ARG  50   7.025  -8.840 -20.041
  464   1HH1  ARG  50          2HH2      ARG  50   8.955  -9.024 -17.104
  465   2HH1  ARG  50          1HH2      ARG  50  10.095  -7.829 -17.626
  466   1HH2  ARG  50          2HH1      ARG  50   8.528  -7.263 -20.729
  467   2HH2  ARG  50          1HH1      ARG  50   9.851  -6.820 -19.702
  468    HA   PRO  51           HA       PRO  51  10.933  -9.379 -13.565
  469   1HB   PRO  51          2HB       PRO  51  12.308 -11.683 -14.084
  470   2HB   PRO  51          3HB       PRO  51  11.357 -11.440 -12.632
  471   1HG   PRO  51          2HG       PRO  51  10.720 -13.071 -15.014
  472   2HG   PRO  51          3HG       PRO  51  10.014 -13.145 -13.413
  473   1HD   PRO  51          2HD       PRO  51   8.845 -11.963 -15.750
  474   2HD   PRO  51          3HD       PRO  51   8.193 -11.937 -14.124
  475    H    GLN  52           HN       GLN  52  12.393  -8.031 -14.405
  476    HA   GLN  52           HA       GLN  52  12.512  -7.921 -17.207
  477   1HB   GLN  52          2HB       GLN  52  13.062  -6.180 -15.131
  478   2HB   GLN  52          3HB       GLN  52  14.677  -6.568 -15.687
  479   1HG   GLN  52          2HG       GLN  52  13.712  -6.117 -18.096
  480   2HG   GLN  52          3HG       GLN  52  12.399  -5.315 -17.257
  481   1HE2  GLN  52          1HE2      GLN  52  15.538  -5.072 -18.456
  482   2HE2  GLN  52          2HE2      GLN  52  15.997  -3.540 -17.791
  483    H    THR  53           HN       THR  53  15.084  -8.625 -14.721
  484    HA   THR  53           HA       THR  53  17.093  -9.602 -14.984
  485    HB   THR  53           HB       THR  53  16.788 -12.016 -15.736
  486    HG1  THR  53           HG1      THR  53  15.167 -11.317 -17.400
  487   1HG2  THR  53          1HG2      THR  53  14.928 -10.647 -13.795
  488   2HG2  THR  53          2HG2      THR  53  14.530 -12.315 -14.271
  489   3HG2  THR  53          3HG2      THR  53  16.096 -11.958 -13.501
  490    H    SER  54           HN       SER  54  17.423  -7.665 -16.603
  491    HA   SER  54           HA       SER  54  17.957  -8.808 -19.223
  492   1HB   SER  54          2HB       SER  54  16.539  -6.677 -18.944
  493   2HB   SER  54          3HB       SER  54  18.010  -5.863 -18.450
  494    HG   SER  54           HG       SER  54  18.647  -5.748 -20.493
  495    H    LEU  55           HN       LEU  55  19.398  -6.479 -16.817
  496    HA   LEU  55           HA       LEU  55  21.943  -7.788 -17.089
  497   1HB   LEU  55          2HB       LEU  55  21.387  -5.705 -18.841
  498   2HB   LEU  55          3HB       LEU  55  22.300  -4.937 -17.557
  499    HG   LEU  55           HG       LEU  55  24.006  -6.852 -17.877
  500   1HD1  LEU  55          1HD1      LEU  55  22.455  -7.099 -20.468
  501   2HD1  LEU  55          2HD1      LEU  55  24.065  -7.796 -20.165
  502   3HD1  LEU  55          3HD1      LEU  55  22.663  -8.347 -19.216
  503   1HD2  LEU  55          1HD2      LEU  55  24.957  -5.635 -19.946
  504   2HD2  LEU  55          2HD2      LEU  55  23.549  -4.559 -19.773
  505   3HD2  LEU  55          3HD2      LEU  55  24.721  -4.711 -18.443
  506    H    LEU  56           HN       LEU  56  22.024  -8.217 -14.910
  507    HA   LEU  56           HA       LEU  56  22.207  -5.857 -13.208
  508   1HB   LEU  56          2HB       LEU  56  19.920  -7.392 -13.265
  509   2HB   LEU  56          3HB       LEU  56  20.818  -8.100 -11.938
  510    HG   LEU  56           HG       LEU  56  21.028  -5.814 -10.928
  511   1HD1  LEU  56          1HD1      LEU  56  20.003  -3.936 -11.770
  512   2HD1  LEU  56          2HD1      LEU  56  20.528  -4.741 -13.268
  513   3HD1  LEU  56          3HD1      LEU  56  18.834  -4.867 -12.736
  514   1HD2  LEU  56          1HD2      LEU  56  18.169  -6.709 -11.374
  515   2HD2  LEU  56          2HD2      LEU  56  19.310  -7.476 -10.243
  516   3HD2  LEU  56          3HD2      LEU  56  18.813  -5.784  -9.996
  Start of MODEL    6
    1   1H5*    U 517          1H5*        U 517  -0.587   3.083 -29.102
    2   2H5*    U 517          2H5*        U 517  -1.694   4.267 -29.797
    3    H4*    U 517           H4*        U 517  -2.258   2.324 -30.910
    4    H3*    U 517           H3*        U 517  -4.136   2.716 -28.596
    5    H2*    U 517           H2*        U 517  -5.305   0.757 -29.176
    6   2HO*    U 517          2HO*        U 517  -3.665   0.937 -31.538
    7    H1*    U 517           H1*        U 517  -2.838  -0.612 -29.818
    8    H3     U 517           H3         U 517  -4.535  -3.405 -26.701
    9    H5     U 517           H5         U 517  -3.692   0.080 -24.536
   10    H6     U 517           H6         U 517  -3.144   1.155 -26.670
   11   1H5*    U 518          1H5*        U 518  -6.328   7.322 -30.256
   12   2H5*    U 518          2H5*        U 518  -5.271   6.615 -29.034
   13    H4*    U 518           H4*        U 518  -7.963   6.738 -28.843
   14    H3*    U 518           H3*        U 518  -6.043   4.744 -27.626
   15    H2*    U 518           H2*        U 518  -7.848   3.703 -26.580
   16   2HO*    U 518          2HO*        U 518  -9.186   6.163 -27.258
   17    H1*    U 518           H1*        U 518  -9.592   4.436 -28.841
   18    H3     U 518           H3         U 518 -10.485   0.218 -30.063
   19    H5     U 518           H5         U 518  -6.997  -0.209 -27.785
   20    H6     U 518           H6         U 518  -6.934   2.235 -27.605
   21   1H5*    U 519          1H5*        U 519  -8.103   5.614 -24.634
   22   2H5*    U 519          2H5*        U 519  -8.254   7.371 -24.637
   23    H4*    U 519           H4*        U 519  -9.191   6.933 -22.618
   24    H3*    U 519           H3*        U 519  -6.235   7.130 -22.025
   25    H2*    U 519           H2*        U 519  -6.739   6.902 -19.729
   26   2HO*    U 519          2HO*        U 519  -9.510   6.984 -20.466
   27    H1*    U 519           H1*        U 519  -8.707   4.879 -20.266
   28    H3     U 519           H3         U 519  -5.527   3.088 -17.464
   29    H5     U 519           H5         U 519  -3.942   2.754 -21.326
   30    H6     U 519           H6         U 519  -5.795   4.160 -22.102
   31   1H5*    U 520          1H5*        U 520  -5.833  10.863 -20.676
   32   2H5*    U 520          2H5*        U 520  -7.563  10.526 -20.605
   33    H4*    U 520           H4*        U 520  -6.414  12.896 -19.950
   34    H3*    U 520           H3*        U 520  -9.189  12.113 -20.685
   35    H2*    U 520           H2*        U 520  -9.900  14.364 -20.904
   36   2HO*    U 520          2HO*        U 520  -7.222  15.066 -20.126
   37    H1*    U 520           H1*        U 520  -7.820  15.135 -22.546
   38    H3     U 520           H3         U 520 -10.837  14.678 -25.822
   39    H5     U 520           H5         U 520 -10.523  10.778 -24.328
   40    H6     U 520           H6         U 520  -9.006  11.662 -22.617
   41   1H5*    G 521          1H5*        G 521 -11.244  13.968 -18.110
   42   2H5*    G 521          2H5*        G 521 -10.532  13.382 -16.607
   43    H4*    G 521           H4*        G 521 -12.917  13.821 -16.361
   44    H3*    G 521           H3*        G 521 -11.859  11.071 -15.949
   45    H2*    G 521           H2*        G 521 -14.022  10.157 -15.600
   46   2HO*    G 521          2HO*        G 521 -15.179  11.689 -14.569
   47    H1*    G 521           H1*        G 521 -15.122  11.284 -17.881
   48    H8     G 521           H8         G 521 -11.534   9.942 -17.561
   49    H1     G 521           H1         G 521 -15.640   6.206 -20.888
   50   1H2     G 521          1H2         G 521 -17.512   7.072 -20.890
   51   2H2     G 521          2H2         G 521 -17.910   8.584 -20.107
   52   1H5*    C 522          1H5*        C 522 -10.724  12.900 -10.832
   53   2H5*    C 522          2H5*        C 522 -11.088  11.174 -10.828
   54    H4*    C 522           H4*        C 522 -11.728  12.280  -8.733
   55    H3*    C 522           H3*        C 522 -13.894  11.020 -10.404
   56    H2*    C 522           H2*        C 522 -15.454  11.460  -8.681
   57   2HO*    C 522          2HO*        C 522 -13.799  10.860  -7.104
   58    H1*    C 522           H1*        C 522 -14.374  14.087  -8.262
   59   1H4     C 522          1H4         C 522 -19.583  15.614 -11.560
   60   2H4     C 522          2H4         C 522 -19.335  14.274 -12.657
   61    H5     C 522           H5         C 522 -17.529  12.759 -12.496
   62    H6     C 522           H6         C 522 -15.497  12.153 -11.232
   63   1H5*    U 523          1H5*        U 523 -14.444   6.307  -9.428
   64   2H5*    U 523          2H5*        U 523 -14.971   7.968  -9.154
   65    H4*    U 523           H4*        U 523 -15.736   6.626  -7.338
   66    H3*    U 523           H3*        U 523 -13.515   8.529  -6.662
   67    H2*    U 523           H2*        U 523 -13.626   7.879  -4.381
   68   2HO*    U 523          2HO*        U 523 -15.776   6.141  -5.148
   69    H1*    U 523           H1*        U 523 -13.702   5.119  -5.061
   70    H3     U 523           H3         U 523  -9.602   4.850  -3.315
   71    H5     U 523           H5         U 523  -9.192   7.991  -6.053
   72    H6     U 523           H6         U 523 -11.580   7.741  -6.548
   73   1H    ALA   1           HN       ALA   1  18.338  13.356  17.748
   74    HA   ALA   1           HA       ALA   1  18.549  13.821  15.055
   75   1HB   ALA   1          1HB       ALA   1  19.034  11.124  15.503
   76   2HB   ALA   1          2HB       ALA   1  17.303  11.156  15.094
   77   3HB   ALA   1          3HB       ALA   1  18.496  11.841  13.966
   78    H    THR   2           HN       THR   2  16.753  15.020  14.682
   79    HA   THR   2           HA       THR   2  14.195  14.080  15.651
   80    HB   THR   2           HB       THR   2  15.121  15.305  17.617
   81    HG1  THR   2           HG1      THR   2  13.218  16.827  15.977
   82   1HG2  THR   2          1HG2      THR   2  14.916  17.982  16.477
   83   2HG2  THR   2          2HG2      THR   2  16.261  17.272  17.400
   84   3HG2  THR   2          3HG2      THR   2  16.189  17.067  15.634
   85    H    VAL   3           HN       VAL   3  12.923  14.185  13.920
   86    HA   VAL   3           HA       VAL   3  12.595  16.641  12.548
   87    HB   VAL   3           HB       VAL   3  14.741  15.829  11.581
   88   1HG1  VAL   3          1HG1      VAL   3  15.033  13.735  10.860
   89   2HG1  VAL   3          2HG1      VAL   3  13.433  13.344  11.537
   90   3HG1  VAL   3          3HG1      VAL   3  13.585  13.825   9.829
   91   1HG2  VAL   3          1HG2      VAL   3  12.691  17.091  10.363
   92   2HG2  VAL   3          2HG2      VAL   3  14.232  16.720   9.553
   93   3HG2  VAL   3          3HG2      VAL   3  12.824  15.659   9.313
   94    H    VAL   4           HN       VAL   4  10.854  16.443  10.874
   95    HA   VAL   4           HA       VAL   4   9.440  13.943  10.801
   96    HB   VAL   4           HB       VAL   4   8.758  14.905  12.967
   97   1HG1  VAL   4          1HG1      VAL   4   7.263  16.931  12.925
   98   2HG1  VAL   4          2HG1      VAL   4   8.978  17.261  12.582
   99   3HG1  VAL   4          3HG1      VAL   4   7.797  17.215  11.250
  100   1HG2  VAL   4          1HG2      VAL   4   6.891  13.759  12.551
  101   2HG2  VAL   4          2HG2      VAL   4   6.184  15.226  11.835
  102   3HG2  VAL   4          3HG2      VAL   4   7.050  14.062  10.804
  103    H    SER   5           HN       SER   5   8.461  13.746   8.834
  104    HA   SER   5           HA       SER   5   7.245  15.870   7.537
  105   1HB   SER   5          2HB       SER   5   9.529  16.708   7.160
  106   2HB   SER   5          3HB       SER   5  10.024  15.162   6.498
  107    HG   SER   5           HG       SER   5   8.429  17.210   5.334
  108    H    GLY   6           HN       GLY   6   6.242  15.150   5.499
  109   1HA   GLY   6          1HA       GLY   6   6.544  13.128   3.895
  110   2HA   GLY   6          2HA       GLY   6   6.137  12.221   5.337
  111    H    GLN   7           HN       GLN   7   4.974  14.725   3.039
  112    HA   GLN   7           HA       GLN   7   2.381  13.678   3.149
  113   1HB   GLN   7          2HB       GLN   7   1.216  15.691   4.073
  114   2HB   GLN   7          3HB       GLN   7   2.196  14.867   5.270
  115   1HG   GLN   7          2HG       GLN   7   3.765  16.890   3.828
  116   2HG   GLN   7          3HG       GLN   7   2.338  17.600   4.557
  117   1HE2  GLN   7          1HE2      GLN   7   5.488  16.836   5.037
  118   2HE2  GLN   7          2HE2      GLN   7   5.564  16.763   6.766
  119    H    LYS   8           HN       LYS   8   1.317  14.208   1.242
  120    HA   LYS   8           HA       LYS   8   1.843  16.655  -0.108
  121   1HB   LYS   8          2HB       LYS   8   3.851  14.947  -0.544
  122   2HB   LYS   8          3HB       LYS   8   2.733  14.313  -1.735
  123   1HG   LYS   8          2HG       LYS   8   3.963  15.981  -2.911
  124   2HG   LYS   8          3HG       LYS   8   2.430  16.748  -2.552
  125   1HD   LYS   8          2HD       LYS   8   4.232  17.173  -0.316
  126   2HD   LYS   8          3HD       LYS   8   5.055  17.622  -1.796
  127   1HE   LYS   8          2HE       LYS   8   2.706  18.825  -2.328
  128   2HE   LYS   8          3HE       LYS   8   2.557  18.797  -0.582
  129   1HZ   LYS   8          1HZ       LYS   8   3.645  20.774  -1.207
  130   2HZ   LYS   8          2HZ       LYS   8   4.781  19.831  -0.509
  131   3HZ   LYS   8          3HZ       LYS   8   4.741  19.995  -2.134
  132    H    GLN   9           HN       GLN   9   0.488  16.842  -2.087
  133    HA   GLN   9           HA       GLN   9  -1.606  14.816  -2.090
  134   1HB   GLN   9          2HB       GLN   9  -3.304  16.578  -2.350
  135   2HB   GLN   9          3HB       GLN   9  -2.404  16.817  -0.866
  136   1HG   GLN   9          2HG       GLN   9  -1.021  18.558  -1.912
  137   2HG   GLN   9          3HG       GLN   9  -1.728  18.237  -3.483
  138   1HE2  GLN   9          1HE2      GLN   9  -2.316  20.437  -3.577
  139   2HE2  GLN   9          2HE2      GLN   9  -3.718  21.046  -2.763
  140    H    ASP  10           HN       ASP  10  -2.874  14.762  -4.178
  141    HA   ASP  10           HA       ASP  10  -1.546  16.061  -6.374
  142   1HB   ASP  10          2HB       ASP  10  -0.944  13.376  -5.689
  143   2HB   ASP  10          3HB       ASP  10  -2.072  13.245  -7.024
  144    H    ARG  11           HN       ARG  11  -3.071  16.484  -8.051
  145    HA   ARG  11           HA       ARG  11  -5.433  14.916  -8.208
  146   1HB   ARG  11          2HB       ARG  11  -5.536  17.126  -6.477
  147   2HB   ARG  11          3HB       ARG  11  -6.205  17.766  -7.964
  148   1HG   ARG  11          2HG       ARG  11  -7.203  15.056  -7.209
  149   2HG   ARG  11          3HG       ARG  11  -7.648  16.338  -6.100
  150   1HD   ARG  11          2HD       ARG  11  -8.181  17.576  -8.497
  151   2HD   ARG  11          3HD       ARG  11  -8.492  15.909  -8.937
  152    HE   ARG  11           HE       ARG  11 -10.020  17.530  -7.008
  153   1HH1  ARG  11          2HH2      ARG  11  -9.345  14.301  -8.234
  154   2HH1  ARG  11          1HH2      ARG  11 -10.826  13.627  -7.640
  155   1HH2  ARG  11          2HH1      ARG  11 -11.974  16.641  -6.224
  156   2HH2  ARG  11          1HH1      ARG  11 -12.332  14.967  -6.489
  157    H    GLN  12           HN       GLN  12  -5.990  14.827 -10.376
  158    HA   GLN  12           HA       GLN  12  -5.239  17.126 -11.996
  159   1HB   GLN  12          2HB       GLN  12  -3.752  14.854 -12.070
  160   2HB   GLN  12          3HB       GLN  12  -4.982  14.409 -13.236
  161   1HG   GLN  12          2HG       GLN  12  -4.545  16.530 -14.500
  162   2HG   GLN  12          3HG       GLN  12  -3.307  16.963 -13.339
  163   1HE2  GLN  12          1HE2      GLN  12  -4.241  14.813 -15.915
  164   2HE2  GLN  12          2HE2      GLN  12  -2.681  14.143 -16.263
  165    H    GLY  13           HN       GLY  13  -6.480  17.249 -14.085
  166   1HA   GLY  13          1HA       GLY  13  -8.377  15.884 -15.189
  167   2HA   GLY  13          2HA       GLY  13  -9.195  16.196 -13.672
  168    H    GLY  14           HN       GLY  14  -8.732  17.331 -16.814
  169   1HA   GLY  14          1HA       GLY  14  -9.616  20.043 -16.030
  170   2HA   GLY  14          2HA       GLY  14  -8.441  19.771 -17.301
  171    H    GLU  15           HN       GLU  15 -11.604  20.526 -16.841
  172    HA   GLU  15           HA       GLU  15 -12.633  18.778 -18.893
  173   1HB   GLU  15          2HB       GLU  15 -13.796  20.578 -16.811
  174   2HB   GLU  15          3HB       GLU  15 -14.715  20.447 -18.297
  175   1HG   GLU  15          2HG       GLU  15 -15.272  18.241 -17.926
  176   2HG   GLU  15          3HG       GLU  15 -13.708  17.849 -17.239
  177    H    ARG  16           HN       ARG  16 -13.373  19.502 -20.947
  178    HA   ARG  16           HA       ARG  16 -13.401  22.236 -21.568
  179   1HB   ARG  16          2HB       ARG  16 -10.867  20.831 -21.892
  180   2HB   ARG  16          3HB       ARG  16 -11.470  21.294 -23.470
  181   1HG   ARG  16          2HG       ARG  16 -11.040  23.499 -23.102
  182   2HG   ARG  16          3HG       ARG  16 -11.829  23.472 -21.538
  183   1HD   ARG  16          2HD       ARG  16  -9.221  22.041 -21.586
  184   2HD   ARG  16          3HD       ARG  16  -9.094  23.753 -21.935
  185    HE   ARG  16           HE       ARG  16 -10.726  23.784 -19.744
  186   1HH1  ARG  16          2HH2      ARG  16  -7.697  22.105 -20.371
  187   2HH1  ARG  16          1HH2      ARG  16  -7.207  22.102 -18.710
  188   1HH2  ARG  16          2HH1      ARG  16 -10.080  23.779 -17.552
  189   2HH2  ARG  16          1HH1      ARG  16  -8.572  23.060 -17.095
  190    H    ARG  17           HN       ARG  17 -12.633  19.018 -23.107
  191    HA   ARG  17           HA       ARG  17 -15.115  18.671 -24.187
  192   1HB   ARG  17          2HB       ARG  17 -13.548  20.604 -25.676
  193   2HB   ARG  17          3HB       ARG  17 -13.722  19.167 -26.664
  194   1HG   ARG  17          2HG       ARG  17 -16.196  19.222 -26.323
  195   2HG   ARG  17          3HG       ARG  17 -16.031  20.644 -25.313
  196   1HD   ARG  17          2HD       ARG  17 -16.496  21.673 -27.351
  197   2HD   ARG  17          3HD       ARG  17 -14.748  21.631 -27.444
  198    HE   ARG  17           HE       ARG  17 -15.392  19.224 -28.565
  199   1HH1  ARG  17          2HH2      ARG  17 -16.642  22.466 -29.126
  200   2HH1  ARG  17          1HH2      ARG  17 -17.037  22.165 -30.785
  201   1HH2  ARG  17          2HH1      ARG  17 -15.915  18.827 -30.754
  202   2HH2  ARG  17          1HH1      ARG  17 -16.621  20.081 -31.717
  203    H    ARG  18           HN       ARG  18 -15.143  16.465 -24.520
  204    HA   ARG  18           HA       ARG  18 -12.580  15.259 -25.175
  205   1HB   ARG  18          2HB       ARG  18 -15.039  14.049 -23.811
  206   2HB   ARG  18          3HB       ARG  18 -13.575  13.157 -24.177
  207   1HG   ARG  18          2HG       ARG  18 -12.372  14.146 -22.471
  208   2HG   ARG  18          3HG       ARG  18 -13.147  15.705 -22.680
  209   1HD   ARG  18          2HD       ARG  18 -14.724  13.360 -21.563
  210   2HD   ARG  18          3HD       ARG  18 -13.670  14.288 -20.516
  211    HE   ARG  18           HE       ARG  18 -15.099  16.279 -21.724
  212   1HH1  ARG  18          2HH2      ARG  18 -16.115  13.277 -20.196
  213   2HH1  ARG  18          1HH2      ARG  18 -17.653  13.901 -19.700
  214   1HH2  ARG  18          2HH1      ARG  18 -17.127  17.103 -21.070
  215   2HH2  ARG  18          1HH1      ARG  18 -18.232  16.092 -20.199
  216    H    SER  19           HN       SER  19 -13.957  16.371 -27.323
  217    HA   SER  19           HA       SER  19 -14.837  15.964 -29.266
  218   1HB   SER  19          2HB       SER  19 -13.447  13.410 -28.589
  219   2HB   SER  19          3HB       SER  19 -14.599  13.304 -29.905
  220    HG   SER  19           HG       SER  19 -12.110  14.180 -30.073
  221    H    GLN  20           HN       GLN  20 -15.589  12.590 -28.344
  222    HA   GLN  20           HA       GLN  20 -18.348  13.383 -27.900
  223   1HB   GLN  20          2HB       GLN  20 -17.578  12.358 -30.321
  224   2HB   GLN  20          3HB       GLN  20 -17.946  10.872 -29.466
  225   1HG   GLN  20          2HG       GLN  20 -20.175  11.243 -29.660
  226   2HG   GLN  20          3HG       GLN  20 -20.026  12.813 -28.894
  227   1HE2  GLN  20          1HE2      GLN  20 -20.829  11.188 -31.667
  228   2HE2  GLN  20          2HE2      GLN  20 -20.765  12.471 -32.829
  229    H    LEU  21           HN       LEU  21 -16.360  12.750 -25.945
  230    HA   LEU  21           HA       LEU  21 -16.689   9.975 -25.259
  231   1HB   LEU  21          2HB       LEU  21 -14.665  11.649 -24.915
  232   2HB   LEU  21          3HB       LEU  21 -15.503  11.998 -23.414
  233    HG   LEU  21           HG       LEU  21 -14.215   9.436 -24.316
  234   1HD1  LEU  21          1HD1      LEU  21 -12.687  10.567 -23.049
  235   2HD1  LEU  21          2HD1      LEU  21 -13.927  11.367 -22.055
  236   3HD1  LEU  21          3HD1      LEU  21 -13.528   9.656 -21.772
  237   1HD2  LEU  21          1HD2      LEU  21 -16.374   9.681 -22.207
  238   2HD2  LEU  21          2HD2      LEU  21 -16.401   8.685 -23.683
  239   3HD2  LEU  21          3HD2      LEU  21 -15.270   8.294 -22.365
  240    H    ASP  22           HN       ASP  22 -18.906   9.629 -24.919
  241    HA   ASP  22           HA       ASP  22 -20.477  11.381 -23.447
  242   1HB   ASP  22          2HB       ASP  22 -20.887   9.096 -24.952
  243   2HB   ASP  22          3HB       ASP  22 -21.174   8.483 -23.336
  244    H    ARG  23           HN       ARG  23 -21.470  10.880 -21.239
  245    HA   ARG  23           HA       ARG  23 -19.469  10.352 -19.398
  246   1HB   ARG  23          2HB       ARG  23 -22.441  10.817 -19.315
  247   2HB   ARG  23          3HB       ARG  23 -21.729  10.089 -17.888
  248   1HG   ARG  23          2HG       ARG  23 -20.875  12.722 -19.182
  249   2HG   ARG  23          3HG       ARG  23 -21.748  12.550 -17.671
  250   1HD   ARG  23          2HD       ARG  23 -19.582  10.955 -17.135
  251   2HD   ARG  23          3HD       ARG  23 -18.844  12.087 -18.251
  252    HE   ARG  23           HE       ARG  23 -20.468  13.359 -16.155
  253   1HH1  ARG  23          2HH2      ARG  23 -17.269  12.214 -17.065
  254   2HH1  ARG  23          1HH2      ARG  23 -16.442  13.224 -15.927
  255   1HH2  ARG  23          2HH1      ARG  23 -19.380  14.693 -14.651
  256   2HH2  ARG  23          1HH1      ARG  23 -17.652  14.644 -14.544
  257    H    ASP  24           HN       ASP  24 -21.285   8.231 -21.352
  258    HA   ASP  24           HA       ASP  24 -20.705   6.058 -19.504
  259   1HB   ASP  24          2HB       ASP  24 -22.741   4.886 -20.421
  260   2HB   ASP  24          3HB       ASP  24 -23.116   6.322 -19.489
  261    H    GLN  25           HN       GLN  25 -19.172   7.274 -21.778
  262    HA   GLN  25           HA       GLN  25 -19.306   5.017 -23.624
  263   1HB   GLN  25          2HB       GLN  25 -19.885   7.438 -24.457
  264   2HB   GLN  25          3HB       GLN  25 -18.160   7.725 -24.366
  265   1HG   GLN  25          2HG       GLN  25 -17.766   6.544 -26.270
  266   2HG   GLN  25          3HG       GLN  25 -18.698   5.175 -25.698
  267   1HE2  GLN  25          1HE2      GLN  25 -18.494   7.564 -27.967
  268   2HE2  GLN  25          2HE2      GLN  25 -20.124   7.610 -28.549
  269    H    CYS  26           HN       CYS  26 -17.576   3.665 -23.452
  270    HA   CYS  26           HA       CYS  26 -15.413   4.250 -21.811
  271   1HB   CYS  26          2HB       CYS  26 -16.105   1.961 -22.260
  272   2HB   CYS  26          3HB       CYS  26 -15.731   2.132 -23.962
  273    H    ALA  27           HN       ALA  27 -13.396   5.184 -22.235
  274    HA   ALA  27           HA       ALA  27 -13.075   6.270 -24.933
  275   1HB   ALA  27          1HB       ALA  27 -12.582   7.211 -22.206
  276   2HB   ALA  27          2HB       ALA  27 -11.148   7.390 -23.243
  277   3HB   ALA  27          3HB       ALA  27 -12.692   8.133 -23.725
  278    H    TYR  28           HN       TYR  28 -12.614   3.441 -24.418
  279    HA   TYR  28           HA       TYR  28  -9.724   3.399 -24.938
  280   1HB   TYR  28          2HB       TYR  28 -10.752   2.580 -22.591
  281   2HB   TYR  28          3HB       TYR  28 -11.325   1.207 -23.518
  282    HD1  TYR  28           HD1      TYR  28  -8.228   3.055 -22.562
  283    HD2  TYR  28           HD2      TYR  28  -9.897  -0.617 -23.988
  284    HE1  TYR  28           HE1      TYR  28  -5.978   1.910 -22.267
  285    HE2  TYR  28           HE2      TYR  28  -7.641  -1.750 -23.690
  286    HH   TYR  28           HH       TYR  28  -5.619  -1.557 -22.939
  287    H    CYS  29           HN       CYS  29 -12.688   1.284 -24.971
  288    HA   CYS  29           HA       CYS  29 -11.696   0.131 -27.445
  289   1HB   CYS  29          2HB       CYS  29 -13.484  -1.549 -27.116
  290   2HB   CYS  29          3HB       CYS  29 -12.377  -1.466 -25.762
  291    H    LYS  30           HN       LYS  30 -14.192   2.249 -26.054
  292    HA   LYS  30           HA       LYS  30 -15.314   3.844 -27.230
  293   1HB   LYS  30          2HB       LYS  30 -13.849   3.052 -29.281
  294   2HB   LYS  30          3HB       LYS  30 -15.328   2.250 -29.771
  295   1HG   LYS  30          2HG       LYS  30 -15.869   4.267 -30.704
  296   2HG   LYS  30          3HG       LYS  30 -16.317   4.723 -29.073
  297   1HD   LYS  30          2HD       LYS  30 -13.563   5.163 -29.066
  298   2HD   LYS  30          3HD       LYS  30 -14.002   5.601 -30.706
  299   1HE   LYS  30          2HE       LYS  30 -15.324   6.697 -28.176
  300   2HE   LYS  30          3HE       LYS  30 -14.146   7.551 -29.151
  301   1HZ   LYS  30          1HZ       LYS  30 -16.640   6.535 -30.301
  302   2HZ   LYS  30          2HZ       LYS  30 -16.546   8.013 -29.612
  303   3HZ   LYS  30          3HZ       LYS  30 -15.632   7.663 -30.919
  304    H    GLU  31           HN       GLU  31 -16.095   1.421 -25.699
  305    HA   GLU  31           HA       GLU  31 -18.678   0.941 -26.960
  306   1HB   GLU  31          2HB       GLU  31 -16.836  -0.905 -26.045
  307   2HB   GLU  31          3HB       GLU  31 -17.894  -0.764 -24.655
  308   1HG   GLU  31          2HG       GLU  31 -19.589  -1.871 -25.699
  309   2HG   GLU  31          3HG       GLU  31 -19.437  -0.903 -27.153
  310    H    LYS  32           HN       LYS  32 -20.532   1.670 -25.957
  311    HA   LYS  32           HA       LYS  32 -20.155   3.217 -23.546
  312   1HB   LYS  32          2HB       LYS  32 -22.406   4.026 -23.984
  313   2HB   LYS  32          3HB       LYS  32 -21.412   4.162 -25.420
  314   1HG   LYS  32          2HG       LYS  32 -22.398   2.084 -26.342
  315   2HG   LYS  32          3HG       LYS  32 -23.330   1.847 -24.877
  316   1HD   LYS  32          2HD       LYS  32 -24.920   2.885 -26.243
  317   2HD   LYS  32          3HD       LYS  32 -24.271   4.269 -25.387
  318   1HE   LYS  32          2HE       LYS  32 -22.641   3.703 -27.746
  319   2HE   LYS  32          3HE       LYS  32 -24.325   3.856 -28.205
  320   1HZ   LYS  32          1HZ       LYS  32 -22.717   5.816 -26.729
  321   2HZ   LYS  32          2HZ       LYS  32 -23.386   5.989 -28.209
  322   3HZ   LYS  32          3HZ       LYS  32 -24.339   5.937 -26.883
  323    H    GLY  33           HN       GLY  33 -21.099   2.793 -21.531
  324   1HA   GLY  33          1HA       GLY  33 -22.893   1.410 -20.455
  325   2HA   GLY  33          2HA       GLY  33 -22.142   0.040 -21.247
  326    H    HIS  34           HN       HIS  34 -19.356   1.009 -20.958
  327    HA   HIS  34           HA       HIS  34 -19.108   0.887 -18.043
  328   1HB   HIS  34          2HB       HIS  34 -17.304  -0.687 -18.220
  329   2HB   HIS  34          3HB       HIS  34 -18.715  -1.339 -19.031
  330    HD1  HIS  34           HD1      HIS  34 -18.585  -1.694 -21.600
  331    HD2  HIS  34           HD2      HIS  34 -15.124  -0.010 -19.930
  332    HE1  HIS  34           HE1      HIS  34 -16.787  -1.816 -23.407
  333    H    TRP  35           HN       TRP  35 -16.700   1.473 -17.415
  334    HA   TRP  35           HA       TRP  35 -16.063   3.878 -18.963
  335   1HB   TRP  35          2HB       TRP  35 -15.830   3.116 -16.086
  336   2HB   TRP  35          3HB       TRP  35 -14.659   4.240 -16.746
  337    HD1  TRP  35           HD1      TRP  35 -18.389   4.292 -17.809
  338    HE1  TRP  35           HE1      TRP  35 -19.534   6.567 -17.118
  339    HE3  TRP  35           HE3      TRP  35 -14.425   6.095 -15.184
  340    HZ2  TRP  35           HZ2      TRP  35 -18.672   8.816 -15.586
  341    HZ3  TRP  35           HZ3      TRP  35 -14.659   8.339 -14.122
  342    HH2  TRP  35           HH2      TRP  35 -16.691   9.687 -14.290
  343    H    ALA  36           HN       ALA  36 -13.702   4.348 -19.263
  344    HA   ALA  36           HA       ALA  36 -12.382   2.195 -20.409
  345   1HB   ALA  36          1HB       ALA  36 -11.499   4.940 -19.465
  346   2HB   ALA  36          2HB       ALA  36 -10.399   3.821 -20.304
  347   3HB   ALA  36          3HB       ALA  36 -11.866   4.408 -21.123
  348    H    LYS  37           HN       LYS  37 -12.270   3.592 -17.107
  349    HA   LYS  37           HA       LYS  37 -10.002   2.172 -16.264
  350   1HB   LYS  37          2HB       LYS  37 -12.255   3.625 -14.914
  351   2HB   LYS  37          3HB       LYS  37 -11.182   2.631 -13.950
  352   1HG   LYS  37          2HG       LYS  37  -9.209   3.867 -14.854
  353   2HG   LYS  37          3HG       LYS  37 -10.270   4.848 -15.847
  354   1HD   LYS  37          2HD       LYS  37 -11.459   5.278 -13.443
  355   2HD   LYS  37          3HD       LYS  37  -9.842   4.922 -12.871
  356   1HE   LYS  37          2HE       LYS  37 -10.436   6.983 -15.047
  357   2HE   LYS  37          3HE       LYS  37 -10.297   7.389 -13.348
  358   1HZ   LYS  37          1HZ       LYS  37  -8.175   5.971 -14.789
  359   2HZ   LYS  37          2HZ       LYS  37  -8.236   7.600 -14.699
  360   3HZ   LYS  37          3HZ       LYS  37  -8.073   6.712 -13.338
  361    H    ASP  38           HN       ASP  38 -13.193   1.157 -17.091
  362    HA   ASP  38           HA       ASP  38 -12.669  -1.347 -15.692
  363   1HB   ASP  38          2HB       ASP  38 -14.825   0.338 -15.249
  364   2HB   ASP  38          3HB       ASP  38 -15.484  -0.741 -16.463
  365    H    CYS  39           HN       CYS  39 -11.878  -0.399 -18.431
  366    HA   CYS  39           HA       CYS  39 -13.689  -1.412 -20.327
  367   1HB   CYS  39          2HB       CYS  39 -11.946   0.287 -20.828
  368   2HB   CYS  39          3HB       CYS  39 -10.704  -0.930 -20.607
  369    HA   PRO  40           HA       PRO  40 -12.690  -5.636 -19.760
  370   1HB   PRO  40          2HB       PRO  40 -14.125  -6.684 -21.837
  371   2HB   PRO  40          3HB       PRO  40 -14.835  -6.289 -20.284
  372   1HG   PRO  40          2HG       PRO  40 -15.057  -4.833 -22.847
  373   2HG   PRO  40          3HG       PRO  40 -16.071  -4.711 -21.423
  374   1HD   PRO  40          2HD       PRO  40 -14.050  -2.854 -22.255
  375   2HD   PRO  40          3HD       PRO  40 -14.983  -2.793 -20.773
  376    H    LYS  41           HN       LYS  41 -11.457  -3.660 -22.011
  377    HA   LYS  41           HA       LYS  41 -10.094  -5.834 -23.409
  378   1HB   LYS  41          2HB       LYS  41 -11.290  -3.717 -24.484
  379   2HB   LYS  41          3HB       LYS  41  -9.754  -2.951 -24.136
  380   1HG   LYS  41          2HG       LYS  41  -8.718  -5.121 -25.257
  381   2HG   LYS  41          3HG       LYS  41 -10.317  -5.316 -25.946
  382   1HD   LYS  41          2HD       LYS  41  -9.778  -3.811 -27.551
  383   2HD   LYS  41          3HD       LYS  41  -9.672  -2.570 -26.318
  384   1HE   LYS  41          2HE       LYS  41  -7.326  -4.442 -26.731
  385   2HE   LYS  41          3HE       LYS  41  -7.570  -3.120 -27.856
  386   1HZ   LYS  41          1HZ       LYS  41  -7.799  -1.769 -25.683
  387   2HZ   LYS  41          2HZ       LYS  41  -6.960  -3.003 -25.019
  388   3HZ   LYS  41          3HZ       LYS  41  -6.317  -2.147 -26.253
  389    H    LYS  42           HN       LYS  42  -9.751  -3.542 -20.827
  390    HA   LYS  42           HA       LYS  42  -7.068  -2.941 -20.940
  391   1HB   LYS  42          2HB       LYS  42  -9.013  -3.284 -18.661
  392   2HB   LYS  42          3HB       LYS  42  -7.338  -2.865 -18.365
  393   1HG   LYS  42          2HG       LYS  42  -8.496  -1.231 -20.524
  394   2HG   LYS  42          3HG       LYS  42  -9.417  -1.084 -19.040
  395   1HD   LYS  42          2HD       LYS  42  -7.278  -0.589 -17.795
  396   2HD   LYS  42          3HD       LYS  42  -6.401  -0.665 -19.311
  397   1HE   LYS  42          2HE       LYS  42  -6.810   1.584 -19.422
  398   2HE   LYS  42          3HE       LYS  42  -8.400   1.108 -19.985
  399   1HZ   LYS  42          1HZ       LYS  42  -8.117   2.639 -17.937
  400   2HZ   LYS  42          2HZ       LYS  42  -9.313   1.528 -17.970
  401   3HZ   LYS  42          3HZ       LYS  42  -7.949   1.235 -17.122
  402    HA   PRO  43           HA       PRO  43  -5.062  -6.683 -20.166
  403   1HB   PRO  43          2HB       PRO  43  -2.666  -5.811 -19.181
  404   2HB   PRO  43          3HB       PRO  43  -3.047  -5.836 -20.892
  405   1HG   PRO  43          2HG       PRO  43  -2.926  -3.524 -19.053
  406   2HG   PRO  43          3HG       PRO  43  -2.882  -3.537 -20.806
  407   1HD   PRO  43          2HD       PRO  43  -5.119  -2.839 -19.150
  408   2HD   PRO  43          3HD       PRO  43  -5.106  -2.964 -20.898
  409    H    ARG  44           HN       ARG  44  -3.625  -7.898 -18.430
  410    HA   ARG  44           HA       ARG  44  -5.336  -8.250 -16.325
  411   1HB   ARG  44          2HB       ARG  44  -3.285  -9.422 -15.252
  412   2HB   ARG  44          3HB       ARG  44  -3.799 -10.016 -16.818
  413   1HG   ARG  44          2HG       ARG  44  -2.005  -8.936 -17.961
  414   2HG   ARG  44          3HG       ARG  44  -1.701  -7.830 -16.637
  415   1HD   ARG  44          2HD       ARG  44   0.043  -9.343 -16.300
  416   2HD   ARG  44          3HD       ARG  44  -1.181 -10.068 -15.276
  417    HE   ARG  44           HE       ARG  44  -0.215 -11.104 -17.861
  418   1HH1  ARG  44          2HH2      ARG  44  -2.705 -11.279 -15.380
  419   2HH1  ARG  44          1HH2      ARG  44  -3.223 -12.869 -15.834
  420   1HH2  ARG  44          2HH1      ARG  44  -0.899 -13.201 -18.458
  421   2HH2  ARG  44          1HH1      ARG  44  -2.189 -13.968 -17.596
  422    H    GLY  45           HN       GLY  45  -5.584  -7.254 -14.320
  423   1HA   GLY  45          1HA       GLY  45  -3.553  -5.226 -13.590
  424   2HA   GLY  45          2HA       GLY  45  -5.279  -4.984 -13.404
  425    HA   PRO  46           HA       PRO  46  -4.686  -3.798 -11.871
  426   1HB   PRO  46          2HB       PRO  46  -3.503  -2.691  -9.670
  427   2HB   PRO  46          3HB       PRO  46  -5.218  -3.042  -9.762
  428   1HG   PRO  46          2HG       PRO  46  -3.105  -4.499  -8.294
  429   2HG   PRO  46          3HG       PRO  46  -4.842  -4.564  -8.070
  430   1HD   PRO  46          2HD       PRO  46  -3.206  -6.522  -9.380
  431   2HD   PRO  46          3HD       PRO  46  -4.954  -6.530  -9.256
  432    H    ARG  47           HN       ARG  47  -3.075  -1.831 -11.931
  433    HA   ARG  47           HA       ARG  47  -0.401  -2.784 -12.184
  434   1HB   ARG  47          2HB       ARG  47  -0.175  -2.020 -14.577
  435   2HB   ARG  47          3HB       ARG  47  -1.240  -3.401 -14.405
  436   1HG   ARG  47          2HG       ARG  47  -3.030  -2.240 -15.196
  437   2HG   ARG  47          3HG       ARG  47  -2.739  -0.901 -14.104
  438   1HD   ARG  47          2HD       ARG  47  -2.474   0.034 -16.289
  439   2HD   ARG  47          3HD       ARG  47  -0.838  -0.177 -15.698
  440    HE   ARG  47           HE       ARG  47  -1.246  -2.557 -16.978
  441   1HH1  ARG  47          2HH2      ARG  47  -1.841   0.763 -17.984
  442   2HH1  ARG  47          1HH2      ARG  47  -1.597   0.432 -19.667
  443   1HH2  ARG  47          2HH1      ARG  47  -0.924  -2.994 -19.198
  444   2HH2  ARG  47          1HH1      ARG  47  -1.071  -1.720 -20.361
  445    H    GLY  48           HN       GLY  48   1.115  -1.041 -12.038
  446   1HA   GLY  48          1HA       GLY  48   1.850   1.078 -11.777
  447   2HA   GLY  48          2HA       GLY  48   0.357   1.674 -12.473
  448    HA   PRO  49           HA       PRO  49   0.174   2.698  -8.070
  449   1HB   PRO  49          2HB       PRO  49  -0.430   5.348  -8.350
  450   2HB   PRO  49          3HB       PRO  49   1.208   4.754  -8.154
  451   1HG   PRO  49          2HG       PRO  49  -0.124   5.746 -10.599
  452   2HG   PRO  49          3HG       PRO  49   1.588   5.555 -10.283
  453   1HD   PRO  49          2HD       PRO  49  -0.065   3.834 -11.873
  454   2HD   PRO  49          3HD       PRO  49   1.619   3.581 -11.462
  455    H    ARG  50           HN       ARG  50  -1.550   1.808  -7.139
  456    HA   ARG  50           HA       ARG  50  -4.024   2.153  -8.491
  457   1HB   ARG  50          2HB       ARG  50  -4.918   0.666  -6.702
  458   2HB   ARG  50          3HB       ARG  50  -3.454   0.001  -7.396
  459   1HG   ARG  50          2HG       ARG  50  -2.120   0.920  -5.501
  460   2HG   ARG  50          3HG       ARG  50  -3.567   1.631  -4.815
  461   1HD   ARG  50          2HD       ARG  50  -4.290  -0.365  -3.948
  462   2HD   ARG  50          3HD       ARG  50  -3.876  -1.258  -5.398
  463    HE   ARG  50           HE       ARG  50  -2.221  -0.950  -3.029
  464   1HH1  ARG  50          2HH2      ARG  50  -2.091  -1.396  -6.517
  465   2HH1  ARG  50          1HH2      ARG  50  -0.527  -2.140  -6.493
  466   1HH2  ARG  50          2HH1      ARG  50  -0.157  -1.931  -2.996
  467   2HH2  ARG  50          1HH1      ARG  50   0.581  -2.445  -4.477
  468    HA   PRO  51           HA       PRO  51  -5.443   5.479  -6.049
  469   1HB   PRO  51          2HB       PRO  51  -8.149   5.256  -6.362
  470   2HB   PRO  51          3HB       PRO  51  -7.103   5.987  -7.562
  471   1HG   PRO  51          2HG       PRO  51  -8.401   3.330  -7.604
  472   2HG   PRO  51          3HG       PRO  51  -7.719   4.240  -8.938
  473   1HD   PRO  51          2HD       PRO  51  -6.534   1.989  -7.614
  474   2HD   PRO  51          3HD       PRO  51  -5.804   2.970  -8.868
  475    H    GLN  52           HN       GLN  52  -7.208   2.486  -5.460
  476    HA   GLN  52           HA       GLN  52  -7.433   3.352  -2.699
  477   1HB   GLN  52          2HB       GLN  52  -9.469   2.548  -4.021
  478   2HB   GLN  52          3HB       GLN  52  -8.756   0.948  -4.025
  479   1HG   GLN  52          2HG       GLN  52  -8.688   0.995  -1.507
  480   2HG   GLN  52          3HG       GLN  52  -9.456   2.570  -1.531
  481   1HE2  GLN  52          1HE2      GLN  52 -11.526   2.538  -1.162
  482   2HE2  GLN  52          2HE2      GLN  52 -12.659   1.301  -1.591
  483    H    THR  53           HN       THR  53  -5.684   2.778  -1.471
  484    HA   THR  53           HA       THR  53  -4.011   0.591  -2.172
  485    HB   THR  53           HB       THR  53  -4.266   2.482   0.214
  486    HG1  THR  53           HG1      THR  53  -2.299   3.238  -0.889
  487   1HG2  THR  53          1HG2      THR  53  -3.203   0.372   1.028
  488   2HG2  THR  53          2HG2      THR  53  -2.105   0.388  -0.374
  489   3HG2  THR  53          3HG2      THR  53  -1.989   1.665   0.863
  490    H    SER  54           HN       SER  54  -4.363  -1.513  -1.903
  491    HA   SER  54           HA       SER  54  -6.144  -2.227   0.294
  492   1HB   SER  54          2HB       SER  54  -6.913  -4.115  -1.003
  493   2HB   SER  54          3HB       SER  54  -7.018  -2.698  -2.028
  494    HG   SER  54           HG       SER  54  -5.181  -3.340  -3.172
  495    H    LEU  55           HN       LEU  55  -5.638  -4.322   1.394
  496    HA   LEU  55           HA       LEU  55  -4.262  -5.723   2.401
  497   1HB   LEU  55          2HB       LEU  55  -3.917  -6.872   0.417
  498   2HB   LEU  55          3HB       LEU  55  -2.991  -5.572  -0.307
  499    HG   LEU  55           HG       LEU  55  -1.837  -6.894   2.108
  500   1HD1  LEU  55          1HD1      LEU  55  -2.659  -8.391  -0.216
  501   2HD1  LEU  55          2HD1      LEU  55  -0.886  -8.396  -0.068
  502   3HD1  LEU  55          3HD1      LEU  55  -1.894  -8.955   1.289
  503   1HD2  LEU  55          1HD2      LEU  55  -0.593  -5.966  -0.495
  504   2HD2  LEU  55          2HD2      LEU  55  -0.732  -4.985   0.984
  505   3HD2  LEU  55          3HD2      LEU  55   0.260  -6.463   0.988
  506    H    LEU  56           HN       LEU  56  -2.829  -5.432   4.060
  507    HA   LEU  56           HA       LEU  56  -1.224  -2.991   3.901
  508   1HB   LEU  56          2HB       LEU  56  -2.442  -4.552   6.157
  509   2HB   LEU  56          3HB       LEU  56  -1.098  -3.465   6.447
  510    HG   LEU  56           HG       LEU  56  -3.237  -2.398   6.934
  511   1HD1  LEU  56          1HD1      LEU  56  -2.560  -0.852   4.534
  512   2HD1  LEU  56          2HD1      LEU  56  -2.497  -0.401   6.255
  513   3HD1  LEU  56          3HD1      LEU  56  -1.151  -1.307   5.522
  514   1HD2  LEU  56          1HD2      LEU  56  -4.412  -3.794   5.068
  515   2HD2  LEU  56          2HD2      LEU  56  -5.006  -2.166   5.473
  516   3HD2  LEU  56          3HD2      LEU  56  -3.993  -2.411   4.030
  Start of MODEL    7
    1   1H5*    U 517          1H5*        U 517  -0.418   1.943 -29.902
    2   2H5*    U 517          2H5*        U 517  -1.173   3.197 -30.884
    3    H4*    U 517           H4*        U 517  -2.438   1.492 -31.616
    4    H3*    U 517           H3*        U 517  -3.779   2.312 -29.060
    5    H2*    U 517           H2*        U 517  -5.364   0.563 -29.297
    6   2HO*    U 517          2HO*        U 517  -5.718  -0.140 -31.348
    7    H1*    U 517           H1*        U 517  -3.376  -1.350 -29.921
    8    H3     U 517           H3         U 517  -4.133  -3.097 -25.884
    9    H5     U 517           H5         U 517  -3.410   0.928 -24.981
   10    H6     U 517           H6         U 517  -3.186   1.326 -27.390
   11   1H5*    U 518          1H5*        U 518  -4.687   6.568 -29.471
   12   2H5*    U 518          2H5*        U 518  -4.380   6.029 -27.820
   13    H4*    U 518           H4*        U 518  -6.840   6.412 -28.891
   14    H3*    U 518           H3*        U 518  -5.935   4.668 -26.608
   15    H2*    U 518           H2*        U 518  -8.056   3.771 -26.410
   16   2HO*    U 518          2HO*        U 518  -9.840   5.160 -27.177
   17    H1*    U 518           H1*        U 518  -8.574   4.354 -29.282
   18    H3     U 518           H3         U 518 -10.382   0.279 -29.596
   19    H5     U 518           H5         U 518  -6.784  -0.491 -27.595
   20    H6     U 518           H6         U 518  -6.377   1.927 -27.603
   21   1H5*    U 519          1H5*        U 519  -8.846   7.507 -24.180
   22   2H5*    U 519          2H5*        U 519  -7.508   8.378 -23.431
   23    H4*    U 519           H4*        U 519  -9.536   7.492 -22.013
   24    H3*    U 519           H3*        U 519  -6.638   7.609 -21.240
   25    H2*    U 519           H2*        U 519  -7.162   6.718 -19.096
   26   2HO*    U 519          2HO*        U 519  -9.120   7.752 -18.772
   27    H1*    U 519           H1*        U 519  -8.655   4.606 -20.139
   28    H3     U 519           H3         U 519  -4.589   3.151 -18.441
   29    H5     U 519           H5         U 519  -3.988   3.879 -22.521
   30    H6     U 519           H6         U 519  -6.195   4.947 -22.555
   31   1H5*    U 520          1H5*        U 520  -9.314  11.840 -20.412
   32   2H5*    U 520          2H5*        U 520  -8.459  10.870 -21.612
   33    H4*    U 520           H4*        U 520  -6.856  13.157 -21.006
   34    H3*    U 520           H3*        U 520  -9.760  13.779 -21.192
   35    H2*    U 520           H2*        U 520  -9.432  15.483 -22.794
   36   2HO*    U 520          2HO*        U 520  -7.148  16.076 -23.200
   37    H1*    U 520           H1*        U 520  -7.861  14.042 -24.498
   38    H3     U 520           H3         U 520 -11.689  13.341 -26.715
   39    H5     U 520           H5         U 520 -12.362  11.357 -23.089
   40    H6     U 520           H6         U 520 -10.184  12.198 -22.338
   41   1H5*    G 521          1H5*        G 521 -12.311  15.025 -20.441
   42   2H5*    G 521          2H5*        G 521 -12.141  15.893 -18.915
   43    H4*    G 521           H4*        G 521 -13.864  14.402 -18.496
   44    H3*    G 521           H3*        G 521 -11.293  13.160 -17.497
   45    H2*    G 521           H2*        G 521 -12.517  11.369 -16.680
   46   2HO*    G 521          2HO*        G 521 -14.701  13.238 -16.880
   47    H1*    G 521           H1*        G 521 -14.587  11.821 -18.755
   48    H8     G 521           H8         G 521 -11.092  10.284 -18.329
   49    H1     G 521           H1         G 521 -15.545   6.422 -20.999
   50   1H2     G 521          1H2         G 521 -17.319   7.452 -21.202
   51   2H2     G 521          2H2         G 521 -17.565   9.117 -20.718
   52   1H5*    C 522          1H5*        C 522  -9.961  16.639 -13.873
   53   2H5*    C 522          2H5*        C 522 -10.397  15.219 -12.923
   54    H4*    C 522           H4*        C 522 -10.743  17.427 -11.788
   55    H3*    C 522           H3*        C 522 -12.907  15.376 -12.045
   56    H2*    C 522           H2*        C 522 -14.437  16.759 -10.869
   57   2HO*    C 522          2HO*        C 522 -13.203  18.957 -10.296
   58    H1*    C 522           H1*        C 522 -13.795  19.035 -12.408
   59   1H4     C 522          1H4         C 522 -19.067  16.815 -15.216
   60   2H4     C 522          2H4         C 522 -18.158  15.484 -15.894
   61    H5     C 522           H5         C 522 -15.880  15.073 -15.427
   62    H6     C 522           H6         C 522 -13.894  15.846 -14.180
   63   1H5*    U 523          1H5*        U 523  -9.831  12.982  -8.058
   64   2H5*    U 523          2H5*        U 523 -11.401  12.201  -8.246
   65    H4*    U 523           H4*        U 523 -10.396  12.365  -5.895
   66    H3*    U 523           H3*        U 523 -13.242  13.148  -6.542
   67    H2*    U 523           H2*        U 523 -13.644  13.387  -4.227
   68   2HO*    U 523          2HO*        U 523 -12.471  11.475  -3.713
   69    H1*    U 523           H1*        U 523 -11.112  14.670  -3.820
   70    H3     U 523           H3         U 523 -13.589  18.201  -2.624
   71    H5     U 523           H5         U 523 -14.959  17.403  -6.501
   72    H6     U 523           H6         U 523 -13.478  15.449  -6.516
   73   1H    ALA   1           HN       ALA   1  27.934   5.406  -5.313
   74    HA   ALA   1           HA       ALA   1  25.765   4.816  -5.575
   75   1HB   ALA   1          1HB       ALA   1  25.317   4.883  -3.173
   76   2HB   ALA   1          2HB       ALA   1  25.231   6.660  -3.211
   77   3HB   ALA   1          3HB       ALA   1  23.994   5.690  -4.048
   78    H    THR   2           HN       THR   2  24.276   5.674  -7.071
   79    HA   THR   2           HA       THR   2  24.150   8.543  -7.413
   80    HB   THR   2           HB       THR   2  26.264   7.727  -8.622
   81    HG1  THR   2           HG1      THR   2  23.903   8.693 -10.078
   82   1HG2  THR   2          1HG2      THR   2  26.096   6.361 -10.539
   83   2HG2  THR   2          2HG2      THR   2  24.923   5.568  -9.462
   84   3HG2  THR   2          3HG2      THR   2  24.356   6.680 -10.731
   85    H    VAL   3           HN       VAL   3  22.232   9.206  -8.270
   86    HA   VAL   3           HA       VAL   3  20.656   7.579  -9.927
   87    HB   VAL   3           HB       VAL   3  20.450   6.320  -7.786
   88   1HG1  VAL   3          1HG1      VAL   3  19.148   7.239  -5.949
   89   2HG1  VAL   3          2HG1      VAL   3  20.563   8.272  -6.261
   90   3HG1  VAL   3          3HG1      VAL   3  18.952   8.779  -6.821
   91   1HG2  VAL   3          1HG2      VAL   3  18.697   6.367  -9.608
   92   2HG2  VAL   3          2HG2      VAL   3  18.101   5.935  -7.988
   93   3HG2  VAL   3          3HG2      VAL   3  17.821   7.571  -8.633
   94    H    VAL   4           HN       VAL   4  19.557   9.032 -11.136
   95    HA   VAL   4           HA       VAL   4  19.016  11.630  -9.880
   96    HB   VAL   4           HB       VAL   4  20.606  11.566 -11.786
   97   1HG1  VAL   4          1HG1      VAL   4  18.566  11.272 -13.857
   98   2HG1  VAL   4          2HG1      VAL   4  20.181  10.535 -13.729
   99   3HG1  VAL   4          3HG1      VAL   4  18.792   9.782 -12.910
  100   1HG2  VAL   4          1HG2      VAL   4  19.648  13.460 -12.970
  101   2HG2  VAL   4          2HG2      VAL   4  18.019  13.039 -12.389
  102   3HG2  VAL   4          3HG2      VAL   4  19.263  13.580 -11.236
  103    H    SER   5           HN       SER   5  16.969  12.709 -10.527
  104    HA   SER   5           HA       SER   5  14.914  10.679 -10.794
  105   1HB   SER   5          2HB       SER   5  14.619  13.594  -9.952
  106   2HB   SER   5          3HB       SER   5  13.388  12.352  -9.842
  107    HG   SER   5           HG       SER   5  14.390  11.421  -8.122
  108    H    GLY   6           HN       GLY   6  13.911  10.446 -12.759
  109   1HA   GLY   6          1HA       GLY   6  14.508  12.107 -14.955
  110   2HA   GLY   6          2HA       GLY   6  13.276  10.863 -14.875
  111    H    GLN   7           HN       GLN   7  12.241  12.662 -16.329
  112    HA   GLN   7           HA       GLN   7  10.803  14.460 -14.535
  113   1HB   GLN   7          2HB       GLN   7  12.233  14.979 -17.062
  114   2HB   GLN   7          3HB       GLN   7  10.587  15.580 -17.089
  115   1HG   GLN   7          2HG       GLN   7  12.436  16.133 -14.736
  116   2HG   GLN   7          3HG       GLN   7  12.435  17.158 -16.156
  117   1HE2  GLN   7          1HE2      GLN   7  11.811  18.776 -14.557
  118   2HE2  GLN   7          2HE2      GLN   7  10.137  18.999 -14.170
  119    H    LYS   8           HN       LYS   8   8.526  14.885 -15.106
  120    HA   LYS   8           HA       LYS   8   7.426  12.820 -16.879
  121   1HB   LYS   8          2HB       LYS   8   7.147  12.934 -14.086
  122   2HB   LYS   8          3HB       LYS   8   5.632  13.549 -14.713
  123   1HG   LYS   8          2HG       LYS   8   5.629  11.510 -16.312
  124   2HG   LYS   8          3HG       LYS   8   6.945  10.874 -15.346
  125   1HD   LYS   8          2HD       LYS   8   4.794  11.788 -13.599
  126   2HD   LYS   8          3HD       LYS   8   4.151  10.692 -14.804
  127   1HE   LYS   8          2HE       LYS   8   5.979   9.040 -14.222
  128   2HE   LYS   8          3HE       LYS   8   6.516  10.124 -12.954
  129   1HZ   LYS   8          1HZ       LYS   8   3.885   9.898 -12.485
  130   2HZ   LYS   8          2HZ       LYS   8   4.261   8.394 -12.998
  131   3HZ   LYS   8          3HZ       LYS   8   5.049   9.043 -11.723
  132    H    GLN   9           HN       GLN   9   6.445  13.732 -18.595
  133    HA   GLN   9           HA       GLN   9   5.438  16.438 -18.201
  134   1HB   GLN   9          2HB       GLN   9   6.795  15.042 -20.456
  135   2HB   GLN   9          3HB       GLN   9   5.465  16.078 -20.930
  136   1HG   GLN   9          2HG       GLN   9   6.919  17.559 -18.978
  137   2HG   GLN   9          3HG       GLN   9   8.133  16.823 -20.005
  138   1HE2  GLN   9          1HE2      GLN   9   8.180  19.370 -20.176
  139   2HE2  GLN   9          2HE2      GLN   9   7.411  20.019 -21.585
  140    H    ASP  10           HN       ASP  10   3.477  16.955 -19.738
  141    HA   ASP  10           HA       ASP  10   1.749  14.609 -19.784
  142   1HB   ASP  10          2HB       ASP  10   1.339  17.327 -18.587
  143   2HB   ASP  10          3HB       ASP  10  -0.032  16.669 -19.459
  144    H    ARG  11           HN       ARG  11   0.355  14.502 -21.654
  145    HA   ARG  11           HA       ARG  11   0.822  16.646 -23.570
  146   1HB   ARG  11          2HB       ARG  11   0.522  13.638 -23.985
  147   2HB   ARG  11          3HB       ARG  11   0.322  14.768 -25.310
  148   1HG   ARG  11          2HG       ARG  11   2.647  15.724 -24.621
  149   2HG   ARG  11          3HG       ARG  11   2.820  14.283 -23.638
  150   1HD   ARG  11          2HD       ARG  11   3.853  13.802 -25.775
  151   2HD   ARG  11          3HD       ARG  11   2.361  12.885 -25.718
  152    HE   ARG  11           HE       ARG  11   2.106  15.556 -26.936
  153   1HH1  ARG  11          2HH2      ARG  11   2.693  12.131 -27.491
  154   2HH1  ARG  11          1HH2      ARG  11   2.244  12.194 -29.162
  155   1HH2  ARG  11          2HH1      ARG  11   1.513  15.640 -29.141
  156   2HH2  ARG  11          1HH1      ARG  11   1.568  14.204 -30.107
  157    H    GLN  12           HN       GLN  12  -1.015  17.595 -24.498
  158    HA   GLN  12           HA       GLN  12  -3.532  16.215 -24.032
  159   1HB   GLN  12          2HB       GLN  12  -2.731  18.477 -22.594
  160   2HB   GLN  12          3HB       GLN  12  -3.744  19.153 -23.854
  161   1HG   GLN  12          2HG       GLN  12  -5.120  16.830 -22.958
  162   2HG   GLN  12          3HG       GLN  12  -4.522  17.598 -21.502
  163   1HE2  GLN  12          1HE2      GLN  12  -6.692  18.043 -20.955
  164   2HE2  GLN  12          2HE2      GLN  12  -7.551  19.383 -21.637
  165    H    GLY  13           HN       GLY  13  -4.846  16.149 -25.831
  166   1HA   GLY  13          1HA       GLY  13  -3.880  16.920 -28.333
  167   2HA   GLY  13          2HA       GLY  13  -5.527  16.458 -27.950
  168    H    GLY  14           HN       GLY  14  -5.701  18.230 -29.794
  169   1HA   GLY  14          1HA       GLY  14  -6.350  20.747 -28.425
  170   2HA   GLY  14          2HA       GLY  14  -5.293  20.790 -29.823
  171    H    GLU  15           HN       GLU  15  -6.305  19.022 -31.634
  172    HA   GLU  15           HA       GLU  15  -8.811  20.287 -32.259
  173   1HB   GLU  15          2HB       GLU  15  -8.488  19.365 -34.499
  174   2HB   GLU  15          3HB       GLU  15  -7.000  20.123 -33.968
  175   1HG   GLU  15          2HG       GLU  15  -6.341  17.725 -33.108
  176   2HG   GLU  15          3HG       GLU  15  -7.638  17.158 -34.142
  177    H    ARG  16           HN       ARG  16  -9.085  18.630 -30.030
  178    HA   ARG  16           HA       ARG  16 -10.740  16.558 -31.190
  179   1HB   ARG  16          2HB       ARG  16  -8.515  16.203 -29.172
  180   2HB   ARG  16          3HB       ARG  16  -9.940  15.196 -29.005
  181   1HG   ARG  16          2HG       ARG  16  -9.096  15.276 -31.801
  182   2HG   ARG  16          3HG       ARG  16  -7.749  14.807 -30.783
  183   1HD   ARG  16          2HD       ARG  16  -9.885  13.332 -29.715
  184   2HD   ARG  16          3HD       ARG  16 -10.213  13.308 -31.436
  185    HE   ARG  16           HE       ARG  16  -8.160  11.826 -30.121
  186   1HH1  ARG  16          2HH2      ARG  16  -8.600  13.800 -33.001
  187   2HH1  ARG  16          1HH2      ARG  16  -7.367  12.985 -33.903
  188   1HH2  ARG  16          2HH1      ARG  16  -6.534  10.749 -31.312
  189   2HH2  ARG  16          1HH1      ARG  16  -6.184  11.238 -32.936
  190    H    ARG  17           HN       ARG  17 -12.800  17.021 -30.485
  191    HA   ARG  17           HA       ARG  17 -13.004  18.200 -27.834
  192   1HB   ARG  17          2HB       ARG  17 -15.369  18.881 -28.756
  193   2HB   ARG  17          3HB       ARG  17 -13.968  19.764 -29.329
  194   1HG   ARG  17          2HG       ARG  17 -14.054  18.818 -31.455
  195   2HG   ARG  17          3HG       ARG  17 -14.719  17.303 -30.877
  196   1HD   ARG  17          2HD       ARG  17 -16.745  18.035 -31.613
  197   2HD   ARG  17          3HD       ARG  17 -16.741  19.157 -30.266
  198    HE   ARG  17           HE       ARG  17 -16.228  19.800 -33.078
  199   1HH1  ARG  17          2HH2      ARG  17 -15.738  20.838 -29.752
  200   2HH1  ARG  17          1HH2      ARG  17 -15.514  22.505 -30.170
  201   1HH2  ARG  17          2HH1      ARG  17 -15.933  21.998 -33.630
  202   2HH2  ARG  17          1HH1      ARG  17 -15.625  23.168 -32.391
  203    H    ARG  18           HN       ARG  18 -12.740  15.726 -27.273
  204    HA   ARG  18           HA       ARG  18 -13.571  13.840 -26.614
  205   1HB   ARG  18          2HB       ARG  18 -16.055  15.587 -26.301
  206   2HB   ARG  18          3HB       ARG  18 -16.019  13.926 -25.742
  207   1HG   ARG  18          2HG       ARG  18 -14.103  14.424 -24.257
  208   2HG   ARG  18          3HG       ARG  18 -14.013  16.061 -24.877
  209   1HD   ARG  18          2HD       ARG  18 -16.733  15.537 -23.988
  210   2HD   ARG  18          3HD       ARG  18 -15.619  15.097 -22.708
  211    HE   ARG  18           HE       ARG  18 -14.683  17.567 -23.619
  212   1HH1  ARG  18          2HH2      ARG  18 -17.728  16.363 -22.330
  213   2HH1  ARG  18          1HH2      ARG  18 -18.182  17.883 -21.634
  214   1HH2  ARG  18          2HH1      ARG  18 -15.280  19.573 -22.700
  215   2HH2  ARG  18          1HH1      ARG  18 -16.780  19.720 -21.845
  216    H    SER  19           HN       SER  19 -13.273  13.226 -29.030
  217    HA   SER  19           HA       SER  19 -15.178  13.237 -30.897
  218   1HB   SER  19          2HB       SER  19 -14.113  11.219 -31.836
  219   2HB   SER  19          3HB       SER  19 -12.904  12.332 -31.228
  220    HG   SER  19           HG       SER  19 -12.193  10.565 -30.218
  221    H    GLN  20           HN       GLN  20 -17.347  12.962 -30.273
  222    HA   GLN  20           HA       GLN  20 -19.112  12.020 -29.345
  223   1HB   GLN  20          2HB       GLN  20 -17.901   9.928 -31.153
  224   2HB   GLN  20          3HB       GLN  20 -19.354   9.529 -30.260
  225   1HG   GLN  20          2HG       GLN  20 -19.509  12.191 -31.535
  226   2HG   GLN  20          3HG       GLN  20 -19.247  10.906 -32.698
  227   1HE2  GLN  20          1HE2      GLN  20 -21.571  12.499 -32.447
  228   2HE2  GLN  20          2HE2      GLN  20 -22.915  11.481 -32.046
  229    H    LEU  21           HN       LEU  21 -17.092  12.098 -27.406
  230    HA   LEU  21           HA       LEU  21 -17.075   9.441 -26.205
  231   1HB   LEU  21          2HB       LEU  21 -14.953  10.577 -26.393
  232   2HB   LEU  21          3HB       LEU  21 -15.583  11.984 -25.559
  233    HG   LEU  21           HG       LEU  21 -14.088  10.229 -24.311
  234   1HD1  LEU  21          1HD1      LEU  21 -15.708  12.258 -23.510
  235   2HD1  LEU  21          2HD1      LEU  21 -16.407  10.892 -22.608
  236   3HD1  LEU  21          3HD1      LEU  21 -14.682  11.292 -22.422
  237   1HD2  LEU  21          1HD2      LEU  21 -16.803   8.909 -24.287
  238   2HD2  LEU  21          2HD2      LEU  21 -15.225   8.210 -24.721
  239   3HD2  LEU  21          3HD2      LEU  21 -15.583   8.615 -23.026
  240    H    ASP  22           HN       ASP  22 -19.165   9.134 -25.427
  241    HA   ASP  22           HA       ASP  22 -20.572  11.180 -24.154
  242   1HB   ASP  22          2HB       ASP  22 -21.140   8.638 -25.103
  243   2HB   ASP  22          3HB       ASP  22 -21.199   8.374 -23.372
  244    H    ARG  23           HN       ARG  23 -21.277  11.057 -21.763
  245    HA   ARG  23           HA       ARG  23 -19.019  10.930 -20.155
  246   1HB   ARG  23          2HB       ARG  23 -20.947  12.402 -19.656
  247   2HB   ARG  23          3HB       ARG  23 -21.991  11.012 -19.431
  248   1HG   ARG  23          2HG       ARG  23 -21.227  11.923 -17.249
  249   2HG   ARG  23          3HG       ARG  23 -20.670  10.277 -17.478
  250   1HD   ARG  23          2HD       ARG  23 -18.458  10.896 -17.547
  251   2HD   ARG  23          3HD       ARG  23 -18.780  12.311 -18.530
  252    HE   ARG  23           HE       ARG  23 -19.841  13.083 -16.134
  253   1HH1  ARG  23          2HH2      ARG  23 -16.748  11.615 -16.948
  254   2HH1  ARG  23          1HH2      ARG  23 -15.905  12.353 -15.628
  255   1HH2  ARG  23          2HH1      ARG  23 -18.729  14.058 -14.392
  256   2HH2  ARG  23          1HH1      ARG  23 -17.038  13.752 -14.163
  257    H    ASP  24           HN       ASP  24 -21.072   8.467 -21.369
  258    HA   ASP  24           HA       ASP  24 -20.158   6.691 -19.245
  259   1HB   ASP  24          2HB       ASP  24 -22.819   6.780 -20.719
  260   2HB   ASP  24          3HB       ASP  24 -22.272   5.312 -19.934
  261    H    GLN  25           HN       GLN  25 -19.053   7.531 -21.970
  262    HA   GLN  25           HA       GLN  25 -19.319   4.977 -23.347
  263   1HB   GLN  25          2HB       GLN  25 -19.974   7.022 -24.636
  264   2HB   GLN  25          3HB       GLN  25 -18.354   7.660 -24.433
  265   1HG   GLN  25          2HG       GLN  25 -17.489   6.314 -26.068
  266   2HG   GLN  25          3HG       GLN  25 -18.345   4.900 -25.487
  267   1HE2  GLN  25          1HE2      GLN  25 -17.914   6.081 -28.192
  268   2HE2  GLN  25          2HE2      GLN  25 -19.481   6.223 -28.914
  269    H    CYS  26           HN       CYS  26 -17.623   3.582 -23.169
  270    HA   CYS  26           HA       CYS  26 -15.366   4.140 -21.726
  271   1HB   CYS  26          2HB       CYS  26 -16.076   1.867 -22.138
  272   2HB   CYS  26          3HB       CYS  26 -15.828   2.039 -23.864
  273    H    ALA  27           HN       ALA  27 -13.421   5.162 -22.196
  274    HA   ALA  27           HA       ALA  27 -13.144   6.173 -24.929
  275   1HB   ALA  27          1HB       ALA  27 -13.213   7.852 -23.149
  276   2HB   ALA  27          2HB       ALA  27 -11.891   7.028 -22.288
  277   3HB   ALA  27          3HB       ALA  27 -11.584   7.797 -23.863
  278    H    TYR  28           HN       TYR  28 -12.616   3.380 -24.380
  279    HA   TYR  28           HA       TYR  28  -9.720   3.392 -24.874
  280   1HB   TYR  28          2HB       TYR  28 -10.789   2.557 -22.538
  281   2HB   TYR  28          3HB       TYR  28 -11.275   1.158 -23.475
  282    HD1  TYR  28           HD1      TYR  28  -8.245   3.181 -22.606
  283    HD2  TYR  28           HD2      TYR  28  -9.799  -0.642 -23.729
  284    HE1  TYR  28           HE1      TYR  28  -5.956   2.137 -22.243
  285    HE2  TYR  28           HE2      TYR  28  -7.505  -1.675 -23.362
  286    HH   TYR  28           HH       TYR  28  -4.821  -0.142 -23.362
  287    H    CYS  29           HN       CYS  29 -12.797   1.471 -25.072
  288    HA   CYS  29           HA       CYS  29 -11.720   0.297 -27.526
  289   1HB   CYS  29          2HB       CYS  29 -13.326  -1.524 -27.196
  290   2HB   CYS  29          3HB       CYS  29 -12.261  -1.358 -25.814
  291    H    LYS  30           HN       LYS  30 -14.109   2.411 -26.063
  292    HA   LYS  30           HA       LYS  30 -15.406   3.906 -27.137
  293   1HB   LYS  30          2HB       LYS  30 -15.305   2.289 -29.685
  294   2HB   LYS  30          3HB       LYS  30 -15.707   3.982 -29.484
  295   1HG   LYS  30          2HG       LYS  30 -13.065   3.450 -28.361
  296   2HG   LYS  30          3HG       LYS  30 -13.139   2.865 -30.011
  297   1HD   LYS  30          2HD       LYS  30 -12.771   5.011 -30.662
  298   2HD   LYS  30          3HD       LYS  30 -14.427   5.340 -30.190
  299   1HE   LYS  30          2HE       LYS  30 -12.007   5.564 -28.335
  300   2HE   LYS  30          3HE       LYS  30 -12.791   6.918 -29.125
  301   1HZ   LYS  30          1HZ       LYS  30 -14.834   5.664 -27.936
  302   2HZ   LYS  30          2HZ       LYS  30 -13.636   5.429 -26.851
  303   3HZ   LYS  30          3HZ       LYS  30 -14.037   6.944 -27.309
  304    H    GLU  31           HN       GLU  31 -16.013   1.384 -25.650
  305    HA   GLU  31           HA       GLU  31 -18.591   0.760 -26.840
  306   1HB   GLU  31          2HB       GLU  31 -16.980  -0.675 -24.684
  307   2HB   GLU  31          3HB       GLU  31 -18.573  -1.177 -25.215
  308   1HG   GLU  31          2HG       GLU  31 -17.787  -1.644 -27.457
  309   2HG   GLU  31          3HG       GLU  31 -16.265  -0.822 -27.173
  310    H    LYS  32           HN       LYS  32 -20.431   1.616 -25.964
  311    HA   LYS  32           HA       LYS  32 -20.161   3.193 -23.566
  312   1HB   LYS  32          2HB       LYS  32 -21.367   4.139 -25.429
  313   2HB   LYS  32          3HB       LYS  32 -22.436   2.754 -25.519
  314   1HG   LYS  32          2HG       LYS  32 -22.621   3.619 -22.827
  315   2HG   LYS  32          3HG       LYS  32 -22.587   5.101 -23.762
  316   1HD   LYS  32          2HD       LYS  32 -24.390   4.014 -25.276
  317   2HD   LYS  32          3HD       LYS  32 -24.541   2.779 -24.042
  318   1HE   LYS  32          2HE       LYS  32 -24.701   5.021 -22.472
  319   2HE   LYS  32          3HE       LYS  32 -25.368   5.658 -23.962
  320   1HZ   LYS  32          1HZ       LYS  32 -26.397   3.555 -22.262
  321   2HZ   LYS  32          2HZ       LYS  32 -27.197   4.744 -23.044
  322   3HZ   LYS  32          3HZ       LYS  32 -26.685   3.427 -23.865
  323    H    GLY  33           HN       GLY  33 -20.998   2.733 -21.547
  324   1HA   GLY  33          1HA       GLY  33 -22.818   1.427 -20.428
  325   2HA   GLY  33          2HA       GLY  33 -22.163   0.030 -21.260
  326    H    HIS  34           HN       HIS  34 -19.325   1.242 -20.983
  327    HA   HIS  34           HA       HIS  34 -18.988   0.973 -18.107
  328   1HB   HIS  34          2HB       HIS  34 -17.300  -0.712 -18.291
  329   2HB   HIS  34          3HB       HIS  34 -18.754  -1.292 -19.080
  330    HD1  HIS  34           HD1      HIS  34 -18.564  -1.999 -21.509
  331    HD2  HIS  34           HD2      HIS  34 -15.211   0.135 -20.168
  332    HE1  HIS  34           HE1      HIS  34 -16.824  -2.160 -23.368
  333    H    TRP  35           HN       TRP  35 -16.870   1.799 -17.360
  334    HA   TRP  35           HA       TRP  35 -16.045   4.000 -19.058
  335   1HB   TRP  35          2HB       TRP  35 -15.921   3.332 -16.178
  336   2HB   TRP  35          3HB       TRP  35 -14.565   4.245 -16.808
  337    HD1  TRP  35           HD1      TRP  35 -18.264   4.762 -17.915
  338    HE1  TRP  35           HE1      TRP  35 -19.055   7.226 -17.400
  339    HE3  TRP  35           HE3      TRP  35 -14.026   6.174 -15.486
  340    HZ2  TRP  35           HZ2      TRP  35 -17.847   9.440 -16.064
  341    HZ3  TRP  35           HZ3      TRP  35 -13.912   8.504 -14.607
  342    HH2  TRP  35           HH2      TRP  35 -15.734  10.115 -14.863
  343    H    ALA  36           HN       ALA  36 -13.640   4.406 -19.320
  344    HA   ALA  36           HA       ALA  36 -12.413   2.187 -20.473
  345   1HB   ALA  36          1HB       ALA  36 -11.353   4.885 -19.549
  346   2HB   ALA  36          2HB       ALA  36 -10.407   3.726 -20.513
  347   3HB   ALA  36          3HB       ALA  36 -11.895   4.435 -21.183
  348    H    LYS  37           HN       LYS  37 -12.314   3.575 -17.183
  349    HA   LYS  37           HA       LYS  37 -10.054   2.093 -16.349
  350   1HB   LYS  37          2HB       LYS  37 -12.268   3.397 -14.737
  351   2HB   LYS  37          3HB       LYS  37 -10.754   2.801 -14.089
  352   1HG   LYS  37          2HG       LYS  37 -10.348   4.590 -16.404
  353   2HG   LYS  37          3HG       LYS  37 -11.218   5.378 -15.103
  354   1HD   LYS  37          2HD       LYS  37  -9.341   4.305 -13.560
  355   2HD   LYS  37          3HD       LYS  37  -8.440   4.167 -15.057
  356   1HE   LYS  37          2HE       LYS  37  -7.776   6.312 -14.630
  357   2HE   LYS  37          3HE       LYS  37  -9.353   6.769 -15.243
  358   1HZ   LYS  37          1HZ       LYS  37  -8.678   6.273 -12.427
  359   2HZ   LYS  37          2HZ       LYS  37  -9.002   7.723 -13.107
  360   3HZ   LYS  37          3HZ       LYS  37 -10.182   6.604 -12.969
  361    H    ASP  38           HN       ASP  38 -13.171   1.140 -17.276
  362    HA   ASP  38           HA       ASP  38 -12.865  -1.275 -15.670
  363   1HB   ASP  38          2HB       ASP  38 -14.943   0.479 -15.393
  364   2HB   ASP  38          3HB       ASP  38 -15.582  -0.510 -16.691
  365    H    CYS  39           HN       CYS  39 -12.062  -0.282 -18.518
  366    HA   CYS  39           HA       CYS  39 -13.738  -1.521 -20.376
  367   1HB   CYS  39          2HB       CYS  39 -12.045   0.242 -20.900
  368   2HB   CYS  39          3HB       CYS  39 -10.771  -0.934 -20.642
  369    HA   PRO  40           HA       PRO  40 -12.546  -5.656 -19.575
  370   1HB   PRO  40          2HB       PRO  40 -13.892  -6.877 -21.615
  371   2HB   PRO  40          3HB       PRO  40 -14.647  -6.441 -20.095
  372   1HG   PRO  40          2HG       PRO  40 -14.897  -5.128 -22.732
  373   2HG   PRO  40          3HG       PRO  40 -15.940  -4.984 -21.331
  374   1HD   PRO  40          2HD       PRO  40 -13.998  -3.074 -22.228
  375   2HD   PRO  40          3HD       PRO  40 -14.957  -2.985 -20.765
  376    H    LYS  41           HN       LYS  41 -11.383  -3.740 -21.918
  377    HA   LYS  41           HA       LYS  41  -9.946  -5.887 -23.256
  378   1HB   LYS  41          2HB       LYS  41 -11.093  -3.804 -24.365
  379   2HB   LYS  41          3HB       LYS  41  -9.635  -2.962 -23.880
  380   1HG   LYS  41          2HG       LYS  41  -8.332  -4.917 -24.999
  381   2HG   LYS  41          3HG       LYS  41  -9.862  -5.385 -25.712
  382   1HD   LYS  41          2HD       LYS  41  -9.666  -3.782 -27.304
  383   2HD   LYS  41          3HD       LYS  41  -9.523  -2.533 -26.084
  384   1HE   LYS  41          2HE       LYS  41  -7.174  -4.296 -26.913
  385   2HE   LYS  41          3HE       LYS  41  -7.531  -2.770 -27.696
  386   1HZ   LYS  41          1HZ       LYS  41  -5.950  -2.543 -25.894
  387   2HZ   LYS  41          2HZ       LYS  41  -7.300  -1.675 -25.592
  388   3HZ   LYS  41          3HZ       LYS  41  -7.047  -3.088 -24.815
  389    H    LYS  42           HN       LYS  42  -9.643  -3.613 -20.639
  390    HA   LYS  42           HA       LYS  42  -6.962  -3.039 -20.657
  391   1HB   LYS  42          2HB       LYS  42  -8.941  -3.464 -18.416
  392   2HB   LYS  42          3HB       LYS  42  -7.278  -3.010 -18.100
  393   1HG   LYS  42          2HG       LYS  42  -8.687  -1.408 -20.204
  394   2HG   LYS  42          3HG       LYS  42  -9.279  -1.201 -18.568
  395   1HD   LYS  42          2HD       LYS  42  -6.477  -1.141 -18.277
  396   2HD   LYS  42          3HD       LYS  42  -6.757  -0.271 -19.771
  397   1HE   LYS  42          2HE       LYS  42  -8.421   0.339 -17.303
  398   2HE   LYS  42          3HE       LYS  42  -6.832   1.052 -17.499
  399   1HZ   LYS  42          1HZ       LYS  42  -7.831   2.546 -18.750
  400   2HZ   LYS  42          2HZ       LYS  42  -8.065   1.407 -19.896
  401   3HZ   LYS  42          3HZ       LYS  42  -9.238   1.717 -18.802
  402    HA   PRO  43           HA       PRO  43  -5.457  -7.156 -20.314
  403   1HB   PRO  43          2HB       PRO  43  -2.910  -6.625 -21.148
  404   2HB   PRO  43          3HB       PRO  43  -4.216  -7.015 -22.248
  405   1HG   PRO  43          2HG       PRO  43  -2.972  -4.389 -21.707
  406   2HG   PRO  43          3HG       PRO  43  -3.957  -4.877 -23.072
  407   1HD   PRO  43          2HD       PRO  43  -4.786  -3.273 -20.843
  408   2HD   PRO  43          3HD       PRO  43  -5.799  -3.858 -22.148
  409    H    ARG  44           HN       ARG  44  -3.716  -8.331 -19.124
  410    HA   ARG  44           HA       ARG  44  -3.772  -7.705 -16.559
  411   1HB   ARG  44          2HB       ARG  44  -2.738  -9.769 -17.572
  412   2HB   ARG  44          3HB       ARG  44  -1.323  -8.832 -18.008
  413   1HG   ARG  44          2HG       ARG  44  -0.714  -9.862 -15.955
  414   2HG   ARG  44          3HG       ARG  44  -1.132  -8.224 -15.494
  415   1HD   ARG  44          2HD       ARG  44  -2.616  -9.103 -14.014
  416   2HD   ARG  44          3HD       ARG  44  -3.591  -9.607 -15.380
  417    HE   ARG  44           HE       ARG  44  -1.535 -11.546 -15.047
  418   1HH1  ARG  44          2HH2      ARG  44  -4.365 -10.359 -13.324
  419   2HH1  ARG  44          1HH2      ARG  44  -4.666 -11.865 -12.522
  420   1HH2  ARG  44          2HH1      ARG  44  -1.932 -13.533 -13.990
  421   2HH2  ARG  44          1HH1      ARG  44  -3.273 -13.681 -12.903
  422    H    GLY  45           HN       GLY  45  -3.138  -5.946 -15.350
  423   1HA   GLY  45          1HA       GLY  45  -0.648  -4.570 -16.106
  424   2HA   GLY  45          2HA       GLY  45  -2.130  -3.652 -15.941
  425    HA   PRO  46           HA       PRO  46  -0.905  -2.201 -15.280
  426   1HB   PRO  46          2HB       PRO  46   1.028  -0.707 -14.055
  427   2HB   PRO  46          3HB       PRO  46  -0.687  -0.432 -13.822
  428   1HG   PRO  46          2HG       PRO  46   1.253  -1.696 -11.985
  429   2HG   PRO  46          3HG       PRO  46  -0.329  -1.034 -11.624
  430   1HD   PRO  46          2HD       PRO  46   0.356  -3.809 -11.868
  431   2HD   PRO  46          3HD       PRO  46  -1.247  -3.142 -11.624
  432    H    ARG  47           HN       ARG  47   0.371  -1.998 -17.081
  433    HA   ARG  47           HA       ARG  47   2.369  -4.012 -17.175
  434   1HB   ARG  47          2HB       ARG  47   0.683  -3.017 -19.049
  435   2HB   ARG  47          3HB       ARG  47   2.055  -1.977 -19.382
  436   1HG   ARG  47          2HG       ARG  47   3.512  -3.909 -19.770
  437   2HG   ARG  47          3HG       ARG  47   2.269  -5.019 -19.226
  438   1HD   ARG  47          2HD       ARG  47   1.621  -5.183 -21.402
  439   2HD   ARG  47          3HD       ARG  47   0.967  -3.565 -21.242
  440    HE   ARG  47           HE       ARG  47   3.836  -3.575 -21.816
  441   1HH1  ARG  47          2HH2      ARG  47   0.623  -3.703 -23.243
  442   2HH1  ARG  47          1HH2      ARG  47   1.143  -3.101 -24.782
  443   1HH2  ARG  47          2HH1      ARG  47   4.524  -2.782 -23.845
  444   2HH2  ARG  47          1HH1      ARG  47   3.377  -2.573 -25.127
  445    H    GLY  48           HN       GLY  48   4.607  -3.439 -18.206
  446   1HA   GLY  48          1HA       GLY  48   6.013  -1.343 -18.537
  447   2HA   GLY  48          2HA       GLY  48   5.626  -1.019 -16.859
  448    HA   PRO  49           HA       PRO  49   9.350  -3.468 -16.561
  449   1HB   PRO  49          2HB       PRO  49  10.415  -2.154 -14.416
  450   2HB   PRO  49          3HB       PRO  49  10.746  -1.702 -16.076
  451   1HG   PRO  49          2HG       PRO  49   8.993  -0.367 -14.105
  452   2HG   PRO  49          3HG       PRO  49   9.663   0.276 -15.591
  453   1HD   PRO  49          2HD       PRO  49   6.968  -0.606 -15.165
  454   2HD   PRO  49          3HD       PRO  49   7.669  -0.072 -16.679
  455    H    ARG  50           HN       ARG  50   7.704  -5.152 -16.114
  456    HA   ARG  50           HA       ARG  50   7.791  -5.627 -13.242
  457   1HB   ARG  50          2HB       ARG  50   5.497  -5.254 -14.797
  458   2HB   ARG  50          3HB       ARG  50   5.622  -7.000 -14.736
  459   1HG   ARG  50          2HG       ARG  50   4.548  -6.799 -12.727
  460   2HG   ARG  50          3HG       ARG  50   6.132  -6.381 -12.104
  461   1HD   ARG  50          2HD       ARG  50   5.629  -3.943 -12.575
  462   2HD   ARG  50          3HD       ARG  50   4.017  -4.403 -13.083
  463    HE   ARG  50           HE       ARG  50   4.956  -4.182 -10.352
  464   1HH1  ARG  50          2HH2      ARG  50   2.749  -6.000 -12.404
  465   2HH1  ARG  50          1HH2      ARG  50   1.677  -6.410 -11.107
  466   1HH2  ARG  50          2HH1      ARG  50   3.542  -4.722  -8.640
  467   2HH2  ARG  50          1HH1      ARG  50   2.131  -5.678  -8.952
  468    HA   PRO  51           HA       PRO  51   9.843  -9.240 -14.708
  469   1HB   PRO  51          2HB       PRO  51  10.596 -10.236 -12.277
  470   2HB   PRO  51          3HB       PRO  51  11.526  -9.035 -13.149
  471   1HG   PRO  51          2HG       PRO  51   9.800  -8.678 -10.776
  472   2HG   PRO  51          3HG       PRO  51  11.046  -7.614 -11.396
  473   1HD   PRO  51          2HD       PRO  51   8.211  -7.273 -11.661
  474   2HD   PRO  51          3HD       PRO  51   9.459  -6.273 -12.380
  475    H    GLN  52           HN       GLN  52   8.042 -10.211 -15.691
  476    HA   GLN  52           HA       GLN  52   7.347 -12.577 -14.392
  477   1HB   GLN  52          2HB       GLN  52   5.900 -10.685 -13.228
  478   2HB   GLN  52          3HB       GLN  52   4.929 -10.785 -14.683
  479   1HG   GLN  52          2HG       GLN  52   4.051 -12.819 -14.107
  480   2HG   GLN  52          3HG       GLN  52   5.599 -13.445 -13.577
  481   1HE2  GLN  52          1HE2      GLN  52   3.695 -14.242 -12.071
  482   2HE2  GLN  52          2HE2      GLN  52   3.551 -13.390 -10.569
  483    H    THR  53           HN       THR  53   6.807 -14.052 -15.977
  484    HA   THR  53           HA       THR  53   6.385 -14.865 -18.002
  485    HB   THR  53           HB       THR  53   4.568 -12.400 -18.103
  486    HG1  THR  53           HG1      THR  53   3.070 -14.235 -17.497
  487   1HG2  THR  53          1HG2      THR  53   5.176 -14.128 -20.241
  488   2HG2  THR  53          2HG2      THR  53   3.730 -14.860 -19.507
  489   3HG2  THR  53          3HG2      THR  53   3.683 -13.173 -20.073
  490    H    SER  54           HN       SER  54   7.154 -14.868 -20.130
  491    HA   SER  54           HA       SER  54   8.209 -12.408 -21.143
  492   1HB   SER  54          2HB       SER  54  10.083 -14.765 -20.665
  493   2HB   SER  54          3HB       SER  54  10.513 -13.233 -21.398
  494    HG   SER  54           HG       SER  54   9.677 -12.296 -19.240
  495    H    LEU  55           HN       LEU  55   8.419 -16.031 -21.490
  496    HA   LEU  55           HA       LEU  55   7.157 -15.808 -24.082
  497   1HB   LEU  55          2HB       LEU  55   8.900 -16.993 -25.262
  498   2HB   LEU  55          3HB       LEU  55   9.476 -15.456 -24.647
  499    HG   LEU  55           HG       LEU  55  10.085 -17.412 -22.674
  500   1HD1  LEU  55          1HD1      LEU  55  11.664 -18.818 -24.128
  501   2HD1  LEU  55          2HD1      LEU  55   9.932 -19.229 -24.138
  502   3HD1  LEU  55          3HD1      LEU  55  10.640 -18.320 -25.494
  503   1HD2  LEU  55          1HD2      LEU  55  11.310 -15.331 -23.089
  504   2HD2  LEU  55          2HD2      LEU  55  12.388 -16.747 -23.124
  505   3HD2  LEU  55          3HD2      LEU  55  11.883 -15.976 -24.646
  506    H    LEU  56           HN       LEU  56   5.536 -16.788 -22.541
  507    HA   LEU  56           HA       LEU  56   4.483 -18.516 -21.644
  508   1HB   LEU  56          2HB       LEU  56   5.142 -19.112 -24.255
  509   2HB   LEU  56          3HB       LEU  56   5.646 -20.553 -23.392
  510    HG   LEU  56           HG       LEU  56   3.143 -20.089 -22.327
  511   1HD1  LEU  56          1HD1      LEU  56   3.224 -19.059 -25.143
  512   2HD1  LEU  56          2HD1      LEU  56   1.779 -19.916 -24.553
  513   3HD1  LEU  56          3HD1      LEU  56   2.340 -18.443 -23.725
  514   1HD2  LEU  56          1HD2      LEU  56   4.127 -21.875 -24.547
  515   2HD2  LEU  56          2HD2      LEU  56   3.796 -22.273 -22.845
  516   3HD2  LEU  56          3HD2      LEU  56   2.449 -21.944 -23.961
  Start of MODEL    8
    1   1H5*    U 517          1H5*        U 517  -0.002   0.932 -28.670
    2   2H5*    U 517          2H5*        U 517  -0.965   2.056 -27.712
    3    H4*    U 517           H4*        U 517  -1.769   1.694 -30.051
    4    H3*    U 517           H3*        U 517  -3.526   1.317 -27.662
    5    H2*    U 517           H2*        U 517  -5.371   0.703 -29.026
    6   2HO*    U 517          2HO*        U 517  -5.312   1.393 -31.117
    7    H1*    U 517           H1*        U 517  -3.904  -1.152 -30.514
    8    H3     U 517           H3         U 517  -6.073  -4.227 -28.100
    9    H5     U 517           H5         U 517  -4.099  -2.003 -25.152
   10    H6     U 517           H6         U 517  -3.296  -0.531 -26.940
   11   1H5*    U 518          1H5*        U 518  -4.731   5.171 -29.470
   12   2H5*    U 518          2H5*        U 518  -4.799   6.569 -28.398
   13    H4*    U 518           H4*        U 518  -7.017   6.218 -28.546
   14    H3*    U 518           H3*        U 518  -6.141   4.323 -26.384
   15    H2*    U 518           H2*        U 518  -8.269   3.403 -26.250
   16   2HO*    U 518          2HO*        U 518  -9.340   5.363 -26.024
   17    H1*    U 518           H1*        U 518  -8.706   4.009 -29.120
   18    H3     U 518           H3         U 518 -10.196  -0.162 -29.667
   19    H5     U 518           H5         U 518  -6.761  -0.751 -27.345
   20    H6     U 518           H6         U 518  -6.491   1.686 -27.304
   21   1H5*    U 519          1H5*        U 519  -8.665   7.091 -24.073
   22   2H5*    U 519          2H5*        U 519  -7.575   8.265 -23.335
   23    H4*    U 519           H4*        U 519  -9.390   7.375 -21.846
   24    H3*    U 519           H3*        U 519  -6.487   7.251 -21.076
   25    H2*    U 519           H2*        U 519  -7.097   6.397 -18.938
   26   2HO*    U 519          2HO*        U 519  -8.971   7.719 -18.790
   27    H1*    U 519           H1*        U 519  -8.773   4.435 -20.007
   28    H3     U 519           H3         U 519  -4.878   2.604 -18.272
   29    H5     U 519           H5         U 519  -4.167   3.289 -22.342
   30    H6     U 519           H6         U 519  -6.264   4.558 -22.394
   31   1H5*    U 520          1H5*        U 520  -8.669  11.133 -20.877
   32   2H5*    U 520          2H5*        U 520  -7.621  10.643 -22.208
   33    H4*    U 520           H4*        U 520  -6.639  13.116 -21.171
   34    H3*    U 520           H3*        U 520  -9.608  13.002 -21.284
   35    H2*    U 520           H2*        U 520  -9.773  14.999 -22.547
   36   2HO*    U 520          2HO*        U 520  -6.964  15.293 -22.641
   37    H1*    U 520           H1*        U 520  -7.948  14.275 -24.469
   38    H3     U 520           H3         U 520 -11.587  13.234 -26.864
   39    H5     U 520           H5         U 520 -11.795  10.530 -23.673
   40    H6     U 520           H6         U 520  -9.822  11.641 -22.732
   41   1H5*    G 521          1H5*        G 521 -11.777  14.957 -19.430
   42   2H5*    G 521          2H5*        G 521 -11.034  14.964 -17.830
   43    H4*    G 521           H4*        G 521 -13.394  14.440 -17.679
   44    H3*    G 521           H3*        G 521 -11.496  12.206 -16.964
   45    H2*    G 521           H2*        G 521 -13.350  10.943 -16.193
   46   2HO*    G 521          2HO*        G 521 -14.508  12.567 -15.200
   47    H1*    G 521           H1*        G 521 -14.902  11.652 -18.482
   48    H8     G 521           H8         G 521 -11.435  10.128 -17.837
   49    H1     G 521           H1         G 521 -15.528   6.442 -21.235
   50   1H2     G 521          1H2         G 521 -17.292   7.467 -21.534
   51   2H2     G 521          2H2         G 521 -17.614   9.085 -20.952
   52   1H5*    C 522          1H5*        C 522 -13.351  15.186 -14.634
   53   2H5*    C 522          2H5*        C 522 -12.003  15.901 -13.753
   54    H4*    C 522           H4*        C 522 -13.730  16.972 -12.736
   55    H3*    C 522           H3*        C 522 -13.188  14.489 -11.166
   56    H2*    C 522           H2*        C 522 -15.017  14.917  -9.715
   57   2HO*    C 522          2HO*        C 522 -14.744  17.160  -9.628
   58    H1*    C 522           H1*        C 522 -16.803  15.412 -11.820
   59   1H4     C 522          1H4         C 522 -17.726   9.103 -11.616
   60   2H4     C 522          2H4         C 522 -16.297   8.928 -10.621
   61    H5     C 522           H5         C 522 -14.847  10.710 -10.076
   62    H6     C 522           H6         C 522 -14.405  13.123 -10.355
   63   1H5*    U 523          1H5*        U 523 -11.868  17.581  -7.337
   64   2H5*    U 523          2H5*        U 523 -11.011  16.169  -6.721
   65    H4*    U 523           H4*        U 523 -12.757  17.193  -5.204
   66    H3*    U 523           H3*        U 523 -12.814  14.255  -5.910
   67    H2*    U 523           H2*        U 523 -14.509  13.958  -4.305
   68   2HO*    U 523          2HO*        U 523 -14.174  16.683  -3.513
   69    H1*    U 523           H1*        U 523 -15.719  16.493  -5.031
   70    H3     U 523           H3         U 523 -19.380  14.180  -6.115
   71    H5     U 523           H5         U 523 -16.372  12.059  -8.113
   72    H6     U 523           H6         U 523 -14.755  13.614  -7.123
   73   1H    ALA   1           HN       ALA   1   2.792  14.536 -80.067
   74    HA   ALA   1           HA       ALA   1   2.539  13.615 -77.864
   75   1HB   ALA   1          1HB       ALA   1   4.002  14.991 -76.608
   76   2HB   ALA   1          2HB       ALA   1   3.185  16.484 -77.131
   77   3HB   ALA   1          3HB       ALA   1   2.381  15.383 -75.987
   78    H    THR   2           HN       THR   2   0.421  13.094 -77.535
   79    HA   THR   2           HA       THR   2  -1.623  15.058 -77.450
   80    HB   THR   2           HB       THR   2  -0.963  14.801 -79.986
   81    HG1  THR   2           HG1      THR   2  -3.665  14.160 -79.040
   82   1HG2  THR   2          1HG2      THR   2  -2.020  12.957 -81.149
   83   2HG2  THR   2          2HG2      THR   2  -1.043  12.216 -79.858
   84   3HG2  THR   2          3HG2      THR   2  -2.805  12.384 -79.658
   85    H    VAL   3           HN       VAL   3  -2.678  14.268 -75.739
   86    HA   VAL   3           HA       VAL   3  -4.084  11.854 -75.951
   87    HB   VAL   3           HB       VAL   3  -1.769  10.972 -75.622
   88   1HG1  VAL   3          1HG1      VAL   3  -0.493  12.112 -74.161
   89   2HG1  VAL   3          2HG1      VAL   3  -1.902  12.792 -73.312
   90   3HG1  VAL   3          3HG1      VAL   3  -1.326  11.155 -72.913
   91   1HG2  VAL   3          1HG2      VAL   3  -3.385  10.227 -73.202
   92   2HG2  VAL   3          2HG2      VAL   3  -4.046   9.923 -74.826
   93   3HG2  VAL   3          3HG2      VAL   3  -2.498   9.188 -74.343
   94    H    VAL   4           HN       VAL   4  -5.292  11.399 -73.853
   95    HA   VAL   4           HA       VAL   4  -5.437  13.847 -72.237
   96    HB   VAL   4           HB       VAL   4  -7.926  13.315 -72.124
   97   1HG1  VAL   4          1HG1      VAL   4  -6.428  14.502 -74.419
   98   2HG1  VAL   4          2HG1      VAL   4  -8.184  14.275 -74.603
   99   3HG1  VAL   4          3HG1      VAL   4  -7.548  15.262 -73.265
  100   1HG2  VAL   4          1HG2      VAL   4  -7.485  11.007 -73.254
  101   2HG2  VAL   4          2HG2      VAL   4  -8.944  11.928 -73.690
  102   3HG2  VAL   4          3HG2      VAL   4  -7.531  11.934 -74.772
  103    H    SER   5           HN       SER   5  -5.378  13.519 -70.052
  104    HA   SER   5           HA       SER   5  -6.462  11.494 -68.677
  105   1HB   SER   5          2HB       SER   5  -5.213   9.748 -69.642
  106   2HB   SER   5          3HB       SER   5  -3.762  10.721 -69.785
  107    HG   SER   5           HG       SER   5  -4.805  10.115 -67.180
  108    H    GLY   6           HN       GLY   6  -6.057  11.765 -66.411
  109   1HA   GLY   6          1HA       GLY   6  -4.097  12.580 -64.932
  110   2HA   GLY   6          2HA       GLY   6  -4.355  14.081 -65.796
  111    H    GLN   7           HN       GLN   7  -4.944  12.780 -62.900
  112    HA   GLN   7           HA       GLN   7  -7.016  14.545 -62.327
  113   1HB   GLN   7          2HB       GLN   7  -7.810  11.779 -63.055
  114   2HB   GLN   7          3HB       GLN   7  -8.461  12.325 -61.522
  115   1HG   GLN   7          2HG       GLN   7 -10.035  13.498 -62.650
  116   2HG   GLN   7          3HG       GLN   7  -8.772  14.534 -63.283
  117   1HE2  GLN   7          1HE2      GLN   7 -10.396  14.622 -65.048
  118   2HE2  GLN   7          2HE2      GLN   7 -10.284  13.469 -66.335
  119    H    LYS   8           HN       LYS   8  -7.356  14.722 -60.021
  120    HA   LYS   8           HA       LYS   8  -5.919  12.813 -58.367
  121   1HB   LYS   8          2HB       LYS   8  -4.600  14.504 -57.252
  122   2HB   LYS   8          3HB       LYS   8  -4.236  14.509 -58.966
  123   1HG   LYS   8          2HG       LYS   8  -6.467  16.321 -58.350
  124   2HG   LYS   8          3HG       LYS   8  -5.045  16.722 -57.407
  125   1HD   LYS   8          2HD       LYS   8  -4.291  17.817 -59.253
  126   2HD   LYS   8          3HD       LYS   8  -3.963  16.236 -59.934
  127   1HE   LYS   8          2HE       LYS   8  -6.349  16.203 -60.830
  128   2HE   LYS   8          3HE       LYS   8  -6.533  17.853 -60.272
  129   1HZ   LYS   8          1HZ       LYS   8  -5.738  18.317 -62.282
  130   2HZ   LYS   8          2HZ       LYS   8  -4.268  18.004 -61.643
  131   3HZ   LYS   8          3HZ       LYS   8  -5.045  16.854 -62.503
  132    H    GLN   9           HN       GLN   9  -6.294  13.512 -55.928
  133    HA   GLN   9           HA       GLN   9  -8.988  14.610 -55.768
  134   1HB   GLN   9          2HB       GLN   9  -9.580  12.920 -54.086
  135   2HB   GLN   9          3HB       GLN   9  -9.087  12.138 -55.576
  136   1HG   GLN   9          2HG       GLN   9  -6.662  12.352 -54.251
  137   2HG   GLN   9          3HG       GLN   9  -7.766  12.129 -52.908
  138   1HE2  GLN   9          1HE2      GLN   9  -7.747  10.111 -52.296
  139   2HE2  GLN   9          2HE2      GLN   9  -7.813   8.705 -53.305
  140    H    ASP  10           HN       ASP  10  -9.532  15.346 -53.450
  141    HA   ASP  10           HA       ASP  10  -7.079  16.390 -52.268
  142   1HB   ASP  10          2HB       ASP  10  -9.366  17.748 -53.228
  143   2HB   ASP  10          3HB       ASP  10  -9.570  17.753 -51.488
  144    H    ARG  11           HN       ARG  11  -6.770  15.935 -50.049
  145    HA   ARG  11           HA       ARG  11  -8.886  14.372 -48.833
  146   1HB   ARG  11          2HB       ARG  11  -5.914  14.653 -48.167
  147   2HB   ARG  11          3HB       ARG  11  -7.029  13.719 -47.190
  148   1HG   ARG  11          2HG       ARG  11  -6.891  11.957 -48.611
  149   2HG   ARG  11          3HG       ARG  11  -7.367  12.956 -49.969
  150   1HD   ARG  11          2HD       ARG  11  -5.253  12.670 -50.768
  151   2HD   ARG  11          3HD       ARG  11  -4.723  13.763 -49.506
  152    HE   ARG  11           HE       ARG  11  -3.742  11.949 -48.424
  153   1HH1  ARG  11          2HH2      ARG  11  -6.299  10.748 -50.521
  154   2HH1  ARG  11          1HH2      ARG  11  -5.959   9.081 -50.195
  155   1HH2  ARG  11          2HH1      ARG  11  -3.292   9.750 -47.992
  156   2HH2  ARG  11          1HH1      ARG  11  -4.238   8.510 -48.746
  157    H    GLN  12           HN       GLN  12  -9.627  14.868 -46.657
  158    HA   GLN  12           HA       GLN  12  -8.654  17.390 -45.601
  159   1HB   GLN  12          2HB       GLN  12 -11.239  16.977 -46.824
  160   2HB   GLN  12          3HB       GLN  12 -11.480  17.269 -45.113
  161   1HG   GLN  12          2HG       GLN  12 -10.519  19.415 -45.194
  162   2HG   GLN  12          3HG       GLN  12  -9.543  19.045 -46.601
  163   1HE2  GLN  12          1HE2      GLN  12 -10.137  20.036 -48.357
  164   2HE2  GLN  12          2HE2      GLN  12 -11.744  20.476 -48.832
  165    H    GLY  13           HN       GLY  13  -9.611  17.724 -43.262
  166   1HA   GLY  13          1HA       GLY  13 -10.531  15.454 -41.833
  167   2HA   GLY  13          2HA       GLY  13  -8.795  15.615 -41.653
  168    H    GLY  14           HN       GLY  14 -10.804  15.936 -39.544
  169   1HA   GLY  14          1HA       GLY  14  -9.921  17.843 -37.965
  170   2HA   GLY  14          2HA       GLY  14 -10.887  18.819 -39.054
  171    H    GLU  15           HN       GLU  15 -10.924  16.364 -36.503
  172    HA   GLU  15           HA       GLU  15 -13.813  16.742 -36.364
  173   1HB   GLU  15          2HB       GLU  15 -12.367  14.289 -36.742
  174   2HB   GLU  15          3HB       GLU  15 -13.051  14.244 -35.129
  175   1HG   GLU  15          2HG       GLU  15 -15.273  15.041 -36.240
  176   2HG   GLU  15          3HG       GLU  15 -14.521  14.628 -37.767
  177    H    ARG  16           HN       ARG  16 -14.601  16.021 -34.002
  178    HA   ARG  16           HA       ARG  16 -13.112  17.686 -32.259
  179   1HB   ARG  16          2HB       ARG  16 -15.794  16.825 -32.469
  180   2HB   ARG  16          3HB       ARG  16 -15.230  16.071 -30.991
  181   1HG   ARG  16          2HG       ARG  16 -14.190  18.573 -30.635
  182   2HG   ARG  16          3HG       ARG  16 -15.572  18.981 -31.631
  183   1HD   ARG  16          2HD       ARG  16 -17.054  17.684 -30.035
  184   2HD   ARG  16          3HD       ARG  16 -15.658  17.400 -29.015
  185    HE   ARG  16           HE       ARG  16 -15.807  19.603 -28.241
  186   1HH1  ARG  16          2HH2      ARG  16 -17.631  19.314 -31.237
  187   2HH1  ARG  16          1HH2      ARG  16 -18.296  20.911 -31.135
  188   1HH2  ARG  16          2HH1      ARG  16 -16.685  21.709 -28.106
  189   2HH2  ARG  16          1HH1      ARG  16 -17.754  22.281 -29.343
  190    H    ARG  17           HN       ARG  17 -12.118  17.032 -30.223
  191    HA   ARG  17           HA       ARG  17 -10.741  14.641 -30.406
  192   1HB   ARG  17          2HB       ARG  17 -10.930  16.918 -28.553
  193   2HB   ARG  17          3HB       ARG  17 -10.686  15.421 -27.679
  194   1HG   ARG  17          2HG       ARG  17  -8.648  14.930 -28.863
  195   2HG   ARG  17          3HG       ARG  17  -8.984  16.123 -30.102
  196   1HD   ARG  17          2HD       ARG  17  -8.713  17.958 -28.448
  197   2HD   ARG  17          3HD       ARG  17  -8.462  16.793 -27.164
  198    HE   ARG  17           HE       ARG  17  -6.610  16.442 -29.406
  199   1HH1  ARG  17          2HH2      ARG  17  -7.181  18.155 -26.385
  200   2HH1  ARG  17          1HH2      ARG  17  -5.504  18.481 -26.105
  201   1HH2  ARG  17          2HH1      ARG  17  -4.396  16.871 -29.035
  202   2HH2  ARG  17          1HH1      ARG  17  -3.909  17.745 -27.621
  203    H    ARG  18           HN       ARG  18 -13.342  15.694 -28.077
  204    HA   ARG  18           HA       ARG  18 -13.639  12.977 -27.235
  205   1HB   ARG  18          2HB       ARG  18 -15.436  15.302 -26.433
  206   2HB   ARG  18          3HB       ARG  18 -15.077  13.855 -25.513
  207   1HG   ARG  18          2HG       ARG  18 -12.673  14.603 -25.331
  208   2HG   ARG  18          3HG       ARG  18 -13.088  16.076 -26.183
  209   1HD   ARG  18          2HD       ARG  18 -14.780  15.403 -23.794
  210   2HD   ARG  18          3HD       ARG  18 -13.125  15.872 -23.463
  211    HE   ARG  18           HE       ARG  18 -15.255  17.608 -24.408
  212   1HH1  ARG  18          2HH2      ARG  18 -11.771  17.118 -24.506
  213   2HH1  ARG  18          1HH2      ARG  18 -11.416  18.788 -24.803
  214   1HH2  ARG  18          2HH1      ARG  18 -14.786  19.810 -24.800
  215   2HH2  ARG  18          1HH1      ARG  18 -13.142  20.329 -24.971
  216    H    SER  19           HN       SER  19 -14.206  12.836 -29.847
  217    HA   SER  19           HA       SER  19 -16.468  13.628 -30.942
  218   1HB   SER  19          2HB       SER  19 -14.727  11.305 -31.211
  219   2HB   SER  19          3HB       SER  19 -16.383  10.852 -31.562
  220    HG   SER  19           HG       SER  19 -16.382  12.054 -33.358
  221    H    GLN  20           HN       GLN  20 -18.339  13.934 -29.704
  222    HA   GLN  20           HA       GLN  20 -19.964  13.468 -28.291
  223   1HB   GLN  20          2HB       GLN  20 -20.088  11.641 -30.601
  224   2HB   GLN  20          3HB       GLN  20 -21.006  11.046 -29.233
  225   1HG   GLN  20          2HG       GLN  20 -22.664  12.445 -29.927
  226   2HG   GLN  20          3HG       GLN  20 -21.698  13.740 -29.249
  227   1HE2  GLN  20          1HE2      GLN  20 -23.361  12.855 -31.869
  228   2HE2  GLN  20          2HE2      GLN  20 -22.536  13.707 -33.132
  229    H    LEU  21           HN       LEU  21 -17.890  12.932 -26.770
  230    HA   LEU  21           HA       LEU  21 -17.750  10.180 -25.991
  231   1HB   LEU  21          2HB       LEU  21 -15.963  12.117 -25.948
  232   2HB   LEU  21          3HB       LEU  21 -16.645  12.431 -24.365
  233    HG   LEU  21           HG       LEU  21 -15.000  10.140 -25.317
  234   1HD1  LEU  21          1HD1      LEU  21 -15.177  11.826 -22.819
  235   2HD1  LEU  21          2HD1      LEU  21 -14.183  10.352 -22.909
  236   3HD1  LEU  21          3HD1      LEU  21 -13.854  11.717 -24.004
  237   1HD2  LEU  21          1HD2      LEU  21 -16.823   8.806 -24.733
  238   2HD2  LEU  21          2HD2      LEU  21 -15.824   8.832 -23.260
  239   3HD2  LEU  21          3HD2      LEU  21 -17.278   9.853 -23.366
  240    H    ASP  22           HN       ASP  22 -19.776   9.473 -25.301
  241    HA   ASP  22           HA       ASP  22 -21.456  10.985 -23.720
  242   1HB   ASP  22          2HB       ASP  22 -21.226   8.193 -24.639
  243   2HB   ASP  22          3HB       ASP  22 -21.935   8.288 -23.039
  244    H    ARG  23           HN       ARG  23 -21.826  10.937 -21.389
  245    HA   ARG  23           HA       ARG  23 -19.527  10.716 -19.877
  246   1HB   ARG  23          2HB       ARG  23 -22.443  11.178 -19.362
  247   2HB   ARG  23          3HB       ARG  23 -21.522  10.608 -17.983
  248   1HG   ARG  23          2HG       ARG  23 -20.893  13.071 -19.676
  249   2HG   ARG  23          3HG       ARG  23 -21.524  13.075 -18.041
  250   1HD   ARG  23          2HD       ARG  23 -19.221  11.467 -17.848
  251   2HD   ARG  23          3HD       ARG  23 -18.744  12.725 -18.971
  252    HE   ARG  23           HE       ARG  23 -20.146  13.808 -16.656
  253   1HH1  ARG  23          2HH2      ARG  23 -17.020  12.680 -17.809
  254   2HH1  ARG  23          1HH2      ARG  23 -16.117  13.613 -16.661
  255   1HH2  ARG  23          2HH1      ARG  23 -18.957  15.039 -15.143
  256   2HH2  ARG  23          1HH1      ARG  23 -17.226  14.964 -15.135
  257    H    ASP  24           HN       ASP  24 -21.599   8.290 -21.112
  258    HA   ASP  24           HA       ASP  24 -20.711   6.461 -19.020
  259   1HB   ASP  24          2HB       ASP  24 -22.707   5.084 -19.542
  260   2HB   ASP  24          3HB       ASP  24 -23.167   6.698 -19.033
  261    H    GLN  25           HN       GLN  25 -19.241   7.311 -21.448
  262    HA   GLN  25           HA       GLN  25 -19.492   4.926 -23.099
  263   1HB   GLN  25          2HB       GLN  25 -19.493   7.513 -23.921
  264   2HB   GLN  25          3HB       GLN  25 -17.765   7.223 -23.957
  265   1HG   GLN  25          2HG       GLN  25 -18.741   4.916 -25.157
  266   2HG   GLN  25          3HG       GLN  25 -19.906   6.111 -25.695
  267   1HE2  GLN  25          1HE2      GLN  25 -19.200   5.982 -27.808
  268   2HE2  GLN  25          2HE2      GLN  25 -17.717   6.685 -28.363
  269    H    CYS  26           HN       CYS  26 -17.125   4.451 -24.187
  270    HA   CYS  26           HA       CYS  26 -15.265   4.370 -21.922
  271   1HB   CYS  26          2HB       CYS  26 -16.139   2.142 -22.305
  272   2HB   CYS  26          3HB       CYS  26 -15.793   2.241 -24.020
  273    H    ALA  27           HN       ALA  27 -13.310   5.364 -22.337
  274    HA   ALA  27           HA       ALA  27 -12.840   6.221 -25.087
  275   1HB   ALA  27          1HB       ALA  27 -12.069   7.160 -22.344
  276   2HB   ALA  27          2HB       ALA  27 -10.961   7.514 -23.690
  277   3HB   ALA  27          3HB       ALA  27 -12.643   8.091 -23.748
  278    H    TYR  28           HN       TYR  28 -12.521   3.407 -24.397
  279    HA   TYR  28           HA       TYR  28  -9.613   3.209 -24.787
  280   1HB   TYR  28          2HB       TYR  28 -10.826   2.489 -22.497
  281   2HB   TYR  28          3HB       TYR  28 -11.413   1.131 -23.436
  282    HD1  TYR  28           HD1      TYR  28  -8.323   2.806 -22.217
  283    HD2  TYR  28           HD2      TYR  28 -10.022  -0.747 -23.888
  284    HE1  TYR  28           HE1      TYR  28  -6.158   1.550 -21.767
  285    HE2  TYR  28           HE2      TYR  28  -7.853  -1.991 -23.432
  286    HH   TYR  28           HH       TYR  28  -5.792  -1.832 -22.781
  287    H    CYS  29           HN       CYS  29 -12.762   1.408 -25.061
  288    HA   CYS  29           HA       CYS  29 -11.673   0.189 -27.485
  289   1HB   CYS  29          2HB       CYS  29 -13.396  -1.544 -27.196
  290   2HB   CYS  29          3HB       CYS  29 -12.335  -1.438 -25.804
  291    H    LYS  30           HN       LYS  30 -14.042   2.391 -26.099
  292    HA   LYS  30           HA       LYS  30 -15.204   3.954 -27.249
  293   1HB   LYS  30          2HB       LYS  30 -13.807   3.040 -29.338
  294   2HB   LYS  30          3HB       LYS  30 -15.369   2.387 -29.785
  295   1HG   LYS  30          2HG       LYS  30 -16.053   4.430 -30.480
  296   2HG   LYS  30          3HG       LYS  30 -15.804   5.082 -28.872
  297   1HD   LYS  30          2HD       LYS  30 -13.202   4.777 -30.039
  298   2HD   LYS  30          3HD       LYS  30 -14.217   5.503 -31.270
  299   1HE   LYS  30          2HE       LYS  30 -14.612   6.671 -28.566
  300   2HE   LYS  30          3HE       LYS  30 -12.987   6.881 -29.188
  301   1HZ   LYS  30          1HZ       LYS  30 -14.424   8.657 -29.880
  302   2HZ   LYS  30          2HZ       LYS  30 -13.937   7.811 -31.190
  303   3HZ   LYS  30          3HZ       LYS  30 -15.452   7.618 -30.609
  304    H    GLU  31           HN       GLU  31 -15.952   1.448 -25.745
  305    HA   GLU  31           HA       GLU  31 -18.476   0.802 -26.980
  306   1HB   GLU  31          2HB       GLU  31 -16.976  -0.964 -25.959
  307   2HB   GLU  31          3HB       GLU  31 -17.268  -0.251 -24.385
  308   1HG   GLU  31          2HG       GLU  31 -19.674  -0.935 -26.066
  309   2HG   GLU  31          3HG       GLU  31 -18.785  -2.265 -25.348
  310    H    LYS  32           HN       LYS  32 -20.462   0.703 -25.428
  311    HA   LYS  32           HA       LYS  32 -20.377   3.042 -23.652
  312   1HB   LYS  32          2HB       LYS  32 -22.384   2.301 -25.775
  313   2HB   LYS  32          3HB       LYS  32 -22.861   3.269 -24.395
  314   1HG   LYS  32          2HG       LYS  32 -21.447   5.066 -24.984
  315   2HG   LYS  32          3HG       LYS  32 -20.365   4.049 -25.917
  316   1HD   LYS  32          2HD       LYS  32 -21.484   4.653 -27.792
  317   2HD   LYS  32          3HD       LYS  32 -22.886   3.788 -27.194
  318   1HE   LYS  32          2HE       LYS  32 -23.071   6.124 -25.735
  319   2HE   LYS  32          3HE       LYS  32 -22.334   6.721 -27.208
  320   1HZ   LYS  32          1HZ       LYS  32 -24.271   6.532 -28.202
  321   2HZ   LYS  32          2HZ       LYS  32 -24.371   4.937 -27.867
  322   3HZ   LYS  32          3HZ       LYS  32 -24.968   6.031 -26.813
  323    H    GLY  33           HN       GLY  33 -21.071   2.688 -21.596
  324   1HA   GLY  33          1HA       GLY  33 -22.910   1.542 -20.336
  325   2HA   GLY  33          2HA       GLY  33 -22.330   0.062 -21.073
  326    H    HIS  34           HN       HIS  34 -19.441   1.036 -20.979
  327    HA   HIS  34           HA       HIS  34 -19.057   0.906 -18.082
  328   1HB   HIS  34          2HB       HIS  34 -17.337  -0.733 -18.305
  329   2HB   HIS  34          3HB       HIS  34 -18.773  -1.340 -19.104
  330    HD1  HIS  34           HD1      HIS  34 -18.601  -1.909 -21.586
  331    HD2  HIS  34           HD2      HIS  34 -15.235   0.123 -20.124
  332    HE1  HIS  34           HE1      HIS  34 -16.847  -2.008 -23.436
  333    H    TRP  35           HN       TRP  35 -16.782   1.617 -17.447
  334    HA   TRP  35           HA       TRP  35 -16.085   3.903 -19.128
  335   1HB   TRP  35          2HB       TRP  35 -15.872   3.254 -16.230
  336   2HB   TRP  35          3HB       TRP  35 -14.636   4.288 -16.921
  337    HD1  TRP  35           HD1      TRP  35 -18.368   4.476 -17.982
  338    HE1  TRP  35           HE1      TRP  35 -19.389   6.841 -17.411
  339    HE3  TRP  35           HE3      TRP  35 -14.292   6.216 -15.491
  340    HZ2  TRP  35           HZ2      TRP  35 -18.399   9.123 -16.013
  341    HZ3  TRP  35           HZ3      TRP  35 -14.401   8.523 -14.554
  342    HH2  TRP  35           HH2      TRP  35 -16.364   9.961 -14.782
  343    H    ALA  36           HN       ALA  36 -13.708   4.342 -19.437
  344    HA   ALA  36           HA       ALA  36 -12.430   2.121 -20.524
  345   1HB   ALA  36          1HB       ALA  36 -12.010   4.409 -21.260
  346   2HB   ALA  36          2HB       ALA  36 -11.365   4.839 -19.657
  347   3HB   ALA  36          3HB       ALA  36 -10.488   3.684 -20.689
  348    H    LYS  37           HN       LYS  37 -12.323   3.628 -17.282
  349    HA   LYS  37           HA       LYS  37 -10.037   2.206 -16.419
  350   1HB   LYS  37          2HB       LYS  37 -12.182   3.851 -15.113
  351   2HB   LYS  37          3HB       LYS  37 -11.129   2.870 -14.112
  352   1HG   LYS  37          2HG       LYS  37  -9.251   4.140 -14.584
  353   2HG   LYS  37          3HG       LYS  37  -9.753   4.476 -16.229
  354   1HD   LYS  37          2HD       LYS  37 -11.624   5.707 -14.358
  355   2HD   LYS  37          3HD       LYS  37  -9.987   6.190 -13.962
  356   1HE   LYS  37          2HE       LYS  37  -9.761   6.595 -16.578
  357   2HE   LYS  37          3HE       LYS  37 -11.513   6.626 -16.544
  358   1HZ   LYS  37          1HZ       LYS  37 -10.795   8.802 -16.200
  359   2HZ   LYS  37          2HZ       LYS  37 -11.267   8.293 -14.721
  360   3HZ   LYS  37          3HZ       LYS  37  -9.678   8.382 -15.085
  361    H    ASP  38           HN       ASP  38 -13.143   1.173 -17.285
  362    HA   ASP  38           HA       ASP  38 -12.767  -1.193 -15.627
  363   1HB   ASP  38          2HB       ASP  38 -14.866   0.569 -15.341
  364   2HB   ASP  38          3HB       ASP  38 -15.540  -0.532 -16.525
  365    H    CYS  39           HN       CYS  39 -12.133  -0.215 -18.537
  366    HA   CYS  39           HA       CYS  39 -13.850  -1.430 -20.327
  367   1HB   CYS  39          2HB       CYS  39 -12.061   0.204 -20.911
  368   2HB   CYS  39          3HB       CYS  39 -10.855  -1.036 -20.630
  369    HA   PRO  40           HA       PRO  40 -12.929  -5.625 -19.478
  370   1HB   PRO  40          2HB       PRO  40 -14.369  -6.782 -21.493
  371   2HB   PRO  40          3HB       PRO  40 -15.082  -6.274 -19.974
  372   1HG   PRO  40          2HG       PRO  40 -15.262  -4.986 -22.629
  373   2HG   PRO  40          3HG       PRO  40 -16.283  -4.752 -21.223
  374   1HD   PRO  40          2HD       PRO  40 -14.224  -2.989 -22.159
  375   2HD   PRO  40          3HD       PRO  40 -15.166  -2.815 -20.692
  376    H    LYS  41           HN       LYS  41 -11.650  -3.822 -21.847
  377    HA   LYS  41           HA       LYS  41 -10.370  -6.082 -23.163
  378   1HB   LYS  41          2HB       LYS  41 -11.367  -3.796 -24.193
  379   2HB   LYS  41          3HB       LYS  41  -9.720  -3.273 -23.904
  380   1HG   LYS  41          2HG       LYS  41  -9.008  -5.503 -25.073
  381   2HG   LYS  41          3HG       LYS  41 -10.670  -5.595 -25.625
  382   1HD   LYS  41          2HD       LYS  41 -10.385  -3.922 -27.160
  383   2HD   LYS  41          3HD       LYS  41  -9.475  -2.921 -26.046
  384   1HE   LYS  41          2HE       LYS  41  -7.753  -3.433 -27.505
  385   2HE   LYS  41          3HE       LYS  41  -7.596  -4.817 -26.442
  386   1HZ   LYS  41          1HZ       LYS  41  -8.565  -6.179 -27.959
  387   2HZ   LYS  41          2HZ       LYS  41  -9.434  -5.001 -28.682
  388   3HZ   LYS  41          3HZ       LYS  41  -7.834  -5.130 -28.976
  389    H    LYS  42           HN       LYS  42  -9.899  -3.782 -20.591
  390    HA   LYS  42           HA       LYS  42  -7.174  -3.414 -20.645
  391   1HB   LYS  42          2HB       LYS  42  -9.284  -3.422 -18.528
  392   2HB   LYS  42          3HB       LYS  42  -7.610  -3.433 -18.011
  393   1HG   LYS  42          2HG       LYS  42  -7.239  -1.466 -19.658
  394   2HG   LYS  42          3HG       LYS  42  -8.984  -1.375 -19.790
  395   1HD   LYS  42          2HD       LYS  42  -9.246  -0.522 -17.661
  396   2HD   LYS  42          3HD       LYS  42  -7.948  -1.493 -16.993
  397   1HE   LYS  42          2HE       LYS  42  -6.254   0.018 -17.776
  398   2HE   LYS  42          3HE       LYS  42  -7.351   0.807 -18.894
  399   1HZ   LYS  42          1HZ       LYS  42  -7.784   2.228 -17.291
  400   2HZ   LYS  42          2HZ       LYS  42  -8.471   1.046 -16.398
  401   3HZ   LYS  42          3HZ       LYS  42  -6.889   1.401 -16.205
  402    HA   PRO  43           HA       PRO  43  -6.004  -7.618 -20.128
  403   1HB   PRO  43          2HB       PRO  43  -3.415  -7.322 -20.951
  404   2HB   PRO  43          3HB       PRO  43  -4.740  -7.646 -22.052
  405   1HG   PRO  43          2HG       PRO  43  -3.292  -5.111 -21.588
  406   2HG   PRO  43          3HG       PRO  43  -4.301  -5.566 -22.946
  407   1HD   PRO  43          2HD       PRO  43  -5.018  -3.822 -20.786
  408   2HD   PRO  43          3HD       PRO  43  -6.064  -4.370 -22.081
  409    H    ARG  44           HN       ARG  44  -4.108  -8.814 -19.012
  410    HA   ARG  44           HA       ARG  44  -3.230  -7.127 -16.828
  411   1HB   ARG  44          2HB       ARG  44  -3.707  -9.150 -15.272
  412   2HB   ARG  44          3HB       ARG  44  -5.091  -8.211 -15.794
  413   1HG   ARG  44          2HG       ARG  44  -5.575  -9.855 -17.585
  414   2HG   ARG  44          3HG       ARG  44  -4.137 -10.767 -17.171
  415   1HD   ARG  44          2HD       ARG  44  -5.158 -10.974 -14.782
  416   2HD   ARG  44          3HD       ARG  44  -6.654 -10.400 -15.493
  417    HE   ARG  44           HE       ARG  44  -6.951 -12.507 -16.447
  418   1HH1  ARG  44          2HH2      ARG  44  -3.533 -12.073 -15.732
  419   2HH1  ARG  44          1HH2      ARG  44  -3.101 -13.685 -16.195
  420   1HH2  ARG  44          2HH1      ARG  44  -6.381 -14.634 -17.059
  421   2HH2  ARG  44          1HH1      ARG  44  -4.732 -15.151 -16.956
  422    H    GLY  45           HN       GLY  45  -1.259  -7.949 -15.750
  423   1HA   GLY  45          1HA       GLY  45   0.157 -10.107 -15.825
  424   2HA   GLY  45          2HA       GLY  45   0.279  -9.715 -17.529
  425    HA   PRO  46           HA       PRO  46   2.138 -10.581 -17.180
  426   1HB   PRO  46          2HB       PRO  46   4.600 -11.301 -16.237
  427   2HB   PRO  46          3HB       PRO  46   4.358 -10.528 -17.791
  428   1HG   PRO  46          2HG       PRO  46   5.411  -9.365 -15.285
  429   2HG   PRO  46          3HG       PRO  46   5.554  -8.758 -16.924
  430   1HD   PRO  46          2HD       PRO  46   3.788  -7.787 -14.881
  431   2HD   PRO  46          3HD       PRO  46   3.851  -7.258 -16.551
  432    H    ARG  47           HN       ARG  47   2.448 -12.845 -16.267
  433    HA   ARG  47           HA       ARG  47   0.784 -13.014 -14.102
  434   1HB   ARG  47          2HB       ARG  47   1.763 -14.802 -15.890
  435   2HB   ARG  47          3HB       ARG  47   2.820 -15.197 -14.548
  436   1HG   ARG  47          2HG       ARG  47   0.294 -15.014 -13.337
  437   2HG   ARG  47          3HG       ARG  47  -0.061 -15.748 -14.888
  438   1HD   ARG  47          2HD       ARG  47   2.324 -17.005 -13.851
  439   2HD   ARG  47          3HD       ARG  47   1.134 -16.976 -12.564
  440    HE   ARG  47           HE       ARG  47  -0.346 -17.825 -14.738
  441   1HH1  ARG  47          2HH2      ARG  47   2.673 -18.917 -13.295
  442   2HH1  ARG  47          1HH2      ARG  47   2.456 -20.566 -13.778
  443   1HH2  ARG  47          2HH1      ARG  47  -0.632 -20.000 -15.375
  444   2HH2  ARG  47          1HH1      ARG  47   0.564 -21.186 -14.969
  445    H    GLY  48           HN       GLY  48   1.194 -13.660 -11.845
  446   1HA   GLY  48          1HA       GLY  48   3.644 -14.054 -10.657
  447   2HA   GLY  48          2HA       GLY  48   3.433 -12.314 -10.698
  448    HA   PRO  49           HA       PRO  49   0.922 -14.290  -7.289
  449   1HB   PRO  49          2HB       PRO  49   2.648 -14.309  -5.170
  450   2HB   PRO  49          3HB       PRO  49   2.321 -15.723  -6.153
  451   1HG   PRO  49          2HG       PRO  49   4.712 -13.985  -6.143
  452   2HG   PRO  49          3HG       PRO  49   4.536 -15.607  -6.784
  453   1HD   PRO  49          2HD       PRO  49   4.603 -13.165  -8.287
  454   2HD   PRO  49          3HD       PRO  49   4.311 -14.775  -8.915
  455    H    ARG  50           HN       ARG  50  -0.545 -12.818  -6.738
  456    HA   ARG  50           HA       ARG  50   0.335 -10.174  -6.417
  457   1HB   ARG  50          2HB       ARG  50  -2.267 -11.656  -6.309
  458   2HB   ARG  50          3HB       ARG  50  -2.227 -10.152  -5.409
  459   1HG   ARG  50          2HG       ARG  50  -1.190 -10.246  -8.261
  460   2HG   ARG  50          3HG       ARG  50  -2.910 -10.114  -7.956
  461   1HD   ARG  50          2HD       ARG  50  -2.679  -8.005  -6.849
  462   2HD   ARG  50          3HD       ARG  50  -0.963  -8.228  -6.580
  463    HE   ARG  50           HE       ARG  50  -2.249  -7.329  -9.075
  464   1HH1  ARG  50          2HH2      ARG  50   0.682  -8.572  -7.576
  465   2HH1  ARG  50          1HH2      ARG  50   1.723  -7.994  -8.833
  466   1HH2  ARG  50          2HH1      ARG  50  -0.876  -6.565 -10.734
  467   2HH2  ARG  50          1HH1      ARG  50   0.831  -6.845 -10.642
  468    HA   PRO  51           HA       PRO  51   1.189 -10.608  -2.117
  469   1HB   PRO  51          2HB       PRO  51   2.194  -8.102  -1.695
  470   2HB   PRO  51          3HB       PRO  51   3.163  -9.434  -2.293
  471   1HG   PRO  51          2HG       PRO  51   2.090  -7.112  -3.775
  472   2HG   PRO  51          3HG       PRO  51   3.383  -8.204  -4.231
  473   1HD   PRO  51          2HD       PRO  51   0.700  -8.202  -5.246
  474   2HD   PRO  51          3HD       PRO  51   1.959  -9.364  -5.614
  475    H    GLN  52           HN       GLN  52   0.743  -9.407   0.012
  476    HA   GLN  52           HA       GLN  52  -1.985  -9.139   0.139
  477   1HB   GLN  52          2HB       GLN  52  -1.617  -8.327   2.422
  478   2HB   GLN  52          3HB       GLN  52  -0.502  -9.633   2.075
  479   1HG   GLN  52          2HG       GLN  52   1.236  -7.859   1.445
  480   2HG   GLN  52          3HG       GLN  52   0.122  -6.646   2.045
  481   1HE2  GLN  52          1HE2      GLN  52   1.422  -5.975   3.692
  482   2HE2  GLN  52          2HE2      GLN  52   1.759  -6.909   5.111
  483    H    THR  53           HN       THR  53  -3.428  -7.445  -0.124
  484    HA   THR  53           HA       THR  53  -4.192  -5.459  -0.769
  485    HB   THR  53           HB       THR  53  -1.695  -4.596   0.775
  486    HG1  THR  53           HG1      THR  53  -3.526  -5.772   1.820
  487   1HG2  THR  53          1HG2      THR  53  -3.346  -2.503   1.073
  488   2HG2  THR  53          2HG2      THR  53  -2.204  -2.559  -0.292
  489   3HG2  THR  53          3HG2      THR  53  -3.910  -3.004  -0.539
  490    H    SER  54           HN       SER  54  -4.357  -4.936  -2.847
  491    HA   SER  54           HA       SER  54  -2.418  -5.366  -4.682
  492   1HB   SER  54          2HB       SER  54  -4.692  -3.335  -4.729
  493   2HB   SER  54          3HB       SER  54  -3.747  -3.760  -6.142
  494    HG   SER  54           HG       SER  54  -5.765  -5.207  -4.827
  495    H    LEU  55           HN       LEU  55  -1.297  -3.651  -6.128
  496    HA   LEU  55           HA       LEU  55  -0.054  -1.827  -6.418
  497   1HB   LEU  55          2HB       LEU  55  -1.957  -0.868  -4.693
  498   2HB   LEU  55          3HB       LEU  55  -0.478  -0.552  -3.808
  499    HG   LEU  55           HG       LEU  55  -1.179   1.372  -5.151
  500   1HD1  LEU  55          1HD1      LEU  55   1.360   0.209  -6.312
  501   2HD1  LEU  55          2HD1      LEU  55   0.941   1.922  -6.081
  502   3HD1  LEU  55          3HD1      LEU  55   1.239   0.881  -4.669
  503   1HD2  LEU  55          1HD2      LEU  55  -1.706  -0.587  -7.136
  504   2HD2  LEU  55          2HD2      LEU  55  -2.007   1.166  -7.195
  505   3HD2  LEU  55          3HD2      LEU  55  -0.459   0.509  -7.780
  506    H    LEU  56           HN       LEU  56   0.138  -2.222  -2.816
  507    HA   LEU  56           HA       LEU  56   1.804  -2.820  -1.498
  508   1HB   LEU  56          2HB       LEU  56   1.674  -4.793  -3.304
  509   2HB   LEU  56          3HB       LEU  56   3.307  -4.242  -3.629
  510    HG   LEU  56           HG       LEU  56   3.106  -6.145  -2.004
  511   1HD1  LEU  56          1HD1      LEU  56   4.703  -3.735  -1.791
  512   2HD1  LEU  56          2HD1      LEU  56   4.491  -4.515  -0.205
  513   3HD1  LEU  56          3HD1      LEU  56   5.166  -5.439  -1.568
  514   1HD2  LEU  56          1HD2      LEU  56   1.913  -6.052  -0.117
  515   2HD2  LEU  56          2HD2      LEU  56   2.477  -4.410   0.272
  516   3HD2  LEU  56          3HD2      LEU  56   1.113  -4.640  -0.849
  Start of MODEL    9
    1   1H5*    U 517          1H5*        U 517  -1.859   0.118 -29.695
    2   2H5*    U 517          2H5*        U 517  -1.611  -0.711 -31.231
    3    H4*    U 517           H4*        U 517  -2.738   1.851 -31.786
    4    H3*    U 517           H3*        U 517  -3.886   0.608 -29.356
    5    H2*    U 517           H2*        U 517  -6.117   0.702 -30.146
    6   2HO*    U 517          2HO*        U 517  -6.084   2.653 -31.202
    7    H1*    U 517           H1*        U 517  -5.604  -0.475 -32.577
    8    H3     U 517           H3         U 517  -7.190  -4.157 -30.577
    9    H5     U 517           H5         U 517  -3.705  -3.362 -28.395
   10    H6     U 517           H6         U 517  -3.449  -1.324 -29.735
   11   1H5*    U 518          1H5*        U 518  -3.486   5.623 -28.536
   12   2H5*    U 518          2H5*        U 518  -3.794   5.587 -26.800
   13    H4*    U 518           H4*        U 518  -5.734   6.137 -28.401
   14    H3*    U 518           H3*        U 518  -5.912   4.189 -26.107
   15    H2*    U 518           H2*        U 518  -8.167   3.840 -26.572
   16   2HO*    U 518          2HO*        U 518  -8.455   6.162 -26.651
   17    H1*    U 518           H1*        U 518  -7.652   4.305 -29.442
   18    H3     U 518           H3         U 518 -10.231   0.610 -29.763
   19    H5     U 518           H5         U 518  -6.856  -0.729 -27.676
   20    H6     U 518           H6         U 518  -6.101   1.602 -27.597
   21   1H5*    U 519          1H5*        U 519  -8.101   6.372 -24.449
   22   2H5*    U 519          2H5*        U 519  -7.783   8.064 -24.064
   23    H4*    U 519           H4*        U 519  -9.276   7.348 -22.419
   24    H3*    U 519           H3*        U 519  -6.460   7.457 -21.405
   25    H2*    U 519           H2*        U 519  -7.149   6.730 -19.256
   26   2HO*    U 519          2HO*        U 519  -9.844   6.519 -20.077
   27    H1*    U 519           H1*        U 519  -8.624   4.583 -20.169
   28    H3     U 519           H3         U 519  -4.582   3.154 -18.432
   29    H5     U 519           H5         U 519  -3.962   3.702 -22.537
   30    H6     U 519           H6         U 519  -6.160   4.785 -22.624
   31   1H5*    U 520          1H5*        U 520  -5.533  12.227 -21.776
   32   2H5*    U 520          2H5*        U 520  -6.562  12.832 -20.478
   33    H4*    U 520           H4*        U 520  -6.511  14.280 -22.492
   34    H3*    U 520           H3*        U 520  -9.150  13.124 -21.585
   35    H2*    U 520           H2*        U 520 -10.238  14.440 -23.190
   36   2HO*    U 520          2HO*        U 520  -7.679  15.749 -23.398
   37    H1*    U 520           H1*        U 520  -8.003  14.101 -25.042
   38    H3     U 520           H3         U 520 -10.419  11.825 -28.032
   39    H5     U 520           H5         U 520 -12.414  10.981 -24.448
   40    H6     U 520           H6         U 520 -10.686  12.283 -23.295
   41   1H5*    G 521          1H5*        G 521 -11.910  14.553 -20.671
   42   2H5*    G 521          2H5*        G 521 -11.328  15.545 -19.333
   43    H4*    G 521           H4*        G 521 -13.096  14.578 -18.302
   44    H3*    G 521           H3*        G 521 -10.842  12.612 -17.909
   45    H2*    G 521           H2*        G 521 -12.286  11.264 -16.616
   46   2HO*    G 521          2HO*        G 521 -14.006  13.566 -16.841
   47    H1*    G 521           H1*        G 521 -14.474  11.716 -18.427
   48    H8     G 521           H8         G 521 -10.949  10.235 -18.333
   49    H1     G 521           H1         G 521 -15.477   6.433 -20.965
   50   1H2     G 521          1H2         G 521 -17.263   7.460 -21.069
   51   2H2     G 521          2H2         G 521 -17.499   9.105 -20.523
   52   1H5*    C 522          1H5*        C 522  -9.574  14.483 -12.932
   53   2H5*    C 522          2H5*        C 522 -10.305  12.962 -12.420
   54    H4*    C 522           H4*        C 522 -10.823  14.738 -10.855
   55    H3*    C 522           H3*        C 522 -13.097  13.546 -12.407
   56    H2*    C 522           H2*        C 522 -14.649  14.909 -11.238
   57   2HO*    C 522          2HO*        C 522 -13.442  14.650  -9.259
   58    H1*    C 522           H1*        C 522 -13.040  17.229 -11.579
   59   1H4     C 522          1H4         C 522 -17.530  17.853 -16.060
   60   2H4     C 522          2H4         C 522 -16.784  16.577 -16.996
   61    H5     C 522           H5         C 522 -14.929  15.316 -16.259
   62    H6     C 522           H6         C 522 -13.316  14.965 -14.422
   63   1H5*    U 523          1H5*        U 523 -11.954   9.885 -10.369
   64   2H5*    U 523          2H5*        U 523 -13.548   9.217 -10.018
   65    H4*    U 523           H4*        U 523 -11.418   8.271  -8.840
   66    H3*    U 523           H3*        U 523 -14.141   8.694  -7.679
   67    H2*    U 523           H2*        U 523 -13.419   7.950  -5.543
   68   2HO*    U 523          2HO*        U 523 -12.052   6.317  -6.325
   69    H1*    U 523           H1*        U 523 -11.167   9.593  -5.504
   70    H3     U 523           H3         U 523 -13.648  11.962  -2.614
   71    H5     U 523           H5         U 523 -15.825  12.282  -6.177
   72    H6     U 523           H6         U 523 -14.204  10.748  -7.191
   73   1H    ALA   1           HN       ALA   1  12.525   8.173  -5.781
   74    HA   ALA   1           HA       ALA   1  11.321  10.199  -4.755
   75   1HB   ALA   1          1HB       ALA   1  11.186   8.890  -2.926
   76   2HB   ALA   1          2HB       ALA   1  12.349   7.808  -3.727
   77   3HB   ALA   1          3HB       ALA   1  12.928   9.053  -2.595
   78    H    THR   2           HN       THR   2  14.825   9.708  -3.890
   79    HA   THR   2           HA       THR   2  14.966  12.477  -3.041
   80    HB   THR   2           HB       THR   2  17.254  11.747  -2.312
   81    HG1  THR   2           HG1      THR   2  17.989  10.041  -3.512
   82   1HG2  THR   2          1HG2      THR   2  15.695   9.315  -1.572
   83   2HG2  THR   2          2HG2      THR   2  16.489  10.510  -0.519
   84   3HG2  THR   2          3HG2      THR   2  14.880  10.852  -1.197
   85    H    VAL   3           HN       VAL   3  14.557  13.595  -5.013
   86    HA   VAL   3           HA       VAL   3  16.947  13.644  -6.697
   87    HB   VAL   3           HB       VAL   3  15.445  13.912  -8.674
   88   1HG1  VAL   3          1HG1      VAL   3  15.078  11.230  -7.310
   89   2HG1  VAL   3          2HG1      VAL   3  15.194  11.571  -9.053
   90   3HG1  VAL   3          3HG1      VAL   3  16.624  11.769  -8.011
   91   1HG2  VAL   3          1HG2      VAL   3  13.416  14.341  -7.025
   92   2HG2  VAL   3          2HG2      VAL   3  13.170  13.582  -8.616
   93   3HG2  VAL   3          3HG2      VAL   3  13.239  12.574  -7.150
   94    H    VAL   4           HN       VAL   4  17.111  15.430  -4.904
   95    HA   VAL   4           HA       VAL   4  15.530  17.589  -4.695
   96    HB   VAL   4           HB       VAL   4  17.584  18.864  -4.215
   97   1HG1  VAL   4          1HG1      VAL   4  18.379  17.448  -2.366
   98   2HG1  VAL   4          2HG1      VAL   4  16.604  17.412  -2.500
   99   3HG1  VAL   4          3HG1      VAL   4  17.571  16.040  -3.095
  100   1HG2  VAL   4          1HG2      VAL   4  18.788  17.242  -6.091
  101   2HG2  VAL   4          2HG2      VAL   4  19.635  18.309  -4.946
  102   3HG2  VAL   4          3HG2      VAL   4  19.410  16.587  -4.557
  103    H    SER   5           HN       SER   5  15.091  19.507  -5.816
  104    HA   SER   5           HA       SER   5  14.874  20.844  -7.512
  105   1HB   SER   5          2HB       SER   5  17.639  20.137  -7.603
  106   2HB   SER   5          3HB       SER   5  17.075  20.112  -9.263
  107    HG   SER   5           HG       SER   5  17.420  22.279  -7.520
  108    H    GLY   6           HN       GLY   6  13.418  20.657  -9.197
  109   1HA   GLY   6          1HA       GLY   6  13.729  18.644 -11.228
  110   2HA   GLY   6          2HA       GLY   6  12.426  18.296 -10.109
  111    H    GLN   7           HN       GLN   7  12.753  19.367 -13.089
  112    HA   GLN   7           HA       GLN   7  11.039  21.693 -12.755
  113   1HB   GLN   7          2HB       GLN   7  13.051  20.844 -14.779
  114   2HB   GLN   7          3HB       GLN   7  11.616  21.600 -15.443
  115   1HG   GLN   7          2HG       GLN   7  12.484  23.619 -14.893
  116   2HG   GLN   7          3HG       GLN   7  12.296  23.198 -13.203
  117   1HE2  GLN   7          1HE2      GLN   7  14.286  24.872 -14.077
  118   2HE2  GLN   7          2HE2      GLN   7  15.840  24.135 -13.877
  119    H    LYS   8           HN       LYS   8   9.254  20.140 -12.142
  120    HA   LYS   8           HA       LYS   8   8.325  18.233 -13.969
  121   1HB   LYS   8          2HB       LYS   8   6.367  18.134 -12.567
  122   2HB   LYS   8          3HB       LYS   8   7.793  18.262 -11.558
  123   1HG   LYS   8          2HG       LYS   8   6.635  20.891 -12.316
  124   2HG   LYS   8          3HG       LYS   8   5.547  19.892 -11.373
  125   1HD   LYS   8          2HD       LYS   8   6.741  20.244  -9.471
  126   2HD   LYS   8          3HD       LYS   8   8.237  19.761 -10.246
  127   1HE   LYS   8          2HE       LYS   8   8.459  22.081  -9.511
  128   2HE   LYS   8          3HE       LYS   8   8.431  22.056 -11.263
  129   1HZ   LYS   8          1HZ       LYS   8   6.971  23.729 -10.453
  130   2HZ   LYS   8          2HZ       LYS   8   6.059  22.561 -11.138
  131   3HZ   LYS   8          3HZ       LYS   8   6.154  22.673  -9.512
  132    H    GLN   9           HN       GLN   9   6.647  18.295 -15.526
  133    HA   GLN   9           HA       GLN   9   5.940  21.016 -16.308
  134   1HB   GLN   9          2HB       GLN   9   7.106  18.781 -17.859
  135   2HB   GLN   9          3HB       GLN   9   5.705  19.499 -18.630
  136   1HG   GLN   9          2HG       GLN   9   7.236  21.011 -19.430
  137   2HG   GLN   9          3HG       GLN   9   7.003  21.779 -17.873
  138   1HE2  GLN   9          1HE2      GLN   9   9.255  22.402 -18.914
  139   2HE2  GLN   9          2HE2      GLN   9  10.615  21.553 -18.262
  140    H    ASP  10           HN       ASP  10   3.821  21.332 -15.762
  141    HA   ASP  10           HA       ASP  10   1.942  19.395 -16.749
  142   1HB   ASP  10          2HB       ASP  10   2.613  19.716 -13.908
  143   2HB   ASP  10          3HB       ASP  10   0.922  20.078 -14.194
  144    H    ARG  11           HN       ARG  11   0.160  20.538 -17.580
  145    HA   ARG  11           HA       ARG  11  -0.924  22.754 -16.370
  146   1HB   ARG  11          2HB       ARG  11   1.289  23.770 -17.229
  147   2HB   ARG  11          3HB       ARG  11   0.689  23.511 -18.853
  148   1HG   ARG  11          2HG       ARG  11  -0.485  25.444 -18.733
  149   2HG   ARG  11          3HG       ARG  11  -1.426  24.793 -17.404
  150   1HD   ARG  11          2HD       ARG  11  -0.273  26.001 -15.833
  151   2HD   ARG  11          3HD       ARG  11   1.280  25.657 -16.567
  152    HE   ARG  11           HE       ARG  11   0.004  27.431 -18.335
  153   1HH1  ARG  11          2HH2      ARG  11   1.034  27.479 -14.970
  154   2HH1  ARG  11          1HH2      ARG  11   1.295  29.191 -14.941
  155   1HH2  ARG  11          2HH1      ARG  11   0.348  29.690 -18.297
  156   2HH2  ARG  11          1HH1      ARG  11   0.903  30.457 -16.846
  157    H    GLN  12           HN       GLN  12  -2.957  23.198 -17.341
  158    HA   GLN  12           HA       GLN  12  -3.355  22.180 -20.018
  159   1HB   GLN  12          2HB       GLN  12  -5.386  20.940 -19.370
  160   2HB   GLN  12          3HB       GLN  12  -3.982  20.306 -18.534
  161   1HG   GLN  12          2HG       GLN  12  -5.446  22.502 -17.121
  162   2HG   GLN  12          3HG       GLN  12  -6.318  20.989 -17.276
  163   1HE2  GLN  12          1HE2      GLN  12  -6.239  20.399 -15.175
  164   2HE2  GLN  12          2HE2      GLN  12  -4.799  19.951 -14.324
  165    H    GLY  13           HN       GLY  13  -5.176  23.172 -21.124
  166   1HA   GLY  13          1HA       GLY  13  -7.063  24.848 -19.994
  167   2HA   GLY  13          2HA       GLY  13  -5.662  25.853 -20.312
  168    H    GLY  14           HN       GLY  14  -8.535  24.688 -21.624
  169   1HA   GLY  14          1HA       GLY  14  -8.358  25.921 -24.048
  170   2HA   GLY  14          2HA       GLY  14  -7.701  24.324 -24.350
  171    H    GLU  15           HN       GLU  15  -9.125  22.496 -23.065
  172    HA   GLU  15           HA       GLU  15 -10.992  21.393 -22.983
  173   1HB   GLU  15          2HB       GLU  15 -11.878  24.151 -22.371
  174   2HB   GLU  15          3HB       GLU  15 -13.162  23.133 -22.994
  175   1HG   GLU  15          2HG       GLU  15 -12.255  21.350 -21.265
  176   2HG   GLU  15          3HG       GLU  15 -11.472  22.723 -20.509
  177    H    ARG  16           HN       ARG  16 -12.694  20.523 -24.369
  178    HA   ARG  16           HA       ARG  16 -13.665  21.824 -26.570
  179   1HB   ARG  16          2HB       ARG  16 -12.373  20.774 -28.427
  180   2HB   ARG  16          3HB       ARG  16 -11.346  21.802 -27.447
  181   1HG   ARG  16          2HG       ARG  16 -11.114  19.358 -26.140
  182   2HG   ARG  16          3HG       ARG  16 -11.272  18.855 -27.811
  183   1HD   ARG  16          2HD       ARG  16  -9.098  19.403 -28.164
  184   2HD   ARG  16          3HD       ARG  16  -9.477  21.081 -27.829
  185    HE   ARG  16           HE       ARG  16  -9.272  20.055 -25.298
  186   1HH1  ARG  16          2HH2      ARG  16  -7.175  19.801 -28.112
  187   2HH1  ARG  16          1HH2      ARG  16  -5.725  19.643 -27.178
  188   1HH2  ARG  16          2HH1      ARG  16  -7.359  19.848 -24.064
  189   2HH2  ARG  16          1HH1      ARG  16  -5.831  19.670 -24.859
  190    H    ARG  17           HN       ARG  17 -14.906  20.281 -28.023
  191    HA   ARG  17           HA       ARG  17 -16.214  18.408 -26.578
  192   1HB   ARG  17          2HB       ARG  17 -15.827  18.820 -29.561
  193   2HB   ARG  17          3HB       ARG  17 -16.762  17.448 -29.000
  194   1HG   ARG  17          2HG       ARG  17 -18.472  18.782 -28.122
  195   2HG   ARG  17          3HG       ARG  17 -17.408  20.137 -27.806
  196   1HD   ARG  17          2HD       ARG  17 -17.194  20.365 -30.392
  197   2HD   ARG  17          3HD       ARG  17 -18.550  19.260 -30.492
  198    HE   ARG  17           HE       ARG  17 -18.626  22.049 -29.561
  199   1HH1  ARG  17          2HH2      ARG  17 -20.296  18.952 -29.614
  200   2HH1  ARG  17          1HH2      ARG  17 -21.854  19.642 -29.300
  201   1HH2  ARG  17          2HH1      ARG  17 -20.680  22.959 -29.146
  202   2HH2  ARG  17          1HH1      ARG  17 -22.073  21.937 -29.033
  203    H    ARG  18           HN       ARG  18 -15.723  16.342 -25.882
  204    HA   ARG  18           HA       ARG  18 -13.242  15.241 -26.752
  205   1HB   ARG  18          2HB       ARG  18 -15.329  14.151 -24.796
  206   2HB   ARG  18          3HB       ARG  18 -13.717  13.498 -25.010
  207   1HG   ARG  18          2HG       ARG  18 -12.817  15.066 -23.638
  208   2HG   ARG  18          3HG       ARG  18 -13.546  16.371 -24.553
  209   1HD   ARG  18          2HD       ARG  18 -15.211  14.721 -22.614
  210   2HD   ARG  18          3HD       ARG  18 -14.244  16.065 -22.042
  211    HE   ARG  18           HE       ARG  18 -16.671  16.228 -23.695
  212   1HH1  ARG  18          2HH2      ARG  18 -13.796  17.917 -22.571
  213   2HH1  ARG  18          1HH2      ARG  18 -14.452  19.493 -22.865
  214   1HH2  ARG  18          2HH1      ARG  18 -17.536  18.307 -24.084
  215   2HH2  ARG  18          1HH1      ARG  18 -16.593  19.716 -23.732
  216    H    SER  19           HN       SER  19 -14.211  15.045 -29.068
  217    HA   SER  19           HA       SER  19 -15.271  13.954 -30.657
  218   1HB   SER  19          2HB       SER  19 -13.218  12.465 -29.650
  219   2HB   SER  19          3HB       SER  19 -14.524  11.308 -29.477
  220    HG   SER  19           HG       SER  19 -15.023  11.742 -31.797
  221    H    GLN  20           HN       GLN  20 -16.214  11.052 -30.415
  222    HA   GLN  20           HA       GLN  20 -18.813  11.740 -29.401
  223   1HB   GLN  20          2HB       GLN  20 -18.290  10.505 -31.630
  224   2HB   GLN  20          3HB       GLN  20 -18.005   9.087 -30.642
  225   1HG   GLN  20          2HG       GLN  20 -20.265   9.047 -29.837
  226   2HG   GLN  20          3HG       GLN  20 -20.571  10.693 -30.353
  227   1HE2  GLN  20          1HE2      GLN  20 -22.449   9.697 -31.347
  228   2HE2  GLN  20          2HE2      GLN  20 -22.331   9.015 -32.935
  229    H    LEU  21           HN       LEU  21 -16.916  11.653 -27.333
  230    HA   LEU  21           HA       LEU  21 -17.219   9.026 -26.112
  231   1HB   LEU  21          2HB       LEU  21 -15.003  10.017 -26.166
  232   2HB   LEU  21          3HB       LEU  21 -15.588  11.449 -25.341
  233    HG   LEU  21           HG       LEU  21 -14.312   9.530 -24.057
  234   1HD1  LEU  21          1HD1      LEU  21 -16.477  10.278 -22.305
  235   2HD1  LEU  21          2HD1      LEU  21 -14.786  10.832 -22.325
  236   3HD1  LEU  21          3HD1      LEU  21 -16.004  11.655 -23.329
  237   1HD2  LEU  21          1HD2      LEU  21 -15.664   7.850 -23.071
  238   2HD2  LEU  21          2HD2      LEU  21 -17.159   8.569 -23.716
  239   3HD2  LEU  21          3HD2      LEU  21 -15.991   7.804 -24.821
  240    H    ASP  22           HN       ASP  22 -19.096   8.674 -25.052
  241    HA   ASP  22           HA       ASP  22 -20.583  10.890 -24.085
  242   1HB   ASP  22          2HB       ASP  22 -21.123   8.232 -24.837
  243   2HB   ASP  22          3HB       ASP  22 -21.387   8.224 -23.105
  244    H    ARG  23           HN       ARG  23 -21.256  11.089 -21.747
  245    HA   ARG  23           HA       ARG  23 -19.075  10.886 -20.061
  246   1HB   ARG  23          2HB       ARG  23 -21.002  12.511 -19.831
  247   2HB   ARG  23          3HB       ARG  23 -22.028  11.190 -19.311
  248   1HG   ARG  23          2HG       ARG  23 -21.101  12.487 -17.381
  249   2HG   ARG  23          3HG       ARG  23 -20.636  10.799 -17.331
  250   1HD   ARG  23          2HD       ARG  23 -18.402  11.253 -17.711
  251   2HD   ARG  23          3HD       ARG  23 -18.745  12.565 -18.821
  252    HE   ARG  23           HE       ARG  23 -19.565  13.656 -16.458
  253   1HH1  ARG  23          2HH2      ARG  23 -16.623  11.931 -17.322
  254   2HH1  ARG  23          1HH2      ARG  23 -15.642  12.762 -16.160
  255   1HH2  ARG  23          2HH1      ARG  23 -18.272  14.753 -14.926
  256   2HH2  ARG  23          1HH1      ARG  23 -16.587  14.377 -14.787
  257    H    ASP  24           HN       ASP  24 -21.244   8.490 -21.160
  258    HA   ASP  24           HA       ASP  24 -20.573   6.841 -18.851
  259   1HB   ASP  24          2HB       ASP  24 -23.138   7.593 -19.576
  260   2HB   ASP  24          3HB       ASP  24 -22.975   6.081 -20.447
  261    H    GLN  25           HN       GLN  25 -19.116   7.274 -21.408
  262    HA   GLN  25           HA       GLN  25 -19.575   4.674 -22.653
  263   1HB   GLN  25          2HB       GLN  25 -19.540   7.209 -23.848
  264   2HB   GLN  25          3HB       GLN  25 -17.946   6.574 -24.206
  265   1HG   GLN  25          2HG       GLN  25 -19.045   4.443 -25.046
  266   2HG   GLN  25          3HG       GLN  25 -20.608   5.198 -24.802
  267   1HE2  GLN  25          1HE2      GLN  25 -19.995   4.320 -27.249
  268   2HE2  GLN  25          2HE2      GLN  25 -19.692   5.618 -28.355
  269    H    CYS  26           HN       CYS  26 -17.309   4.059 -23.914
  270    HA   CYS  26           HA       CYS  26 -15.302   4.197 -21.787
  271   1HB   CYS  26          2HB       CYS  26 -16.064   1.929 -22.171
  272   2HB   CYS  26          3HB       CYS  26 -15.790   2.070 -23.896
  273    H    ALA  27           HN       ALA  27 -13.339   5.175 -22.274
  274    HA   ALA  27           HA       ALA  27 -13.044   6.130 -25.025
  275   1HB   ALA  27          1HB       ALA  27 -12.344   8.051 -24.084
  276   2HB   ALA  27          2HB       ALA  27 -12.839   7.377 -22.512
  277   3HB   ALA  27          3HB       ALA  27 -11.159   7.193 -23.071
  278    H    TYR  28           HN       TYR  28 -12.557   3.342 -24.419
  279    HA   TYR  28           HA       TYR  28  -9.659   3.302 -24.895
  280   1HB   TYR  28          2HB       TYR  28 -10.760   2.516 -22.558
  281   2HB   TYR  28          3HB       TYR  28 -11.262   1.114 -23.480
  282    HD1  TYR  28           HD1      TYR  28  -8.248   3.063 -22.460
  283    HD2  TYR  28           HD2      TYR  28  -9.775  -0.683 -23.853
  284    HE1  TYR  28           HE1      TYR  28  -5.980   1.983 -22.064
  285    HE2  TYR  28           HE2      TYR  28  -7.502  -1.750 -23.452
  286    HH   TYR  28           HH       TYR  28  -4.794  -0.186 -23.223
  287    H    CYS  29           HN       CYS  29 -12.761   1.422 -25.093
  288    HA   CYS  29           HA       CYS  29 -11.683   0.203 -27.524
  289   1HB   CYS  29          2HB       CYS  29 -13.339  -1.583 -27.181
  290   2HB   CYS  29          3HB       CYS  29 -12.253  -1.433 -25.815
  291    H    LYS  30           HN       LYS  30 -14.054   2.366 -26.105
  292    HA   LYS  30           HA       LYS  30 -15.303   3.877 -27.229
  293   1HB   LYS  30          2HB       LYS  30 -15.296   2.187 -29.727
  294   2HB   LYS  30          3HB       LYS  30 -15.593   3.907 -29.567
  295   1HG   LYS  30          2HG       LYS  30 -13.000   3.403 -28.439
  296   2HG   LYS  30          3HG       LYS  30 -13.068   2.536 -29.961
  297   1HD   LYS  30          2HD       LYS  30 -12.625   4.510 -30.991
  298   2HD   LYS  30          3HD       LYS  30 -14.258   4.999 -30.583
  299   1HE   LYS  30          2HE       LYS  30 -13.562   6.188 -28.643
  300   2HE   LYS  30          3HE       LYS  30 -12.044   5.316 -28.532
  301   1HZ   LYS  30          1HZ       LYS  30 -12.097   7.672 -29.506
  302   2HZ   LYS  30          2HZ       LYS  30 -11.141   6.549 -30.206
  303   3HZ   LYS  30          3HZ       LYS  30 -12.571   6.942 -30.888
  304    H    GLU  31           HN       GLU  31 -15.947   1.378 -25.682
  305    HA   GLU  31           HA       GLU  31 -18.507   0.700 -26.848
  306   1HB   GLU  31          2HB       GLU  31 -16.893  -1.065 -25.957
  307   2HB   GLU  31          3HB       GLU  31 -17.204  -0.452 -24.346
  308   1HG   GLU  31          2HG       GLU  31 -19.730  -0.888 -25.740
  309   2HG   GLU  31          3HG       GLU  31 -18.757  -2.343 -25.812
  310    H    LYS  32           HN       LYS  32 -20.491   1.272 -25.928
  311    HA   LYS  32           HA       LYS  32 -20.305   3.264 -23.811
  312   1HB   LYS  32          2HB       LYS  32 -22.347   4.100 -24.575
  313   2HB   LYS  32          3HB       LYS  32 -21.502   3.649 -26.042
  314   1HG   LYS  32          2HG       LYS  32 -22.736   1.320 -25.715
  315   2HG   LYS  32          3HG       LYS  32 -23.814   2.239 -24.682
  316   1HD   LYS  32          2HD       LYS  32 -24.526   3.654 -26.467
  317   2HD   LYS  32          3HD       LYS  32 -23.141   3.253 -27.464
  318   1HE   LYS  32          2HE       LYS  32 -24.479   0.779 -26.910
  319   2HE   LYS  32          3HE       LYS  32 -25.729   1.933 -27.331
  320   1HZ   LYS  32          1HZ       LYS  32 -23.947   2.480 -29.180
  321   2HZ   LYS  32          2HZ       LYS  32 -23.588   0.903 -28.952
  322   3HZ   LYS  32          3HZ       LYS  32 -25.101   1.342 -29.380
  323    H    GLY  33           HN       GLY  33 -20.932   2.878 -21.742
  324   1HA   GLY  33          1HA       GLY  33 -22.821   1.712 -20.510
  325   2HA   GLY  33          2HA       GLY  33 -22.163   0.248 -21.212
  326    H    HIS  34           HN       HIS  34 -19.364   0.779 -21.081
  327    HA   HIS  34           HA       HIS  34 -19.009   0.942 -18.176
  328   1HB   HIS  34          2HB       HIS  34 -17.309  -0.720 -18.312
  329   2HB   HIS  34          3HB       HIS  34 -18.730  -1.336 -19.131
  330    HD1  HIS  34           HD1      HIS  34 -18.512  -1.952 -21.601
  331    HD2  HIS  34           HD2      HIS  34 -15.146   0.042 -20.090
  332    HE1  HIS  34           HE1      HIS  34 -16.712  -2.125 -23.402
  333    H    TRP  35           HN       TRP  35 -16.858   1.776 -17.465
  334    HA   TRP  35           HA       TRP  35 -16.078   3.962 -19.217
  335   1HB   TRP  35          2HB       TRP  35 -16.020   3.417 -16.314
  336   2HB   TRP  35          3HB       TRP  35 -14.644   4.304 -16.941
  337    HD1  TRP  35           HD1      TRP  35 -18.467   4.671 -17.742
  338    HE1  TRP  35           HE1      TRP  35 -19.212   7.193 -17.513
  339    HE3  TRP  35           HE3      TRP  35 -13.923   6.429 -16.287
  340    HZ2  TRP  35           HZ2      TRP  35 -17.848   9.585 -16.766
  341    HZ3  TRP  35           HZ3      TRP  35 -13.715   8.870 -15.827
  342    HH2  TRP  35           HH2      TRP  35 -15.583  10.430 -16.046
  343    H    ALA  36           HN       ALA  36 -13.672   4.403 -19.440
  344    HA   ALA  36           HA       ALA  36 -12.384   2.170 -20.492
  345   1HB   ALA  36          1HB       ALA  36 -11.874   4.392 -21.268
  346   2HB   ALA  36          2HB       ALA  36 -11.400   4.917 -19.634
  347   3HB   ALA  36          3HB       ALA  36 -10.397   3.742 -20.518
  348    H    LYS  37           HN       LYS  37 -12.392   3.652 -17.243
  349    HA   LYS  37           HA       LYS  37 -10.123   2.259 -16.304
  350   1HB   LYS  37          2HB       LYS  37 -12.395   3.756 -15.004
  351   2HB   LYS  37          3HB       LYS  37 -11.231   2.875 -14.035
  352   1HG   LYS  37          2HG       LYS  37 -10.161   4.938 -14.146
  353   2HG   LYS  37          3HG       LYS  37  -9.447   4.165 -15.546
  354   1HD   LYS  37          2HD       LYS  37 -10.493   5.575 -17.016
  355   2HD   LYS  37          3HD       LYS  37 -12.023   5.481 -16.166
  356   1HE   LYS  37          2HE       LYS  37 -11.645   7.554 -15.329
  357   2HE   LYS  37          3HE       LYS  37 -10.293   6.911 -14.419
  358   1HZ   LYS  37          1HZ       LYS  37  -8.825   7.595 -15.988
  359   2HZ   LYS  37          2HZ       LYS  37  -9.888   7.529 -17.226
  360   3HZ   LYS  37          3HZ       LYS  37  -9.949   8.766 -16.162
  361    H    ASP  38           HN       ASP  38 -13.182   1.180 -17.302
  362    HA   ASP  38           HA       ASP  38 -12.805  -1.215 -15.687
  363   1HB   ASP  38          2HB       ASP  38 -14.942   0.491 -15.406
  364   2HB   ASP  38          3HB       ASP  38 -15.564  -0.572 -16.652
  365    H    CYS  39           HN       CYS  39 -11.976  -0.289 -18.495
  366    HA   CYS  39           HA       CYS  39 -13.671  -1.496 -20.372
  367   1HB   CYS  39          2HB       CYS  39 -11.967   0.258 -20.887
  368   2HB   CYS  39          3HB       CYS  39 -10.700  -0.924 -20.623
  369    HA   PRO  40           HA       PRO  40 -12.504  -5.638 -19.568
  370   1HB   PRO  40          2HB       PRO  40 -13.847  -6.850 -21.618
  371   2HB   PRO  40          3HB       PRO  40 -14.607  -6.411 -20.101
  372   1HG   PRO  40          2HG       PRO  40 -14.836  -5.095 -22.737
  373   2HG   PRO  40          3HG       PRO  40 -15.886  -4.947 -21.341
  374   1HD   PRO  40          2HD       PRO  40 -13.928  -3.046 -22.226
  375   2HD   PRO  40          3HD       PRO  40 -14.895  -2.953 -20.768
  376    H    LYS  41           HN       LYS  41 -11.317  -3.725 -21.902
  377    HA   LYS  41           HA       LYS  41  -9.894  -5.874 -23.247
  378   1HB   LYS  41          2HB       LYS  41 -10.912  -4.071 -24.584
  379   2HB   LYS  41          3HB       LYS  41  -9.932  -2.883 -23.749
  380   1HG   LYS  41          2HG       LYS  41  -7.881  -3.784 -24.652
  381   2HG   LYS  41          3HG       LYS  41  -8.673  -5.249 -25.197
  382   1HD   LYS  41          2HD       LYS  41 -10.020  -3.915 -26.830
  383   2HD   LYS  41          3HD       LYS  41  -9.236  -2.447 -26.282
  384   1HE   LYS  41          2HE       LYS  41  -7.841  -2.916 -28.069
  385   2HE   LYS  41          3HE       LYS  41  -7.004  -3.856 -26.849
  386   1HZ   LYS  41          1HZ       LYS  41  -9.098  -4.960 -28.588
  387   2HZ   LYS  41          2HZ       LYS  41  -7.499  -5.077 -28.901
  388   3HZ   LYS  41          3HZ       LYS  41  -8.126  -5.795 -27.575
  389    H    LYS  42           HN       LYS  42  -9.579  -3.649 -20.593
  390    HA   LYS  42           HA       LYS  42  -6.837  -3.208 -20.626
  391   1HB   LYS  42          2HB       LYS  42  -8.978  -3.195 -18.523
  392   2HB   LYS  42          3HB       LYS  42  -7.301  -3.085 -18.028
  393   1HG   LYS  42          2HG       LYS  42  -7.043  -1.183 -19.751
  394   2HG   LYS  42          3HG       LYS  42  -8.787  -1.212 -19.922
  395   1HD   LYS  42          2HD       LYS  42  -9.112  -0.130 -17.940
  396   2HD   LYS  42          3HD       LYS  42  -7.973  -1.156 -17.092
  397   1HE   LYS  42          2HE       LYS  42  -6.095   0.193 -17.738
  398   2HE   LYS  42          3HE       LYS  42  -7.000   1.003 -19.001
  399   1HZ   LYS  42          1HZ       LYS  42  -7.450   2.533 -17.502
  400   2HZ   LYS  42          2HZ       LYS  42  -8.385   1.464 -16.694
  401   3HZ   LYS  42          3HZ       LYS  42  -6.819   1.657 -16.277
  402    HA   PRO  43           HA       PRO  43  -5.644  -7.372 -19.923
  403   1HB   PRO  43          2HB       PRO  43  -3.012  -7.061 -20.587
  404   2HB   PRO  43          3HB       PRO  43  -4.260  -7.420 -21.762
  405   1HG   PRO  43          2HG       PRO  43  -2.872  -4.859 -21.256
  406   2HG   PRO  43          3HG       PRO  43  -3.789  -5.352 -22.667
  407   1HD   PRO  43          2HD       PRO  43  -4.659  -3.578 -20.588
  408   2HD   PRO  43          3HD       PRO  43  -5.614  -4.161 -21.936
  409    H    ARG  44           HN       ARG  44  -3.583  -4.717 -18.841
  410    HA   ARG  44           HA       ARG  44  -3.355  -6.222 -16.357
  411   1HB   ARG  44          2HB       ARG  44  -1.131  -5.174 -16.039
  412   2HB   ARG  44          3HB       ARG  44  -1.181  -6.041 -17.562
  413   1HG   ARG  44          2HG       ARG  44  -2.103  -3.445 -18.207
  414   2HG   ARG  44          3HG       ARG  44  -0.796  -3.170 -17.072
  415   1HD   ARG  44          2HD       ARG  44   0.812  -3.910 -18.541
  416   2HD   ARG  44          3HD       ARG  44  -0.173  -5.244 -19.106
  417    HE   ARG  44           HE       ARG  44  -1.308  -2.778 -20.049
  418   1HH1  ARG  44          2HH2      ARG  44   1.460  -4.885 -20.582
  419   2HH1  ARG  44          1HH2      ARG  44   1.668  -4.407 -22.234
  420   1HH2  ARG  44          2HH1      ARG  44  -1.034  -2.147 -22.227
  421   2HH2  ARG  44          1HH1      ARG  44   0.240  -2.838 -23.175
  422    H    GLY  45           HN       GLY  45  -3.032  -4.775 -14.370
  423   1HA   GLY  45          1HA       GLY  45  -3.510  -2.011 -14.438
  424   2HA   GLY  45          2HA       GLY  45  -5.045  -2.826 -14.222
  425    HA   PRO  46           HA       PRO  46  -5.294  -1.144 -13.016
  426   1HB   PRO  46          2HB       PRO  46  -5.060   0.874 -11.188
  427   2HB   PRO  46          3HB       PRO  46  -6.291  -0.369 -11.091
  428   1HG   PRO  46          2HG       PRO  46  -3.828  -0.070  -9.485
  429   2HG   PRO  46          3HG       PRO  46  -5.255  -1.026  -9.138
  430   1HD   PRO  46          2HD       PRO  46  -2.731  -1.994 -10.097
  431   2HD   PRO  46          3HD       PRO  46  -4.192  -2.932  -9.861
  432    H    ARG  47           HN       ARG  47  -2.111  -0.552 -11.713
  433    HA   ARG  47           HA       ARG  47  -0.413   0.521 -12.507
  434   1HB   ARG  47          2HB       ARG  47  -1.013  -0.780 -14.635
  435   2HB   ARG  47          3HB       ARG  47  -1.842   0.654 -15.209
  436   1HG   ARG  47          2HG       ARG  47   0.142   1.869 -15.494
  437   2HG   ARG  47          3HG       ARG  47   0.999   0.975 -14.253
  438   1HD   ARG  47          2HD       ARG  47   0.880  -1.074 -15.822
  439   2HD   ARG  47          3HD       ARG  47   0.310   0.017 -17.068
  440    HE   ARG  47           HE       ARG  47   2.611   1.250 -16.081
  441   1HH1  ARG  47          2HH2      ARG  47   1.866  -1.889 -17.484
  442   2HH1  ARG  47          1HH2      ARG  47   3.445  -2.103 -18.163
  443   1HH2  ARG  47          2HH1      ARG  47   4.695   0.968 -16.976
  444   2HH2  ARG  47          1HH1      ARG  47   5.065  -0.467 -17.871
  445    H    GLY  48           HN       GLY  48  -0.581   2.477 -11.340
  446   1HA   GLY  48          1HA       GLY  48  -2.147   4.638 -12.605
  447   2HA   GLY  48          2HA       GLY  48  -1.757   4.516 -10.901
  448    HA   PRO  49           HA       PRO  49   2.003   6.044 -13.403
  449   1HB   PRO  49          2HB       PRO  49   1.401   7.555 -15.599
  450   2HB   PRO  49          3HB       PRO  49   1.848   5.863 -15.693
  451   1HG   PRO  49          2HG       PRO  49  -0.824   7.094 -15.987
  452   2HG   PRO  49          3HG       PRO  49  -0.287   5.502 -16.488
  453   1HD   PRO  49          2HD       PRO  49  -1.892   6.129 -14.195
  454   2HD   PRO  49          3HD       PRO  49  -1.258   4.555 -14.632
  455    H    ARG  50           HN       ARG  50   2.499   7.265 -11.653
  456    HA   ARG  50           HA       ARG  50   1.408   9.952 -11.883
  457   1HB   ARG  50          2HB       ARG  50   1.497   8.098  -9.510
  458   2HB   ARG  50          3HB       ARG  50   1.805   9.794  -9.195
  459   1HG   ARG  50          2HG       ARG  50  -0.352  10.452  -9.790
  460   2HG   ARG  50          3HG       ARG  50  -0.551   9.154 -10.949
  461   1HD   ARG  50          2HD       ARG  50  -1.844   8.166  -9.342
  462   2HD   ARG  50          3HD       ARG  50  -0.325   7.723  -8.590
  463    HE   ARG  50           HE       ARG  50  -2.157   9.859  -7.719
  464   1HH1  ARG  50          2HH2      ARG  50   1.072   8.485  -7.458
  465   2HH1  ARG  50          1HH2      ARG  50   1.406   9.236  -5.933
  466   1HH2  ARG  50          2HH1      ARG  50  -1.717  10.849  -5.706
  467   2HH2  ARG  50          1HH1      ARG  50  -0.191  10.589  -4.930
  468    HA   PRO  51           HA       PRO  51   5.865  10.355 -11.801
  469   1HB   PRO  51          2HB       PRO  51   6.008  12.597 -13.357
  470   2HB   PRO  51          3HB       PRO  51   6.057  10.972 -14.011
  471   1HG   PRO  51          2HG       PRO  51   3.835  12.920 -14.054
  472   2HG   PRO  51          3HG       PRO  51   4.061  11.492 -15.043
  473   1HD   PRO  51          2HD       PRO  51   2.286  11.766 -12.807
  474   2HD   PRO  51          3HD       PRO  51   2.598  10.306 -13.724
  475    H    GLN  52           HN       GLN  52   5.439  10.661  -9.472
  476    HA   GLN  52           HA       GLN  52   5.713  11.846  -7.675
  477   1HB   GLN  52          2HB       GLN  52   6.952  13.841  -9.611
  478   2HB   GLN  52          3HB       GLN  52   6.934  14.105  -7.878
  479   1HG   GLN  52          2HG       GLN  52   8.686  12.695  -7.578
  480   2HG   GLN  52          3HG       GLN  52   7.851  11.400  -8.412
  481   1HE2  GLN  52          1HE2      GLN  52  10.192  13.909  -8.595
  482   2HE2  GLN  52          2HE2      GLN  52  10.775  13.622 -10.201
  483    H    THR  53           HN       THR  53   4.868  13.773  -6.406
  484    HA   THR  53           HA       THR  53   3.106  15.603  -7.655
  485    HB   THR  53           HB       THR  53   1.808  13.414  -7.868
  486    HG1  THR  53           HG1      THR  53   1.001  15.573  -6.055
  487   1HG2  THR  53          1HG2      THR  53   2.635  12.988  -5.214
  488   2HG2  THR  53          2HG2      THR  53   0.956  13.553  -5.041
  489   3HG2  THR  53          3HG2      THR  53   1.316  12.122  -6.036
  490    H    SER  54           HN       SER  54   2.644  17.306  -6.316
  491    HA   SER  54           HA       SER  54   2.606  17.061  -3.549
  492   1HB   SER  54          2HB       SER  54   5.154  16.815  -4.197
  493   2HB   SER  54          3HB       SER  54   5.086  18.547  -4.456
  494    HG   SER  54           HG       SER  54   3.887  18.157  -2.101
  495    H    LEU  55           HN       LEU  55   3.777  19.336  -6.144
  496    HA   LEU  55           HA       LEU  55   3.156  21.378  -6.707
  497   1HB   LEU  55          2HB       LEU  55   0.925  19.990  -6.768
  498   2HB   LEU  55          3HB       LEU  55   0.477  21.025  -5.425
  499    HG   LEU  55           HG       LEU  55   1.338  22.015  -8.158
  500   1HD1  LEU  55          1HD1      LEU  55  -1.046  20.774  -7.540
  501   2HD1  LEU  55          2HD1      LEU  55  -1.432  22.502  -7.350
  502   3HD1  LEU  55          3HD1      LEU  55  -0.768  21.902  -8.888
  503   1HD2  LEU  55          1HD2      LEU  55  -0.074  24.031  -6.905
  504   2HD2  LEU  55          2HD2      LEU  55   0.912  23.346  -5.590
  505   3HD2  LEU  55          3HD2      LEU  55   1.695  23.932  -7.078
  506    H    LEU  56           HN       LEU  56   4.290  22.945  -5.692
  507    HA   LEU  56           HA       LEU  56   3.434  23.601  -2.958
  508   1HB   LEU  56          2HB       LEU  56   6.014  22.845  -3.977
  509   2HB   LEU  56          3HB       LEU  56   6.080  24.489  -3.374
  510    HG   LEU  56           HG       LEU  56   4.909  22.249  -1.724
  511   1HD1  LEU  56          1HD1      LEU  56   6.921  21.281  -1.686
  512   2HD1  LEU  56          2HD1      LEU  56   7.713  22.683  -2.445
  513   3HD1  LEU  56          3HD1      LEU  56   7.428  22.666  -0.689
  514   1HD2  LEU  56          1HD2      LEU  56   4.315  24.218  -0.695
  515   2HD2  LEU  56          2HD2      LEU  56   5.874  23.875   0.093
  516   3HD2  LEU  56          3HD2      LEU  56   5.786  25.071  -1.223
  Start of MODEL   10
    1   1H5*    U 517          1H5*        U 517  -1.074   3.014 -30.654
    2   2H5*    U 517          2H5*        U 517  -2.375   3.672 -29.662
    3    H4*    U 517           H4*        U 517  -2.681   1.564 -31.277
    4    H3*    U 517           H3*        U 517  -4.088   2.330 -28.758
    5    H2*    U 517           H2*        U 517  -5.295   0.286 -28.706
    6   2HO*    U 517          2HO*        U 517  -3.941  -0.226 -31.197
    7    H1*    U 517           H1*        U 517  -3.053  -1.311 -29.068
    8    H3     U 517           H3         U 517  -3.419  -2.057 -24.671
    9    H5     U 517           H5         U 517  -2.763   2.076 -24.834
   10    H6     U 517           H6         U 517  -2.817   1.888 -27.278
   11   1H5*    U 518          1H5*        U 518  -5.021   6.462 -30.221
   12   2H5*    U 518          2H5*        U 518  -4.462   6.368 -28.550
   13    H4*    U 518           H4*        U 518  -6.975   6.623 -28.982
   14    H3*    U 518           H3*        U 518  -5.810   4.563 -27.105
   15    H2*    U 518           H2*        U 518  -7.970   3.945 -26.479
   16   2HO*    U 518          2HO*        U 518  -8.703   6.424 -27.755
   17    H1*    U 518           H1*        U 518  -8.950   4.600 -29.183
   18    H3     U 518           H3         U 518 -10.597   0.503 -29.787
   19    H5     U 518           H5         U 518  -7.237  -0.251 -27.404
   20    H6     U 518           H6         U 518  -6.784   2.158 -27.453
   21   1H5*    U 519          1H5*        U 519  -8.524   6.952 -24.600
   22   2H5*    U 519          2H5*        U 519  -7.320   8.010 -23.866
   23    H4*    U 519           H4*        U 519  -9.376   7.135 -22.493
   24    H3*    U 519           H3*        U 519  -6.552   7.509 -21.535
   25    H2*    U 519           H2*        U 519  -7.200   6.831 -19.352
   26   2HO*    U 519          2HO*        U 519  -9.850   6.637 -20.453
   27    H1*    U 519           H1*        U 519  -8.548   4.558 -20.241
   28    H3     U 519           H3         U 519  -4.570   3.450 -18.133
   29    H5     U 519           H5         U 519  -3.704   3.767 -22.218
   30    H6     U 519           H6         U 519  -5.935   4.738 -22.515
   31   1H5*    U 520          1H5*        U 520  -6.256  11.558 -20.848
   32   2H5*    U 520          2H5*        U 520  -6.935  12.625 -19.619
   33    H4*    U 520           H4*        U 520  -6.989  13.905 -21.554
   34    H3*    U 520           H3*        U 520  -9.708  12.650 -21.153
   35    H2*    U 520           H2*        U 520 -10.511  13.955 -22.948
   36   2HO*    U 520          2HO*        U 520  -9.364  15.826 -23.467
   37    H1*    U 520           H1*        U 520  -8.072  13.513 -24.435
   38    H3     U 520           H3         U 520  -9.825  10.542 -27.321
   39    H5     U 520           H5         U 520 -12.596  10.556 -24.183
   40    H6     U 520           H6         U 520 -11.064  12.035 -22.967
   41   1H5*    G 521          1H5*        G 521 -12.412  15.508 -18.160
   42   2H5*    G 521          2H5*        G 521 -11.220  14.697 -17.145
   43    H4*    G 521           H4*        G 521 -13.869  14.075 -17.263
   44    H3*    G 521           H3*        G 521 -11.502  12.385 -16.440
   45    H2*    G 521           H2*        G 521 -12.974  10.632 -15.969
   46   2HO*    G 521          2HO*        G 521 -14.665  11.446 -14.879
   47    H1*    G 521           H1*        G 521 -14.729  11.495 -18.163
   48    H8     G 521           H8         G 521 -11.214   9.972 -17.815
   49    H1     G 521           H1         G 521 -15.521   6.389 -21.054
   50   1H2     G 521          1H2         G 521 -17.324   7.384 -21.134
   51   2H2     G 521          2H2         G 521 -17.625   8.956 -20.427
   52   1H5*    C 522          1H5*        C 522 -13.975  10.791 -12.785
   53   2H5*    C 522          2H5*        C 522 -14.134  12.537 -12.970
   54    H4*    C 522           H4*        C 522 -12.177  12.038 -10.953
   55    H3*    C 522           H3*        C 522 -14.429  10.127 -10.841
   56    H2*    C 522           H2*        C 522 -15.042  10.668  -8.621
   57   2HO*    C 522          2HO*        C 522 -13.247  11.141  -7.496
   58    H1*    C 522           H1*        C 522 -15.146  13.379  -8.976
   59   1H4     C 522          1H4         C 522 -20.974  11.722 -10.911
   60   2H4     C 522          2H4         C 522 -20.312  10.949 -12.333
   61    H5     C 522           H5         C 522 -17.999  10.770 -12.776
   62    H6     C 522           H6         C 522 -15.730  11.296 -11.955
   63   1H5*    U 523          1H5*        U 523 -10.004   7.580  -8.998
   64   2H5*    U 523          2H5*        U 523 -11.189   6.531  -8.216
   65    H4*    U 523           H4*        U 523  -9.355   6.499  -6.782
   66    H3*    U 523           H3*        U 523 -11.483   8.360  -5.787
   67    H2*    U 523           H2*        U 523 -10.184   8.876  -3.865
   68   2HO*    U 523          2HO*        U 523  -7.933   7.514  -4.266
   69    H1*    U 523           H1*        U 523  -7.856   9.348  -5.368
   70    H3     U 523           H3         U 523  -8.493  13.773  -6.080
   71    H5     U 523           H5         U 523 -12.240  12.423  -4.783
   72    H6     U 523           H6         U 523 -11.344  10.142  -4.889
   73   1H    ALA   1           HN       ALA   1  12.926  13.377  15.844
   74    HA   ALA   1           HA       ALA   1  11.197  11.125  15.492
   75   1HB   ALA   1          1HB       ALA   1   9.212  12.808  15.089
   76   2HB   ALA   1          2HB       ALA   1   9.568  12.238  16.737
   77   3HB   ALA   1          3HB       ALA   1  10.118  13.848  16.214
   78    H    THR   2           HN       THR   2   9.966  11.446  13.289
   79    HA   THR   2           HA       THR   2  10.987  13.377  11.490
   80    HB   THR   2           HB       THR   2  13.037  11.947  11.771
   81    HG1  THR   2           HG1      THR   2  11.510  11.556   9.293
   82   1HG2  THR   2          1HG2      THR   2  11.176   9.795  11.729
   83   2HG2  THR   2          2HG2      THR   2  12.018   9.722  10.162
   84   3HG2  THR   2          3HG2      THR   2  12.951   9.664  11.677
   85    H    VAL   3           HN       VAL   3   9.520  13.669   9.919
   86    HA   VAL   3           HA       VAL   3   7.890  11.371   9.161
   87    HB   VAL   3           HB       VAL   3   6.738  12.603  10.983
   88   1HG1  VAL   3          1HG1      VAL   3   6.067  14.827  10.828
   89   2HG1  VAL   3          2HG1      VAL   3   7.706  14.870  10.133
   90   3HG1  VAL   3          3HG1      VAL   3   6.284  14.878   9.061
   91   1HG2  VAL   3          1HG2      VAL   3   5.720  11.834   8.416
   92   2HG2  VAL   3          2HG2      VAL   3   4.915  11.782  10.002
   93   3HG2  VAL   3          3HG2      VAL   3   4.804  13.246   8.996
   94    H    VAL   4           HN       VAL   4   7.282  11.386   6.986
   95    HA   VAL   4           HA       VAL   4   7.783  13.807   5.467
   96    HB   VAL   4           HB       VAL   4   9.936  12.805   5.401
   97   1HG1  VAL   4          1HG1      VAL   4   9.677  10.308   4.165
   98   2HG1  VAL   4          2HG1      VAL   4  10.139  10.625   5.855
   99   3HG1  VAL   4          3HG1      VAL   4   8.436  10.312   5.441
  100   1HG2  VAL   4          1HG2      VAL   4   8.937  11.760   2.797
  101   2HG2  VAL   4          2HG2      VAL   4   8.565  13.459   3.180
  102   3HG2  VAL   4          3HG2      VAL   4  10.256  12.903   3.149
  103    H    SER   5           HN       SER   5   6.253  14.063   3.892
  104    HA   SER   5           HA       SER   5   5.168  12.002   2.443
  105   1HB   SER   5          2HB       SER   5   3.975  12.261   5.074
  106   2HB   SER   5          3HB       SER   5   2.784  12.694   3.865
  107    HG   SER   5           HG       SER   5   3.368  10.256   4.586
  108    H    GLY   6           HN       GLY   6   4.568  13.068   0.592
  109   1HA   GLY   6          1HA       GLY   6   3.307  15.723   0.886
  110   2HA   GLY   6          2HA       GLY   6   4.646  15.466  -0.214
  111    H    GLN   7           HN       GLN   7   3.378  15.988  -2.084
  112    HA   GLN   7           HA       GLN   7   2.230  13.813  -3.316
  113   1HB   GLN   7          2HB       GLN   7  -0.157  14.417  -3.384
  114   2HB   GLN   7          3HB       GLN   7   0.352  14.119  -1.734
  115   1HG   GLN   7          2HG       GLN   7   0.857  16.819  -1.929
  116   2HG   GLN   7          3HG       GLN   7  -0.503  16.673  -3.023
  117   1HE2  GLN   7          1HE2      GLN   7  -1.257  18.129  -1.180
  118   2HE2  GLN   7          2HE2      GLN   7  -2.129  17.372   0.111
  119    H    LYS   8           HN       LYS   8   1.341  14.407  -5.514
  120    HA   LYS   8           HA       LYS   8   1.576  17.136  -6.327
  121   1HB   LYS   8          2HB       LYS   8   3.963  16.483  -6.208
  122   2HB   LYS   8          3HB       LYS   8   3.658  15.168  -7.325
  123   1HG   LYS   8          2HG       LYS   8   2.596  17.135  -8.819
  124   2HG   LYS   8          3HG       LYS   8   3.647  18.142  -7.843
  125   1HD   LYS   8          2HD       LYS   8   5.345  16.047  -8.521
  126   2HD   LYS   8          3HD       LYS   8   4.347  16.174  -9.956
  127   1HE   LYS   8          2HE       LYS   8   5.064  18.849  -9.086
  128   2HE   LYS   8          3HE       LYS   8   6.520  17.876  -9.165
  129   1HZ   LYS   8          1HZ       LYS   8   5.172  17.203 -11.401
  130   2HZ   LYS   8          2HZ       LYS   8   4.879  18.805 -11.277
  131   3HZ   LYS   8          3HZ       LYS   8   6.417  18.257 -11.324
  132    H    GLN   9           HN       GLN   9  -0.721  16.135  -6.516
  133    HA   GLN   9           HA       GLN   9  -0.883  14.627  -8.998
  134   1HB   GLN   9          2HB       GLN   9  -1.983  13.748  -6.862
  135   2HB   GLN   9          3HB       GLN   9  -3.098  15.098  -6.958
  136   1HG   GLN   9          2HG       GLN   9  -4.256  13.352  -8.066
  137   2HG   GLN   9          3HG       GLN   9  -3.595  14.298  -9.386
  138   1HE2  GLN   9          1HE2      GLN   9  -4.367  11.640  -9.618
  139   2HE2  GLN   9          2HE2      GLN   9  -2.988  10.647  -9.950
  140    H    ASP  10           HN       ASP  10  -1.709  15.569 -10.837
  141    HA   ASP  10           HA       ASP  10  -3.659  17.527 -10.788
  142   1HB   ASP  10          2HB       ASP  10  -1.638  18.863  -9.929
  143   2HB   ASP  10          3HB       ASP  10  -0.896  18.609 -11.496
  144    H    ARG  11           HN       ARG  11  -4.573  16.503 -12.610
  145    HA   ARG  11           HA       ARG  11  -2.950  15.485 -14.661
  146   1HB   ARG  11          2HB       ARG  11  -5.710  15.355 -13.864
  147   2HB   ARG  11          3HB       ARG  11  -5.695  15.897 -15.530
  148   1HG   ARG  11          2HG       ARG  11  -3.811  13.662 -14.942
  149   2HG   ARG  11          3HG       ARG  11  -5.504  13.256 -14.737
  150   1HD   ARG  11          2HD       ARG  11  -5.928  13.345 -16.991
  151   2HD   ARG  11          3HD       ARG  11  -4.988  14.808 -17.208
  152    HE   ARG  11           HE       ARG  11  -4.051  12.077 -17.582
  153   1HH1  ARG  11          2HH2      ARG  11  -3.019  15.332 -16.729
  154   2HH1  ARG  11          1HH2      ARG  11  -1.381  15.081 -17.231
  155   1HH2  ARG  11          2HH1      ARG  11  -1.889  11.746 -18.244
  156   2HH2  ARG  11          1HH1      ARG  11  -0.733  13.028 -18.098
  157    H    GLN  12           HN       GLN  12  -5.370  18.208 -14.520
  158    HA   GLN  12           HA       GLN  12  -5.721  19.893 -15.874
  159   1HB   GLN  12          2HB       GLN  12  -3.551  20.433 -14.503
  160   2HB   GLN  12          3HB       GLN  12  -2.716  20.259 -16.033
  161   1HG   GLN  12          2HG       GLN  12  -3.336  22.356 -16.624
  162   2HG   GLN  12          3HG       GLN  12  -5.023  21.891 -16.534
  163   1HE2  GLN  12          1HE2      GLN  12  -2.564  23.768 -15.232
  164   2HE2  GLN  12          2HE2      GLN  12  -3.336  24.328 -13.786
  165    H    GLY  13           HN       GLY  13  -6.467  18.397 -17.626
  166   1HA   GLY  13          1HA       GLY  13  -4.545  18.084 -19.827
  167   2HA   GLY  13          2HA       GLY  13  -6.066  17.238 -19.628
  168    H    GLY  14           HN       GLY  14  -6.871  17.814 -21.712
  169   1HA   GLY  14          1HA       GLY  14  -7.026  20.606 -22.458
  170   2HA   GLY  14          2HA       GLY  14  -7.595  19.216 -23.363
  171    H    GLU  15           HN       GLU  15  -9.001  21.781 -22.794
  172    HA   GLU  15           HA       GLU  15 -11.071  20.901 -20.975
  173   1HB   GLU  15          2HB       GLU  15  -9.929  23.299 -21.105
  174   2HB   GLU  15          3HB       GLU  15 -11.092  23.572 -22.387
  175   1HG   GLU  15          2HG       GLU  15 -12.844  23.717 -20.928
  176   2HG   GLU  15          3HG       GLU  15 -12.329  22.303 -20.030
  177    H    ARG  16           HN       ARG  16 -13.159  20.363 -21.628
  178    HA   ARG  16           HA       ARG  16 -14.665  19.574 -22.977
  179   1HB   ARG  16          2HB       ARG  16 -14.135  22.347 -23.844
  180   2HB   ARG  16          3HB       ARG  16 -14.842  21.390 -25.130
  181   1HG   ARG  16          2HG       ARG  16 -16.785  20.853 -23.821
  182   2HG   ARG  16          3HG       ARG  16 -16.019  21.353 -22.326
  183   1HD   ARG  16          2HD       ARG  16 -16.522  23.321 -24.599
  184   2HD   ARG  16          3HD       ARG  16 -17.739  22.989 -23.383
  185    HE   ARG  16           HE       ARG  16 -15.202  23.598 -22.132
  186   1HH1  ARG  16          2HH2      ARG  16 -17.939  25.105 -23.749
  187   2HH1  ARG  16          1HH2      ARG  16 -17.730  26.631 -22.959
  188   1HH2  ARG  16          2HH1      ARG  16 -14.925  25.612 -21.088
  189   2HH2  ARG  16          1HH1      ARG  16 -16.004  26.922 -21.435
  190    H    ARG  17           HN       ARG  17 -13.504  17.678 -23.721
  191    HA   ARG  17           HA       ARG  17 -13.184  17.627 -26.505
  192   1HB   ARG  17          2HB       ARG  17 -10.819  18.238 -24.942
  193   2HB   ARG  17          3HB       ARG  17 -10.621  16.636 -25.625
  194   1HG   ARG  17          2HG       ARG  17 -10.370  17.448 -27.742
  195   2HG   ARG  17          3HG       ARG  17 -11.755  18.512 -27.590
  196   1HD   ARG  17          2HD       ARG  17 -10.282  20.074 -26.183
  197   2HD   ARG  17          3HD       ARG  17  -8.917  19.060 -26.605
  198    HE   ARG  17           HE       ARG  17 -10.147  19.671 -29.051
  199   1HH1  ARG  17          2HH2      ARG  17  -8.704  21.497 -26.411
  200   2HH1  ARG  17          1HH2      ARG  17  -8.209  22.812 -27.422
  201   1HH2  ARG  17          2HH1      ARG  17  -9.493  21.407 -30.386
  202   2HH2  ARG  17          1HH1      ARG  17  -8.660  22.761 -29.698
  203    H    ARG  18           HN       ARG  18 -14.405  15.750 -26.684
  204    HA   ARG  18           HA       ARG  18 -13.287  13.421 -25.413
  205   1HB   ARG  18          2HB       ARG  18 -16.072  14.511 -24.936
  206   2HB   ARG  18          3HB       ARG  18 -15.855  12.772 -24.966
  207   1HG   ARG  18          2HG       ARG  18 -14.603  12.745 -23.012
  208   2HG   ARG  18          3HG       ARG  18 -13.869  14.305 -23.327
  209   1HD   ARG  18          2HD       ARG  18 -15.398  14.516 -21.419
  210   2HD   ARG  18          3HD       ARG  18 -16.044  15.432 -22.766
  211    HE   ARG  18           HE       ARG  18 -17.011  12.653 -22.603
  212   1HH1  ARG  18          2HH2      ARG  18 -17.585  16.009 -21.715
  213   2HH1  ARG  18          1HH2      ARG  18 -19.280  15.781 -21.445
  214   1HH2  ARG  18          2HH1      ARG  18 -19.247  12.352 -22.247
  215   2HH2  ARG  18          1HH1      ARG  18 -20.232  13.686 -21.749
  216    H    SER  19           HN       SER  19 -12.647  13.125 -27.733
  217    HA   SER  19           HA       SER  19 -14.163  13.166 -29.891
  218   1HB   SER  19          2HB       SER  19 -11.865  12.496 -30.062
  219   2HB   SER  19          3HB       SER  19 -12.110  11.099 -29.033
  220    HG   SER  19           HG       SER  19 -13.517  11.361 -31.534
  221    H    GLN  20           HN       GLN  20 -16.368  12.654 -29.784
  222    HA   GLN  20           HA       GLN  20 -18.186  11.491 -29.328
  223   1HB   GLN  20          2HB       GLN  20 -16.806  10.446 -31.475
  224   2HB   GLN  20          3HB       GLN  20 -17.080   9.001 -30.524
  225   1HG   GLN  20          2HG       GLN  20 -19.404  10.885 -30.897
  226   2HG   GLN  20          3HG       GLN  20 -18.910   9.923 -32.277
  227   1HE2  GLN  20          1HE2      GLN  20 -19.023   7.681 -32.211
  228   2HE2  GLN  20          2HE2      GLN  20 -19.986   6.819 -31.057
  229    H    LEU  21           HN       LEU  21 -17.072  11.554 -26.939
  230    HA   LEU  21           HA       LEU  21 -17.250   8.782 -25.999
  231   1HB   LEU  21          2HB       LEU  21 -14.930   9.344 -25.977
  232   2HB   LEU  21          3HB       LEU  21 -15.242  10.889 -25.211
  233    HG   LEU  21           HG       LEU  21 -14.304   8.912 -23.811
  234   1HD1  LEU  21          1HD1      LEU  21 -15.849  11.195 -23.197
  235   2HD1  LEU  21          2HD1      LEU  21 -16.433   9.883 -22.144
  236   3HD1  LEU  21          3HD1      LEU  21 -14.707  10.321 -22.148
  237   1HD2  LEU  21          1HD2      LEU  21 -17.229   8.170 -23.995
  238   2HD2  LEU  21          2HD2      LEU  21 -15.806   7.166 -24.361
  239   3HD2  LEU  21          3HD2      LEU  21 -16.163   7.624 -22.679
  240    H    ASP  22           HN       ASP  22 -19.315   8.804 -25.193
  241    HA   ASP  22           HA       ASP  22 -20.419  11.084 -24.023
  242   1HB   ASP  22          2HB       ASP  22 -21.142   8.204 -24.358
  243   2HB   ASP  22          3HB       ASP  22 -21.915   9.002 -23.003
  244    H    ARG  23           HN       ARG  23 -21.217  11.126 -21.648
  245    HA   ARG  23           HA       ARG  23 -19.046  10.742 -19.966
  246   1HB   ARG  23          2HB       ARG  23 -20.950  12.425 -19.692
  247   2HB   ARG  23          3HB       ARG  23 -21.974  11.106 -19.160
  248   1HG   ARG  23          2HG       ARG  23 -21.068  12.209 -17.184
  249   2HG   ARG  23          3HG       ARG  23 -20.343  10.618 -17.303
  250   1HD   ARG  23          2HD       ARG  23 -18.238  11.461 -17.684
  251   2HD   ARG  23          3HD       ARG  23 -18.823  12.721 -18.752
  252    HE   ARG  23           HE       ARG  23 -19.726  13.585 -16.303
  253   1HH1  ARG  23          2HH2      ARG  23 -16.569  12.515 -17.432
  254   2HH1  ARG  23          1HH2      ARG  23 -15.693  13.505 -16.314
  255   1HH2  ARG  23          2HH1      ARG  23 -18.569  14.891 -14.827
  256   2HH2  ARG  23          1HH1      ARG  23 -16.836  14.866 -14.822
  257    H    ASP  24           HN       ASP  24 -21.265   8.503 -21.237
  258    HA   ASP  24           HA       ASP  24 -20.762   6.720 -18.984
  259   1HB   ASP  24          2HB       ASP  24 -23.261   7.571 -19.964
  260   2HB   ASP  24          3HB       ASP  24 -23.053   5.994 -20.699
  261    H    GLN  25           HN       GLN  25 -19.179   7.263 -21.475
  262    HA   GLN  25           HA       GLN  25 -19.588   4.706 -22.822
  263   1HB   GLN  25          2HB       GLN  25 -19.113   7.421 -23.840
  264   2HB   GLN  25          3HB       GLN  25 -17.941   6.282 -24.472
  265   1HG   GLN  25          2HG       GLN  25 -20.078   4.745 -24.876
  266   2HG   GLN  25          3HG       GLN  25 -20.955   6.258 -24.769
  267   1HE2  GLN  25          1HE2      GLN  25 -21.284   7.266 -26.587
  268   2HE2  GLN  25          2HE2      GLN  25 -20.311   7.206 -28.020
  269    H    CYS  26           HN       CYS  26 -17.234   4.227 -24.062
  270    HA   CYS  26           HA       CYS  26 -15.310   4.294 -21.853
  271   1HB   CYS  26          2HB       CYS  26 -16.077   2.028 -22.296
  272   2HB   CYS  26          3HB       CYS  26 -15.706   2.188 -24.001
  273    H    ALA  27           HN       ALA  27 -13.253   5.135 -22.307
  274    HA   ALA  27           HA       ALA  27 -12.923   6.186 -25.025
  275   1HB   ALA  27          1HB       ALA  27 -11.630   7.919 -24.063
  276   2HB   ALA  27          2HB       ALA  27 -12.982   7.696 -22.928
  277   3HB   ALA  27          3HB       ALA  27 -11.382   7.014 -22.550
  278    H    TYR  28           HN       TYR  28 -12.498   3.386 -24.514
  279    HA   TYR  28           HA       TYR  28  -9.600   3.302 -24.964
  280   1HB   TYR  28          2HB       TYR  28 -10.757   2.518 -22.623
  281   2HB   TYR  28          3HB       TYR  28 -11.168   1.095 -23.559
  282    HD1  TYR  28           HD1      TYR  28  -8.165   3.245 -22.860
  283    HD2  TYR  28           HD2      TYR  28  -9.701  -0.700 -23.479
  284    HE1  TYR  28           HE1      TYR  28  -5.864   2.268 -22.396
  285    HE2  TYR  28           HE2      TYR  28  -7.396  -1.663 -23.014
  286    HH   TYR  28           HH       TYR  28  -4.608   0.398 -22.718
  287    H    CYS  29           HN       CYS  29 -12.673   1.356 -25.067
  288    HA   CYS  29           HA       CYS  29 -11.634   0.092 -27.480
  289   1HB   CYS  29          2HB       CYS  29 -13.430  -1.569 -27.143
  290   2HB   CYS  29          3HB       CYS  29 -12.355  -1.464 -25.764
  291    H    LYS  30           HN       LYS  30 -14.090   2.284 -26.147
  292    HA   LYS  30           HA       LYS  30 -15.170   3.877 -27.369
  293   1HB   LYS  30          2HB       LYS  30 -13.736   3.022 -29.397
  294   2HB   LYS  30          3HB       LYS  30 -15.206   2.184 -29.853
  295   1HG   LYS  30          2HG       LYS  30 -15.831   4.140 -30.838
  296   2HG   LYS  30          3HG       LYS  30 -16.178   4.708 -29.217
  297   1HD   LYS  30          2HD       LYS  30 -13.309   4.922 -29.910
  298   2HD   LYS  30          3HD       LYS  30 -14.335   5.844 -30.991
  299   1HE   LYS  30          2HE       LYS  30 -15.261   6.226 -28.263
  300   2HE   LYS  30          3HE       LYS  30 -13.535   6.525 -28.323
  301   1HZ   LYS  30          1HZ       LYS  30 -15.065   7.660 -30.477
  302   2HZ   LYS  30          2HZ       LYS  30 -15.337   8.312 -29.005
  303   3HZ   LYS  30          3HZ       LYS  30 -13.827   8.300 -29.627
  304    H    GLU  31           HN       GLU  31 -15.997   1.495 -25.775
  305    HA   GLU  31           HA       GLU  31 -18.500   0.820 -27.052
  306   1HB   GLU  31          2HB       GLU  31 -16.940  -0.880 -25.881
  307   2HB   GLU  31          3HB       GLU  31 -17.486  -0.187 -24.368
  308   1HG   GLU  31          2HG       GLU  31 -19.695  -0.843 -26.245
  309   2HG   GLU  31          3HG       GLU  31 -18.763  -2.239 -25.741
  310    H    LYS  32           HN       LYS  32 -20.443   0.663 -25.329
  311    HA   LYS  32           HA       LYS  32 -20.372   3.095 -23.692
  312   1HB   LYS  32          2HB       LYS  32 -22.626   3.657 -24.426
  313   2HB   LYS  32          3HB       LYS  32 -21.516   3.626 -25.781
  314   1HG   LYS  32          2HG       LYS  32 -22.280   1.292 -26.329
  315   2HG   LYS  32          3HG       LYS  32 -23.421   1.367 -25.001
  316   1HD   LYS  32          2HD       LYS  32 -24.837   2.847 -26.106
  317   2HD   LYS  32          3HD       LYS  32 -23.530   3.629 -26.972
  318   1HE   LYS  32          2HE       LYS  32 -24.883   2.340 -28.560
  319   2HE   LYS  32          3HE       LYS  32 -23.296   1.608 -28.438
  320   1HZ   LYS  32          1HZ       LYS  32 -24.930   0.490 -26.489
  321   2HZ   LYS  32          2HZ       LYS  32 -25.743   0.441 -27.905
  322   3HZ   LYS  32          3HZ       LYS  32 -24.263  -0.241 -27.788
  323    H    GLY  33           HN       GLY  33 -21.044   2.792 -21.620
  324   1HA   GLY  33          1HA       GLY  33 -22.881   1.684 -20.320
  325   2HA   GLY  33          2HA       GLY  33 -22.302   0.185 -21.018
  326    H    HIS  34           HN       HIS  34 -19.430   0.906 -20.977
  327    HA   HIS  34           HA       HIS  34 -19.027   0.926 -18.074
  328   1HB   HIS  34          2HB       HIS  34 -17.319  -0.718 -18.282
  329   2HB   HIS  34          3HB       HIS  34 -18.745  -1.326 -19.098
  330    HD1  HIS  34           HD1      HIS  34 -18.537  -1.918 -21.566
  331    HD2  HIS  34           HD2      HIS  34 -15.205   0.157 -20.086
  332    HE1  HIS  34           HE1      HIS  34 -16.764  -2.011 -23.400
  333    H    TRP  35           HN       TRP  35 -16.794   1.689 -17.428
  334    HA   TRP  35           HA       TRP  35 -16.082   3.934 -19.154
  335   1HB   TRP  35          2HB       TRP  35 -15.942   3.364 -16.242
  336   2HB   TRP  35          3HB       TRP  35 -14.661   4.351 -16.918
  337    HD1  TRP  35           HD1      TRP  35 -18.413   4.545 -17.963
  338    HE1  TRP  35           HE1      TRP  35 -19.371   6.967 -17.539
  339    HE3  TRP  35           HE3      TRP  35 -14.230   6.378 -15.724
  340    HZ2  TRP  35           HZ2      TRP  35 -18.297   9.324 -16.341
  341    HZ3  TRP  35           HZ3      TRP  35 -14.269   8.749 -14.957
  342    HH2  TRP  35           HH2      TRP  35 -16.211  10.208 -15.233
  343    H    ALA  36           HN       ALA  36 -13.681   4.392 -19.381
  344    HA   ALA  36           HA       ALA  36 -12.376   2.184 -20.451
  345   1HB   ALA  36          1HB       ALA  36 -10.378   3.774 -20.385
  346   2HB   ALA  36          2HB       ALA  36 -11.834   4.388 -21.205
  347   3HB   ALA  36          3HB       ALA  36 -11.445   4.933 -19.556
  348    H    LYS  37           HN       LYS  37 -12.323   3.664 -17.186
  349    HA   LYS  37           HA       LYS  37 -10.086   2.240 -16.259
  350   1HB   LYS  37          2HB       LYS  37 -12.332   3.786 -15.010
  351   2HB   LYS  37          3HB       LYS  37 -11.324   2.784 -13.985
  352   1HG   LYS  37          2HG       LYS  37 -10.104   4.771 -13.938
  353   2HG   LYS  37          3HG       LYS  37  -9.320   3.959 -15.279
  354   1HD   LYS  37          2HD       LYS  37 -10.100   5.470 -16.812
  355   2HD   LYS  37          3HD       LYS  37 -11.709   5.488 -16.119
  356   1HE   LYS  37          2HE       LYS  37 -11.285   7.408 -14.977
  357   2HE   LYS  37          3HE       LYS  37  -9.821   6.746 -14.278
  358   1HZ   LYS  37          1HZ       LYS  37 -10.120   8.449 -16.531
  359   2HZ   LYS  37          2HZ       LYS  37  -8.807   8.185 -15.596
  360   3HZ   LYS  37          3HZ       LYS  37  -9.140   7.180 -16.840
  361    H    ASP  38           HN       ASP  38 -13.201   1.201 -17.214
  362    HA   ASP  38           HA       ASP  38 -12.758  -1.260 -15.721
  363   1HB   ASP  38          2HB       ASP  38 -14.867   0.442 -15.250
  364   2HB   ASP  38          3HB       ASP  38 -15.562  -0.567 -16.503
  365    H    CYS  39           HN       CYS  39 -11.932  -0.396 -18.461
  366    HA   CYS  39           HA       CYS  39 -13.767  -1.398 -20.347
  367   1HB   CYS  39          2HB       CYS  39 -11.999   0.264 -20.877
  368   2HB   CYS  39          3HB       CYS  39 -10.774  -0.965 -20.630
  369    HA   PRO  40           HA       PRO  40 -12.829  -5.623 -19.653
  370   1HB   PRO  40          2HB       PRO  40 -14.404  -6.704 -21.606
  371   2HB   PRO  40          3HB       PRO  40 -15.012  -6.250 -20.027
  372   1HG   PRO  40          2HG       PRO  40 -15.363  -4.867 -22.616
  373   2HG   PRO  40          3HG       PRO  40 -16.287  -4.683 -21.139
  374   1HD   PRO  40          2HD       PRO  40 -14.287  -2.891 -22.146
  375   2HD   PRO  40          3HD       PRO  40 -15.129  -2.768 -20.613
  376    H    LYS  41           HN       LYS  41 -11.704  -3.739 -22.037
  377    HA   LYS  41           HA       LYS  41 -10.326  -6.012 -23.285
  378   1HB   LYS  41          2HB       LYS  41 -11.763  -4.652 -24.791
  379   2HB   LYS  41          3HB       LYS  41 -10.807  -3.235 -24.405
  380   1HG   LYS  41          2HG       LYS  41  -8.911  -5.233 -25.103
  381   2HG   LYS  41          3HG       LYS  41 -10.208  -5.413 -26.267
  382   1HD   LYS  41          2HD       LYS  41  -9.689  -3.455 -27.315
  383   2HD   LYS  41          3HD       LYS  41  -9.563  -2.579 -25.803
  384   1HE   LYS  41          2HE       LYS  41  -7.371  -4.527 -26.570
  385   2HE   LYS  41          3HE       LYS  41  -7.411  -2.945 -27.323
  386   1HZ   LYS  41          1HZ       LYS  41  -6.336  -3.484 -24.935
  387   2HZ   LYS  41          2HZ       LYS  41  -6.765  -1.994 -25.443
  388   3HZ   LYS  41          3HZ       LYS  41  -7.780  -2.857 -24.500
  389    H    LYS  42           HN       LYS  42  -9.903  -4.230 -20.696
  390    HA   LYS  42           HA       LYS  42  -7.370  -3.008 -21.312
  391   1HB   LYS  42          2HB       LYS  42  -9.227  -3.117 -18.981
  392   2HB   LYS  42          3HB       LYS  42  -7.532  -2.838 -18.638
  393   1HG   LYS  42          2HG       LYS  42  -8.688  -1.249 -20.902
  394   2HG   LYS  42          3HG       LYS  42  -9.280  -0.845 -19.303
  395   1HD   LYS  42          2HD       LYS  42  -6.865  -0.647 -18.526
  396   2HD   LYS  42          3HD       LYS  42  -6.357  -0.895 -20.184
  397   1HE   LYS  42          2HE       LYS  42  -6.423   1.431 -20.150
  398   2HE   LYS  42          3HE       LYS  42  -8.061   1.108 -20.680
  399   1HZ   LYS  42          1HZ       LYS  42  -7.680   2.646 -18.705
  400   2HZ   LYS  42          2HZ       LYS  42  -8.884   1.547 -18.601
  401   3HZ   LYS  42          3HZ       LYS  42  -7.469   1.284 -17.830
  402    HA   PRO  43           HA       PRO  43  -4.921  -6.404 -20.267
  403   1HB   PRO  43          2HB       PRO  43  -2.608  -5.202 -19.448
  404   2HB   PRO  43          3HB       PRO  43  -3.034  -5.411 -21.134
  405   1HG   PRO  43          2HG       PRO  43  -3.112  -2.953 -19.493
  406   2HG   PRO  43          3HG       PRO  43  -3.118  -3.107 -21.238
  407   1HD   PRO  43          2HD       PRO  43  -5.368  -2.516 -19.560
  408   2HD   PRO  43          3HD       PRO  43  -5.393  -2.785 -21.291
  409    H    ARG  44           HN       ARG  44  -4.587  -3.912 -17.781
  410    HA   ARG  44           HA       ARG  44  -4.752  -4.020 -15.628
  411   1HB   ARG  44          2HB       ARG  44  -6.872  -5.402 -16.200
  412   2HB   ARG  44          3HB       ARG  44  -5.927  -6.832 -15.836
  413   1HG   ARG  44          2HG       ARG  44  -5.664  -6.232 -13.541
  414   2HG   ARG  44          3HG       ARG  44  -6.071  -4.552 -13.835
  415   1HD   ARG  44          2HD       ARG  44  -8.333  -6.044 -14.722
  416   2HD   ARG  44          3HD       ARG  44  -7.848  -6.789 -13.211
  417    HE   ARG  44           HE       ARG  44  -8.489  -4.847 -12.065
  418   1HH1  ARG  44          2HH2      ARG  44  -8.218  -4.133 -15.499
  419   2HH1  ARG  44          1HH2      ARG  44  -8.901  -2.548 -15.354
  420   1HH2  ARG  44          2HH1      ARG  44  -9.389  -2.756 -11.872
  421   2HH2  ARG  44          1HH1      ARG  44  -9.571  -1.760 -13.277
  422    H    GLY  45           HN       GLY  45  -3.410  -4.667 -13.847
  423   1HA   GLY  45          1HA       GLY  45  -1.843  -5.878 -12.732
  424   2HA   GLY  45          2HA       GLY  45  -1.974  -7.161 -13.919
  425    HA   PRO  46           HA       PRO  46  -0.263  -7.815 -13.097
  426   1HB   PRO  46          2HB       PRO  46   2.226  -8.085 -12.000
  427   2HB   PRO  46          3HB       PRO  46   1.750  -8.856 -13.501
  428   1HG   PRO  46          2HG       PRO  46   3.483  -6.495 -13.096
  429   2HG   PRO  46          3HG       PRO  46   3.340  -7.521 -14.509
  430   1HD   PRO  46          2HD       PRO  46   2.223  -4.902 -14.170
  431   2HD   PRO  46          3HD       PRO  46   1.983  -5.974 -15.535
  432    H    ARG  47           HN       ARG  47   1.552  -5.015 -11.991
  433    HA   ARG  47           HA       ARG  47  -0.322  -4.735  -9.885
  434   1HB   ARG  47          2HB       ARG  47   1.349  -4.842  -8.031
  435   2HB   ARG  47          3HB       ARG  47   1.187  -6.391  -8.835
  436   1HG   ARG  47          2HG       ARG  47   3.304  -6.286  -9.790
  437   2HG   ARG  47          3HG       ARG  47   3.273  -4.541  -9.943
  438   1HD   ARG  47          2HD       ARG  47   4.099  -4.193  -7.804
  439   2HD   ARG  47          3HD       ARG  47   3.264  -5.580  -7.135
  440    HE   ARG  47           HE       ARG  47   5.372  -6.349  -9.004
  441   1HH1  ARG  47          2HH2      ARG  47   4.707  -5.429  -5.674
  442   2HH1  ARG  47          1HH2      ARG  47   6.113  -6.220  -5.040
  443   1HH2  ARG  47          2HH1      ARG  47   7.226  -7.393  -8.169
  444   2HH2  ARG  47          1HH1      ARG  47   7.555  -7.345  -6.470
  445    H    GLY  48           HN       GLY  48   0.205  -2.680  -8.562
  446   1HA   GLY  48          1HA       GLY  48   1.274  -0.639  -8.328
  447   2HA   GLY  48          2HA       GLY  48   2.146  -0.900  -9.826
  448    HA   PRO  49           HA       PRO  49  -2.212   0.832 -10.698
  449   1HB   PRO  49          2HB       PRO  49  -3.260   2.434  -8.748
  450   2HB   PRO  49          3HB       PRO  49  -3.716   0.755  -8.956
  451   1HG   PRO  49          2HG       PRO  49  -1.970   1.958  -6.897
  452   2HG   PRO  49          3HG       PRO  49  -2.771   0.400  -6.883
  453   1HD   PRO  49          2HD       PRO  49   0.006   0.898  -7.398
  454   2HD   PRO  49          3HD       PRO  49  -0.818  -0.645  -7.498
  455    H    ARG  50           HN       ARG  50  -1.106   1.914 -12.289
  456    HA   ARG  50           HA       ARG  50   0.016   3.564 -13.178
  457   1HB   ARG  50          2HB       ARG  50  -2.335   4.441 -13.114
  458   2HB   ARG  50          3HB       ARG  50  -2.005   5.217 -11.578
  459   1HG   ARG  50          2HG       ARG  50  -0.161   6.546 -12.697
  460   2HG   ARG  50          3HG       ARG  50  -0.619   5.830 -14.231
  461   1HD   ARG  50          2HD       ARG  50  -3.069   6.732 -13.408
  462   2HD   ARG  50          3HD       ARG  50  -2.047   7.903 -12.600
  463    HE   ARG  50           HE       ARG  50  -1.377   8.771 -14.694
  464   1HH1  ARG  50          2HH2      ARG  50  -3.209   5.798 -15.129
  465   2HH1  ARG  50          1HH2      ARG  50  -3.387   6.007 -16.839
  466   1HH2  ARG  50          2HH1      ARG  50  -1.613   9.048 -16.950
  467   2HH2  ARG  50          1HH1      ARG  50  -2.473   7.868 -17.882
  468    HA   PRO  51           HA       PRO  51   2.682   4.661  -9.729
  469   1HB   PRO  51          2HB       PRO  51   5.054   4.103 -10.965
  470   2HB   PRO  51          3HB       PRO  51   4.170   2.927 -10.012
  471   1HG   PRO  51          2HG       PRO  51   4.418   3.120 -12.951
  472   2HG   PRO  51          3HG       PRO  51   3.916   1.751 -11.980
  473   1HD   PRO  51          2HD       PRO  51   2.217   3.491 -13.500
  474   2HD   PRO  51          3HD       PRO  51   1.707   2.195 -12.437
  475    H    GLN  52           HN       GLN  52   1.433   6.684 -10.749
  476    HA   GLN  52           HA       GLN  52   1.596   8.752 -11.395
  477   1HB   GLN  52          2HB       GLN  52   3.651   8.342  -9.546
  478   2HB   GLN  52          3HB       GLN  52   4.469   9.167 -10.859
  479   1HG   GLN  52          2HG       GLN  52   3.652  10.930  -9.483
  480   2HG   GLN  52          3HG       GLN  52   2.520  10.870 -10.820
  481   1HE2  GLN  52          1HE2      GLN  52   3.104   9.866  -7.495
  482   2HE2  GLN  52          2HE2      GLN  52   1.452   9.706  -7.002
  483    H    THR  53           HN       THR  53   2.910  10.415 -12.861
  484    HA   THR  53           HA       THR  53   3.878   8.859 -15.165
  485    HB   THR  53           HB       THR  53   2.483  11.576 -14.922
  486    HG1  THR  53           HG1      THR  53   1.929   8.877 -15.918
  487   1HG2  THR  53          1HG2      THR  53   2.465  10.509 -17.587
  488   2HG2  THR  53          2HG2      THR  53   3.212  12.029 -17.038
  489   3HG2  THR  53          3HG2      THR  53   4.162  10.524 -17.050
  490    H    SER  54           HN       SER  54   5.750   9.475 -16.281
  491    HA   SER  54           HA       SER  54   7.637  10.741 -14.562
  492   1HB   SER  54          2HB       SER  54   7.821   8.737 -16.414
  493   2HB   SER  54          3HB       SER  54   8.378  10.086 -17.384
  494    HG   SER  54           HG       SER  54  10.197  10.228 -16.227
  495    H    LEU  55           HN       LEU  55   6.556  11.258 -18.007
  496    HA   LEU  55           HA       LEU  55   6.370  13.082 -19.235
  497   1HB   LEU  55          2HB       LEU  55   5.093  13.718 -17.012
  498   2HB   LEU  55          3HB       LEU  55   6.394  14.881 -16.852
  499    HG   LEU  55           HG       LEU  55   4.489  15.930 -17.887
  500   1HD1  LEU  55          1HD1      LEU  55   6.101  15.757 -20.332
  501   2HD1  LEU  55          2HD1      LEU  55   5.728  17.152 -19.291
  502   3HD1  LEU  55          3HD1      LEU  55   7.053  16.047 -18.857
  503   1HD2  LEU  55          1HD2      LEU  55   4.273  14.794 -20.445
  504   2HD2  LEU  55          2HD2      LEU  55   4.277  13.425 -19.307
  505   3HD2  LEU  55          3HD2      LEU  55   3.086  14.734 -19.121
  506    H    LEU  56           HN       LEU  56   8.375  12.919 -20.264
  507    HA   LEU  56           HA       LEU  56  10.347  14.828 -19.260
  508   1HB   LEU  56          2HB       LEU  56  10.789  12.321 -18.683
  509   2HB   LEU  56          3HB       LEU  56  11.236  12.191 -20.373
  510    HG   LEU  56           HG       LEU  56  12.484  14.352 -18.707
  511   1HD1  LEU  56          1HD1      LEU  56  12.572  12.135 -17.448
  512   2HD1  LEU  56          2HD1      LEU  56  13.624  11.557 -18.763
  513   3HD1  LEU  56          3HD1      LEU  56  14.122  12.949 -17.771
  514   1HD2  LEU  56          1HD2      LEU  56  12.833  14.237 -21.164
  515   2HD2  LEU  56          2HD2      LEU  56  14.335  14.088 -20.223
  516   3HD2  LEU  56          3HD2      LEU  56  13.593  12.642 -20.949
  Start of MODEL   11
    1   1H5*    U 517          1H5*        U 517  -2.804  -0.878 -32.725
    2   2H5*    U 517          2H5*        U 517  -2.389   0.049 -31.284
    3    H4*    U 517           H4*        U 517  -3.913   1.337 -32.590
    4    H3*    U 517           H3*        U 517  -5.176   0.178 -30.101
    5    H2*    U 517           H2*        U 517  -7.090   1.483 -30.531
    6   2HO*    U 517          2HO*        U 517  -6.074   3.396 -31.069
    7    H1*    U 517           H1*        U 517  -6.882   0.988 -33.371
    8    H3     U 517           H3         U 517 -11.072  -0.404 -32.195
    9    H5     U 517           H5         U 517  -8.520  -3.445 -30.861
   10    H6     U 517           H6         U 517  -6.638  -1.974 -31.416
   11   1H5*    U 518          1H5*        U 518  -3.512   4.288 -29.413
   12   2H5*    U 518          2H5*        U 518  -3.434   4.912 -27.765
   13    H4*    U 518           H4*        U 518  -5.484   5.613 -28.836
   14    H3*    U 518           H3*        U 518  -5.840   3.608 -26.599
   15    H2*    U 518           H2*        U 518  -8.153   3.933 -26.747
   16   2HO*    U 518          2HO*        U 518  -7.916   6.219 -26.754
   17    H1*    U 518           H1*        U 518  -7.958   4.320 -29.640
   18    H3     U 518           H3         U 518 -11.154   1.162 -29.702
   19    H5     U 518           H5         U 518  -7.969  -0.764 -27.783
   20    H6     U 518           H6         U 518  -6.765   1.370 -27.852
   21   1H5*    U 519          1H5*        U 519  -7.690   6.950 -24.555
   22   2H5*    U 519          2H5*        U 519  -6.306   7.597 -23.673
   23    H4*    U 519           H4*        U 519  -8.726   7.297 -22.584
   24    H3*    U 519           H3*        U 519  -6.009   7.164 -21.308
   25    H2*    U 519           H2*        U 519  -7.012   6.741 -19.196
   26   2HO*    U 519          2HO*        U 519  -8.758   8.187 -19.597
   27    H1*    U 519           H1*        U 519  -8.666   4.719 -20.155
   28    H3     U 519           H3         U 519  -5.204   2.992 -17.603
   29    H5     U 519           H5         U 519  -3.885   2.944 -21.578
   30    H6     U 519           H6         U 519  -5.851   4.297 -22.142
   31   1H5*    U 520          1H5*        U 520  -9.104  11.521 -20.512
   32   2H5*    U 520          2H5*        U 520  -8.156  10.875 -21.850
   33    H4*    U 520           H4*        U 520  -6.780  13.146 -20.788
   34    H3*    U 520           H3*        U 520  -9.731  13.524 -20.959
   35    H2*    U 520           H2*        U 520  -9.525  15.537 -22.182
   36   2HO*    U 520          2HO*        U 520  -6.683  15.240 -21.948
   37    H1*    U 520           H1*        U 520  -7.791  14.589 -24.071
   38    H3     U 520           H3         U 520 -11.492  14.069 -26.539
   39    H5     U 520           H5         U 520 -12.097  11.353 -23.409
   40    H6     U 520           H6         U 520 -10.016  12.185 -22.417
   41   1H5*    G 521          1H5*        G 521 -11.709  14.950 -19.173
   42   2H5*    G 521          2H5*        G 521 -11.064  15.035 -17.534
   43    H4*    G 521           H4*        G 521 -13.364  14.379 -17.433
   44    H3*    G 521           H3*        G 521 -11.417  12.175 -16.759
   45    H2*    G 521           H2*        G 521 -13.243  10.821 -16.099
   46   2HO*    G 521          2HO*        G 521 -14.266  12.677 -15.101
   47    H1*    G 521           H1*        G 521 -14.778  11.629 -18.380
   48    H8     G 521           H8         G 521 -11.226  10.204 -17.998
   49    H1     G 521           H1         G 521 -15.508   6.334 -20.924
   50   1H2     G 521          1H2         G 521 -17.338   7.278 -21.020
   51   2H2     G 521          2H2         G 521 -17.664   8.881 -20.398
   52   1H5*    C 522          1H5*        C 522  -9.167  11.840 -13.304
   53   2H5*    C 522          2H5*        C 522 -10.059  10.319 -13.288
   54    H4*    C 522           H4*        C 522  -9.250  11.539 -11.066
   55    H3*    C 522           H3*        C 522 -11.635   9.803 -11.561
   56    H2*    C 522           H2*        C 522 -12.419  10.140  -9.346
   57   2HO*    C 522          2HO*        C 522 -10.720  10.344  -8.011
   58    H1*    C 522           H1*        C 522 -12.167  12.905  -9.440
   59   1H4     C 522          1H4         C 522 -18.149  12.066 -11.446
   60   2H4     C 522          2H4         C 522 -17.572  11.382 -12.949
   61    H5     C 522           H5         C 522 -15.291  11.003 -13.432
   62    H6     C 522           H6         C 522 -12.980  11.190 -12.582
   63   1H5*    U 523          1H5*        U 523  -7.376   8.252 -10.809
   64   2H5*    U 523          2H5*        U 523  -7.814   6.985 -11.956
   65    H4*    U 523           H4*        U 523  -5.932   6.061 -11.084
   66    H3*    U 523           H3*        U 523  -8.219   5.114  -9.408
   67    H2*    U 523           H2*        U 523  -6.748   3.948  -7.945
   68   2HO*    U 523          2HO*        U 523  -4.487   4.895  -9.359
   69    H1*    U 523           H1*        U 523  -5.057   6.172  -7.632
   70    H3     U 523           H3         U 523  -7.133   7.997  -4.045
   71    H5     U 523           H5         U 523  -9.922   5.240  -5.514
   72    H6     U 523           H6         U 523  -8.430   4.902  -7.431
   73   1H    ALA   1           HN       ALA   1 -57.797  19.967 -20.279
   74    HA   ALA   1           HA       ALA   1 -55.364  19.038 -20.055
   75   1HB   ALA   1          1HB       ALA   1 -55.457  18.405 -22.343
   76   2HB   ALA   1          2HB       ALA   1 -57.156  18.583 -21.846
   77   3HB   ALA   1          3HB       ALA   1 -56.368  19.866 -22.794
   78    H    THR   2           HN       THR   2 -54.217  20.902 -18.973
   79    HA   THR   2           HA       THR   2 -53.437  23.163 -20.445
   80    HB   THR   2           HB       THR   2 -53.415  22.951 -17.947
   81    HG1  THR   2           HG1      THR   2 -50.795  23.223 -19.248
   82   1HG2  THR   2          1HG2      THR   2 -52.557  20.853 -17.312
   83   2HG2  THR   2          2HG2      THR   2 -51.357  20.837 -18.627
   84   3HG2  THR   2          3HG2      THR   2 -51.086  21.849 -17.189
   85    H    VAL   3           HN       VAL   3 -51.618  23.688 -21.639
   86    HA   VAL   3           HA       VAL   3 -49.730  21.528 -22.147
   87    HB   VAL   3           HB       VAL   3 -49.917  21.922 -24.583
   88   1HG1  VAL   3          1HG1      VAL   3 -52.153  20.730 -24.846
   89   2HG1  VAL   3          2HG1      VAL   3 -50.968  19.959 -23.764
   90   3HG1  VAL   3          3HG1      VAL   3 -52.331  20.878 -23.081
   91   1HG2  VAL   3          1HG2      VAL   3 -50.905  24.137 -24.606
   92   2HG2  VAL   3          2HG2      VAL   3 -51.980  23.003 -25.458
   93   3HG2  VAL   3          3HG2      VAL   3 -52.373  23.531 -23.804
   94    H    VAL   4           HN       VAL   4 -47.639  22.266 -22.562
   95    HA   VAL   4           HA       VAL   4 -47.059  24.867 -23.406
   96    HB   VAL   4           HB       VAL   4 -47.997  25.399 -21.165
   97   1HG1  VAL   4          1HG1      VAL   4 -46.794  23.177 -20.247
   98   2HG1  VAL   4          2HG1      VAL   4 -45.549  24.373 -19.811
   99   3HG1  VAL   4          3HG1      VAL   4 -47.211  24.555 -19.200
  100   1HG2  VAL   4          1HG2      VAL   4 -45.909  26.530 -22.444
  101   2HG2  VAL   4          2HG2      VAL   4 -46.563  27.142 -20.907
  102   3HG2  VAL   4          3HG2      VAL   4 -45.118  26.101 -20.908
  103    H    SER   5           HN       SER   5 -44.788  25.121 -23.760
  104    HA   SER   5           HA       SER   5 -43.005  23.209 -22.684
  105   1HB   SER   5          2HB       SER   5 -44.207  21.963 -24.588
  106   2HB   SER   5          3HB       SER   5 -43.438  23.083 -25.696
  107    HG   SER   5           HG       SER   5 -41.809  21.692 -25.651
  108    H    GLY   6           HN       GLY   6 -40.719  23.661 -23.437
  109   1HA   GLY   6          1HA       GLY   6 -40.407  26.201 -24.872
  110   2HA   GLY   6          2HA       GLY   6 -39.796  26.088 -23.233
  111    H    GLN   7           HN       GLN   7 -38.468  26.319 -26.020
  112    HA   GLN   7           HA       GLN   7 -37.053  23.841 -26.197
  113   1HB   GLN   7          2HB       GLN   7 -37.563  26.106 -27.908
  114   2HB   GLN   7          3HB       GLN   7 -35.828  25.893 -27.795
  115   1HG   GLN   7          2HG       GLN   7 -36.467  23.305 -28.151
  116   2HG   GLN   7          3HG       GLN   7 -37.909  23.991 -28.872
  117   1HE2  GLN   7          1HE2      GLN   7 -35.899  22.482 -30.188
  118   2HE2  GLN   7          2HE2      GLN   7 -35.169  23.467 -31.412
  119    H    LYS   8           HN       LYS   8 -34.877  23.464 -25.623
  120    HA   LYS   8           HA       LYS   8 -33.758  25.525 -23.871
  121   1HB   LYS   8          2HB       LYS   8 -34.185  22.791 -23.498
  122   2HB   LYS   8          3HB       LYS   8 -32.464  22.911 -23.803
  123   1HG   LYS   8          2HG       LYS   8 -32.622  24.973 -22.106
  124   2HG   LYS   8          3HG       LYS   8 -34.088  24.168 -21.584
  125   1HD   LYS   8          2HD       LYS   8 -32.839  22.093 -21.112
  126   2HD   LYS   8          3HD       LYS   8 -31.369  22.787 -21.768
  127   1HE   LYS   8          2HE       LYS   8 -30.881  23.572 -19.696
  128   2HE   LYS   8          3HE       LYS   8 -32.242  24.667 -19.834
  129   1HZ   LYS   8          1HZ       LYS   8 -33.650  22.981 -18.912
  130   2HZ   LYS   8          2HZ       LYS   8 -32.425  21.904 -18.851
  131   3HZ   LYS   8          3HZ       LYS   8 -32.390  23.234 -17.904
  132    H    GLN   9           HN       GLN   9 -31.385  25.884 -23.958
  133    HA   GLN   9           HA       GLN   9 -30.600  25.968 -26.722
  134   1HB   GLN   9          2HB       GLN   9 -28.817  27.479 -25.939
  135   2HB   GLN   9          3HB       GLN   9 -30.375  27.998 -25.329
  136   1HG   GLN   9          2HG       GLN   9 -28.879  26.086 -23.578
  137   2HG   GLN   9          3HG       GLN   9 -28.154  27.671 -23.755
  138   1HE2  GLN   9          1HE2      GLN   9 -30.092  25.918 -21.869
  139   2HE2  GLN   9          2HE2      GLN   9 -31.131  27.125 -21.186
  140    H    ASP  10           HN       ASP  10 -28.641  25.045 -27.560
  141    HA   ASP  10           HA       ASP  10 -27.796  22.767 -25.998
  142   1HB   ASP  10          2HB       ASP  10 -27.727  23.558 -28.904
  143   2HB   ASP  10          3HB       ASP  10 -26.484  22.455 -28.348
  144    H    ARG  11           HN       ARG  11 -25.825  22.869 -24.905
  145    HA   ARG  11           HA       ARG  11 -24.180  25.150 -25.364
  146   1HB   ARG  11          2HB       ARG  11 -24.781  23.895 -23.092
  147   2HB   ARG  11          3HB       ARG  11 -23.435  22.857 -23.521
  148   1HG   ARG  11          2HG       ARG  11 -21.910  24.437 -22.928
  149   2HG   ARG  11          3HG       ARG  11 -22.706  25.666 -23.890
  150   1HD   ARG  11          2HD       ARG  11 -23.995  26.440 -22.105
  151   2HD   ARG  11          3HD       ARG  11 -24.079  24.867 -21.337
  152    HE   ARG  11           HE       ARG  11 -22.181  25.429 -20.106
  153   1HH1  ARG  11          2HH2      ARG  11 -22.236  27.387 -23.030
  154   2HH1  ARG  11          1HH2      ARG  11 -20.836  28.309 -22.593
  155   1HH2  ARG  11          2HH1      ARG  11 -20.335  26.646 -19.529
  156   2HH2  ARG  11          1HH1      ARG  11 -19.749  27.884 -20.586
  157    H    GLN  12           HN       GLN  12 -22.201  25.177 -26.457
  158    HA   GLN  12           HA       GLN  12 -21.481  22.679 -27.724
  159   1HB   GLN  12          2HB       GLN  12 -20.164  24.067 -29.266
  160   2HB   GLN  12          3HB       GLN  12 -21.802  24.681 -29.152
  161   1HG   GLN  12          2HG       GLN  12 -20.226  25.940 -27.080
  162   2HG   GLN  12          3HG       GLN  12 -19.340  26.065 -28.587
  163   1HE2  GLN  12          1HE2      GLN  12 -19.737  27.798 -29.709
  164   2HE2  GLN  12          2HE2      GLN  12 -21.221  28.688 -29.794
  165    H    GLY  13           HN       GLY  13 -18.989  22.342 -28.038
  166   1HA   GLY  13          1HA       GLY  13 -17.822  22.057 -25.484
  167   2HA   GLY  13          2HA       GLY  13 -17.051  21.792 -27.036
  168    H    GLY  14           HN       GLY  14 -16.161  23.695 -28.227
  169   1HA   GLY  14          1HA       GLY  14 -15.927  26.219 -27.812
  170   2HA   GLY  14          2HA       GLY  14 -15.184  25.708 -26.310
  171    H    GLU  15           HN       GLU  15 -13.293  24.118 -26.488
  172    HA   GLU  15           HA       GLU  15 -11.847  24.678 -28.959
  173   1HB   GLU  15          2HB       GLU  15 -11.133  25.207 -26.181
  174   2HB   GLU  15          3HB       GLU  15  -9.956  24.132 -26.909
  175   1HG   GLU  15          2HG       GLU  15  -9.267  25.708 -28.486
  176   2HG   GLU  15          3HG       GLU  15 -10.834  26.490 -28.555
  177    H    ARG  16           HN       ARG  16 -11.865  22.464 -26.067
  178    HA   ARG  16           HA       ARG  16 -11.005  20.364 -27.868
  179   1HB   ARG  16          2HB       ARG  16 -10.338  19.136 -25.844
  180   2HB   ARG  16          3HB       ARG  16  -9.685  20.760 -25.763
  181   1HG   ARG  16          2HG       ARG  16 -12.038  21.234 -24.512
  182   2HG   ARG  16          3HG       ARG  16 -11.911  19.522 -24.158
  183   1HD   ARG  16          2HD       ARG  16  -9.794  19.807 -23.021
  184   2HD   ARG  16          3HD       ARG  16  -9.593  21.432 -23.645
  185    HE   ARG  16           HE       ARG  16 -12.028  21.425 -22.199
  186   1HH1  ARG  16          2HH2      ARG  16  -8.601  20.956 -21.548
  187   2HH1  ARG  16          1HH2      ARG  16  -8.702  21.526 -19.916
  188   1HH2  ARG  16          2HH1      ARG  16 -12.162  22.178 -20.045
  189   2HH2  ARG  16          1HH1      ARG  16 -10.741  22.227 -19.055
  190    H    ARG  17           HN       ARG  17 -12.444  18.763 -28.485
  191    HA   ARG  17           HA       ARG  17 -14.920  18.657 -26.956
  192   1HB   ARG  17          2HB       ARG  17 -15.836  17.652 -29.195
  193   2HB   ARG  17          3HB       ARG  17 -15.550  19.380 -29.126
  194   1HG   ARG  17          2HG       ARG  17 -13.721  19.285 -30.552
  195   2HG   ARG  17          3HG       ARG  17 -13.215  17.708 -29.979
  196   1HD   ARG  17          2HD       ARG  17 -15.674  17.137 -31.173
  197   2HD   ARG  17          3HD       ARG  17 -15.043  18.402 -32.210
  198    HE   ARG  17           HE       ARG  17 -12.981  16.456 -31.637
  199   1HH1  ARG  17          2HH2      ARG  17 -15.877  16.943 -33.576
  200   2HH1  ARG  17          1HH2      ARG  17 -15.389  15.832 -34.814
  201   1HH2  ARG  17          2HH1      ARG  17 -12.338  14.990 -33.268
  202   2HH2  ARG  17          1HH1      ARG  17 -13.363  14.713 -34.636
  203    H    ARG  18           HN       ARG  18 -15.769  16.561 -26.413
  204    HA   ARG  18           HA       ARG  18 -13.805  14.592 -26.132
  205   1HB   ARG  18          2HB       ARG  18 -16.786  14.757 -25.597
  206   2HB   ARG  18          3HB       ARG  18 -15.989  13.201 -25.477
  207   1HG   ARG  18          2HG       ARG  18 -14.775  13.801 -23.594
  208   2HG   ARG  18          3HG       ARG  18 -14.608  15.471 -24.096
  209   1HD   ARG  18          2HD       ARG  18 -17.398  14.580 -23.454
  210   2HD   ARG  18          3HD       ARG  18 -16.292  14.658 -22.097
  211    HE   ARG  18           HE       ARG  18 -15.847  17.063 -23.386
  212   1HH1  ARG  18          2HH2      ARG  18 -18.741  15.446 -22.206
  213   2HH1  ARG  18          1HH2      ARG  18 -19.591  16.922 -21.891
  214   1HH2  ARG  18          2HH1      ARG  18 -16.968  19.010 -22.971
  215   2HH2  ARG  18          1HH1      ARG  18 -18.576  18.963 -22.329
  216    H    SER  19           HN       SER  19 -13.048  13.902 -28.202
  217    HA   SER  19           HA       SER  19 -14.447  13.483 -30.429
  218   1HB   SER  19          2HB       SER  19 -12.096  11.979 -29.248
  219   2HB   SER  19          3HB       SER  19 -12.742  11.514 -30.809
  220    HG   SER  19           HG       SER  19 -11.778  13.200 -31.705
  221    H    GLN  20           HN       GLN  20 -16.548  12.626 -30.284
  222    HA   GLN  20           HA       GLN  20 -18.158  11.222 -29.737
  223   1HB   GLN  20          2HB       GLN  20 -16.217   9.944 -31.502
  224   2HB   GLN  20          3HB       GLN  20 -17.076   8.733 -30.572
  225   1HG   GLN  20          2HG       GLN  20 -19.193  10.291 -31.251
  226   2HG   GLN  20          3HG       GLN  20 -18.141  10.686 -32.596
  227   1HE2  GLN  20          1HE2      GLN  20 -19.008   9.627 -34.239
  228   2HE2  GLN  20          2HE2      GLN  20 -19.284   7.919 -34.330
  229    H    LEU  21           HN       LEU  21 -16.873  11.744 -27.381
  230    HA   LEU  21           HA       LEU  21 -16.791   9.092 -26.123
  231   1HB   LEU  21          2HB       LEU  21 -14.540   9.900 -26.249
  232   2HB   LEU  21          3HB       LEU  21 -15.003  11.470 -25.624
  233    HG   LEU  21           HG       LEU  21 -13.816   9.811 -24.056
  234   1HD1  LEU  21          1HD1      LEU  21 -15.488  11.934 -23.606
  235   2HD1  LEU  21          2HD1      LEU  21 -16.229  10.658 -22.610
  236   3HD1  LEU  21          3HD1      LEU  21 -14.521  11.099 -22.367
  237   1HD2  LEU  21          1HD2      LEU  21 -15.433   7.935 -24.740
  238   2HD2  LEU  21          2HD2      LEU  21 -15.019   8.098 -23.017
  239   3HD2  LEU  21          3HD2      LEU  21 -16.583   8.699 -23.617
  240    H    ASP  22           HN       ASP  22 -18.790   8.968 -25.198
  241    HA   ASP  22           HA       ASP  22 -20.008  11.316 -24.171
  242   1HB   ASP  22          2HB       ASP  22 -20.945   8.918 -25.114
  243   2HB   ASP  22          3HB       ASP  22 -21.028   8.608 -23.391
  244    H    ARG  23           HN       ARG  23 -20.905  11.252 -21.797
  245    HA   ARG  23           HA       ARG  23 -18.735  10.934 -20.084
  246   1HB   ARG  23          2HB       ARG  23 -21.694  11.513 -19.688
  247   2HB   ARG  23          3HB       ARG  23 -20.655  11.285 -18.295
  248   1HG   ARG  23          2HG       ARG  23 -19.924  13.240 -20.510
  249   2HG   ARG  23          3HG       ARG  23 -20.975  13.713 -19.191
  250   1HD   ARG  23          2HD       ARG  23 -18.157  12.575 -18.844
  251   2HD   ARG  23          3HD       ARG  23 -18.563  14.278 -18.758
  252    HE   ARG  23           HE       ARG  23 -20.291  13.074 -16.928
  253   1HH1  ARG  23          2HH2      ARG  23 -16.801  13.180 -17.368
  254   2HH1  ARG  23          1HH2      ARG  23 -16.455  13.004 -15.680
  255   1HH2  ARG  23          2HH1      ARG  23 -19.835  12.841 -14.702
  256   2HH2  ARG  23          1HH1      ARG  23 -18.192  12.810 -14.152
  257    H    ASP  24           HN       ASP  24 -20.809   8.633 -21.442
  258    HA   ASP  24           HA       ASP  24 -20.248   6.822 -19.234
  259   1HB   ASP  24          2HB       ASP  24 -22.744   7.616 -19.584
  260   2HB   ASP  24          3HB       ASP  24 -22.722   6.550 -20.974
  261    H    GLN  25           HN       GLN  25 -18.974   7.542 -21.941
  262    HA   GLN  25           HA       GLN  25 -19.327   4.947 -23.224
  263   1HB   GLN  25          2HB       GLN  25 -19.661   7.442 -24.359
  264   2HB   GLN  25          3HB       GLN  25 -17.992   7.105 -24.772
  265   1HG   GLN  25          2HG       GLN  25 -19.330   4.668 -25.274
  266   2HG   GLN  25          3HG       GLN  25 -20.450   5.893 -25.834
  267   1HE2  GLN  25          1HE2      GLN  25 -20.215   5.522 -27.975
  268   2HE2  GLN  25          2HE2      GLN  25 -18.778   5.850 -28.884
  269    H    CYS  26           HN       CYS  26 -17.599   3.564 -23.189
  270    HA   CYS  26           HA       CYS  26 -15.347   4.128 -21.712
  271   1HB   CYS  26          2HB       CYS  26 -16.053   1.851 -22.120
  272   2HB   CYS  26          3HB       CYS  26 -15.809   2.022 -23.847
  273    H    ALA  27           HN       ALA  27 -13.422   5.178 -22.186
  274    HA   ALA  27           HA       ALA  27 -13.154   6.182 -24.920
  275   1HB   ALA  27          1HB       ALA  27 -11.331   7.588 -23.588
  276   2HB   ALA  27          2HB       ALA  27 -13.058   8.015 -23.509
  277   3HB   ALA  27          3HB       ALA  27 -12.307   7.094 -22.184
  278    H    TYR  28           HN       TYR  28 -12.614   3.385 -24.358
  279    HA   TYR  28           HA       TYR  28  -9.720   3.405 -24.867
  280   1HB   TYR  28          2HB       TYR  28 -10.745   2.562 -22.534
  281   2HB   TYR  28          3HB       TYR  28 -11.308   1.188 -23.466
  282    HD1  TYR  28           HD1      TYR  28  -8.228   3.044 -22.479
  283    HD2  TYR  28           HD2      TYR  28  -9.864  -0.622 -23.957
  284    HE1  TYR  28           HE1      TYR  28  -5.973   1.909 -22.181
  285    HE2  TYR  28           HE2      TYR  28  -7.603  -1.744 -23.653
  286    HH   TYR  28           HH       TYR  28  -5.362  -0.802 -21.785
  287    H    CYS  29           HN       CYS  29 -12.780   1.455 -25.068
  288    HA   CYS  29           HA       CYS  29 -11.708   0.325 -27.545
  289   1HB   CYS  29          2HB       CYS  29 -13.294  -1.518 -27.224
  290   2HB   CYS  29          3HB       CYS  29 -12.221  -1.356 -25.849
  291    H    LYS  30           HN       LYS  30 -14.132   2.374 -26.032
  292    HA   LYS  30           HA       LYS  30 -15.440   3.877 -27.093
  293   1HB   LYS  30          2HB       LYS  30 -15.358   2.269 -29.649
  294   2HB   LYS  30          3HB       LYS  30 -15.770   3.959 -29.437
  295   1HG   LYS  30          2HG       LYS  30 -13.110   3.444 -28.349
  296   2HG   LYS  30          3HG       LYS  30 -13.200   2.860 -29.998
  297   1HD   LYS  30          2HD       LYS  30 -13.322   4.972 -30.868
  298   2HD   LYS  30          3HD       LYS  30 -14.488   5.499 -29.670
  299   1HE   LYS  30          2HE       LYS  30 -12.859   6.276 -28.210
  300   2HE   LYS  30          3HE       LYS  30 -11.706   5.032 -28.656
  301   1HZ   LYS  30          1HZ       LYS  30 -10.809   6.814 -29.674
  302   2HZ   LYS  30          2HZ       LYS  30 -11.775   6.331 -30.900
  303   3HZ   LYS  30          3HZ       LYS  30 -12.231   7.571 -29.939
  304    H    GLU  31           HN       GLU  31 -16.004   1.340 -25.612
  305    HA   GLU  31           HA       GLU  31 -18.567   0.653 -26.786
  306   1HB   GLU  31          2HB       GLU  31 -16.909  -0.659 -24.591
  307   2HB   GLU  31          3HB       GLU  31 -18.521  -1.193 -25.021
  308   1HG   GLU  31          2HG       GLU  31 -17.834  -1.774 -27.272
  309   2HG   GLU  31          3HG       GLU  31 -16.300  -0.944 -27.094
  310    H    LYS  32           HN       LYS  32 -20.413   1.575 -26.004
  311    HA   LYS  32           HA       LYS  32 -20.225   3.247 -23.680
  312   1HB   LYS  32          2HB       LYS  32 -21.468   3.868 -25.756
  313   2HB   LYS  32          3HB       LYS  32 -22.620   2.591 -25.421
  314   1HG   LYS  32          2HG       LYS  32 -23.697   3.840 -23.853
  315   2HG   LYS  32          3HG       LYS  32 -22.200   4.251 -23.042
  316   1HD   LYS  32          2HD       LYS  32 -22.000   6.265 -24.130
  317   2HD   LYS  32          3HD       LYS  32 -22.553   5.612 -25.661
  318   1HE   LYS  32          2HE       LYS  32 -24.608   6.503 -25.311
  319   2HE   LYS  32          3HE       LYS  32 -24.794   5.532 -23.864
  320   1HZ   LYS  32          1HZ       LYS  32 -24.511   7.332 -22.657
  321   2HZ   LYS  32          2HZ       LYS  32 -23.068   7.668 -23.344
  322   3HZ   LYS  32          3HZ       LYS  32 -24.443   8.248 -24.007
  323    H    GLY  33           HN       GLY  33 -21.038   2.872 -21.636
  324   1HA   GLY  33          1HA       GLY  33 -22.812   1.577 -20.435
  325   2HA   GLY  33          2HA       GLY  33 -22.119   0.156 -21.191
  326    H    HIS  34           HN       HIS  34 -19.331   0.773 -21.046
  327    HA   HIS  34           HA       HIS  34 -18.970   0.874 -18.138
  328   1HB   HIS  34          2HB       HIS  34 -17.258  -0.782 -18.301
  329   2HB   HIS  34          3HB       HIS  34 -18.692  -1.398 -19.098
  330    HD1  HIS  34           HD1      HIS  34 -18.439  -2.178 -21.488
  331    HD2  HIS  34           HD2      HIS  34 -15.199   0.153 -20.197
  332    HE1  HIS  34           HE1      HIS  34 -16.687  -2.299 -23.340
  333    H    TRP  35           HN       TRP  35 -16.857   1.745 -17.413
  334    HA   TRP  35           HA       TRP  35 -16.077   3.931 -19.158
  335   1HB   TRP  35          2HB       TRP  35 -15.995   3.356 -16.261
  336   2HB   TRP  35          3HB       TRP  35 -14.627   4.253 -16.889
  337    HD1  TRP  35           HD1      TRP  35 -18.387   4.666 -17.889
  338    HE1  TRP  35           HE1      TRP  35 -19.164   7.164 -17.541
  339    HE3  TRP  35           HE3      TRP  35 -14.005   6.305 -15.897
  340    HZ2  TRP  35           HZ2      TRP  35 -17.888   9.492 -16.495
  341    HZ3  TRP  35           HZ3      TRP  35 -13.854   8.704 -15.239
  342    HH2  TRP  35           HH2      TRP  35 -15.704  10.279 -15.509
  343    H    ALA  36           HN       ALA  36 -13.663   4.388 -19.367
  344    HA   ALA  36           HA       ALA  36 -12.376   2.181 -20.473
  345   1HB   ALA  36          1HB       ALA  36 -11.398   4.908 -19.550
  346   2HB   ALA  36          2HB       ALA  36 -10.386   3.754 -20.453
  347   3HB   ALA  36          3HB       ALA  36 -11.861   4.417 -21.197
  348    H    LYS  37           HN       LYS  37 -12.356   3.601 -17.192
  349    HA   LYS  37           HA       LYS  37 -10.099   2.162 -16.295
  350   1HB   LYS  37          2HB       LYS  37 -12.381   3.512 -14.826
  351   2HB   LYS  37          3HB       LYS  37 -10.989   2.806 -14.028
  352   1HG   LYS  37          2HG       LYS  37  -9.932   4.791 -14.341
  353   2HG   LYS  37          3HG       LYS  37  -9.832   4.380 -16.042
  354   1HD   LYS  37          2HD       LYS  37 -12.267   5.363 -16.200
  355   2HD   LYS  37          3HD       LYS  37 -11.917   6.091 -14.645
  356   1HE   LYS  37          2HE       LYS  37  -9.984   6.417 -16.968
  357   2HE   LYS  37          3HE       LYS  37 -11.385   7.459 -16.823
  358   1HZ   LYS  37          1HZ       LYS  37  -9.530   8.434 -15.728
  359   2HZ   LYS  37          2HZ       LYS  37 -10.623   8.019 -14.587
  360   3HZ   LYS  37          3HZ       LYS  37  -9.282   7.112 -14.802
  361    H    ASP  38           HN       ASP  38 -13.187   1.145 -17.281
  362    HA   ASP  38           HA       ASP  38 -12.837  -1.279 -15.704
  363   1HB   ASP  38          2HB       ASP  38 -14.934   0.422 -15.352
  364   2HB   ASP  38          3HB       ASP  38 -15.575  -0.521 -16.683
  365    H    CYS  39           HN       CYS  39 -11.982  -0.331 -18.497
  366    HA   CYS  39           HA       CYS  39 -13.688  -1.526 -20.383
  367   1HB   CYS  39          2HB       CYS  39 -12.029   0.260 -20.901
  368   2HB   CYS  39          3HB       CYS  39 -10.731  -0.889 -20.643
  369    HA   PRO  40           HA       PRO  40 -12.438  -5.649 -19.571
  370   1HB   PRO  40          2HB       PRO  40 -13.907  -6.894 -21.510
  371   2HB   PRO  40          3HB       PRO  40 -14.563  -6.451 -19.945
  372   1HG   PRO  40          2HG       PRO  40 -14.997  -5.160 -22.569
  373   2HG   PRO  40          3HG       PRO  40 -15.945  -5.013 -21.104
  374   1HD   PRO  40          2HD       PRO  40 -14.080  -3.097 -22.139
  375   2HD   PRO  40          3HD       PRO  40 -14.942  -3.004 -20.616
  376    H    LYS  41           HN       LYS  41 -11.810  -3.887 -22.372
  377    HA   LYS  41           HA       LYS  41 -10.351  -5.981 -23.667
  378   1HB   LYS  41          2HB       LYS  41 -11.570  -3.840 -24.633
  379   2HB   LYS  41          3HB       LYS  41 -10.023  -3.075 -24.332
  380   1HG   LYS  41          2HG       LYS  41  -9.247  -5.461 -25.531
  381   2HG   LYS  41          3HG       LYS  41 -10.755  -5.123 -26.357
  382   1HD   LYS  41          2HD       LYS  41  -9.565  -3.713 -27.686
  383   2HD   LYS  41          3HD       LYS  41  -9.519  -2.618 -26.319
  384   1HE   LYS  41          2HE       LYS  41  -7.232  -2.924 -27.045
  385   2HE   LYS  41          3HE       LYS  41  -7.402  -3.789 -25.530
  386   1HZ   LYS  41          1HZ       LYS  41  -6.297  -5.065 -27.277
  387   2HZ   LYS  41          2HZ       LYS  41  -7.637  -5.814 -26.723
  388   3HZ   LYS  41          3HZ       LYS  41  -7.665  -5.054 -28.168
  389    H    LYS  42           HN       LYS  42  -9.817  -3.969 -20.956
  390    HA   LYS  42           HA       LYS  42  -7.053  -3.487 -21.314
  391   1HB   LYS  42          2HB       LYS  42  -9.019  -3.280 -19.061
  392   2HB   LYS  42          3HB       LYS  42  -7.308  -3.243 -18.687
  393   1HG   LYS  42          2HG       LYS  42  -7.047  -1.418 -20.462
  394   2HG   LYS  42          3HG       LYS  42  -8.794  -1.381 -20.595
  395   1HD   LYS  42          2HD       LYS  42  -9.018  -0.756 -18.226
  396   2HD   LYS  42          3HD       LYS  42  -7.297  -0.957 -17.967
  397   1HE   LYS  42          2HE       LYS  42  -6.744   0.971 -19.252
  398   2HE   LYS  42          3HE       LYS  42  -8.288   0.981 -20.082
  399   1HZ   LYS  42          1HZ       LYS  42  -8.227   2.659 -18.405
  400   2HZ   LYS  42          2HZ       LYS  42  -9.329   1.535 -17.972
  401   3HZ   LYS  42          3HZ       LYS  42  -7.873   1.576 -17.235
  402    HA   PRO  43           HA       PRO  43  -5.903  -7.632 -20.500
  403   1HB   PRO  43          2HB       PRO  43  -3.288  -7.396 -21.261
  404   2HB   PRO  43          3HB       PRO  43  -4.584  -7.756 -22.383
  405   1HG   PRO  43          2HG       PRO  43  -3.125  -5.215 -21.990
  406   2HG   PRO  43          3HG       PRO  43  -4.101  -5.722 -23.356
  407   1HD   PRO  43          2HD       PRO  43  -4.861  -3.878 -21.293
  408   2HD   PRO  43          3HD       PRO  43  -5.874  -4.473 -22.594
  409    H    ARG  44           HN       ARG  44  -6.461  -6.772 -18.234
  410    HA   ARG  44           HA       ARG  44  -4.045  -7.253 -16.764
  411   1HB   ARG  44          2HB       ARG  44  -4.529  -5.262 -15.236
  412   2HB   ARG  44          3HB       ARG  44  -3.964  -4.832 -16.838
  413   1HG   ARG  44          2HG       ARG  44  -5.859  -3.657 -17.239
  414   2HG   ARG  44          3HG       ARG  44  -6.842  -5.078 -16.947
  415   1HD   ARG  44          2HD       ARG  44  -6.410  -4.542 -14.388
  416   2HD   ARG  44          3HD       ARG  44  -5.974  -2.947 -14.967
  417    HE   ARG  44           HE       ARG  44  -8.398  -3.473 -16.232
  418   1HH1  ARG  44          2HH2      ARG  44  -7.308  -3.418 -12.887
  419   2HH1  ARG  44          1HH2      ARG  44  -8.856  -2.965 -12.256
  420   1HH2  ARG  44          2HH1      ARG  44 -10.441  -2.875 -15.400
  421   2HH2  ARG  44          1HH1      ARG  44 -10.650  -2.655 -13.695
  422    H    GLY  45           HN       GLY  45  -4.518  -8.602 -15.034
  423   1HA   GLY  45          1HA       GLY  45  -6.577  -8.444 -13.260
  424   2HA   GLY  45          2HA       GLY  45  -7.254  -9.362 -14.590
  425    HA   PRO  46           HA       PRO  46  -8.173 -10.366 -13.088
  426   1HB   PRO  46          2HB       PRO  46  -8.832 -11.710 -10.802
  427   2HB   PRO  46          3HB       PRO  46  -8.948 -12.422 -12.399
  428   1HG   PRO  46          2HG       PRO  46  -6.924 -12.903 -10.299
  429   2HG   PRO  46          3HG       PRO  46  -7.309 -13.884 -11.699
  430   1HD   PRO  46          2HD       PRO  46  -5.049 -12.145 -11.390
  431   2HD   PRO  46          3HD       PRO  46  -5.496 -13.037 -12.831
  432    H    ARG  47           HN       ARG  47  -6.186 -10.492 -10.173
  433    HA   ARG  47           HA       ARG  47  -6.177  -7.796  -9.831
  434   1HB   ARG  47          2HB       ARG  47  -7.798  -7.536  -7.890
  435   2HB   ARG  47          3HB       ARG  47  -8.578  -7.806  -9.435
  436   1HG   ARG  47          2HG       ARG  47  -8.355 -10.390  -8.672
  437   2HG   ARG  47          3HG       ARG  47  -8.335  -9.664  -7.077
  438   1HD   ARG  47          2HD       ARG  47 -10.427  -8.385  -8.616
  439   2HD   ARG  47          3HD       ARG  47 -10.605 -10.119  -8.793
  440    HE   ARG  47           HE       ARG  47 -11.048  -8.577  -6.369
  441   1HH1  ARG  47          2HH2      ARG  47 -10.066 -11.739  -7.560
  442   2HH1  ARG  47          1HH2      ARG  47 -10.552 -12.573  -6.122
  443   1HH2  ARG  47          2HH1      ARG  47 -11.688  -9.676  -4.470
  444   2HH2  ARG  47          1HH1      ARG  47 -11.481 -11.391  -4.352
  445    H    GLY  48           HN       GLY  48  -5.167  -7.186  -7.705
  446   1HA   GLY  48          1HA       GLY  48  -4.505  -8.077  -5.503
  447   2HA   GLY  48          2HA       GLY  48  -4.033  -9.549  -6.328
  448    HA   PRO  49           HA       PRO  49  -0.651  -6.310  -6.428
  449   1HB   PRO  49          2HB       PRO  49   0.666  -6.649  -4.057
  450   2HB   PRO  49          3HB       PRO  49  -0.498  -5.368  -4.332
  451   1HG   PRO  49          2HG       PRO  49  -0.819  -7.861  -2.775
  452   2HG   PRO  49          3HG       PRO  49  -1.782  -6.397  -2.718
  453   1HD   PRO  49          2HD       PRO  49  -2.486  -8.867  -3.997
  454   2HD   PRO  49          3HD       PRO  49  -3.395  -7.370  -4.037
  455    H    ARG  50           HN       ARG  50   0.625  -7.114  -7.967
  456    HA   ARG  50           HA       ARG  50   2.326  -9.250  -7.057
  457   1HB   ARG  50          2HB       ARG  50   0.480  -9.430  -9.481
  458   2HB   ARG  50          3HB       ARG  50   1.906 -10.439  -9.335
  459   1HG   ARG  50          2HG       ARG  50   0.858 -10.931  -6.896
  460   2HG   ARG  50          3HG       ARG  50  -0.630 -10.481  -7.706
  461   1HD   ARG  50          2HD       ARG  50   1.307 -12.600  -8.760
  462   2HD   ARG  50          3HD       ARG  50  -0.111 -12.965  -7.798
  463    HE   ARG  50           HE       ARG  50  -0.726 -11.312 -10.131
  464   1HH1  ARG  50          2HH2      ARG  50  -0.263 -14.610  -8.994
  465   2HH1  ARG  50          1HH2      ARG  50  -1.208 -15.316 -10.261
  466   1HH2  ARG  50          2HH1      ARG  50  -1.974 -12.243 -11.804
  467   2HH2  ARG  50          1HH1      ARG  50  -2.189 -13.960 -11.870
  468    HA   PRO  51           HA       PRO  51   4.644  -6.269  -9.458
  469   1HB   PRO  51          2HB       PRO  51   6.975  -6.468  -8.045
  470   2HB   PRO  51          3HB       PRO  51   5.707  -5.325  -7.647
  471   1HG   PRO  51          2HG       PRO  51   6.428  -7.845  -6.279
  472   2HG   PRO  51          3HG       PRO  51   5.478  -6.501  -5.676
  473   1HD   PRO  51          2HD       PRO  51   4.484  -9.028  -6.600
  474   2HD   PRO  51          3HD       PRO  51   3.529  -7.644  -6.107
  475    H    GLN  52           HN       GLN  52   4.217  -7.973 -11.123
  476    HA   GLN  52           HA       GLN  52   4.988  -9.301 -12.656
  477   1HB   GLN  52          2HB       GLN  52   7.127  -7.510 -12.112
  478   2HB   GLN  52          3HB       GLN  52   7.870  -9.087 -12.281
  479   1HG   GLN  52          2HG       GLN  52   5.773  -8.352 -14.308
  480   2HG   GLN  52          3HG       GLN  52   7.302  -7.503 -14.410
  481   1HE2  GLN  52          1HE2      GLN  52   6.058  -9.472 -16.189
  482   2HE2  GLN  52          2HE2      GLN  52   7.189 -10.769 -16.387
  483    H    THR  53           HN       THR  53   4.293 -11.296 -11.806
  484    HA   THR  53           HA       THR  53   6.217 -12.711 -10.098
  485    HB   THR  53           HB       THR  53   3.821 -12.361  -9.323
  486    HG1  THR  53           HG1      THR  53   4.367 -14.300  -8.411
  487   1HG2  THR  53          1HG2      THR  53   3.276 -13.418 -11.994
  488   2HG2  THR  53          2HG2      THR  53   2.613 -14.512 -10.757
  489   3HG2  THR  53          3HG2      THR  53   2.122 -12.803 -10.787
  490    H    SER  54           HN       SER  54   6.522 -15.062 -10.502
  491    HA   SER  54           HA       SER  54   6.048 -15.823 -13.234
  492   1HB   SER  54          2HB       SER  54   8.291 -14.603 -13.146
  493   2HB   SER  54          3HB       SER  54   8.874 -15.877 -12.094
  494    HG   SER  54           HG       SER  54   9.339 -16.943 -13.884
  495    H    LEU  55           HN       LEU  55   6.258 -18.169 -13.549
  496    HA   LEU  55           HA       LEU  55   6.127 -20.286 -12.938
  497   1HB   LEU  55          2HB       LEU  55   7.703 -19.407 -10.515
  498   2HB   LEU  55          3HB       LEU  55   7.381 -21.072 -10.955
  499    HG   LEU  55           HG       LEU  55   8.521 -19.879 -13.250
  500   1HD1  LEU  55          1HD1      LEU  55  10.434 -18.741 -12.613
  501   2HD1  LEU  55          2HD1      LEU  55   9.218 -18.113 -11.475
  502   3HD1  LEU  55          3HD1      LEU  55  10.375 -19.356 -10.944
  503   1HD2  LEU  55          1HD2      LEU  55   9.901 -21.678 -13.179
  504   2HD2  LEU  55          2HD2      LEU  55  10.226 -21.508 -11.438
  505   3HD2  LEU  55          3HD2      LEU  55   8.697 -22.232 -11.989
  506    H    LEU  56           HN       LEU  56   4.003 -20.772 -12.679
  507    HA   LEU  56           HA       LEU  56   2.443 -19.591 -10.637
  508   1HB   LEU  56          2HB       LEU  56   2.071 -21.556 -12.823
  509   2HB   LEU  56          3HB       LEU  56   0.948 -21.667 -11.482
  510    HG   LEU  56           HG       LEU  56   0.123 -20.289 -13.368
  511   1HD1  LEU  56          1HD1      LEU  56  -1.049 -19.736 -11.492
  512   2HD1  LEU  56          2HD1      LEU  56   0.401 -19.237 -10.590
  513   3HD1  LEU  56          3HD1      LEU  56  -0.289 -18.164 -11.831
  514   1HD2  LEU  56          1HD2      LEU  56   2.328 -19.357 -14.034
  515   2HD2  LEU  56          2HD2      LEU  56   1.054 -18.125 -13.866
  516   3HD2  LEU  56          3HD2      LEU  56   2.284 -18.311 -12.594
  Start of MODEL   12
    1   1H5*    U 517          1H5*        U 517  -0.735   1.750 -30.125
    2   2H5*    U 517          2H5*        U 517  -1.410   3.281 -30.686
    3    H4*    U 517           H4*        U 517  -2.797   1.792 -31.727
    4    H3*    U 517           H3*        U 517  -4.057   2.578 -29.129
    5    H2*    U 517           H2*        U 517  -5.890   1.120 -29.507
    6   2HO*    U 517          2HO*        U 517  -5.884   1.630 -31.779
    7    H1*    U 517           H1*        U 517  -4.227  -1.039 -30.230
    8    H3     U 517           H3         U 517  -5.293  -2.843 -26.290
    9    H5     U 517           H5         U 517  -3.882   0.939 -25.176
   10    H6     U 517           H6         U 517  -3.589   1.423 -27.562
   11   1H5*    U 518          1H5*        U 518  -4.325   6.890 -29.064
   12   2H5*    U 518          2H5*        U 518  -4.173   6.097 -27.496
   13    H4*    U 518           H4*        U 518  -6.507   6.954 -28.580
   14    H3*    U 518           H3*        U 518  -5.959   4.807 -26.537
   15    H2*    U 518           H2*        U 518  -8.259   4.345 -26.414
   16   2HO*    U 518          2HO*        U 518  -8.655   6.672 -26.387
   17    H1*    U 518           H1*        U 518  -8.539   4.787 -29.281
   18    H3     U 518           H3         U 518 -10.050   0.610 -29.671
   19    H5     U 518           H5         U 518  -6.731   0.110 -27.165
   20    H6     U 518           H6         U 518  -6.413   2.539 -27.266
   21   1H5*    U 519          1H5*        U 519  -8.123   6.410 -24.479
   22   2H5*    U 519          2H5*        U 519  -8.205   8.109 -24.010
   23    H4*    U 519           H4*        U 519  -9.363   7.113 -22.301
   24    H3*    U 519           H3*        U 519  -6.502   7.401 -21.449
   25    H2*    U 519           H2*        U 519  -6.991   6.407 -19.351
   26   2HO*    U 519          2HO*        U 519  -9.030   6.767 -18.689
   27    H1*    U 519           H1*        U 519  -8.338   4.238 -20.422
   28    H3     U 519           H3         U 519  -4.127   3.008 -18.940
   29    H5     U 519           H5         U 519  -3.718   3.960 -22.999
   30    H6     U 519           H6         U 519  -5.996   4.861 -22.915
   31   1H5*    U 520          1H5*        U 520  -6.196  12.232 -20.278
   32   2H5*    U 520          2H5*        U 520  -7.739  13.048 -20.030
   33    H4*    U 520           H4*        U 520  -6.434  13.667 -22.112
   34    H3*    U 520           H3*        U 520  -9.323  12.785 -22.259
   35    H2*    U 520           H2*        U 520  -9.331  13.357 -24.530
   36   2HO*    U 520          2HO*        U 520  -6.783  14.515 -24.511
   37    H1*    U 520           H1*        U 520  -6.537  12.507 -24.778
   38    H3     U 520           H3         U 520  -7.553   9.388 -27.798
   39    H5     U 520           H5         U 520 -10.969   9.403 -25.376
   40    H6     U 520           H6         U 520  -9.868  11.113 -24.005
   41   1H5*    G 521          1H5*        G 521 -13.028  15.067 -22.258
   42   2H5*    G 521          2H5*        G 521 -12.468  16.053 -20.908
   43    H4*    G 521           H4*        G 521 -14.149  14.610 -20.072
   44    H3*    G 521           H3*        G 521 -11.384  13.685 -19.267
   45    H2*    G 521           H2*        G 521 -12.355  12.022 -17.979
   46   2HO*    G 521          2HO*        G 521 -13.651  13.714 -16.980
   47    H1*    G 521           H1*        G 521 -14.725  12.004 -19.764
   48    H8     G 521           H8         G 521 -11.101  10.721 -19.694
   49    H1     G 521           H1         G 521 -15.649   6.231 -20.710
   50   1H2     G 521          1H2         G 521 -17.505   7.128 -20.756
   51   2H2     G 521          2H2         G 521 -17.787   8.843 -20.550
   52   1H5*    C 522          1H5*        C 522 -11.242  12.090 -15.820
   53   2H5*    C 522          2H5*        C 522 -12.333  13.438 -15.498
   54    H4*    C 522           H4*        C 522  -9.704  14.222 -14.709
   55    H3*    C 522           H3*        C 522 -10.290  11.391 -14.068
   56    H2*    C 522           H2*        C 522  -9.831  11.640 -11.753
   57   2HO*    C 522          2HO*        C 522  -9.301  14.203 -11.443
   58    H1*    C 522           H1*        C 522 -11.482  13.802 -11.381
   59   1H4     C 522          1H4         C 522 -15.537   8.956 -10.604
   60   2H4     C 522          2H4         C 522 -15.521   8.643 -12.326
   61    H5     C 522           H5         C 522 -14.162   9.812 -13.862
   62    H6     C 522           H6         C 522 -12.465  11.586 -14.129
   63   1H5*    U 523          1H5*        U 523  -5.523   9.986 -15.181
   64   2H5*    U 523          2H5*        U 523  -5.648  11.121 -13.836
   65    H4*    U 523           H4*        U 523  -3.409  10.751 -15.261
   66    H3*    U 523           H3*        U 523  -4.396  13.216 -13.840
   67    H2*    U 523           H2*        U 523  -2.442  14.370 -14.501
   68   2HO*    U 523          2HO*        U 523  -1.030  12.641 -14.100
   69    H1*    U 523           H1*        U 523  -2.564  13.240 -17.141
   70    H3     U 523           H3         U 523  -3.066  17.497 -18.436
   71    H5     U 523           H5         U 523  -6.271  16.968 -15.793
   72    H6     U 523           H6         U 523  -5.399  14.720 -15.342
   73   1H    ALA   1           HN       ALA   1  -3.404  -9.557 -67.888
   74    HA   ALA   1           HA       ALA   1  -5.721  -8.394 -68.022
   75   1HB   ALA   1          1HB       ALA   1  -7.253  -9.017 -66.423
   76   2HB   ALA   1          2HB       ALA   1  -6.437 -10.584 -66.637
   77   3HB   ALA   1          3HB       ALA   1  -6.001  -9.533 -65.269
   78    H    THR   2           HN       THR   2  -6.139  -7.191 -65.422
   79    HA   THR   2           HA       THR   2  -3.450  -6.227 -64.749
   80    HB   THR   2           HB       THR   2  -4.174  -3.929 -65.002
   81    HG1  THR   2           HG1      THR   2  -6.770  -5.148 -65.619
   82   1HG2  THR   2          1HG2      THR   2  -5.037  -3.783 -67.331
   83   2HG2  THR   2          2HG2      THR   2  -3.751  -5.010 -67.233
   84   3HG2  THR   2          3HG2      THR   2  -5.458  -5.513 -67.291
   85    H    VAL   3           HN       VAL   3  -6.968  -6.079 -63.880
   86    HA   VAL   3           HA       VAL   3  -7.981  -6.215 -61.922
   87    HB   VAL   3           HB       VAL   3  -5.428  -7.618 -61.111
   88   1HG1  VAL   3          1HG1      VAL   3  -7.865  -8.352 -59.665
   89   2HG1  VAL   3          2HG1      VAL   3  -6.240  -7.963 -59.050
   90   3HG1  VAL   3          3HG1      VAL   3  -7.394  -6.655 -59.404
   91   1HG2  VAL   3          1HG2      VAL   3  -8.078  -8.617 -62.194
   92   2HG2  VAL   3          2HG2      VAL   3  -6.460  -8.796 -62.915
   93   3HG2  VAL   3          3HG2      VAL   3  -6.870  -9.671 -61.420
   94    H    VAL   4           HN       VAL   4  -8.404  -4.719 -60.337
   95    HA   VAL   4           HA       VAL   4  -6.144  -3.286 -59.193
   96    HB   VAL   4           HB       VAL   4  -6.909  -2.105 -61.272
   97   1HG1  VAL   4          1HG1      VAL   4  -9.378  -1.393 -59.668
   98   2HG1  VAL   4          2HG1      VAL   4  -9.008  -0.990 -61.362
   99   3HG1  VAL   4          3HG1      VAL   4  -9.356  -2.675 -60.902
  100   1HG2  VAL   4          1HG2      VAL   4  -7.076  -0.753 -58.568
  101   2HG2  VAL   4          2HG2      VAL   4  -5.692  -0.832 -59.684
  102   3HG2  VAL   4          3HG2      VAL   4  -7.117   0.149 -60.102
  103    H    SER   5           HN       SER   5  -6.590  -2.422 -57.112
  104    HA   SER   5           HA       SER   5  -9.215  -2.413 -56.110
  105   1HB   SER   5          2HB       SER   5  -9.099  -4.223 -54.514
  106   2HB   SER   5          3HB       SER   5  -8.724  -4.891 -56.091
  107    HG   SER   5           HG       SER   5  -6.545  -5.032 -55.564
  108    H    GLY   6           HN       GLY   6  -9.234  -0.830 -54.541
  109   1HA   GLY   6          1HA       GLY   6  -7.178  -0.571 -52.590
  110   2HA   GLY   6          2HA       GLY   6  -6.994   0.630 -53.853
  111    H    GLN   7           HN       GLN   7  -7.581   1.355 -51.174
  112    HA   GLN   7           HA       GLN   7  -9.809   2.970 -51.617
  113   1HB   GLN   7          2HB       GLN   7 -10.369   0.363 -50.441
  114   2HB   GLN   7          3HB       GLN   7 -10.754   1.630 -49.293
  115   1HG   GLN   7          2HG       GLN   7 -11.942   2.798 -51.341
  116   2HG   GLN   7          3HG       GLN   7 -11.877   1.212 -52.083
  117   1HE2  GLN   7          1HE2      GLN   7 -14.236   1.559 -51.998
  118   2HE2  GLN   7          2HE2      GLN   7 -15.111   1.038 -50.597
  119    H    LYS   8           HN       LYS   8  -8.985   4.804 -50.710
  120    HA   LYS   8           HA       LYS   8  -7.868   4.545 -48.012
  121   1HB   LYS   8          2HB       LYS   8  -6.510   5.411 -50.450
  122   2HB   LYS   8          3HB       LYS   8  -6.461   6.637 -49.199
  123   1HG   LYS   8          2HG       LYS   8  -4.667   5.428 -48.434
  124   2HG   LYS   8          3HG       LYS   8  -5.899   4.437 -47.680
  125   1HD   LYS   8          2HD       LYS   8  -5.443   2.658 -49.029
  126   2HD   LYS   8          3HD       LYS   8  -5.474   3.646 -50.476
  127   1HE   LYS   8          2HE       LYS   8  -3.103   3.770 -48.578
  128   2HE   LYS   8          3HE       LYS   8  -3.215   2.498 -49.779
  129   1HZ   LYS   8          1HZ       LYS   8  -2.078   4.689 -50.374
  130   2HZ   LYS   8          2HZ       LYS   8  -3.070   4.005 -51.477
  131   3HZ   LYS   8          3HZ       LYS   8  -3.588   5.273 -50.588
  132    H    GLN   9           HN       GLN   9  -9.323   5.537 -46.717
  133    HA   GLN   9           HA       GLN   9 -10.216   8.157 -47.612
  134   1HB   GLN   9          2HB       GLN   9 -11.899   5.828 -46.693
  135   2HB   GLN   9          3HB       GLN   9 -12.422   7.448 -46.276
  136   1HG   GLN   9          2HG       GLN   9 -13.182   7.804 -48.382
  137   2HG   GLN   9          3HG       GLN   9 -11.611   7.430 -49.059
  138   1HE2  GLN   9          1HE2      GLN   9 -12.059   6.154 -50.715
  139   2HE2  GLN   9          2HE2      GLN   9 -12.928   4.656 -50.653
  140    H    ASP  10           HN       ASP  10 -11.202   9.427 -45.646
  141    HA   ASP  10           HA       ASP  10 -10.454   8.584 -43.084
  142   1HB   ASP  10          2HB       ASP  10  -8.714  10.318 -42.643
  143   2HB   ASP  10          3HB       ASP  10  -8.183   9.137 -43.825
  144    H    ARG  11           HN       ARG  11 -12.547   9.331 -42.464
  145    HA   ARG  11           HA       ARG  11 -13.083  12.127 -43.049
  146   1HB   ARG  11          2HB       ARG  11 -14.686   9.936 -43.525
  147   2HB   ARG  11          3HB       ARG  11 -15.262  10.397 -41.936
  148   1HG   ARG  11          2HG       ARG  11 -15.109  12.860 -43.228
  149   2HG   ARG  11          3HG       ARG  11 -15.583  11.793 -44.535
  150   1HD   ARG  11          2HD       ARG  11 -17.314  10.871 -42.681
  151   2HD   ARG  11          3HD       ARG  11 -17.074  12.468 -42.000
  152    HE   ARG  11           HE       ARG  11 -17.535  13.045 -44.646
  153   1HH1  ARG  11          2HH2      ARG  11 -19.257  11.048 -42.317
  154   2HH1  ARG  11          1HH2      ARG  11 -20.805  11.302 -43.051
  155   1HH2  ARG  11          2HH1      ARG  11 -19.578  13.380 -45.616
  156   2HH2  ARG  11          1HH1      ARG  11 -20.989  12.637 -44.940
  157    H    GLN  12           HN       GLN  12 -12.259  13.303 -41.310
  158    HA   GLN  12           HA       GLN  12 -13.189  12.431 -38.689
  159   1HB   GLN  12          2HB       GLN  12 -10.427  13.120 -39.606
  160   2HB   GLN  12          3HB       GLN  12 -10.897  13.772 -38.048
  161   1HG   GLN  12          2HG       GLN  12 -11.028  10.830 -38.865
  162   2HG   GLN  12          3HG       GLN  12  -9.836  11.543 -37.794
  163   1HE2  GLN  12          1HE2      GLN  12 -11.261   9.450 -36.922
  164   2HE2  GLN  12          2HE2      GLN  12 -12.413   9.904 -35.709
  165    H    GLY  13           HN       GLY  13 -14.350  13.972 -37.597
  166   1HA   GLY  13          1HA       GLY  13 -15.223  16.305 -38.722
  167   2HA   GLY  13          2HA       GLY  13 -15.176  15.980 -37.001
  168    H    GLY  14           HN       GLY  14 -12.732  16.108 -36.071
  169   1HA   GLY  14          1HA       GLY  14 -10.883  17.829 -37.268
  170   2HA   GLY  14          2HA       GLY  14 -11.964  18.807 -36.296
  171    H    GLU  15           HN       GLU  15 -12.361  18.021 -33.964
  172    HA   GLU  15           HA       GLU  15 -10.034  17.973 -32.607
  173   1HB   GLU  15          2HB       GLU  15 -12.760  16.865 -31.820
  174   2HB   GLU  15          3HB       GLU  15 -11.438  17.029 -30.682
  175   1HG   GLU  15          2HG       GLU  15 -11.948  19.216 -30.389
  176   2HG   GLU  15          3HG       GLU  15 -11.629  19.525 -32.084
  177    H    ARG  16           HN       ARG  16 -12.194  15.070 -33.048
  178    HA   ARG  16           HA       ARG  16 -11.768  12.958 -33.205
  179   1HB   ARG  16          2HB       ARG  16 -10.276  13.506 -35.090
  180   2HB   ARG  16          3HB       ARG  16  -8.958  13.874 -33.997
  181   1HG   ARG  16          2HG       ARG  16  -9.702  11.279 -33.235
  182   2HG   ARG  16          3HG       ARG  16  -9.906  11.252 -34.974
  183   1HD   ARG  16          2HD       ARG  16  -7.373  12.276 -33.607
  184   2HD   ARG  16          3HD       ARG  16  -7.569  10.620 -34.147
  185    HE   ARG  16           HE       ARG  16  -7.102  12.956 -35.835
  186   1HH1  ARG  16          2HH2      ARG  16  -8.460   9.712 -35.764
  187   2HH1  ARG  16          1HH2      ARG  16  -8.291   9.466 -37.470
  188   1HH2  ARG  16          2HH1      ARG  16  -6.879  12.633 -38.087
  189   2HH2  ARG  16          1HH1      ARG  16  -7.386  11.139 -38.800
  190    H    ARG  17           HN       ARG  17 -12.089  12.688 -30.886
  191    HA   ARG  17           HA       ARG  17 -10.036  11.371 -29.630
  192   1HB   ARG  17          2HB       ARG  17  -9.990  14.287 -29.243
  193   2HB   ARG  17          3HB       ARG  17 -10.194  13.456 -27.713
  194   1HG   ARG  17          2HG       ARG  17  -8.081  12.548 -27.767
  195   2HG   ARG  17          3HG       ARG  17  -8.150  12.225 -29.488
  196   1HD   ARG  17          2HD       ARG  17  -7.910  14.788 -29.830
  197   2HD   ARG  17          3HD       ARG  17  -7.507  14.877 -28.127
  198    HE   ARG  17           HE       ARG  17  -5.818  12.892 -29.055
  199   1HH1  ARG  17          2HH2      ARG  17  -6.471  16.196 -30.078
  200   2HH1  ARG  17          1HH2      ARG  17  -4.876  16.453 -30.702
  201   1HH2  ARG  17          2HH1      ARG  17  -3.714  13.232 -29.878
  202   2HH2  ARG  17          1HH1      ARG  17  -3.297  14.755 -30.588
  203    H    ARG  18           HN       ARG  18 -12.776  13.676 -29.007
  204    HA   ARG  18           HA       ARG  18 -14.074  11.515 -27.588
  205   1HB   ARG  18          2HB       ARG  18 -14.904  13.316 -25.902
  206   2HB   ARG  18          3HB       ARG  18 -13.253  12.757 -25.724
  207   1HG   ARG  18          2HG       ARG  18 -13.258  14.950 -27.610
  208   2HG   ARG  18          3HG       ARG  18 -14.179  15.440 -26.203
  209   1HD   ARG  18          2HD       ARG  18 -12.206  14.536 -24.777
  210   2HD   ARG  18          3HD       ARG  18 -11.299  14.442 -26.274
  211    HE   ARG  18           HE       ARG  18 -11.090  16.772 -26.264
  212   1HH1  ARG  18          2HH2      ARG  18 -13.714  15.848 -24.109
  213   2HH1  ARG  18          1HH2      ARG  18 -13.948  17.452 -23.497
  214   1HH2  ARG  18          2HH1      ARG  18 -11.398  18.888 -25.458
  215   2HH2  ARG  18          1HH1      ARG  18 -12.622  19.193 -24.270
  216    H    SER  19           HN       SER  19 -14.333  12.757 -30.300
  217    HA   SER  19           HA       SER  19 -16.144  14.631 -30.667
  218   1HB   SER  19          2HB       SER  19 -15.030  12.811 -32.288
  219   2HB   SER  19          3HB       SER  19 -16.608  12.057 -32.166
  220    HG   SER  19           HG       SER  19 -16.231  13.695 -33.955
  221    H    GLN  20           HN       GLN  20 -17.176  11.139 -30.484
  222    HA   GLN  20           HA       GLN  20 -19.692  12.121 -29.394
  223   1HB   GLN  20          2HB       GLN  20 -18.996   9.588 -30.934
  224   2HB   GLN  20          3HB       GLN  20 -20.532   9.796 -30.117
  225   1HG   GLN  20          2HG       GLN  20 -21.163  11.639 -31.514
  226   2HG   GLN  20          3HG       GLN  20 -19.522  11.898 -32.068
  227   1HE2  GLN  20          1HE2      GLN  20 -22.394   9.947 -32.315
  228   2HE2  GLN  20          2HE2      GLN  20 -21.999   9.097 -33.771
  229    H    LEU  21           HN       LEU  21 -17.595  12.070 -27.585
  230    HA   LEU  21           HA       LEU  21 -17.581   9.516 -26.251
  231   1HB   LEU  21          2HB       LEU  21 -15.821  11.632 -26.470
  232   2HB   LEU  21          3HB       LEU  21 -16.442  11.809 -24.841
  233    HG   LEU  21           HG       LEU  21 -14.916   9.498 -26.031
  234   1HD1  LEU  21          1HD1      LEU  21 -13.951  10.099 -23.495
  235   2HD1  LEU  21          2HD1      LEU  21 -13.243  10.593 -25.052
  236   3HD1  LEU  21          3HD1      LEU  21 -14.356  11.686 -24.194
  237   1HD2  LEU  21          1HD2      LEU  21 -15.589   8.947 -23.310
  238   2HD2  LEU  21          2HD2      LEU  21 -17.091   9.235 -24.221
  239   3HD2  LEU  21          3HD2      LEU  21 -15.941   7.992 -24.770
  240    H    ASP  22           HN       ASP  22 -19.260   8.877 -25.018
  241    HA   ASP  22           HA       ASP  22 -21.002  10.903 -23.975
  242   1HB   ASP  22          2HB       ASP  22 -21.397   8.343 -24.944
  243   2HB   ASP  22          3HB       ASP  22 -21.421   8.049 -23.216
  244    H    ARG  23           HN       ARG  23 -21.556  10.973 -21.621
  245    HA   ARG  23           HA       ARG  23 -19.292  10.776 -20.029
  246   1HB   ARG  23          2HB       ARG  23 -22.220  11.361 -19.573
  247   2HB   ARG  23          3HB       ARG  23 -21.234  11.026 -18.164
  248   1HG   ARG  23          2HG       ARG  23 -20.762  13.211 -20.241
  249   2HG   ARG  23          3HG       ARG  23 -21.238  13.440 -18.570
  250   1HD   ARG  23          2HD       ARG  23 -18.930  11.944 -18.256
  251   2HD   ARG  23          3HD       ARG  23 -18.545  12.850 -19.706
  252    HE   ARG  23           HE       ARG  23 -19.700  14.526 -17.606
  253   1HH1  ARG  23          2HH2      ARG  23 -16.721  13.102 -18.824
  254   2HH1  ARG  23          1HH2      ARG  23 -15.700  14.284 -18.075
  255   1HH2  ARG  23          2HH1      ARG  23 -18.353  16.084 -16.617
  256   2HH2  ARG  23          1HH1      ARG  23 -16.634  15.992 -16.811
  257    H    ASP  24           HN       ASP  24 -21.389   8.364 -21.170
  258    HA   ASP  24           HA       ASP  24 -20.687   6.669 -18.903
  259   1HB   ASP  24          2HB       ASP  24 -23.213   6.705 -20.612
  260   2HB   ASP  24          3HB       ASP  24 -22.787   5.329 -19.613
  261    H    GLN  25           HN       GLN  25 -19.256   7.279 -21.483
  262    HA   GLN  25           HA       GLN  25 -19.589   4.721 -22.835
  263   1HB   GLN  25          2HB       GLN  25 -18.849   7.470 -23.745
  264   2HB   GLN  25          3HB       GLN  25 -17.979   6.158 -24.515
  265   1HG   GLN  25          2HG       GLN  25 -20.214   5.044 -25.004
  266   2HG   GLN  25          3HG       GLN  25 -21.014   6.469 -24.368
  267   1HE2  GLN  25          1HE2      GLN  25 -21.903   6.356 -26.599
  268   2HE2  GLN  25          2HE2      GLN  25 -21.084   7.217 -27.860
  269    H    CYS  26           HN       CYS  26 -17.167   4.365 -24.081
  270    HA   CYS  26           HA       CYS  26 -15.298   4.328 -21.822
  271   1HB   CYS  26          2HB       CYS  26 -16.026   2.073 -22.261
  272   2HB   CYS  26          3HB       CYS  26 -15.742   2.246 -23.981
  273    H    ALA  27           HN       ALA  27 -13.181   5.066 -22.262
  274    HA   ALA  27           HA       ALA  27 -12.828   6.193 -24.949
  275   1HB   ALA  27          1HB       ALA  27 -11.130   7.648 -23.746
  276   2HB   ALA  27          2HB       ALA  27 -12.821   7.895 -23.250
  277   3HB   ALA  27          3HB       ALA  27 -11.721   6.947 -22.219
  278    H    TYR  28           HN       TYR  28 -12.462   3.392 -24.563
  279    HA   TYR  28           HA       TYR  28  -9.564   3.258 -24.980
  280   1HB   TYR  28          2HB       TYR  28 -10.779   2.442 -22.658
  281   2HB   TYR  28          3HB       TYR  28 -11.135   1.028 -23.631
  282    HD1  TYR  28           HD1      TYR  28  -8.080   3.203 -23.399
  283    HD2  TYR  28           HD2      TYR  28  -9.751  -0.712 -22.962
  284    HE1  TYR  28           HE1      TYR  28  -5.772   2.267 -22.892
  285    HE2  TYR  28           HE2      TYR  28  -7.436  -1.634 -22.457
  286    HH   TYR  28           HH       TYR  28  -4.699  -0.137 -23.194
  287    H    CYS  29           HN       CYS  29 -12.711   1.449 -25.158
  288    HA   CYS  29           HA       CYS  29 -11.707   0.275 -27.644
  289   1HB   CYS  29          2HB       CYS  29 -13.287  -1.546 -27.294
  290   2HB   CYS  29          3HB       CYS  29 -12.231  -1.379 -25.906
  291    H    LYS  30           HN       LYS  30 -14.012   2.414 -26.097
  292    HA   LYS  30           HA       LYS  30 -15.304   3.944 -27.139
  293   1HB   LYS  30          2HB       LYS  30 -14.009   3.162 -29.315
  294   2HB   LYS  30          3HB       LYS  30 -15.530   2.373 -29.681
  295   1HG   LYS  30          2HG       LYS  30 -15.473   4.659 -30.636
  296   2HG   LYS  30          3HG       LYS  30 -16.744   4.517 -29.437
  297   1HD   LYS  30          2HD       LYS  30 -15.809   6.130 -28.138
  298   2HD   LYS  30          3HD       LYS  30 -14.257   5.315 -28.139
  299   1HE   LYS  30          2HE       LYS  30 -14.158   7.616 -29.157
  300   2HE   LYS  30          3HE       LYS  30 -13.621   6.361 -30.255
  301   1HZ   LYS  30          1HZ       LYS  30 -16.260   6.492 -30.726
  302   2HZ   LYS  30          2HZ       LYS  30 -15.894   8.058 -30.444
  303   3HZ   LYS  30          3HZ       LYS  30 -15.111   7.236 -31.618
  304    H    GLU  31           HN       GLU  31 -15.881   1.380 -25.644
  305    HA   GLU  31           HA       GLU  31 -18.381   0.543 -26.736
  306   1HB   GLU  31          2HB       GLU  31 -16.994  -1.111 -25.614
  307   2HB   GLU  31          3HB       GLU  31 -16.904  -0.138 -24.160
  308   1HG   GLU  31          2HG       GLU  31 -18.554  -1.923 -23.835
  309   2HG   GLU  31          3HG       GLU  31 -19.374  -0.374 -23.846
  310    H    LYS  32           HN       LYS  32 -20.450   0.659 -25.485
  311    HA   LYS  32           HA       LYS  32 -20.522   3.110 -23.867
  312   1HB   LYS  32          2HB       LYS  32 -21.635   3.621 -25.877
  313   2HB   LYS  32          3HB       LYS  32 -22.413   2.053 -25.964
  314   1HG   LYS  32          2HG       LYS  32 -24.167   2.757 -24.699
  315   2HG   LYS  32          3HG       LYS  32 -23.104   3.373 -23.450
  316   1HD   LYS  32          2HD       LYS  32 -24.164   5.338 -24.183
  317   2HD   LYS  32          3HD       LYS  32 -22.675   5.373 -25.106
  318   1HE   LYS  32          2HE       LYS  32 -24.957   3.894 -26.370
  319   2HE   LYS  32          3HE       LYS  32 -25.156   5.630 -26.232
  320   1HZ   LYS  32          1HZ       LYS  32 -23.883   4.530 -28.215
  321   2HZ   LYS  32          2HZ       LYS  32 -23.465   6.004 -27.646
  322   3HZ   LYS  32          3HZ       LYS  32 -22.606   4.685 -27.209
  323    H    GLY  33           HN       GLY  33 -20.873   2.710 -21.757
  324   1HA   GLY  33          1HA       GLY  33 -22.812   1.729 -20.404
  325   2HA   GLY  33          2HA       GLY  33 -22.248   0.200 -21.050
  326    H    HIS  34           HN       HIS  34 -19.401   0.715 -21.054
  327    HA   HIS  34           HA       HIS  34 -18.960   0.883 -18.161
  328   1HB   HIS  34          2HB       HIS  34 -17.259  -0.762 -18.352
  329   2HB   HIS  34          3HB       HIS  34 -18.675  -1.380 -19.178
  330    HD1  HIS  34           HD1      HIS  34 -18.171  -2.431 -21.381
  331    HD2  HIS  34           HD2      HIS  34 -15.401   0.564 -20.402
  332    HE1  HIS  34           HE1      HIS  34 -16.453  -2.402 -23.266
  333    H    TRP  35           HN       TRP  35 -16.754   1.695 -17.526
  334    HA   TRP  35           HA       TRP  35 -16.057   3.910 -19.294
  335   1HB   TRP  35          2HB       TRP  35 -15.942   3.394 -16.379
  336   2HB   TRP  35          3HB       TRP  35 -14.622   4.334 -17.049
  337    HD1  TRP  35           HD1      TRP  35 -18.470   4.524 -17.785
  338    HE1  TRP  35           HE1      TRP  35 -19.325   7.010 -17.557
  339    HE3  TRP  35           HE3      TRP  35 -13.990   6.492 -16.404
  340    HZ2  TRP  35           HZ2      TRP  35 -18.059   9.465 -16.841
  341    HZ3  TRP  35           HZ3      TRP  35 -13.885   8.943 -15.959
  342    HH2  TRP  35           HH2      TRP  35 -15.826  10.416 -16.157
  343    H    ALA  36           HN       ALA  36 -13.625   4.400 -19.443
  344    HA   ALA  36           HA       ALA  36 -12.312   2.217 -20.554
  345   1HB   ALA  36          1HB       ALA  36 -10.286   3.842 -20.266
  346   2HB   ALA  36          2HB       ALA  36 -11.649   4.345 -21.294
  347   3HB   ALA  36          3HB       ALA  36 -11.500   4.982 -19.639
  348    H    LYS  37           HN       LYS  37 -12.217   3.662 -17.260
  349    HA   LYS  37           HA       LYS  37 -10.057   2.073 -16.377
  350   1HB   LYS  37          2HB       LYS  37 -12.112   3.841 -15.091
  351   2HB   LYS  37          3HB       LYS  37 -11.165   2.769 -14.080
  352   1HG   LYS  37          2HG       LYS  37  -9.845   4.725 -14.134
  353   2HG   LYS  37          3HG       LYS  37  -9.083   3.719 -15.349
  354   1HD   LYS  37          2HD       LYS  37 -10.009   4.955 -17.151
  355   2HD   LYS  37          3HD       LYS  37 -11.298   5.619 -16.166
  356   1HE   LYS  37          2HE       LYS  37  -9.810   7.446 -16.402
  357   2HE   LYS  37          3HE       LYS  37  -9.413   6.817 -14.815
  358   1HZ   LYS  37          1HZ       LYS  37  -7.445   6.063 -15.538
  359   2HZ   LYS  37          2HZ       LYS  37  -7.975   5.662 -17.030
  360   3HZ   LYS  37          3HZ       LYS  37  -7.619   7.217 -16.681
  361    H    ASP  38           HN       ASP  38 -13.233   1.280 -17.289
  362    HA   ASP  38           HA       ASP  38 -13.070  -1.111 -15.629
  363   1HB   ASP  38          2HB       ASP  38 -15.079   0.774 -15.519
  364   2HB   ASP  38          3HB       ASP  38 -15.728  -0.310 -16.733
  365    H    CYS  39           HN       CYS  39 -12.121  -0.278 -18.468
  366    HA   CYS  39           HA       CYS  39 -13.845  -1.592 -20.286
  367   1HB   CYS  39          2HB       CYS  39 -12.282   0.251 -20.913
  368   2HB   CYS  39          3HB       CYS  39 -10.927  -0.826 -20.640
  369    HA   PRO  40           HA       PRO  40 -12.370  -5.603 -19.297
  370   1HB   PRO  40          2HB       PRO  40 -13.859  -7.016 -21.100
  371   2HB   PRO  40          3HB       PRO  40 -14.468  -6.522 -19.533
  372   1HG   PRO  40          2HG       PRO  40 -15.074  -5.394 -22.197
  373   2HG   PRO  40          3HG       PRO  40 -15.966  -5.213 -20.700
  374   1HD   PRO  40          2HD       PRO  40 -14.242  -3.269 -21.915
  375   2HD   PRO  40          3HD       PRO  40 -15.042  -3.135 -20.361
  376    H    LYS  41           HN       LYS  41 -11.578  -3.785 -21.863
  377    HA   LYS  41           HA       LYS  41 -10.264  -5.901 -23.326
  378   1HB   LYS  41          2HB       LYS  41 -11.366  -4.062 -24.522
  379   2HB   LYS  41          3HB       LYS  41 -10.321  -2.896 -23.736
  380   1HG   LYS  41          2HG       LYS  41  -8.344  -4.322 -24.713
  381   2HG   LYS  41          3HG       LYS  41  -9.558  -5.034 -25.757
  382   1HD   LYS  41          2HD       LYS  41  -8.692  -3.210 -27.022
  383   2HD   LYS  41          3HD       LYS  41 -10.223  -2.621 -26.407
  384   1HE   LYS  41          2HE       LYS  41  -8.447  -1.945 -24.354
  385   2HE   LYS  41          3HE       LYS  41  -7.473  -1.708 -25.791
  386   1HZ   LYS  41          1HZ       LYS  41  -8.545   0.259 -25.679
  387   2HZ   LYS  41          2HZ       LYS  41  -9.640  -0.536 -26.593
  388   3HZ   LYS  41          3HZ       LYS  41  -9.899  -0.345 -24.992
  389    H    LYS  42           HN       LYS  42  -9.641  -3.768 -20.653
  390    HA   LYS  42           HA       LYS  42  -6.856  -3.505 -21.003
  391   1HB   LYS  42          2HB       LYS  42  -8.788  -3.110 -18.735
  392   2HB   LYS  42          3HB       LYS  42  -7.065  -3.086 -18.417
  393   1HG   LYS  42          2HG       LYS  42  -6.721  -1.277 -20.035
  394   2HG   LYS  42          3HG       LYS  42  -8.381  -1.390 -20.588
  395   1HD   LYS  42          2HD       LYS  42  -9.226  -0.270 -18.746
  396   2HD   LYS  42          3HD       LYS  42  -8.042  -0.952 -17.648
  397   1HE   LYS  42          2HE       LYS  42  -6.318   0.550 -18.997
  398   2HE   LYS  42          3HE       LYS  42  -7.748   1.429 -19.502
  399   1HZ   LYS  42          1HZ       LYS  42  -7.364   2.487 -17.586
  400   2HZ   LYS  42          2HZ       LYS  42  -8.186   1.246 -16.915
  401   3HZ   LYS  42          3HZ       LYS  42  -6.554   1.249 -16.893
  402    HA   PRO  43           HA       PRO  43  -5.976  -7.675 -19.992
  403   1HB   PRO  43          2HB       PRO  43  -3.356  -7.647 -20.765
  404   2HB   PRO  43          3HB       PRO  43  -4.676  -7.976 -21.868
  405   1HG   PRO  43          2HG       PRO  43  -3.055  -5.519 -21.602
  406   2HG   PRO  43          3HG       PRO  43  -4.065  -6.027 -22.940
  407   1HD   PRO  43          2HD       PRO  43  -4.696  -4.040 -20.972
  408   2HD   PRO  43          3HD       PRO  43  -5.751  -4.631 -22.239
  409    H    ARG  44           HN       ARG  44  -6.431  -6.390 -17.805
  410    HA   ARG  44           HA       ARG  44  -3.944  -6.114 -16.410
  411   1HB   ARG  44          2HB       ARG  44  -5.337  -5.274 -14.551
  412   2HB   ARG  44          3HB       ARG  44  -5.814  -4.490 -16.044
  413   1HG   ARG  44          2HG       ARG  44  -7.655  -6.245 -16.285
  414   2HG   ARG  44          3HG       ARG  44  -7.233  -6.830 -14.689
  415   1HD   ARG  44          2HD       ARG  44  -7.824  -3.881 -15.079
  416   2HD   ARG  44          3HD       ARG  44  -9.153  -5.017 -14.971
  417    HE   ARG  44           HE       ARG  44  -7.525  -5.681 -12.808
  418   1HH1  ARG  44          2HH2      ARG  44  -9.126  -2.747 -13.908
  419   2HH1  ARG  44          1HH2      ARG  44  -9.318  -2.101 -12.312
  420   1HH2  ARG  44          2HH1      ARG  44  -7.779  -4.830 -10.703
  421   2HH2  ARG  44          1HH1      ARG  44  -8.546  -3.294 -10.477
  422    H    GLY  45           HN       GLY  45  -3.634  -7.231 -14.239
  423   1HA   GLY  45          1HA       GLY  45  -4.356 -10.035 -14.484
  424   2HA   GLY  45          2HA       GLY  45  -3.211  -9.315 -13.370
  425    HA   PRO  46           HA       PRO  46  -3.429 -11.033 -12.355
  426   1HB   PRO  46          2HB       PRO  46  -4.343 -13.285 -11.106
  427   2HB   PRO  46          3HB       PRO  46  -3.496 -12.001 -10.267
  428   1HG   PRO  46          2HG       PRO  46  -6.382 -12.643 -10.242
  429   2HG   PRO  46          3HG       PRO  46  -5.466 -11.665  -9.114
  430   1HD   PRO  46          2HD       PRO  46  -7.214 -10.716 -11.180
  431   2HD   PRO  46          3HD       PRO  46  -6.209  -9.740 -10.127
  432    H    ARG  47           HN       ARG  47  -6.677 -12.353 -12.754
  433    HA   ARG  47           HA       ARG  47  -6.215 -14.380 -14.360
  434   1HB   ARG  47          2HB       ARG  47  -8.434 -12.854 -13.732
  435   2HB   ARG  47          3HB       ARG  47  -8.310 -12.547 -15.453
  436   1HG   ARG  47          2HG       ARG  47  -7.981 -15.406 -14.633
  437   2HG   ARG  47          3HG       ARG  47  -9.578 -14.731 -14.375
  438   1HD   ARG  47          2HD       ARG  47  -8.384 -14.062 -17.024
  439   2HD   ARG  47          3HD       ARG  47  -8.680 -15.771 -16.779
  440    HE   ARG  47           HE       ARG  47 -10.701 -13.670 -17.041
  441   1HH1  ARG  47          2HH2      ARG  47 -10.058 -16.903 -15.809
  442   2HH1  ARG  47          1HH2      ARG  47 -11.722 -17.381 -15.830
  443   1HH2  ARG  47          2HH1      ARG  47 -12.897 -14.301 -17.069
  444   2HH2  ARG  47          1HH1      ARG  47 -13.348 -15.891 -16.552
  445    H    GLY  48           HN       GLY  48  -5.764 -14.791 -16.597
  446   1HA   GLY  48          1HA       GLY  48  -5.762 -13.600 -18.831
  447   2HA   GLY  48          2HA       GLY  48  -4.685 -12.458 -18.053
  448    HA   PRO  49           HA       PRO  49  -1.624 -15.257 -19.495
  449   1HB   PRO  49          2HB       PRO  49   0.539 -13.645 -19.060
  450   2HB   PRO  49          3HB       PRO  49  -0.425 -13.579 -20.521
  451   1HG   PRO  49          2HG       PRO  49  -0.383 -11.698 -18.242
  452   2HG   PRO  49          3HG       PRO  49  -0.998 -11.445 -19.863
  453   1HD   PRO  49          2HD       PRO  49  -2.545 -11.943 -17.498
  454   2HD   PRO  49          3HD       PRO  49  -3.151 -11.805 -19.137
  455    H    ARG  50           HN       ARG  50  -2.006 -16.883 -17.958
  456    HA   ARG  50           HA       ARG  50   0.117 -16.872 -16.039
  457   1HB   ARG  50          2HB       ARG  50  -1.555 -17.569 -14.185
  458   2HB   ARG  50          3HB       ARG  50  -1.519 -15.868 -14.608
  459   1HG   ARG  50          2HG       ARG  50  -3.537 -16.032 -15.911
  460   2HG   ARG  50          3HG       ARG  50  -3.464 -17.783 -15.954
  461   1HD   ARG  50          2HD       ARG  50  -3.501 -17.279 -13.214
  462   2HD   ARG  50          3HD       ARG  50  -4.519 -15.994 -13.832
  463    HE   ARG  50           HE       ARG  50  -5.242 -18.479 -15.093
  464   1HH1  ARG  50          2HH2      ARG  50  -5.497 -16.788 -12.018
  465   2HH1  ARG  50          1HH2      ARG  50  -6.944 -17.610 -11.540
  466   1HH2  ARG  50          2HH1      ARG  50  -7.153 -19.564 -14.463
  467   2HH2  ARG  50          1HH1      ARG  50  -7.892 -19.199 -12.940
  468    HA   PRO  51           HA       PRO  51  -1.042 -20.892 -17.907
  469   1HB   PRO  51          2HB       PRO  51   1.287 -21.403 -19.242
  470   2HB   PRO  51          3HB       PRO  51  -0.110 -20.667 -20.000
  471   1HG   PRO  51          2HG       PRO  51   2.421 -19.399 -19.151
  472   2HG   PRO  51          3HG       PRO  51   1.213 -18.797 -20.269
  473   1HD   PRO  51          2HD       PRO  51   1.613 -17.953 -17.557
  474   2HD   PRO  51          3HD       PRO  51   0.334 -17.437 -18.637
  475    H    GLN  52           HN       GLN  52  -1.188 -21.668 -15.774
  476    HA   GLN  52           HA       GLN  52   1.060 -23.312 -15.204
  477   1HB   GLN  52          2HB       GLN  52   1.529 -22.427 -12.962
  478   2HB   GLN  52          3HB       GLN  52   1.795 -21.182 -14.166
  479   1HG   GLN  52          2HG       GLN  52  -0.047 -19.928 -13.495
  480   2HG   GLN  52          3HG       GLN  52  -0.966 -21.334 -12.997
  481   1HE2  GLN  52          1HE2      GLN  52  -1.394 -21.256 -10.936
  482   2HE2  GLN  52          2HE2      GLN  52  -0.324 -20.796  -9.653
  483    H    THR  53           HN       THR  53   0.521 -25.024 -13.704
  484    HA   THR  53           HA       THR  53  -2.271 -25.600 -13.639
  485    HB   THR  53           HB       THR  53  -0.408 -27.279 -13.963
  486    HG1  THR  53           HG1      THR  53  -1.934 -27.544 -11.471
  487   1HG2  THR  53          1HG2      THR  53   0.570 -28.109 -11.706
  488   2HG2  THR  53          2HG2      THR  53   1.298 -26.630 -12.378
  489   3HG2  THR  53          3HG2      THR  53   0.116 -26.517 -11.052
  490    H    SER  54           HN       SER  54  -3.711 -25.706 -11.920
  491    HA   SER  54           HA       SER  54  -2.885 -25.167  -9.302
  492   1HB   SER  54          2HB       SER  54  -2.615 -22.866 -10.094
  493   2HB   SER  54          3HB       SER  54  -4.210 -22.881 -10.823
  494    HG   SER  54           HG       SER  54  -5.139 -23.102  -8.686
  495    H    LEU  55           HN       LEU  55  -4.183 -27.192  -9.283
  496    HA   LEU  55           HA       LEU  55  -6.829 -26.709  -8.484
  497   1HB   LEU  55          2HB       LEU  55  -6.711 -26.670 -11.172
  498   2HB   LEU  55          3HB       LEU  55  -6.898 -28.394 -10.922
  499    HG   LEU  55           HG       LEU  55  -8.898 -27.686  -9.376
  500   1HD1  LEU  55          1HD1      LEU  55  -8.158 -25.202  -9.749
  501   2HD1  LEU  55          2HD1      LEU  55  -9.092 -25.359 -11.257
  502   3HD1  LEU  55          3HD1      LEU  55  -9.884 -25.631  -9.686
  503   1HD2  LEU  55          1HD2      LEU  55 -10.401 -28.037 -11.168
  504   2HD2  LEU  55          2HD2      LEU  55  -9.250 -27.396 -12.364
  505   3HD2  LEU  55          3HD2      LEU  55  -8.931 -28.956 -11.567
  506    H    LEU  56           HN       LEU  56  -5.614 -27.770  -6.715
  507    HA   LEU  56           HA       LEU  56  -5.905 -30.649  -6.975
  508   1HB   LEU  56          2HB       LEU  56  -3.436 -29.557  -7.350
  509   2HB   LEU  56          3HB       LEU  56  -3.421 -29.828  -5.619
  510    HG   LEU  56           HG       LEU  56  -4.218 -32.236  -6.215
  511   1HD1  LEU  56          1HD1      LEU  56  -4.395 -31.316  -8.732
  512   2HD1  LEU  56          2HD1      LEU  56  -2.724 -31.927  -8.763
  513   3HD1  LEU  56          3HD1      LEU  56  -4.062 -33.018  -8.332
  514   1HD2  LEU  56          1HD2      LEU  56  -1.378 -31.501  -6.947
  515   2HD2  LEU  56          2HD2      LEU  56  -1.991 -31.495  -5.276
  516   3HD2  LEU  56          3HD2      LEU  56  -1.977 -33.008  -6.214
  Start of MODEL   13
    1   1H5*    U 517          1H5*        U 517  -1.282   3.210 -30.240
    2   2H5*    U 517          2H5*        U 517  -2.678   3.736 -29.298
    3    H4*    U 517           H4*        U 517  -2.633   1.536 -30.864
    4    H3*    U 517           H3*        U 517  -4.331   2.340 -28.560
    5    H2*    U 517           H2*        U 517  -5.306   0.189 -28.357
    6   2HO*    U 517          2HO*        U 517  -3.694  -0.599 -30.593
    7    H1*    U 517           H1*        U 517  -2.920  -1.188 -28.345
    8    H3     U 517           H3         U 517  -3.536  -1.289 -23.911
    9    H5     U 517           H5         U 517  -3.122   2.807 -24.677
   10    H6     U 517           H6         U 517  -3.009   2.249 -27.062
   11   1H5*    U 518          1H5*        U 518  -5.433   6.191 -30.712
   12   2H5*    U 518          2H5*        U 518  -5.171   6.294 -28.972
   13    H4*    U 518           H4*        U 518  -7.582   5.962 -30.087
   14    H3*    U 518           H3*        U 518  -6.573   4.982 -27.417
   15    H2*    U 518           H2*        U 518  -8.590   3.929 -27.037
   16   2HO*    U 518          2HO*        U 518 -10.297   5.226 -27.438
   17    H1*    U 518           H1*        U 518  -9.066   3.812 -29.985
   18    H3     U 518           H3         U 518 -10.407  -0.429 -29.708
   19    H5     U 518           H5         U 518  -7.300  -0.315 -26.904
   20    H6     U 518           H6         U 518  -7.027   2.060 -27.449
   21   1H5*    U 519          1H5*        U 519  -5.981   7.475 -23.924
   22   2H5*    U 519          2H5*        U 519  -6.622   6.055 -24.751
   23    H4*    U 519           H4*        U 519  -8.842   7.607 -23.887
   24    H3*    U 519           H3*        U 519  -6.633   7.566 -21.884
   25    H2*    U 519           H2*        U 519  -8.117   6.941 -20.131
   26   2HO*    U 519          2HO*        U 519 -10.455   6.663 -21.037
   27    H1*    U 519           H1*        U 519  -9.214   4.820 -21.577
   28    H3     U 519           H3         U 519  -6.464   3.327 -18.150
   29    H5     U 519           H5         U 519  -4.080   3.554 -21.584
   30    H6     U 519           H6         U 519  -5.930   4.743 -22.670
   31   1H5*    U 520          1H5*        U 520  -5.850  12.464 -21.580
   32   2H5*    U 520          2H5*        U 520  -6.337  12.577 -19.888
   33    H4*    U 520           H4*        U 520  -7.299  14.454 -20.833
   34    H3*    U 520           H3*        U 520  -9.379  12.264 -20.794
   35    H2*    U 520           H2*        U 520 -10.977  13.845 -21.522
   36   2HO*    U 520          2HO*        U 520 -10.014  15.415 -20.039
   37    H1*    U 520           H1*        U 520  -9.124  15.009 -23.377
   38    H3     U 520           H3         U 520 -10.744  12.953 -27.043
   39    H5     U 520           H5         U 520 -12.313  10.676 -23.896
   40    H6     U 520           H6         U 520 -10.958  12.034 -22.369
   41   1H5*    G 521          1H5*        G 521 -11.197  14.049 -18.586
   42   2H5*    G 521          2H5*        G 521 -11.148  14.850 -17.016
   43    H4*    G 521           H4*        G 521 -13.217  13.988 -16.828
   44    H3*    G 521           H3*        G 521 -11.430  11.719 -15.987
   45    H2*    G 521           H2*        G 521 -13.299  10.322 -15.697
   46   2HO*    G 521          2HO*        G 521 -14.999  12.550 -16.248
   47    H1*    G 521           H1*        G 521 -14.573  11.421 -18.058
   48    H8     G 521           H8         G 521 -11.282   9.572 -17.319
   49    H1     G 521           H1         G 521 -15.421   6.494 -21.230
   50   1H2     G 521          1H2         G 521 -17.099   7.658 -21.509
   51   2H2     G 521          2H2         G 521 -17.349   9.233 -20.792
   52   1H5*    C 522          1H5*        C 522 -11.876  14.999 -12.206
   53   2H5*    C 522          2H5*        C 522 -11.001  13.841 -11.204
   54    H4*    C 522           H4*        C 522 -12.411  15.464  -9.941
   55    H3*    C 522           H3*        C 522 -12.818  12.498  -9.627
   56    H2*    C 522           H2*        C 522 -14.396  12.905  -7.910
   57   2HO*    C 522          2HO*        C 522 -13.220  14.592  -6.944
   58    H1*    C 522           H1*        C 522 -15.609  15.024  -9.413
   59   1H4     C 522          1H4         C 522 -19.794  10.282 -10.105
   60   2H4     C 522          2H4         C 522 -18.606   9.326 -10.962
   61    H5     C 522           H5         C 522 -16.371  10.005 -11.308
   62    H6     C 522           H6         C 522 -14.710  11.788 -10.912
   63   1H5*    U 523          1H5*        U 523 -11.239  11.267  -6.792
   64   2H5*    U 523          2H5*        U 523 -10.418  11.999  -5.412
   65    H4*    U 523           H4*        U 523  -9.782   9.660  -5.723
   66    H3*    U 523           H3*        U 523  -7.614  11.728  -6.100
   67    H2*    U 523           H2*        U 523  -6.032   9.972  -6.197
   68   2HO*    U 523          2HO*        U 523  -6.961   8.779  -4.497
   69    H1*    U 523           H1*        U 523  -7.777   8.386  -7.838
   70    H3     U 523           H3         U 523  -4.817   8.806 -11.146
   71    H5     U 523           H5         U 523  -5.185  12.753  -9.796
   72    H6     U 523           H6         U 523  -6.745  11.922  -8.096
   73   1H    ALA   1           HN       ALA   1  31.342  22.865 -43.726
   74    HA   ALA   1           HA       ALA   1  30.520  20.539 -42.326
   75   1HB   ALA   1          1HB       ALA   1  31.241  23.014 -40.804
   76   2HB   ALA   1          2HB       ALA   1  29.750  22.164 -40.331
   77   3HB   ALA   1          3HB       ALA   1  31.309  21.306 -40.306
   78    H    THR   2           HN       THR   2  28.584  20.205 -43.287
   79    HA   THR   2           HA       THR   2  26.923  22.588 -43.790
   80    HB   THR   2           HB       THR   2  26.095  21.246 -45.791
   81    HG1  THR   2           HG1      THR   2  26.876  19.191 -44.762
   82   1HG2  THR   2          1HG2      THR   2  28.964  22.125 -45.473
   83   2HG2  THR   2          2HG2      THR   2  28.559  21.142 -46.900
   84   3HG2  THR   2          3HG2      THR   2  27.733  22.695 -46.625
   85    H    VAL   3           HN       VAL   3  24.661  22.397 -43.490
   86    HA   VAL   3           HA       VAL   3  23.458  20.006 -42.658
   87    HB   VAL   3           HB       VAL   3  24.942  20.415 -40.700
   88   1HG1  VAL   3          1HG1      VAL   3  24.883  22.883 -40.740
   89   2HG1  VAL   3          2HG1      VAL   3  23.172  22.843 -40.250
   90   3HG1  VAL   3          3HG1      VAL   3  24.427  22.230 -39.148
   91   1HG2  VAL   3          1HG2      VAL   3  22.685  19.216 -40.641
   92   2HG2  VAL   3          2HG2      VAL   3  23.320  19.807 -39.087
   93   3HG2  VAL   3          3HG2      VAL   3  22.032  20.708 -39.922
   94    H    VAL   4           HN       VAL   4  21.382  20.274 -43.290
   95    HA   VAL   4           HA       VAL   4  20.385  23.033 -43.366
   96    HB   VAL   4           HB       VAL   4  18.931  22.310 -45.132
   97   1HG1  VAL   4          1HG1      VAL   4  21.854  21.912 -45.308
   98   2HG1  VAL   4          2HG1      VAL   4  20.914  21.175 -46.627
   99   3HG1  VAL   4          3HG1      VAL   4  20.768  22.917 -46.295
  100   1HG2  VAL   4          1HG2      VAL   4  18.184  20.193 -45.027
  101   2HG2  VAL   4          2HG2      VAL   4  19.666  19.773 -45.919
  102   3HG2  VAL   4          3HG2      VAL   4  19.625  19.628 -44.145
  103    H    SER   5           HN       SER   5  19.079  23.542 -41.692
  104    HA   SER   5           HA       SER   5  17.302  21.418 -40.779
  105   1HB   SER   5          2HB       SER   5  19.365  22.362 -39.266
  106   2HB   SER   5          3HB       SER   5  18.130  23.521 -38.815
  107    HG   SER   5           HG       SER   5  17.491  20.724 -38.819
  108    H    GLY   6           HN       GLY   6  15.132  22.040 -40.423
  109   1HA   GLY   6          1HA       GLY   6  14.193  24.603 -39.968
  110   2HA   GLY   6          2HA       GLY   6  14.255  24.415 -41.710
  111    H    GLN   7           HN       GLN   7  12.580  23.578 -38.763
  112    HA   GLN   7           HA       GLN   7  10.539  22.339 -40.371
  113   1HB   GLN   7          2HB       GLN   7  10.325  20.373 -38.914
  114   2HB   GLN   7          3HB       GLN   7  11.930  20.429 -39.615
  115   1HG   GLN   7          2HG       GLN   7  12.071  21.936 -37.187
  116   2HG   GLN   7          3HG       GLN   7  11.164  20.486 -36.807
  117   1HE2  GLN   7          1HE2      GLN   7  14.190  21.839 -37.226
  118   2HE2  GLN   7          2HE2      GLN   7  15.165  20.410 -37.298
  119    H    LYS   8           HN       LYS   8   8.496  21.928 -38.910
  120    HA   LYS   8           HA       LYS   8   8.434  23.910 -36.753
  121   1HB   LYS   8          2HB       LYS   8   7.411  24.482 -39.208
  122   2HB   LYS   8          3HB       LYS   8   6.015  23.735 -38.457
  123   1HG   LYS   8          2HG       LYS   8   6.102  25.296 -36.573
  124   2HG   LYS   8          3HG       LYS   8   7.637  25.945 -37.115
  125   1HD   LYS   8          2HD       LYS   8   6.174  27.556 -37.964
  126   2HD   LYS   8          3HD       LYS   8   6.313  26.492 -39.350
  127   1HE   LYS   8          2HE       LYS   8   4.121  25.863 -39.229
  128   2HE   LYS   8          3HE       LYS   8   4.201  25.599 -37.498
  129   1HZ   LYS   8          1HZ       LYS   8   4.172  28.094 -37.331
  130   2HZ   LYS   8          2HZ       LYS   8   3.726  28.122 -38.902
  131   3HZ   LYS   8          3HZ       LYS   8   2.776  27.384 -37.797
  132    H    GLN   9           HN       GLN   9   6.322  21.469 -38.435
  133    HA   GLN   9           HA       GLN   9   5.167  19.795 -37.678
  134   1HB   GLN   9          2HB       GLN   9   7.550  19.778 -35.997
  135   2HB   GLN   9          3HB       GLN   9   6.177  19.161 -35.100
  136   1HG   GLN   9          2HG       GLN   9   7.293  17.318 -36.294
  137   2HG   GLN   9          3HG       GLN   9   5.679  17.552 -36.936
  138   1HE2  GLN   9          1HE2      GLN   9   9.100  17.972 -37.464
  139   2HE2  GLN   9          2HE2      GLN   9   9.057  18.267 -39.170
  140    H    ASP  10           HN       ASP  10   3.316  21.259 -37.492
  141    HA   ASP  10           HA       ASP  10   2.755  22.766 -35.295
  142   1HB   ASP  10          2HB       ASP  10   0.625  21.223 -36.825
  143   2HB   ASP  10          3HB       ASP  10   0.481  22.810 -36.097
  144    H    ARG  11           HN       ARG  11   2.476  22.104 -33.159
  145    HA   ARG  11           HA       ARG  11   2.230  19.419 -32.508
  146   1HB   ARG  11          2HB       ARG  11   3.173  21.339 -31.072
  147   2HB   ARG  11          3HB       ARG  11   1.517  21.794 -30.720
  148   1HG   ARG  11          2HG       ARG  11   1.073  19.761 -29.546
  149   2HG   ARG  11          3HG       ARG  11   2.451  18.942 -30.256
  150   1HD   ARG  11          2HD       ARG  11   2.829  21.380 -28.473
  151   2HD   ARG  11          3HD       ARG  11   2.656  19.777 -27.785
  152    HE   ARG  11           HE       ARG  11   4.617  19.559 -29.811
  153   1HH1  ARG  11          2HH2      ARG  11   4.209  21.262 -26.758
  154   2HH1  ARG  11          1HH2      ARG  11   5.906  21.308 -26.412
  155   1HH2  ARG  11          2HH1      ARG  11   6.854  19.619 -29.352
  156   2HH2  ARG  11          1HH1      ARG  11   7.421  20.367 -27.897
  157    H    GLN  12           HN       GLN  12   0.395  18.244 -33.036
  158    HA   GLN  12           HA       GLN  12  -1.680  17.622 -33.151
  159   1HB   GLN  12          2HB       GLN  12  -1.452  18.860 -30.618
  160   2HB   GLN  12          3HB       GLN  12  -2.961  19.463 -31.272
  161   1HG   GLN  12          2HG       GLN  12  -3.592  17.451 -30.185
  162   2HG   GLN  12          3HG       GLN  12  -3.507  16.995 -31.875
  163   1HE2  GLN  12          1HE2      GLN  12  -1.497  17.230 -28.951
  164   2HE2  GLN  12          2HE2      GLN  12  -0.564  15.793 -29.205
  165    H    GLY  13           HN       GLY  13  -3.943  18.267 -33.869
  166   1HA   GLY  13          1HA       GLY  13  -4.248  21.015 -34.766
  167   2HA   GLY  13          2HA       GLY  13  -4.038  19.824 -36.035
  168    H    GLY  14           HN       GLY  14  -6.042  20.666 -33.155
  169   1HA   GLY  14          1HA       GLY  14  -8.493  20.329 -34.326
  170   2HA   GLY  14          2HA       GLY  14  -8.072  18.730 -33.741
  171    H    GLU  15           HN       GLU  15  -8.869  18.279 -31.741
  172    HA   GLU  15           HA       GLU  15  -8.371  19.999 -29.592
  173   1HB   GLU  15          2HB       GLU  15 -10.530  20.907 -30.967
  174   2HB   GLU  15          3HB       GLU  15 -11.336  19.734 -29.946
  175   1HG   GLU  15          2HG       GLU  15 -10.977  20.951 -28.027
  176   2HG   GLU  15          3HG       GLU  15  -9.361  21.430 -28.507
  177    H    ARG  16           HN       ARG  16  -8.635  18.889 -27.603
  178    HA   ARG  16           HA       ARG  16  -9.734  16.211 -27.922
  179   1HB   ARG  16          2HB       ARG  16  -7.105  17.106 -26.982
  180   2HB   ARG  16          3HB       ARG  16  -7.913  16.184 -25.729
  181   1HG   ARG  16          2HG       ARG  16  -6.833  14.492 -26.954
  182   2HG   ARG  16          3HG       ARG  16  -8.446  14.460 -27.639
  183   1HD   ARG  16          2HD       ARG  16  -7.736  15.237 -29.685
  184   2HD   ARG  16          3HD       ARG  16  -6.630  16.397 -28.976
  185    HE   ARG  16           HE       ARG  16  -5.920  13.813 -29.967
  186   1HH1  ARG  16          2HH2      ARG  16  -5.269  15.898 -27.207
  187   2HH1  ARG  16          1HH2      ARG  16  -3.697  15.233 -26.914
  188   1HH2  ARG  16          2HH1      ARG  16  -3.845  12.936 -29.580
  189   2HH2  ARG  16          1HH1      ARG  16  -2.881  13.538 -28.273
  190    H    ARG  17           HN       ARG  17 -11.182  15.507 -26.305
  191    HA   ARG  17           HA       ARG  17 -11.262  16.686 -23.783
  192   1HB   ARG  17          2HB       ARG  17 -12.431  18.378 -25.568
  193   2HB   ARG  17          3HB       ARG  17 -13.809  17.342 -25.250
  194   1HG   ARG  17          2HG       ARG  17 -13.357  17.710 -22.739
  195   2HG   ARG  17          3HG       ARG  17 -12.205  18.944 -23.210
  196   1HD   ARG  17          2HD       ARG  17 -14.588  19.475 -24.704
  197   2HD   ARG  17          3HD       ARG  17 -15.107  19.123 -23.067
  198    HE   ARG  17           HE       ARG  17 -12.935  20.844 -22.739
  199   1HH1  ARG  17          2HH2      ARG  17 -16.007  20.997 -24.447
  200   2HH1  ARG  17          1HH2      ARG  17 -16.149  22.717 -24.299
  201   1HH2  ARG  17          2HH1      ARG  17 -13.122  23.113 -22.543
  202   2HH2  ARG  17          1HH1      ARG  17 -14.497  23.929 -23.210
  203    H    ARG  18           HN       ARG  18 -13.787  15.564 -26.166
  204    HA   ARG  18           HA       ARG  18 -14.023  13.161 -24.563
  205   1HB   ARG  18          2HB       ARG  18 -16.422  14.751 -25.602
  206   2HB   ARG  18          3HB       ARG  18 -16.491  13.288 -24.639
  207   1HG   ARG  18          2HG       ARG  18 -14.824  15.086 -23.184
  208   2HG   ARG  18          3HG       ARG  18 -16.170  16.051 -23.756
  209   1HD   ARG  18          2HD       ARG  18 -17.677  14.076 -22.888
  210   2HD   ARG  18          3HD       ARG  18 -16.254  13.569 -22.002
  211    HE   ARG  18           HE       ARG  18 -16.466  15.442 -20.585
  212   1HH1  ARG  18          2HH2      ARG  18 -18.626  15.764 -23.344
  213   2HH1  ARG  18          1HH2      ARG  18 -19.482  17.115 -22.679
  214   1HH2  ARG  18          2HH1      ARG  18 -17.595  17.224 -19.707
  215   2HH2  ARG  18          1HH1      ARG  18 -18.891  17.951 -20.595
  216    H    SER  19           HN       SER  19 -14.883  14.957 -27.586
  217    HA   SER  19           HA       SER  19 -15.142  14.333 -29.649
  218   1HB   SER  19          2HB       SER  19 -12.759  13.312 -28.961
  219   2HB   SER  19          3HB       SER  19 -13.569  11.790 -29.274
  220    HG   SER  19           HG       SER  19 -12.763  13.805 -31.067
  221    H    GLN  20           HN       GLN  20 -17.344  13.706 -28.196
  222    HA   GLN  20           HA       GLN  20 -19.207  12.582 -28.527
  223   1HB   GLN  20          2HB       GLN  20 -17.744  11.602 -30.672
  224   2HB   GLN  20          3HB       GLN  20 -18.132  10.131 -29.801
  225   1HG   GLN  20          2HG       GLN  20 -20.495  10.526 -29.951
  226   2HG   GLN  20          3HG       GLN  20 -20.275  12.212 -30.373
  227   1HE2  GLN  20          1HE2      GLN  20 -20.783  12.615 -32.373
  228   2HE2  GLN  20          2HE2      GLN  20 -20.487  11.621 -33.761
  229    H    LEU  21           HN       LEU  21 -16.488  11.758 -26.822
  230    HA   LEU  21           HA       LEU  21 -17.182   9.206 -25.828
  231   1HB   LEU  21          2HB       LEU  21 -14.918  10.007 -25.782
  232   2HB   LEU  21          3HB       LEU  21 -15.368  11.389 -24.803
  233    HG   LEU  21           HG       LEU  21 -14.227   9.237 -23.765
  234   1HD1  LEU  21          1HD1      LEU  21 -14.768  10.056 -21.694
  235   2HD1  LEU  21          2HD1      LEU  21 -15.200  11.447 -22.718
  236   3HD1  LEU  21          3HD1      LEU  21 -16.470  10.350 -22.125
  237   1HD2  LEU  21          1HD2      LEU  21 -17.111   8.509 -23.283
  238   2HD2  LEU  21          2HD2      LEU  21 -16.191   7.826 -24.645
  239   3HD2  LEU  21          3HD2      LEU  21 -15.639   7.556 -22.975
  240    H    ASP  22           HN       ASP  22 -19.438   9.298 -25.329
  241    HA   ASP  22           HA       ASP  22 -20.643  11.210 -23.834
  242   1HB   ASP  22          2HB       ASP  22 -21.541   9.018 -25.010
  243   2HB   ASP  22          3HB       ASP  22 -21.286   8.268 -23.447
  244    H    ARG  23           HN       ARG  23 -21.372  11.084 -21.473
  245    HA   ARG  23           HA       ARG  23 -19.164  10.655 -19.835
  246   1HB   ARG  23          2HB       ARG  23 -22.056  11.410 -19.441
  247   2HB   ARG  23          3HB       ARG  23 -21.177  10.872 -18.023
  248   1HG   ARG  23          2HG       ARG  23 -20.223  13.094 -19.891
  249   2HG   ARG  23          3HG       ARG  23 -21.087  13.373 -18.392
  250   1HD   ARG  23          2HD       ARG  23 -18.718  11.580 -18.126
  251   2HD   ARG  23          3HD       ARG  23 -18.332  13.221 -18.611
  252    HE   ARG  23           HE       ARG  23 -20.139  13.549 -16.514
  253   1HH1  ARG  23          2HH2      ARG  23 -17.059  11.892 -16.903
  254   2HH1  ARG  23          1HH2      ARG  23 -16.600  12.085 -15.244
  255   1HH2  ARG  23          2HH1      ARG  23 -19.534  13.804 -14.326
  256   2HH2  ARG  23          1HH1      ARG  23 -18.018  13.180 -13.768
  257    H    ASP  24           HN       ASP  24 -21.309   8.448 -21.233
  258    HA   ASP  24           HA       ASP  24 -20.838   6.573 -19.050
  259   1HB   ASP  24          2HB       ASP  24 -23.151   6.421 -21.028
  260   2HB   ASP  24          3HB       ASP  24 -22.947   5.482 -19.563
  261    H    GLN  25           HN       GLN  25 -19.255   7.320 -21.541
  262    HA   GLN  25           HA       GLN  25 -19.529   4.805 -22.989
  263   1HB   GLN  25          2HB       GLN  25 -18.862   7.593 -23.828
  264   2HB   GLN  25          3HB       GLN  25 -17.933   6.329 -24.608
  265   1HG   GLN  25          2HG       GLN  25 -20.181   5.147 -25.083
  266   2HG   GLN  25          3HG       GLN  25 -20.967   6.623 -24.560
  267   1HE2  GLN  25          1HE2      GLN  25 -19.229   5.014 -27.035
  268   2HE2  GLN  25          2HE2      GLN  25 -19.227   6.266 -28.232
  269    H    CYS  26           HN       CYS  26 -17.209   4.241 -24.083
  270    HA   CYS  26           HA       CYS  26 -15.316   4.345 -21.851
  271   1HB   CYS  26          2HB       CYS  26 -16.030   2.080 -22.255
  272   2HB   CYS  26          3HB       CYS  26 -15.742   2.226 -23.977
  273    H    ALA  27           HN       ALA  27 -13.250   5.182 -22.262
  274    HA   ALA  27           HA       ALA  27 -12.866   6.244 -24.966
  275   1HB   ALA  27          1HB       ALA  27 -10.958   7.424 -23.393
  276   2HB   ALA  27          2HB       ALA  27 -12.580   8.097 -23.679
  277   3HB   ALA  27          3HB       ALA  27 -12.257   7.148 -22.208
  278    H    TYR  28           HN       TYR  28 -12.495   3.434 -24.519
  279    HA   TYR  28           HA       TYR  28  -9.594   3.304 -24.935
  280   1HB   TYR  28          2HB       TYR  28 -10.785   2.500 -22.620
  281   2HB   TYR  28          3HB       TYR  28 -11.218   1.104 -23.585
  282    HD1  TYR  28           HD1      TYR  28  -8.139   3.183 -22.992
  283    HD2  TYR  28           HD2      TYR  28  -9.830  -0.731 -23.359
  284    HE1  TYR  28           HE1      TYR  28  -5.864   2.147 -22.528
  285    HE2  TYR  28           HE2      TYR  28  -7.549  -1.752 -22.895
  286    HH   TYR  28           HH       TYR  28  -5.324  -1.268 -22.917
  287    H    CYS  29           HN       CYS  29 -12.720   1.455 -25.125
  288    HA   CYS  29           HA       CYS  29 -11.701   0.314 -27.621
  289   1HB   CYS  29          2HB       CYS  29 -13.260  -1.529 -27.280
  290   2HB   CYS  29          3HB       CYS  29 -12.203  -1.357 -25.894
  291    H    LYS  30           HN       LYS  30 -14.011   2.438 -26.077
  292    HA   LYS  30           HA       LYS  30 -15.324   3.950 -27.113
  293   1HB   LYS  30          2HB       LYS  30 -15.396   2.304 -29.641
  294   2HB   LYS  30          3HB       LYS  30 -15.723   4.013 -29.440
  295   1HG   LYS  30          2HG       LYS  30 -13.064   3.479 -28.431
  296   2HG   LYS  30          3HG       LYS  30 -13.205   2.741 -30.014
  297   1HD   LYS  30          2HD       LYS  30 -12.538   4.921 -30.575
  298   2HD   LYS  30          3HD       LYS  30 -14.279   5.037 -30.736
  299   1HE   LYS  30          2HE       LYS  30 -12.974   5.665 -28.070
  300   2HE   LYS  30          3HE       LYS  30 -12.966   6.868 -29.345
  301   1HZ   LYS  30          1HZ       LYS  30 -14.889   7.062 -27.919
  302   2HZ   LYS  30          2HZ       LYS  30 -15.349   6.714 -29.447
  303   3HZ   LYS  30          3HZ       LYS  30 -15.378   5.551 -28.301
  304    H    GLU  31           HN       GLU  31 -15.867   1.356 -25.634
  305    HA   GLU  31           HA       GLU  31 -18.360   0.496 -26.714
  306   1HB   GLU  31          2HB       GLU  31 -16.968  -1.138 -25.580
  307   2HB   GLU  31          3HB       GLU  31 -16.867  -0.147 -24.139
  308   1HG   GLU  31          2HG       GLU  31 -19.566  -1.083 -25.175
  309   2HG   GLU  31          3HG       GLU  31 -18.577  -2.144 -24.190
  310    H    LYS  32           HN       LYS  32 -20.439   0.613 -25.496
  311    HA   LYS  32           HA       LYS  32 -20.547   3.078 -23.901
  312   1HB   LYS  32          2HB       LYS  32 -21.627   3.081 -26.214
  313   2HB   LYS  32          3HB       LYS  32 -22.795   1.941 -25.576
  314   1HG   LYS  32          2HG       LYS  32 -22.532   4.104 -23.677
  315   2HG   LYS  32          3HG       LYS  32 -22.749   4.806 -25.268
  316   1HD   LYS  32          2HD       LYS  32 -24.801   3.510 -25.632
  317   2HD   LYS  32          3HD       LYS  32 -24.541   2.597 -24.159
  318   1HE   LYS  32          2HE       LYS  32 -24.495   5.099 -23.097
  319   2HE   LYS  32          3HE       LYS  32 -25.497   5.427 -24.498
  320   1HZ   LYS  32          1HZ       LYS  32 -26.538   4.566 -22.320
  321   2HZ   LYS  32          2HZ       LYS  32 -27.112   4.035 -23.754
  322   3HZ   LYS  32          3HZ       LYS  32 -26.104   3.094 -22.876
  323    H    GLY  33           HN       GLY  33 -20.877   2.707 -21.782
  324   1HA   GLY  33          1HA       GLY  33 -22.799   1.709 -20.408
  325   2HA   GLY  33          2HA       GLY  33 -22.197   0.183 -21.023
  326    H    HIS  34           HN       HIS  34 -19.414   0.523 -20.999
  327    HA   HIS  34           HA       HIS  34 -18.962   0.824 -18.125
  328   1HB   HIS  34          2HB       HIS  34 -17.206  -0.771 -18.317
  329   2HB   HIS  34          3HB       HIS  34 -18.615  -1.432 -19.121
  330    HD1  HIS  34           HD1      HIS  34 -18.116  -2.485 -21.322
  331    HD2  HIS  34           HD2      HIS  34 -15.407   0.583 -20.401
  332    HE1  HIS  34           HE1      HIS  34 -16.422  -2.428 -23.231
  333    H    TRP  35           HN       TRP  35 -16.649   1.564 -17.560
  334    HA   TRP  35           HA       TRP  35 -16.042   3.840 -19.301
  335   1HB   TRP  35          2HB       TRP  35 -15.842   3.317 -16.376
  336   2HB   TRP  35          3HB       TRP  35 -14.632   4.360 -17.096
  337    HD1  TRP  35           HD1      TRP  35 -18.404   4.341 -18.076
  338    HE1  TRP  35           HE1      TRP  35 -19.486   6.711 -17.660
  339    HE3  TRP  35           HE3      TRP  35 -14.295   6.418 -15.917
  340    HZ2  TRP  35           HZ2      TRP  35 -18.523   9.135 -16.498
  341    HZ3  TRP  35           HZ3      TRP  35 -14.450   8.790 -15.171
  342    HH2  TRP  35           HH2      TRP  35 -16.472  10.140 -15.432
  343    H    ALA  36           HN       ALA  36 -13.602   4.374 -19.403
  344    HA   ALA  36           HA       ALA  36 -12.253   2.263 -20.572
  345   1HB   ALA  36          1HB       ALA  36 -10.235   3.848 -20.174
  346   2HB   ALA  36          2HB       ALA  36 -11.595   4.453 -21.149
  347   3HB   ALA  36          3HB       ALA  36 -11.428   4.951 -19.448
  348    H    LYS  37           HN       LYS  37 -11.972   3.660 -17.238
  349    HA   LYS  37           HA       LYS  37  -9.950   1.899 -16.422
  350   1HB   LYS  37          2HB       LYS  37  -9.999   3.126 -14.550
  351   2HB   LYS  37          3HB       LYS  37 -11.132   4.149 -15.410
  352   1HG   LYS  37          2HG       LYS  37 -11.968   1.749 -13.714
  353   2HG   LYS  37          3HG       LYS  37 -11.921   3.395 -13.112
  354   1HD   LYS  37          2HD       LYS  37 -13.492   2.705 -15.622
  355   2HD   LYS  37          3HD       LYS  37 -14.192   2.462 -14.033
  356   1HE   LYS  37          2HE       LYS  37 -13.063   5.119 -15.040
  357   2HE   LYS  37          3HE       LYS  37 -14.766   4.702 -15.030
  358   1HZ   LYS  37          1HZ       LYS  37 -14.361   5.872 -13.076
  359   2HZ   LYS  37          2HZ       LYS  37 -14.460   4.316 -12.591
  360   3HZ   LYS  37          3HZ       LYS  37 -13.002   5.040 -12.716
  361    H    ASP  38           HN       ASP  38 -13.243   1.366 -17.208
  362    HA   ASP  38           HA       ASP  38 -13.204  -1.058 -15.587
  363   1HB   ASP  38          2HB       ASP  38 -15.115   0.921 -15.576
  364   2HB   ASP  38          3HB       ASP  38 -15.769  -0.131 -16.815
  365    H    CYS  39           HN       CYS  39 -12.204  -0.200 -18.463
  366    HA   CYS  39           HA       CYS  39 -13.889  -1.516 -20.292
  367   1HB   CYS  39          2HB       CYS  39 -12.244   0.268 -20.891
  368   2HB   CYS  39          3HB       CYS  39 -10.938  -0.860 -20.580
  369    HA   PRO  40           HA       PRO  40 -12.568  -5.553 -19.168
  370   1HB   PRO  40          2HB       PRO  40 -14.171  -6.955 -20.880
  371   2HB   PRO  40          3HB       PRO  40 -14.708  -6.390 -19.312
  372   1HG   PRO  40          2HG       PRO  40 -15.354  -5.316 -21.988
  373   2HG   PRO  40          3HG       PRO  40 -16.189  -5.055 -20.470
  374   1HD   PRO  40          2HD       PRO  40 -14.428  -3.221 -21.798
  375   2HD   PRO  40          3HD       PRO  40 -15.170  -3.008 -20.225
  376    H    LYS  41           HN       LYS  41 -11.792  -3.847 -21.817
  377    HA   LYS  41           HA       LYS  41 -10.603  -6.061 -23.244
  378   1HB   LYS  41          2HB       LYS  41 -11.739  -4.018 -24.298
  379   2HB   LYS  41          3HB       LYS  41 -10.308  -3.113 -23.847
  380   1HG   LYS  41          2HG       LYS  41  -9.085  -5.233 -25.021
  381   2HG   LYS  41          3HG       LYS  41 -10.609  -5.307 -25.882
  382   1HD   LYS  41          2HD       LYS  41 -10.120  -3.457 -27.120
  383   2HD   LYS  41          3HD       LYS  41  -9.623  -2.545 -25.709
  384   1HE   LYS  41          2HE       LYS  41  -7.604  -2.695 -26.901
  385   2HE   LYS  41          3HE       LYS  41  -7.453  -4.043 -25.790
  386   1HZ   LYS  41          1HZ       LYS  41  -8.787  -5.054 -27.926
  387   2HZ   LYS  41          2HZ       LYS  41  -7.663  -4.082 -28.602
  388   3HZ   LYS  41          3HZ       LYS  41  -7.206  -5.276 -27.585
  389    H    LYS  42           HN       LYS  42  -9.824  -3.871 -20.667
  390    HA   LYS  42           HA       LYS  42  -7.061  -3.651 -21.106
  391   1HB   LYS  42          2HB       LYS  42  -8.935  -3.214 -18.816
  392   2HB   LYS  42          3HB       LYS  42  -7.222  -3.323 -18.465
  393   1HG   LYS  42          2HG       LYS  42  -6.806  -1.575 -20.269
  394   2HG   LYS  42          3HG       LYS  42  -8.541  -1.403 -20.440
  395   1HD   LYS  42          2HD       LYS  42  -8.716  -0.771 -18.022
  396   2HD   LYS  42          3HD       LYS  42  -6.980  -0.940 -17.854
  397   1HE   LYS  42          2HE       LYS  42  -6.541   1.051 -18.934
  398   2HE   LYS  42          3HE       LYS  42  -7.827   0.826 -20.101
  399   1HZ   LYS  42          1HZ       LYS  42  -8.517   2.552 -18.749
  400   2HZ   LYS  42          2HZ       LYS  42  -9.358   1.279 -18.169
  401   3HZ   LYS  42          3HZ       LYS  42  -8.049   1.827 -17.363
  402    HA   PRO  43           HA       PRO  43  -6.170  -7.841 -20.183
  403   1HB   PRO  43          2HB       PRO  43  -3.592  -7.826 -21.091
  404   2HB   PRO  43          3HB       PRO  43  -4.970  -8.138 -22.127
  405   1HG   PRO  43          2HG       PRO  43  -3.318  -5.695 -21.926
  406   2HG   PRO  43          3HG       PRO  43  -4.401  -6.185 -23.214
  407   1HD   PRO  43          2HD       PRO  43  -4.913  -4.208 -21.200
  408   2HD   PRO  43          3HD       PRO  43  -6.037  -4.781 -22.417
  409    H    ARG  44           HN       ARG  44  -3.508  -5.577 -19.613
  410    HA   ARG  44           HA       ARG  44  -3.747  -5.918 -16.848
  411   1HB   ARG  44          2HB       ARG  44  -2.529  -8.102 -17.869
  412   2HB   ARG  44          3HB       ARG  44  -1.125  -7.054 -17.832
  413   1HG   ARG  44          2HG       ARG  44  -0.897  -7.648 -15.648
  414   2HG   ARG  44          3HG       ARG  44  -2.269  -6.606 -15.324
  415   1HD   ARG  44          2HD       ARG  44  -3.824  -8.534 -15.672
  416   2HD   ARG  44          3HD       ARG  44  -2.461  -9.578 -16.020
  417    HE   ARG  44           HE       ARG  44  -1.758  -8.593 -13.570
  418   1HH1  ARG  44          2HH2      ARG  44  -4.775  -9.966 -14.752
  419   2HH1  ARG  44          1HH2      ARG  44  -5.245 -10.592 -13.205
  420   1HH2  ARG  44          2HH1      ARG  44  -2.377  -9.418 -11.530
  421   2HH2  ARG  44          1HH1      ARG  44  -3.871 -10.277 -11.361
  422    H    GLY  45           HN       GLY  45  -2.516  -4.296 -15.757
  423   1HA   GLY  45          1HA       GLY  45  -0.674  -2.728 -17.457
  424   2HA   GLY  45          2HA       GLY  45  -1.930  -1.964 -16.501
  425    HA   PRO  46           HA       PRO  46  -0.454  -0.492 -16.498
  426   1HB   PRO  46          2HB       PRO  46   1.855   0.956 -16.302
  427   2HB   PRO  46          3HB       PRO  46   0.476   1.202 -15.249
  428   1HG   PRO  46          2HG       PRO  46   3.046  -0.133 -14.656
  429   2HG   PRO  46          3HG       PRO  46   1.851   0.495 -13.539
  430   1HD   PRO  46          2HD       PRO  46   2.285  -2.257 -14.220
  431   2HD   PRO  46          3HD       PRO  46   1.017  -1.619 -13.192
  432    H    ARG  47           HN       ARG  47   2.542  -2.281 -16.459
  433    HA   ARG  47           HA       ARG  47   2.227  -2.546 -19.304
  434   1HB   ARG  47          2HB       ARG  47   4.549  -1.172 -17.944
  435   2HB   ARG  47          3HB       ARG  47   4.904  -2.175 -19.337
  436   1HG   ARG  47          2HG       ARG  47   3.967  -0.689 -20.803
  437   2HG   ARG  47          3HG       ARG  47   2.574  -0.409 -19.778
  438   1HD   ARG  47          2HD       ARG  47   3.495   1.466 -18.833
  439   2HD   ARG  47          3HD       ARG  47   5.064   0.710 -18.634
  440    HE   ARG  47           HE       ARG  47   5.734   1.543 -20.738
  441   1HH1  ARG  47          2HH2      ARG  47   2.274   2.010 -20.296
  442   2HH1  ARG  47          1HH2      ARG  47   2.107   3.044 -21.676
  443   1HH2  ARG  47          2HH1      ARG  47   5.515   2.907 -22.558
  444   2HH2  ARG  47          1HH1      ARG  47   3.963   3.558 -22.971
  445    H    GLY  48           HN       GLY  48   1.793  -4.786 -18.950
  446   1HA   GLY  48          1HA       GLY  48   3.213  -6.451 -17.208
  447   2HA   GLY  48          2HA       GLY  48   2.261  -6.954 -18.590
  448    HA   PRO  49           HA       PRO  49   6.844  -7.360 -19.396
  449   1HB   PRO  49          2HB       PRO  49   7.413  -9.884 -18.518
  450   2HB   PRO  49          3HB       PRO  49   7.762  -8.443 -17.584
  451   1HG   PRO  49          2HG       PRO  49   5.603 -10.426 -17.196
  452   2HG   PRO  49          3HG       PRO  49   6.227  -9.245 -16.061
  453   1HD   PRO  49          2HD       PRO  49   3.774  -9.076 -17.540
  454   2HD   PRO  49          3HD       PRO  49   4.454  -7.845 -16.494
  455    H    ARG  50           HN       ARG  50   7.985  -8.788 -20.978
  456    HA   ARG  50           HA       ARG  50   6.413 -10.735 -22.218
  457   1HB   ARG  50          2HB       ARG  50   5.503  -8.303 -22.973
  458   2HB   ARG  50          3HB       ARG  50   6.849  -8.405 -24.088
  459   1HG   ARG  50          2HG       ARG  50   5.456  -9.596 -25.438
  460   2HG   ARG  50          3HG       ARG  50   5.713 -10.933 -24.334
  461   1HD   ARG  50          2HD       ARG  50   3.747  -9.516 -22.994
  462   2HD   ARG  50          3HD       ARG  50   3.322  -9.183 -24.661
  463    HE   ARG  50           HE       ARG  50   3.737 -11.892 -24.729
  464   1HH1  ARG  50          2HH2      ARG  50   1.850  -9.850 -22.572
  465   2HH1  ARG  50          1HH2      ARG  50   0.679 -11.078 -22.226
  466   1HH2  ARG  50          2HH1      ARG  50   2.192 -13.513 -24.271
  467   2HH2  ARG  50          1HH1      ARG  50   0.875 -13.176 -23.199
  468    HA   PRO  51           HA       PRO  51  10.794 -11.042 -23.093
  469   1HB   PRO  51          2HB       PRO  51  10.973 -13.759 -22.867
  470   2HB   PRO  51          3HB       PRO  51  11.211 -12.667 -21.517
  471   1HG   PRO  51          2HG       PRO  51   8.883 -14.385 -22.124
  472   2HG   PRO  51          3HG       PRO  51   9.325 -13.630 -20.604
  473   1HD   PRO  51          2HD       PRO  51   7.277 -12.768 -22.418
  474   2HD   PRO  51          3HD       PRO  51   7.796 -11.950 -20.958
  475    H    GLN  52           HN       GLN  52  11.924 -11.256 -24.973
  476    HA   GLN  52           HA       GLN  52  11.016 -13.088 -26.893
  477   1HB   GLN  52          2HB       GLN  52   9.610 -10.626 -26.884
  478   2HB   GLN  52          3HB       GLN  52  10.736 -10.501 -28.220
  479   1HG   GLN  52          2HG       GLN  52   9.877 -13.013 -28.706
  480   2HG   GLN  52          3HG       GLN  52   8.474 -12.452 -27.818
  481   1HE2  GLN  52          1HE2      GLN  52   6.930 -11.864 -29.123
  482   2HE2  GLN  52          2HE2      GLN  52   7.077 -10.955 -30.591
  483    H    THR  53           HN       THR  53  12.848 -13.681 -27.975
  484    HA   THR  53           HA       THR  53  14.901 -11.610 -28.370
  485    HB   THR  53           HB       THR  53  16.585 -13.381 -27.796
  486    HG1  THR  53           HG1      THR  53  15.432 -15.313 -26.736
  487   1HG2  THR  53          1HG2      THR  53  15.584 -13.876 -25.344
  488   2HG2  THR  53          2HG2      THR  53  16.181 -12.255 -25.776
  489   3HG2  THR  53          3HG2      THR  53  14.436 -12.602 -25.819
  490    H    SER  54           HN       SER  54  16.259 -11.875 -30.225
  491    HA   SER  54           HA       SER  54  15.495 -13.954 -32.047
  492   1HB   SER  54          2HB       SER  54  14.323 -11.349 -32.246
  493   2HB   SER  54          3HB       SER  54  15.481 -11.477 -33.554
  494    HG   SER  54           HG       SER  54  14.072 -12.703 -34.580
  495    H    LEU  55           HN       LEU  55  17.020 -14.048 -33.944
  496    HA   LEU  55           HA       LEU  55  19.634 -13.132 -33.097
  497   1HB   LEU  55          2HB       LEU  55  19.137 -15.488 -33.786
  498   2HB   LEU  55          3HB       LEU  55  18.871 -14.906 -35.417
  499    HG   LEU  55           HG       LEU  55  21.458 -14.109 -34.227
  500   1HD1  LEU  55          1HD1      LEU  55  21.059 -17.006 -35.004
  501   2HD1  LEU  55          2HD1      LEU  55  22.524 -16.232 -34.353
  502   3HD1  LEU  55          3HD1      LEU  55  21.088 -16.426 -33.320
  503   1HD2  LEU  55          1HD2      LEU  55  22.273 -14.403 -36.405
  504   2HD2  LEU  55          2HD2      LEU  55  20.940 -15.494 -36.856
  505   3HD2  LEU  55          3HD2      LEU  55  20.627 -13.758 -36.620
  506    H    LEU  56           HN       LEU  56  21.132 -12.129 -34.715
  507    HA   LEU  56           HA       LEU  56  19.609 -10.199 -36.303
  508   1HB   LEU  56          2HB       LEU  56  21.625  -9.885 -34.426
  509   2HB   LEU  56          3HB       LEU  56  22.460  -9.702 -35.956
  510    HG   LEU  56           HG       LEU  56  19.925  -8.189 -35.718
  511   1HD1  LEU  56          1HD1      LEU  56  21.422  -6.378 -34.469
  512   2HD1  LEU  56          2HD1      LEU  56  20.419  -7.556 -33.590
  513   3HD1  LEU  56          3HD1      LEU  56  22.165  -7.843 -33.784
  514   1HD2  LEU  56          1HD2      LEU  56  20.919  -7.478 -37.601
  515   2HD2  LEU  56          2HD2      LEU  56  21.863  -6.444 -36.502
  516   3HD2  LEU  56          3HD2      LEU  56  22.538  -7.992 -37.067
  Start of MODEL   14
    1   1H5*    U 517          1H5*        U 517  -2.101   0.876 -31.812
    2   2H5*    U 517          2H5*        U 517  -2.698   0.927 -30.154
    3    H4*    U 517           H4*        U 517  -3.817   2.312 -32.128
    4    H3*    U 517           H3*        U 517  -5.131   1.066 -29.721
    5    H2*    U 517           H2*        U 517  -7.212   1.912 -30.420
    6   2HO*    U 517          2HO*        U 517  -6.661   3.364 -32.565
    7    H1*    U 517           H1*        U 517  -6.575   1.361 -33.197
    8    H3     U 517           H3         U 517 -10.585  -0.696 -32.399
    9    H5     U 517           H5         U 517  -7.716  -3.205 -30.664
   10    H6     U 517           H6         U 517  -6.065  -1.441 -31.084
   11   1H5*    U 518          1H5*        U 518  -4.697   5.240 -29.603
   12   2H5*    U 518          2H5*        U 518  -4.541   6.331 -28.226
   13    H4*    U 518           H4*        U 518  -6.771   6.530 -28.619
   14    H3*    U 518           H3*        U 518  -6.539   4.167 -26.749
   15    H2*    U 518           H2*        U 518  -8.893   4.083 -26.655
   16   2HO*    U 518          2HO*        U 518  -8.975   6.412 -26.478
   17    H1*    U 518           H1*        U 518  -9.080   4.683 -29.482
   18    H3     U 518           H3         U 518 -11.098   0.729 -29.952
   19    H5     U 518           H5         U 518  -7.686  -0.278 -27.744
   20    H6     U 518           H6         U 518  -7.116   2.107 -27.722
   21   1H5*    U 519          1H5*        U 519  -8.286   6.513 -24.524
   22   2H5*    U 519          2H5*        U 519  -7.870   8.164 -24.064
   23    H4*    U 519           H4*        U 519  -9.289   7.323 -22.375
   24    H3*    U 519           H3*        U 519  -6.405   7.450 -21.532
   25    H2*    U 519           H2*        U 519  -7.027   6.779 -19.334
   26   2HO*    U 519          2HO*        U 519  -8.993   8.035 -19.473
   27    H1*    U 519           H1*        U 519  -8.568   4.629 -20.247
   28    H3     U 519           H3         U 519  -4.665   3.180 -18.201
   29    H5     U 519           H5         U 519  -3.816   3.512 -22.288
   30    H6     U 519           H6         U 519  -5.970   4.657 -22.542
   31   1H5*    U 520          1H5*        U 520  -4.688  11.813 -20.409
   32   2H5*    U 520          2H5*        U 520  -5.950  12.024 -19.196
   33    H4*    U 520           H4*        U 520  -5.401  14.073 -20.506
   34    H3*    U 520           H3*        U 520  -8.201  12.991 -20.400
   35    H2*    U 520           H2*        U 520  -8.982  14.799 -21.695
   36   2HO*    U 520          2HO*        U 520  -7.930  16.608 -21.126
   37    H1*    U 520           H1*        U 520  -6.661  14.676 -23.407
   38    H3     U 520           H3         U 520  -9.869  14.052 -26.506
   39    H5     U 520           H5         U 520 -10.236  10.673 -24.058
   40    H6     U 520           H6         U 520  -8.557  11.682 -22.583
   41   1H5*    G 521          1H5*        G 521  -9.967  11.935 -17.747
   42   2H5*    G 521          2H5*        G 521 -10.589  12.466 -19.309
   43    H4*    G 521           H4*        G 521 -11.843  14.027 -17.269
   44    H3*    G 521           H3*        G 521 -11.462  11.217 -16.465
   45    H2*    G 521           H2*        G 521 -13.758  10.756 -16.152
   46   2HO*    G 521          2HO*        G 521 -14.762  13.202 -16.903
   47    H1*    G 521           H1*        G 521 -14.618  11.712 -18.562
   48    H8     G 521           H8         G 521 -11.112  10.205 -18.149
   49    H1     G 521           H1         G 521 -15.526   6.312 -20.840
   50   1H2     G 521          1H2         G 521 -17.354   7.266 -20.880
   51   2H2     G 521          2H2         G 521 -17.646   8.881 -20.275
   52   1H5*    C 522          1H5*        C 522 -11.419  14.699 -12.559
   53   2H5*    C 522          2H5*        C 522 -10.540  13.381 -11.785
   54    H4*    C 522           H4*        C 522 -11.750  14.899 -10.218
   55    H3*    C 522           H3*        C 522 -12.305  11.939 -10.237
   56    H2*    C 522           H2*        C 522 -13.706  12.206  -8.341
   57   2HO*    C 522          2HO*        C 522 -13.424  14.055  -7.113
   58    H1*    C 522           H1*        C 522 -15.024  14.449  -9.444
   59   1H4     C 522          1H4         C 522 -18.801   9.382 -10.516
   60   2H4     C 522          2H4         C 522 -18.027   9.199 -12.075
   61    H5     C 522           H5         C 522 -16.161  10.466 -12.773
   62    H6     C 522           H6         C 522 -14.561  12.239 -12.141
   63   1H5*    U 523          1H5*        U 523  -8.008  12.911  -9.801
   64   2H5*    U 523          2H5*        U 523  -7.790  11.162  -9.751
   65    H4*    U 523           H4*        U 523  -5.784  12.656  -9.199
   66    H3*    U 523           H3*        U 523  -6.642  10.309  -7.511
   67    H2*    U 523           H2*        U 523  -4.694  10.587  -6.200
   68   2HO*    U 523          2HO*        U 523  -3.332  11.004  -7.977
   69    H1*    U 523           H1*        U 523  -5.012  13.437  -6.172
   70    H3     U 523           H3         U 523  -5.171  12.191  -1.788
   71    H5     U 523           H5         U 523  -8.924  11.138  -3.319
   72    H6     U 523           H6         U 523  -8.059  11.686  -5.547
   73   1H    ALA   1           HN       ALA   1 -10.490   3.928  12.889
   74    HA   ALA   1           HA       ALA   1 -10.369   3.721   9.963
   75   1HB   ALA   1          1HB       ALA   1 -12.674   3.282  10.814
   76   2HB   ALA   1          2HB       ALA   1 -12.655   4.873  11.611
   77   3HB   ALA   1          3HB       ALA   1 -12.573   4.767   9.836
   78    H    THR   2           HN       THR   2  -9.090   5.301   9.158
   79    HA   THR   2           HA       THR   2  -8.974   7.823  10.678
   80    HB   THR   2           HB       THR   2  -6.882   6.567  10.973
   81    HG1  THR   2           HG1      THR   2  -7.019   8.952  10.239
   82   1HG2  THR   2          1HG2      THR   2  -5.559   6.394   8.620
   83   2HG2  THR   2          2HG2      THR   2  -6.537   5.038   9.233
   84   3HG2  THR   2          3HG2      THR   2  -7.208   6.136   8.004
   85    H    VAL   3           HN       VAL   3  -9.108   9.741   9.559
   86    HA   VAL   3           HA       VAL   3  -9.311   9.515   6.651
   87    HB   VAL   3           HB       VAL   3 -11.571   9.366   7.685
   88   1HG1  VAL   3          1HG1      VAL   3 -12.543  11.119   8.910
   89   2HG1  VAL   3          2HG1      VAL   3 -10.914  10.954   9.606
   90   3HG1  VAL   3          3HG1      VAL   3 -11.261  12.269   8.460
   91   1HG2  VAL   3          1HG2      VAL   3 -12.588  11.152   6.267
   92   2HG2  VAL   3          2HG2      VAL   3 -10.959  11.818   6.003
   93   3HG2  VAL   3          3HG2      VAL   3 -11.357  10.183   5.422
   94    H    VAL   4           HN       VAL   4  -7.837  10.876   5.795
   95    HA   VAL   4           HA       VAL   4  -7.491  13.465   7.111
   96    HB   VAL   4           HB       VAL   4  -5.064  13.289   6.808
   97   1HG1  VAL   4          1HG1      VAL   4  -6.615  12.164   8.818
   98   2HG1  VAL   4          2HG1      VAL   4  -5.441  10.883   8.430
   99   3HG1  VAL   4          3HG1      VAL   4  -4.870  12.503   8.897
  100   1HG2  VAL   4          1HG2      VAL   4  -4.681  10.484   6.623
  101   2HG2  VAL   4          2HG2      VAL   4  -5.773  10.946   5.296
  102   3HG2  VAL   4          3HG2      VAL   4  -4.189  11.741   5.462
  103    H    SER   5           HN       SER   5  -8.022  14.991   5.644
  104    HA   SER   5           HA       SER   5  -7.106  14.538   2.927
  105   1HB   SER   5          2HB       SER   5  -9.226  15.217   1.971
  106   2HB   SER   5          3HB       SER   5  -9.537  13.907   3.093
  107    HG   SER   5           HG       SER   5 -10.896  16.032   3.133
  108    H    GLY   6           HN       GLY   6  -7.198  16.678   1.624
  109   1HA   GLY   6          1HA       GLY   6  -6.390  18.863   3.422
  110   2HA   GLY   6          2HA       GLY   6  -5.928  18.660   1.745
  111    H    GLN   7           HN       GLN   7  -6.652  20.802   1.190
  112    HA   GLN   7           HA       GLN   7  -9.388  20.843   0.475
  113   1HB   GLN   7          2HB       GLN   7 -10.054  22.839   1.735
  114   2HB   GLN   7          3HB       GLN   7  -9.576  21.570   2.843
  115   1HG   GLN   7          2HG       GLN   7  -7.208  22.662   2.797
  116   2HG   GLN   7          3HG       GLN   7  -7.986  24.036   2.040
  117   1HE2  GLN   7          1HE2      GLN   7  -8.753  25.551   3.298
  118   2HE2  GLN   7          2HE2      GLN   7  -9.168  25.413   4.974
  119    H    LYS   8           HN       LYS   8  -9.908  22.921  -0.784
  120    HA   LYS   8           HA       LYS   8  -9.410  24.310  -2.425
  121   1HB   LYS   8          2HB       LYS   8  -7.408  24.916  -0.346
  122   2HB   LYS   8          3HB       LYS   8  -6.961  25.455  -1.951
  123   1HG   LYS   8          2HG       LYS   8  -8.261  27.274  -1.466
  124   2HG   LYS   8          3HG       LYS   8  -9.597  26.227  -1.904
  125   1HD   LYS   8          2HD       LYS   8  -9.996  25.623   0.420
  126   2HD   LYS   8          3HD       LYS   8  -8.506  26.384   0.939
  127   1HE   LYS   8          2HE       LYS   8  -9.391  28.526   0.837
  128   2HE   LYS   8          3HE       LYS   8 -10.415  28.157  -0.537
  129   1HZ   LYS   8          1HZ       LYS   8 -12.009  28.097   0.983
  130   2HZ   LYS   8          2HZ       LYS   8 -11.449  26.617   1.387
  131   3HZ   LYS   8          3HZ       LYS   8 -10.986  27.927   2.245
  132    H    GLN   9           HN       GLN   9  -9.343  22.487  -3.901
  133    HA   GLN   9           HA       GLN   9  -6.617  22.040  -4.827
  134   1HB   GLN   9          2HB       GLN   9  -8.568  20.080  -3.903
  135   2HB   GLN   9          3HB       GLN   9  -8.154  19.773  -5.577
  136   1HG   GLN   9          2HG       GLN   9  -5.775  20.440  -3.977
  137   2HG   GLN   9          3HG       GLN   9  -6.629  19.059  -3.318
  138   1HE2  GLN   9          1HE2      GLN   9  -4.056  19.459  -4.844
  139   2HE2  GLN   9          2HE2      GLN   9  -4.096  18.308  -6.137
  140    H    ASP  10           HN       ASP  10  -7.162  23.926  -6.242
  141    HA   ASP  10           HA       ASP  10  -8.751  22.990  -8.497
  142   1HB   ASP  10          2HB       ASP  10  -9.638  25.212  -8.831
  143   2HB   ASP  10          3HB       ASP  10  -9.900  24.803  -7.148
  144    H    ARG  11           HN       ARG  11  -8.025  24.032 -10.611
  145    HA   ARG  11           HA       ARG  11  -5.811  25.666 -10.734
  146   1HB   ARG  11          2HB       ARG  11  -4.633  23.599  -9.865
  147   2HB   ARG  11          3HB       ARG  11  -5.165  22.725 -11.288
  148   1HG   ARG  11          2HG       ARG  11  -3.535  23.640 -12.591
  149   2HG   ARG  11          3HG       ARG  11  -3.879  25.262 -12.023
  150   1HD   ARG  11          2HD       ARG  11  -2.453  25.008 -10.096
  151   2HD   ARG  11          3HD       ARG  11  -2.375  23.267 -10.281
  152    HE   ARG  11           HE       ARG  11  -1.322  24.181 -12.668
  153   1HH1  ARG  11          2HH2      ARG  11  -0.600  24.850  -9.290
  154   2HH1  ARG  11          1HH2      ARG  11   1.074  25.186  -9.582
  155   1HH2  ARG  11          2HH1      ARG  11   0.885  24.624 -13.054
  156   2HH2  ARG  11          1HH1      ARG  11   1.924  25.056 -11.738
  157    H    GLN  12           HN       GLN  12  -7.261  26.588 -12.326
  158    HA   GLN  12           HA       GLN  12  -8.017  26.944 -14.329
  159   1HB   GLN  12          2HB       GLN  12  -5.632  25.373 -14.785
  160   2HB   GLN  12          3HB       GLN  12  -6.824  24.934 -15.992
  161   1HG   GLN  12          2HG       GLN  12  -5.861  26.777 -17.039
  162   2HG   GLN  12          3HG       GLN  12  -7.170  27.570 -16.186
  163   1HE2  GLN  12          1HE2      GLN  12  -6.760  28.629 -14.199
  164   2HE2  GLN  12          2HE2      GLN  12  -5.190  29.248 -13.805
  165    H    GLY  13           HN       GLY  13  -9.780  26.307 -15.687
  166   1HA   GLY  13          1HA       GLY  13 -11.451  24.309 -14.666
  167   2HA   GLY  13          2HA       GLY  13 -11.633  25.144 -16.197
  168    H    GLY  14           HN       GLY  14 -11.181  22.125 -14.779
  169   1HA   GLY  14          1HA       GLY  14  -9.369  20.665 -16.080
  170   2HA   GLY  14          2HA       GLY  14 -11.002  20.100 -15.795
  171    H    GLU  15           HN       GLU  15  -9.061  19.656 -18.102
  172    HA   GLU  15           HA       GLU  15  -9.873  21.097 -20.303
  173   1HB   GLU  15          2HB       GLU  15  -8.076  19.029 -19.769
  174   2HB   GLU  15          3HB       GLU  15  -9.213  18.275 -20.868
  175   1HG   GLU  15          2HG       GLU  15  -7.852  19.236 -22.461
  176   2HG   GLU  15          3HG       GLU  15  -8.893  20.619 -22.188
  177    H    ARG  16           HN       ARG  16 -11.722  21.113 -21.521
  178    HA   ARG  16           HA       ARG  16 -13.731  19.196 -20.780
  179   1HB   ARG  16          2HB       ARG  16 -13.692  21.843 -22.237
  180   2HB   ARG  16          3HB       ARG  16 -15.031  20.760 -22.555
  181   1HG   ARG  16          2HG       ARG  16 -14.584  20.825 -19.697
  182   2HG   ARG  16          3HG       ARG  16 -14.636  22.477 -20.279
  183   1HD   ARG  16          2HD       ARG  16 -16.736  20.794 -21.502
  184   2HD   ARG  16          3HD       ARG  16 -16.860  20.846 -19.755
  185    HE   ARG  16           HE       ARG  16 -17.215  23.109 -21.609
  186   1HH1  ARG  16          2HH2      ARG  16 -16.714  22.106 -18.274
  187   2HH1  ARG  16          1HH2      ARG  16 -17.325  23.583 -17.604
  188   1HH2  ARG  16          2HH1      ARG  16 -18.020  25.057 -20.726
  189   2HH2  ARG  16          1HH1      ARG  16 -18.073  25.273 -19.008
  190    H    ARG  17           HN       ARG  17 -12.262  20.565 -23.822
  191    HA   ARG  17           HA       ARG  17 -13.413  19.116 -25.683
  192   1HB   ARG  17          2HB       ARG  17 -10.832  20.403 -25.358
  193   2HB   ARG  17          3HB       ARG  17 -10.599  18.928 -26.277
  194   1HG   ARG  17          2HG       ARG  17 -12.837  20.864 -26.979
  195   2HG   ARG  17          3HG       ARG  17 -11.209  21.121 -27.573
  196   1HD   ARG  17          2HD       ARG  17 -11.315  19.342 -29.041
  197   2HD   ARG  17          3HD       ARG  17 -12.227  18.339 -27.930
  198    HE   ARG  17           HE       ARG  17 -14.244  19.220 -28.789
  199   1HH1  ARG  17          2HH2      ARG  17 -11.494  21.029 -30.033
  200   2HH1  ARG  17          1HH2      ARG  17 -12.426  21.872 -31.226
  201   1HH2  ARG  17          2HH1      ARG  17 -15.474  20.333 -30.362
  202   2HH2  ARG  17          1HH1      ARG  17 -14.704  21.473 -31.414
  203    H    ARG  18           HN       ARG  18 -13.497  16.972 -26.416
  204    HA   ARG  18           HA       ARG  18 -11.537  15.111 -25.962
  205   1HB   ARG  18          2HB       ARG  18 -12.708  13.636 -24.260
  206   2HB   ARG  18          3HB       ARG  18 -12.099  15.137 -23.590
  207   1HG   ARG  18          2HG       ARG  18 -14.461  16.118 -24.046
  208   2HG   ARG  18          3HG       ARG  18 -14.977  14.467 -24.326
  209   1HD   ARG  18          2HD       ARG  18 -15.069  14.040 -22.094
  210   2HD   ARG  18          3HD       ARG  18 -13.421  14.591 -21.863
  211    HE   ARG  18           HE       ARG  18 -14.774  16.965 -22.142
  212   1HH1  ARG  18          2HH2      ARG  18 -15.346  14.132 -20.133
  213   2HH1  ARG  18          1HH2      ARG  18 -16.109  15.029 -18.864
  214   1HH2  ARG  18          2HH1      ARG  18 -15.781  18.148 -20.467
  215   2HH2  ARG  18          1HH1      ARG  18 -16.359  17.328 -19.055
  216    H    SER  19           HN       SER  19 -12.713  15.561 -28.259
  217    HA   SER  19           HA       SER  19 -14.161  14.975 -29.809
  218   1HB   SER  19          2HB       SER  19 -14.032  12.641 -30.384
  219   2HB   SER  19          3HB       SER  19 -12.513  13.058 -29.617
  220    HG   SER  19           HG       SER  19 -14.369  11.189 -28.859
  221    H    GLN  20           HN       GLN  20 -15.851  12.423 -29.697
  222    HA   GLN  20           HA       GLN  20 -18.049  13.668 -28.305
  223   1HB   GLN  20          2HB       GLN  20 -17.874  12.398 -30.745
  224   2HB   GLN  20          3HB       GLN  20 -18.502  11.103 -29.744
  225   1HG   GLN  20          2HG       GLN  20 -20.536  12.064 -30.167
  226   2HG   GLN  20          3HG       GLN  20 -20.086  13.175 -28.888
  227   1HE2  GLN  20          1HE2      GLN  20 -21.852  14.028 -30.675
  228   2HE2  GLN  20          2HE2      GLN  20 -21.186  15.200 -31.762
  229    H    LEU  21           HN       LEU  21 -15.957  12.602 -26.640
  230    HA   LEU  21           HA       LEU  21 -16.540   9.985 -25.796
  231   1HB   LEU  21          2HB       LEU  21 -14.499  11.655 -25.430
  232   2HB   LEU  21          3HB       LEU  21 -15.356  11.988 -23.938
  233    HG   LEU  21           HG       LEU  21 -14.143   9.388 -24.865
  234   1HD1  LEU  21          1HD1      LEU  21 -13.597   9.958 -22.152
  235   2HD1  LEU  21          2HD1      LEU  21 -12.485  10.027 -23.539
  236   3HD1  LEU  21          3HD1      LEU  21 -13.387  11.481 -23.050
  237   1HD2  LEU  21          1HD2      LEU  21 -15.243   8.137 -23.227
  238   2HD2  LEU  21          2HD2      LEU  21 -15.851   9.585 -22.390
  239   3HD2  LEU  21          3HD2      LEU  21 -16.533   9.116 -23.966
  240    H    ASP  22           HN       ASP  22 -18.567   9.418 -25.164
  241    HA   ASP  22           HA       ASP  22 -20.290  11.263 -23.957
  242   1HB   ASP  22          2HB       ASP  22 -20.528   8.771 -25.158
  243   2HB   ASP  22          3HB       ASP  22 -20.806   8.371 -23.475
  244    H    ARG  23           HN       ARG  23 -21.120  11.168 -21.695
  245    HA   ARG  23           HA       ARG  23 -19.084  10.837 -19.849
  246   1HB   ARG  23          2HB       ARG  23 -21.980  11.535 -19.818
  247   2HB   ARG  23          3HB       ARG  23 -21.412  10.814 -18.325
  248   1HG   ARG  23          2HG       ARG  23 -20.248  13.275 -19.708
  249   2HG   ARG  23          3HG       ARG  23 -21.152  13.255 -18.207
  250   1HD   ARG  23          2HD       ARG  23 -19.087  11.417 -17.720
  251   2HD   ARG  23          3HD       ARG  23 -18.296  12.651 -18.681
  252    HE   ARG  23           HE       ARG  23 -19.917  13.911 -16.665
  253   1HH1  ARG  23          2HH2      ARG  23 -16.926  12.092 -17.031
  254   2HH1  ARG  23          1HH2      ARG  23 -16.180  12.792 -15.632
  255   1HH2  ARG  23          2HH1      ARG  23 -18.932  14.834 -14.820
  256   2HH2  ARG  23          1HH1      ARG  23 -17.329  14.362 -14.367
  257    H    ASP  24           HN       ASP  24 -21.033   8.524 -21.421
  258    HA   ASP  24           HA       ASP  24 -20.434   6.614 -19.308
  259   1HB   ASP  24          2HB       ASP  24 -22.563   5.414 -19.920
  260   2HB   ASP  24          3HB       ASP  24 -22.834   6.988 -19.199
  261    H    GLN  25           HN       GLN  25 -18.997   7.423 -21.805
  262    HA   GLN  25           HA       GLN  25 -19.322   4.937 -23.299
  263   1HB   GLN  25          2HB       GLN  25 -19.986   6.927 -24.627
  264   2HB   GLN  25          3HB       GLN  25 -18.420   7.660 -24.338
  265   1HG   GLN  25          2HG       GLN  25 -17.298   5.777 -25.516
  266   2HG   GLN  25          3HG       GLN  25 -18.844   4.990 -25.763
  267   1HE2  GLN  25          1HE2      GLN  25 -17.052   7.983 -26.375
  268   2HE2  GLN  25          2HE2      GLN  25 -17.788   8.385 -27.891
  269    H    CYS  26           HN       CYS  26 -17.566   3.588 -23.297
  270    HA   CYS  26           HA       CYS  26 -15.350   4.161 -21.741
  271   1HB   CYS  26          2HB       CYS  26 -16.059   1.877 -22.202
  272   2HB   CYS  26          3HB       CYS  26 -15.720   2.070 -23.911
  273    H    ALA  27           HN       ALA  27 -13.378   5.152 -22.199
  274    HA   ALA  27           HA       ALA  27 -13.118   6.236 -24.905
  275   1HB   ALA  27          1HB       ALA  27 -13.009   7.467 -22.461
  276   2HB   ALA  27          2HB       ALA  27 -11.285   7.130 -22.751
  277   3HB   ALA  27          3HB       ALA  27 -12.217   8.083 -23.931
  278    H    TYR  28           HN       TYR  28 -12.607   3.417 -24.408
  279    HA   TYR  28           HA       TYR  28  -9.722   3.418 -24.963
  280   1HB   TYR  28          2HB       TYR  28 -10.747   2.558 -22.616
  281   2HB   TYR  28          3HB       TYR  28 -11.259   1.174 -23.563
  282    HD1  TYR  28           HD1      TYR  28  -8.218   3.157 -22.661
  283    HD2  TYR  28           HD2      TYR  28  -9.783  -0.615 -23.939
  284    HE1  TYR  28           HE1      TYR  28  -5.928   2.095 -22.360
  285    HE2  TYR  28           HE2      TYR  28  -7.487  -1.663 -23.633
  286    HH   TYR  28           HH       TYR  28  -5.020  -0.133 -21.933
  287    H    CYS  29           HN       CYS  29 -12.677   1.292 -24.999
  288    HA   CYS  29           HA       CYS  29 -11.691   0.170 -27.493
  289   1HB   CYS  29          2HB       CYS  29 -13.433  -1.551 -27.160
  290   2HB   CYS  29          3HB       CYS  29 -12.321  -1.454 -25.810
  291    H    LYS  30           HN       LYS  30 -14.180   2.249 -26.045
  292    HA   LYS  30           HA       LYS  30 -15.340   3.838 -27.193
  293   1HB   LYS  30          2HB       LYS  30 -13.920   3.072 -29.278
  294   2HB   LYS  30          3HB       LYS  30 -15.392   2.236 -29.732
  295   1HG   LYS  30          2HG       LYS  30 -16.261   4.184 -30.494
  296   2HG   LYS  30          3HG       LYS  30 -16.187   4.848 -28.874
  297   1HD   LYS  30          2HD       LYS  30 -13.585   4.776 -30.347
  298   2HD   LYS  30          3HD       LYS  30 -14.792   5.861 -31.010
  299   1HE   LYS  30          2HE       LYS  30 -13.690   7.237 -29.443
  300   2HE   LYS  30          3HE       LYS  30 -15.095   6.703 -28.543
  301   1HZ   LYS  30          1HZ       LYS  30 -13.728   5.818 -27.086
  302   2HZ   LYS  30          2HZ       LYS  30 -13.111   4.806 -28.208
  303   3HZ   LYS  30          3HZ       LYS  30 -12.420   6.263 -27.955
  304    H    GLU  31           HN       GLU  31 -16.058   1.387 -25.657
  305    HA   GLU  31           HA       GLU  31 -18.629   0.803 -26.881
  306   1HB   GLU  31          2HB       GLU  31 -16.857  -0.981 -25.979
  307   2HB   GLU  31          3HB       GLU  31 -17.608  -0.634 -24.434
  308   1HG   GLU  31          2HG       GLU  31 -19.866  -0.957 -25.890
  309   2HG   GLU  31          3HG       GLU  31 -18.796  -1.932 -26.877
  310    H    LYS  32           HN       LYS  32 -20.553   1.450 -25.927
  311    HA   LYS  32           HA       LYS  32 -20.271   3.228 -23.653
  312   1HB   LYS  32          2HB       LYS  32 -22.564   3.905 -24.204
  313   2HB   LYS  32          3HB       LYS  32 -21.494   4.045 -25.584
  314   1HG   LYS  32          2HG       LYS  32 -22.731   1.376 -25.436
  315   2HG   LYS  32          3HG       LYS  32 -23.938   2.645 -25.497
  316   1HD   LYS  32          2HD       LYS  32 -23.114   3.497 -27.577
  317   2HD   LYS  32          3HD       LYS  32 -21.582   2.662 -27.417
  318   1HE   LYS  32          2HE       LYS  32 -22.564   1.147 -28.844
  319   2HE   LYS  32          3HE       LYS  32 -23.252   0.506 -27.365
  320   1HZ   LYS  32          1HZ       LYS  32 -25.240   1.090 -28.062
  321   2HZ   LYS  32          2HZ       LYS  32 -24.802   2.646 -28.295
  322   3HZ   LYS  32          3HZ       LYS  32 -24.609   1.554 -29.494
  323    H    GLY  33           HN       GLY  33 -21.014   2.815 -21.603
  324   1HA   GLY  33          1HA       GLY  33 -22.850   1.539 -20.427
  325   2HA   GLY  33          2HA       GLY  33 -22.156   0.121 -21.186
  326    H    HIS  34           HN       HIS  34 -19.350   0.866 -21.020
  327    HA   HIS  34           HA       HIS  34 -19.016   0.896 -18.108
  328   1HB   HIS  34          2HB       HIS  34 -17.297  -0.748 -18.267
  329   2HB   HIS  34          3HB       HIS  34 -18.711  -1.365 -19.096
  330    HD1  HIS  34           HD1      HIS  34 -18.511  -1.874 -21.605
  331    HD2  HIS  34           HD2      HIS  34 -15.115  -0.006 -20.002
  332    HE1  HIS  34           HE1      HIS  34 -16.701  -2.020 -23.398
  333    H    TRP  35           HN       TRP  35 -16.816   1.681 -17.407
  334    HA   TRP  35           HA       TRP  35 -16.071   3.920 -19.118
  335   1HB   TRP  35          2HB       TRP  35 -15.951   3.320 -16.213
  336   2HB   TRP  35          3HB       TRP  35 -14.658   4.305 -16.868
  337    HD1  TRP  35           HD1      TRP  35 -18.383   4.550 -17.982
  338    HE1  TRP  35           HE1      TRP  35 -19.335   6.968 -17.523
  339    HE3  TRP  35           HE3      TRP  35 -14.248   6.296 -15.592
  340    HZ2  TRP  35           HZ2      TRP  35 -18.276   9.287 -16.241
  341    HZ3  TRP  35           HZ3      TRP  35 -14.289   8.648 -14.769
  342    HH2  TRP  35           HH2      TRP  35 -16.213  10.128 -15.061
  343    H    ALA  36           HN       ALA  36 -13.668   4.379 -19.328
  344    HA   ALA  36           HA       ALA  36 -12.361   2.176 -20.412
  345   1HB   ALA  36          1HB       ALA  36 -11.429   4.920 -19.500
  346   2HB   ALA  36          2HB       ALA  36 -10.367   3.766 -20.342
  347   3HB   ALA  36          3HB       ALA  36 -11.825   4.389 -21.151
  348    H    LYS  37           HN       LYS  37 -12.359   3.610 -17.134
  349    HA   LYS  37           HA       LYS  37 -10.105   2.210 -16.203
  350   1HB   LYS  37          2HB       LYS  37 -12.321   3.812 -15.030
  351   2HB   LYS  37          3HB       LYS  37 -11.509   2.697 -13.949
  352   1HG   LYS  37          2HG       LYS  37  -9.959   4.355 -13.703
  353   2HG   LYS  37          3HG       LYS  37  -9.348   3.818 -15.256
  354   1HD   LYS  37          2HD       LYS  37 -11.528   5.523 -15.884
  355   2HD   LYS  37          3HD       LYS  37 -10.695   6.327 -14.568
  356   1HE   LYS  37          2HE       LYS  37  -9.264   7.107 -16.165
  357   2HE   LYS  37          3HE       LYS  37  -8.565   5.500 -16.148
  358   1HZ   LYS  37          1HZ       LYS  37  -9.357   6.409 -18.342
  359   2HZ   LYS  37          2HZ       LYS  37  -9.818   4.885 -17.977
  360   3HZ   LYS  37          3HZ       LYS  37 -10.879   6.116 -17.827
  361    H    ASP  38           HN       ASP  38 -13.187   1.136 -17.212
  362    HA   ASP  38           HA       ASP  38 -12.741  -1.327 -15.720
  363   1HB   ASP  38          2HB       ASP  38 -14.872   0.313 -15.261
  364   2HB   ASP  38          3HB       ASP  38 -15.526  -0.615 -16.595
  365    H    CYS  39           HN       CYS  39 -11.867  -0.408 -18.445
  366    HA   CYS  39           HA       CYS  39 -13.627  -1.490 -20.367
  367   1HB   CYS  39          2HB       CYS  39 -11.933   0.275 -20.846
  368   2HB   CYS  39          3HB       CYS  39 -10.658  -0.905 -20.619
  369    HA   PRO  40           HA       PRO  40 -12.465  -5.661 -19.729
  370   1HB   PRO  40          2HB       PRO  40 -13.831  -6.794 -21.808
  371   2HB   PRO  40          3HB       PRO  40 -14.575  -6.409 -20.269
  372   1HG   PRO  40          2HG       PRO  40 -14.826  -4.996 -22.853
  373   2HG   PRO  40          3HG       PRO  40 -15.861  -4.896 -21.443
  374   1HD   PRO  40          2HD       PRO  40 -13.907  -2.970 -22.276
  375   2HD   PRO  40          3HD       PRO  40 -14.859  -2.928 -20.806
  376    H    LYS  41           HN       LYS  41 -11.292  -3.667 -22.000
  377    HA   LYS  41           HA       LYS  41  -9.858  -5.786 -23.396
  378   1HB   LYS  41          2HB       LYS  41 -10.910  -4.081 -24.776
  379   2HB   LYS  41          3HB       LYS  41 -10.081  -2.805 -23.906
  380   1HG   LYS  41          2HG       LYS  41  -7.928  -3.474 -24.747
  381   2HG   LYS  41          3HG       LYS  41  -8.528  -5.031 -25.284
  382   1HD   LYS  41          2HD       LYS  41 -10.044  -3.791 -26.925
  383   2HD   LYS  41          3HD       LYS  41  -9.234  -2.306 -26.468
  384   1HE   LYS  41          2HE       LYS  41  -7.922  -2.897 -28.295
  385   2HE   LYS  41          3HE       LYS  41  -7.024  -3.712 -27.030
  386   1HZ   LYS  41          1HZ       LYS  41  -8.942  -5.486 -27.731
  387   2HZ   LYS  41          2HZ       LYS  41  -8.504  -4.831 -29.162
  388   3HZ   LYS  41          3HZ       LYS  41  -7.379  -5.529 -28.205
  389    H    LYS  42           HN       LYS  42  -9.575  -3.581 -20.734
  390    HA   LYS  42           HA       LYS  42  -6.823  -3.086 -20.835
  391   1HB   LYS  42          2HB       LYS  42  -8.885  -3.074 -18.631
  392   2HB   LYS  42          3HB       LYS  42  -7.196  -2.754 -18.296
  393   1HG   LYS  42          2HG       LYS  42  -8.318  -1.261 -20.626
  394   2HG   LYS  42          3HG       LYS  42  -9.012  -0.834 -19.075
  395   1HD   LYS  42          2HD       LYS  42  -6.154  -1.051 -18.729
  396   2HD   LYS  42          3HD       LYS  42  -6.446  -0.075 -20.155
  397   1HE   LYS  42          2HE       LYS  42  -7.797   0.413 -17.459
  398   2HE   LYS  42          3HE       LYS  42  -6.352   1.249 -17.990
  399   1HZ   LYS  42          1HZ       LYS  42  -7.857   2.658 -18.809
  400   2HZ   LYS  42          2HZ       LYS  42  -7.934   1.621 -20.069
  401   3HZ   LYS  42          3HZ       LYS  42  -9.061   1.558 -18.889
  402    HA   PRO  43           HA       PRO  43  -5.604  -7.206 -19.966
  403   1HB   PRO  43          2HB       PRO  43  -2.963  -6.895 -20.598
  404   2HB   PRO  43          3HB       PRO  43  -4.191  -7.298 -21.782
  405   1HG   PRO  43          2HG       PRO  43  -2.829  -4.714 -21.332
  406   2HG   PRO  43          3HG       PRO  43  -3.720  -5.255 -22.741
  407   1HD   PRO  43          2HD       PRO  43  -4.635  -3.426 -20.730
  408   2HD   PRO  43          3HD       PRO  43  -5.565  -4.057 -22.075
  409    H    ARG  44           HN       ARG  44  -4.921  -8.309 -18.187
  410    HA   ARG  44           HA       ARG  44  -3.631  -6.539 -16.268
  411   1HB   ARG  44          2HB       ARG  44  -4.745  -7.864 -14.480
  412   2HB   ARG  44          3HB       ARG  44  -5.928  -7.173 -15.571
  413   1HG   ARG  44          2HG       ARG  44  -6.677  -9.224 -16.210
  414   2HG   ARG  44          3HG       ARG  44  -5.052  -9.791 -16.546
  415   1HD   ARG  44          2HD       ARG  44  -4.831  -9.943 -13.909
  416   2HD   ARG  44          3HD       ARG  44  -6.583  -9.898 -13.926
  417    HE   ARG  44           HE       ARG  44  -4.873 -12.085 -14.914
  418   1HH1  ARG  44          2HH2      ARG  44  -8.097 -10.679 -14.877
  419   2HH1  ARG  44          1HH2      ARG  44  -8.887 -12.158 -15.312
  420   1HH2  ARG  44          2HH1      ARG  44  -5.913 -14.037 -15.489
  421   2HH2  ARG  44          1HH1      ARG  44  -7.635 -14.081 -15.664
  422    H    GLY  45           HN       GLY  45  -1.830  -7.652 -17.882
  423   1HA   GLY  45          1HA       GLY  45   0.180  -8.746 -17.249
  424   2HA   GLY  45          2HA       GLY  45  -0.748  -9.912 -16.328
  425    HA   PRO  46           HA       PRO  46   0.985 -10.994 -16.705
  426   1HB   PRO  46          2HB       PRO  46   3.156 -12.238 -17.805
  427   2HB   PRO  46          3HB       PRO  46   1.811 -13.108 -17.094
  428   1HG   PRO  46          2HG       PRO  46   2.474 -12.734 -19.951
  429   2HG   PRO  46          3HG       PRO  46   1.416 -13.921 -19.216
  430   1HD   PRO  46          2HD       PRO  46   0.621 -11.552 -20.626
  431   2HD   PRO  46          3HD       PRO  46  -0.431 -12.678 -19.791
  432    H    ARG  47           HN       ARG  47   2.782  -9.861 -15.846
  433    HA   ARG  47           HA       ARG  47   3.087  -7.411 -16.807
  434   1HB   ARG  47          2HB       ARG  47   4.620  -9.183 -15.025
  435   2HB   ARG  47          3HB       ARG  47   5.675  -8.035 -15.828
  436   1HG   ARG  47          2HG       ARG  47   4.277  -6.147 -15.056
  437   2HG   ARG  47          3HG       ARG  47   3.117  -7.254 -14.350
  438   1HD   ARG  47          2HD       ARG  47   5.939  -7.644 -13.446
  439   2HD   ARG  47          3HD       ARG  47   5.211  -6.125 -12.963
  440    HE   ARG  47           HE       ARG  47   3.233  -7.913 -12.322
  441   1HH1  ARG  47          2HH2      ARG  47   6.684  -7.867 -11.633
  442   2HH1  ARG  47          1HH2      ARG  47   6.528  -8.737 -10.143
  443   1HH2  ARG  47          2HH1      ARG  47   3.027  -9.060 -10.357
  444   2HH2  ARG  47          1HH1      ARG  47   4.434  -9.421  -9.413
  445    H    GLY  48           HN       GLY  48   4.601  -6.273 -18.192
  446   1HA   GLY  48          1HA       GLY  48   6.746  -6.677 -19.471
  447   2HA   GLY  48          2HA       GLY  48   5.892  -8.030 -20.185
  448    HA   PRO  49           HA       PRO  49   3.999  -3.938 -21.732
  449   1HB   PRO  49          2HB       PRO  49   5.577  -1.712 -21.596
  450   2HB   PRO  49          3HB       PRO  49   4.329  -2.075 -20.420
  451   1HG   PRO  49          2HG       PRO  49   7.261  -2.323 -20.145
  452   2HG   PRO  49          3HG       PRO  49   6.041  -2.267 -18.888
  453   1HD   PRO  49          2HD       PRO  49   7.430  -4.593 -19.831
  454   2HD   PRO  49          3HD       PRO  49   6.129  -4.553 -18.658
  455    H    ARG  50           HN       ARG  50   3.962  -4.765 -23.748
  456    HA   ARG  50           HA       ARG  50   6.318  -4.009 -25.272
  457   1HB   ARG  50          2HB       ARG  50   5.329  -6.698 -24.739
  458   2HB   ARG  50          3HB       ARG  50   5.201  -6.374 -26.457
  459   1HG   ARG  50          2HG       ARG  50   7.501  -6.182 -26.745
  460   2HG   ARG  50          3HG       ARG  50   7.761  -5.529 -25.139
  461   1HD   ARG  50          2HD       ARG  50   8.707  -7.758 -25.147
  462   2HD   ARG  50          3HD       ARG  50   7.244  -7.837 -24.188
  463    HE   ARG  50           HE       ARG  50   6.837  -8.450 -27.034
  464   1HH1  ARG  50          2HH2      ARG  50   7.590  -9.758 -23.856
  465   2HH1  ARG  50          1HH2      ARG  50   7.088 -11.366 -24.258
  466   1HH2  ARG  50          2HH1      ARG  50   6.176 -10.571 -27.565
  467   2HH2  ARG  50          1HH1      ARG  50   6.279 -11.831 -26.382
  468    HA   PRO  51           HA       PRO  51   2.682  -2.440 -27.386
  469   1HB   PRO  51          2HB       PRO  51   3.819  -0.129 -28.303
  470   2HB   PRO  51          3HB       PRO  51   2.985  -0.243 -26.766
  471   1HG   PRO  51          2HG       PRO  51   5.891  -0.099 -27.292
  472   2HG   PRO  51          3HG       PRO  51   5.028   0.212 -25.798
  473   1HD   PRO  51          2HD       PRO  51   6.536  -2.138 -26.452
  474   2HD   PRO  51          3HD       PRO  51   5.578  -1.875 -25.007
  475    H    GLN  52           HN       GLN  52   5.960  -2.334 -28.668
  476    HA   GLN  52           HA       GLN  52   6.769  -2.961 -30.582
  477   1HB   GLN  52          2HB       GLN  52   4.546  -4.783 -30.175
  478   2HB   GLN  52          3HB       GLN  52   4.715  -4.457 -31.889
  479   1HG   GLN  52          2HG       GLN  52   6.344  -6.055 -31.840
  480   2HG   GLN  52          3HG       GLN  52   7.359  -4.795 -31.166
  481   1HE2  GLN  52          1HE2      GLN  52   8.466  -6.677 -30.261
  482   2HE2  GLN  52          2HE2      GLN  52   7.949  -7.325 -28.740
  483    H    THR  53           HN       THR  53   6.633  -2.599 -32.997
  484    HA   THR  53           HA       THR  53   4.914  -0.293 -33.495
  485    HB   THR  53           HB       THR  53   6.503  -0.032 -35.455
  486    HG1  THR  53           HG1      THR  53   6.835  -2.497 -35.351
  487   1HG2  THR  53          1HG2      THR  53   7.632  -0.391 -32.646
  488   2HG2  THR  53          2HG2      THR  53   8.683   0.069 -34.007
  489   3HG2  THR  53          3HG2      THR  53   7.335   1.128 -33.526
  490    H    SER  54           HN       SER  54   2.957  -0.605 -34.338
  491    HA   SER  54           HA       SER  54   2.735  -2.823 -36.221
  492   1HB   SER  54          2HB       SER  54   0.868  -1.748 -34.114
  493   2HB   SER  54          3HB       SER  54   0.159  -2.431 -35.564
  494    HG   SER  54           HG       SER  54   2.200  -4.026 -34.516
  495    H    LEU  55           HN       LEU  55   2.061  -2.336 -38.307
  496    HA   LEU  55           HA       LEU  55   0.801   0.258 -38.743
  497   1HB   LEU  55          2HB       LEU  55   3.429  -0.653 -39.847
  498   2HB   LEU  55          3HB       LEU  55   2.383   0.349 -40.834
  499    HG   LEU  55           HG       LEU  55   2.405   1.738 -38.458
  500   1HD1  LEU  55          1HD1      LEU  55   5.115   0.444 -38.823
  501   2HD1  LEU  55          2HD1      LEU  55   4.842   1.924 -37.873
  502   3HD1  LEU  55          3HD1      LEU  55   4.060   0.400 -37.389
  503   1HD2  LEU  55          1HD2      LEU  55   3.237   3.409 -39.726
  504   2HD2  LEU  55          2HD2      LEU  55   4.571   2.417 -40.361
  505   3HD2  LEU  55          3HD2      LEU  55   2.938   2.258 -41.050
  506    H    LEU  56           HN       LEU  56   2.123  -2.596 -40.575
  507    HA   LEU  56           HA       LEU  56   1.174  -3.964 -42.022
  508   1HB   LEU  56          2HB       LEU  56  -0.622  -3.764 -39.927
  509   2HB   LEU  56          3HB       LEU  56  -1.625  -3.496 -41.338
  510    HG   LEU  56           HG       LEU  56  -0.281  -5.668 -42.193
  511   1HD1  LEU  56          1HD1      LEU  56   0.969  -6.548 -40.569
  512   2HD1  LEU  56          2HD1      LEU  56   0.197  -5.554 -39.311
  513   3HD1  LEU  56          3HD1      LEU  56  -0.565  -7.073 -39.835
  514   1HD2  LEU  56          1HD2      LEU  56  -2.879  -5.098 -41.091
  515   2HD2  LEU  56          2HD2      LEU  56  -2.412  -6.258 -42.358
  516   3HD2  LEU  56          3HD2      LEU  56  -2.375  -6.747 -40.647
  Start of MODEL   15
    1   1H5*    U 517          1H5*        U 517  -2.014  -2.372 -29.690
    2   2H5*    U 517          2H5*        U 517  -2.203  -2.135 -27.953
    3    H4*    U 517           H4*        U 517  -1.309  -0.123 -28.567
    4    H3*    U 517           H3*        U 517  -4.175   0.048 -28.200
    5    H2*    U 517           H2*        U 517  -4.666   1.845 -29.599
    6   2HO*    U 517          2HO*        U 517  -2.307   2.774 -30.381
    7    H1*    U 517           H1*        U 517  -3.254   1.214 -31.782
    8    H3     U 517           H3         U 517  -4.896  -3.429 -32.108
    9    H5     U 517           H5         U 517  -7.805  -0.688 -30.855
   10    H6     U 517           H6         U 517  -5.991   0.923 -30.497
   11   1H5*    U 518          1H5*        U 518  -4.027   4.408 -28.800
   12   2H5*    U 518          2H5*        U 518  -4.224   4.807 -27.093
   13    H4*    U 518           H4*        U 518  -5.954   5.874 -28.381
   14    H3*    U 518           H3*        U 518  -6.805   3.699 -26.509
   15    H2*    U 518           H2*        U 518  -9.088   4.023 -27.094
   16   2HO*    U 518          2HO*        U 518  -9.576   5.891 -28.395
   17    H1*    U 518           H1*        U 518  -8.521   3.988 -29.859
   18    H3     U 518           H3         U 518 -10.792   0.115 -29.452
   19    H5     U 518           H5         U 518  -7.210  -0.650 -27.423
   20    H6     U 518           H6         U 518  -6.633   1.709 -27.753
   21   1H5*    U 519          1H5*        U 519  -8.398   6.615 -24.508
   22   2H5*    U 519          2H5*        U 519  -7.456   7.938 -23.820
   23    H4*    U 519           H4*        U 519  -9.416   7.099 -22.455
   24    H3*    U 519           H3*        U 519  -6.642   7.412 -21.343
   25    H2*    U 519           H2*        U 519  -7.441   6.814 -19.181
   26   2HO*    U 519          2HO*        U 519  -9.448   7.968 -19.629
   27    H1*    U 519           H1*        U 519  -8.768   4.539 -20.100
   28    H3     U 519           H3         U 519  -4.948   3.439 -17.708
   29    H5     U 519           H5         U 519  -3.823   3.610 -21.738
   30    H6     U 519           H6         U 519  -6.015   4.607 -22.205
   31   1H5*    U 520          1H5*        U 520  -4.996  11.829 -20.670
   32   2H5*    U 520          2H5*        U 520  -5.893  11.584 -19.172
   33    H4*    U 520           H4*        U 520  -5.860  13.928 -20.219
   34    H3*    U 520           H3*        U 520  -8.374  12.556 -19.259
   35    H2*    U 520           H2*        U 520  -9.572  14.529 -19.679
   36   2HO*    U 520          2HO*        U 520  -8.414  16.475 -19.660
   37    H1*    U 520           H1*        U 520  -7.932  15.056 -22.039
   38    H3     U 520           H3         U 520 -12.216  15.459 -23.551
   39    H5     U 520           H5         U 520 -11.665  11.342 -23.025
   40    H6     U 520           H6         U 520  -9.525  11.865 -21.951
   41   1H5*    G 521          1H5*        G 521  -9.973  12.000 -17.273
   42   2H5*    G 521          2H5*        G 521 -10.355  12.614 -18.881
   43    H4*    G 521           H4*        G 521 -11.963  14.030 -16.998
   44    H3*    G 521           H3*        G 521 -11.658  11.164 -16.306
   45    H2*    G 521           H2*        G 521 -13.995  10.759 -16.251
   46   2HO*    G 521          2HO*        G 521 -15.169  12.514 -15.732
   47    H1*    G 521           H1*        G 521 -14.526  11.812 -18.719
   48    H8     G 521           H8         G 521 -11.075  10.267 -18.185
   49    H1     G 521           H1         G 521 -15.486   6.319 -20.802
   50   1H2     G 521          1H2         G 521 -17.318   7.266 -20.847
   51   2H2     G 521          2H2         G 521 -17.614   8.889 -20.263
   52   1H5*    C 522          1H5*        C 522  -8.265  14.439 -13.907
   53   2H5*    C 522          2H5*        C 522  -8.735  13.077 -12.890
   54    H4*    C 522           H4*        C 522  -8.471  15.489 -11.895
   55    H3*    C 522           H3*        C 522 -10.563  13.443 -11.188
   56    H2*    C 522           H2*        C 522 -11.453  14.907  -9.567
   57   2HO*    C 522          2HO*        C 522 -10.121  16.720  -8.946
   58    H1*    C 522           H1*        C 522 -11.134  17.173 -11.320
   59   1H4     C 522          1H4         C 522 -17.431  16.255 -11.370
   60   2H4     C 522          2H4         C 522 -17.219  14.685 -12.113
   61    H5     C 522           H5         C 522 -15.113  13.715 -12.561
   62    H6     C 522           H6         C 522 -12.667  14.014 -12.401
   63   1H5*    U 523          1H5*        U 523  -8.730   9.810 -10.710
   64   2H5*    U 523          2H5*        U 523  -8.762   9.801  -8.946
   65    H4*    U 523           H4*        U 523  -7.043   8.338  -9.453
   66    H3*    U 523           H3*        U 523  -5.892  11.053  -8.850
   67    H2*    U 523           H2*        U 523  -3.715  10.207  -9.130
   68   2HO*    U 523          2HO*        U 523  -5.110   7.686  -9.156
   69    H1*    U 523           H1*        U 523  -4.565   8.576 -11.371
   70    H3     U 523           H3         U 523  -1.074  11.054 -12.961
   71    H5     U 523           H5         U 523  -4.295  13.727 -12.805
   72    H6     U 523           H6         U 523  -5.553  11.988 -11.619
   73   1H    ALA   1           HN       ALA   1  -7.600   9.719  11.252
   74    HA   ALA   1           HA       ALA   1  -9.745   9.192  10.194
   75   1HB   ALA   1          1HB       ALA   1 -10.636  10.908  12.517
   76   2HB   ALA   1          2HB       ALA   1 -11.622  10.805  11.039
   77   3HB   ALA   1          3HB       ALA   1 -11.266   9.334  11.976
   78    H    THR   2           HN       THR   2  -7.702  10.259   9.072
   79    HA   THR   2           HA       THR   2  -8.688  12.755   7.950
   80    HB   THR   2           HB       THR   2  -6.007  12.407   9.379
   81    HG1  THR   2           HG1      THR   2  -8.202  14.356   9.429
   82   1HG2  THR   2          1HG2      THR   2  -5.299  14.509   8.506
   83   2HG2  THR   2          2HG2      THR   2  -5.957  13.686   7.071
   84   3HG2  THR   2          3HG2      THR   2  -6.931  14.911   7.918
   85    H    VAL   3           HN       VAL   3  -7.805  13.245   5.860
   86    HA   VAL   3           HA       VAL   3  -6.305  11.016   4.691
   87    HB   VAL   3           HB       VAL   3  -7.744  11.152   2.703
   88   1HG1  VAL   3          1HG1      VAL   3  -9.788  10.093   3.751
   89   2HG1  VAL   3          2HG1      VAL   3  -8.227   9.390   4.242
   90   3HG1  VAL   3          3HG1      VAL   3  -9.091  10.496   5.340
   91   1HG2  VAL   3          1HG2      VAL   3  -9.593  12.881   4.376
   92   2HG2  VAL   3          2HG2      VAL   3  -8.520  13.505   3.100
   93   3HG2  VAL   3          3HG2      VAL   3  -9.821  12.363   2.689
   94    H    VAL   4           HN       VAL   4  -4.574  11.677   3.497
   95    HA   VAL   4           HA       VAL   4  -4.610  14.186   2.139
   96    HB   VAL   4           HB       VAL   4  -4.186  14.861   4.493
   97   1HG1  VAL   4          1HG1      VAL   4  -2.806  12.669   4.897
   98   2HG1  VAL   4          2HG1      VAL   4  -1.442  13.643   4.296
   99   3HG1  VAL   4          3HG1      VAL   4  -2.350  14.174   5.732
  100   1HG2  VAL   4          1HG2      VAL   4  -2.437  16.401   3.976
  101   2HG2  VAL   4          2HG2      VAL   4  -1.753  15.316   2.741
  102   3HG2  VAL   4          3HG2      VAL   4  -3.326  16.104   2.462
  103    H    SER   5           HN       SER   5  -2.878  14.334   0.612
  104    HA   SER   5           HA       SER   5  -1.275  11.899   0.505
  105   1HB   SER   5          2HB       SER   5  -3.148  13.000  -1.451
  106   2HB   SER   5          3HB       SER   5  -1.542  12.883  -2.142
  107    HG   SER   5           HG       SER   5  -1.479  10.644  -1.636
  108    H    GLY   6           HN       GLY   6   0.802  12.202  -0.811
  109   1HA   GLY   6          1HA       GLY   6   1.723  15.008  -0.756
  110   2HA   GLY   6          2HA       GLY   6   2.654  13.731   0.000
  111    H    GLN   7           HN       GLN   7   2.185  15.497  -2.861
  112    HA   GLN   7           HA       GLN   7   4.178  14.113  -4.193
  113   1HB   GLN   7          2HB       GLN   7   1.884  12.668  -4.431
  114   2HB   GLN   7          3HB       GLN   7   1.669  13.755  -5.788
  115   1HG   GLN   7          2HG       GLN   7   3.652  13.008  -6.872
  116   2HG   GLN   7          3HG       GLN   7   4.327  12.347  -5.396
  117   1HE2  GLN   7          1HE2      GLN   7   4.687  10.407  -6.542
  118   2HE2  GLN   7          2HE2      GLN   7   3.424   9.252  -6.804
  119    H    LYS   8           HN       LYS   8   4.393  14.988  -6.558
  120    HA   LYS   8           HA       LYS   8   2.890  17.317  -7.191
  121   1HB   LYS   8          2HB       LYS   8   4.383  18.138  -5.331
  122   2HB   LYS   8          3HB       LYS   8   5.763  17.789  -6.352
  123   1HG   LYS   8          2HG       LYS   8   5.363  20.049  -6.851
  124   2HG   LYS   8          3HG       LYS   8   4.517  19.244  -8.157
  125   1HD   LYS   8          2HD       LYS   8   2.949  19.741  -5.642
  126   2HD   LYS   8          3HD       LYS   8   3.356  21.148  -6.603
  127   1HE   LYS   8          2HE       LYS   8   2.395  18.940  -8.293
  128   2HE   LYS   8          3HE       LYS   8   1.219  19.362  -7.063
  129   1HZ   LYS   8          1HZ       LYS   8   0.729  21.135  -8.241
  130   2HZ   LYS   8          2HZ       LYS   8   2.250  21.713  -8.104
  131   3HZ   LYS   8          3HZ       LYS   8   1.849  20.761  -9.369
  132    H    GLN   9           HN       GLN   9   2.563  16.178  -9.143
  133    HA   GLN   9           HA       GLN   9   5.012  15.818 -10.687
  134   1HB   GLN   9          2HB       GLN   9   3.052  13.938 -10.112
  135   2HB   GLN   9          3HB       GLN   9   2.555  14.501 -11.695
  136   1HG   GLN   9          2HG       GLN   9   4.337  13.518 -12.740
  137   2HG   GLN   9          3HG       GLN   9   5.473  14.061 -11.521
  138   1HE2  GLN   9          1HE2      GLN   9   6.215  11.804 -12.135
  139   2HE2  GLN   9          2HE2      GLN   9   5.660  10.492 -11.151
  140    H    ASP  10           HN       ASP  10   4.707  16.165 -13.129
  141    HA   ASP  10           HA       ASP  10   3.611  18.720 -13.477
  142   1HB   ASP  10          2HB       ASP  10   5.587  17.550 -14.716
  143   2HB   ASP  10          3HB       ASP  10   4.359  16.779 -15.700
  144    H    ARG  11           HN       ARG  11   1.948  19.219 -15.274
  145    HA   ARG  11           HA       ARG  11   0.325  17.133 -16.200
  146   1HB   ARG  11          2HB       ARG  11  -0.303  17.925 -13.587
  147   2HB   ARG  11          3HB       ARG  11  -1.415  18.879 -14.549
  148   1HG   ARG  11          2HG       ARG  11  -1.326  16.166 -15.597
  149   2HG   ARG  11          3HG       ARG  11  -1.622  16.107 -13.871
  150   1HD   ARG  11          2HD       ARG  11  -3.780  16.269 -14.988
  151   2HD   ARG  11          3HD       ARG  11  -3.487  17.793 -14.173
  152    HE   ARG  11           HE       ARG  11  -2.450  18.311 -16.647
  153   1HH1  ARG  11          2HH2      ARG  11  -5.508  16.882 -15.654
  154   2HH1  ARG  11          1HH2      ARG  11  -6.371  17.449 -17.045
  155   1HH2  ARG  11          2HH1      ARG  11  -3.588  19.060 -18.482
  156   2HH2  ARG  11          1HH1      ARG  11  -5.271  18.695 -18.664
  157    H    GLN  12           HN       GLN  12   0.848  18.304 -18.177
  158    HA   GLN  12           HA       GLN  12  -0.813  20.667 -18.471
  159   1HB   GLN  12          2HB       GLN  12   2.145  20.456 -18.922
  160   2HB   GLN  12          3HB       GLN  12   1.233  21.373 -20.104
  161   1HG   GLN  12          2HG       GLN  12   0.534  21.959 -17.262
  162   2HG   GLN  12          3HG       GLN  12   2.168  22.398 -17.720
  163   1HE2  GLN  12          1HE2      GLN  12  -0.307  23.957 -17.097
  164   2HE2  GLN  12          2HE2      GLN  12  -0.524  25.061 -18.413
  165    H    GLY  13           HN       GLY  13  -2.381  19.749 -19.777
  166   1HA   GLY  13          1HA       GLY  13  -2.140  19.471 -22.443
  167   2HA   GLY  13          2HA       GLY  13  -1.642  17.891 -21.872
  168    H    GLY  14           HN       GLY  14  -3.299  16.447 -22.021
  169   1HA   GLY  14          1HA       GLY  14  -5.296  15.573 -21.206
  170   2HA   GLY  14          2HA       GLY  14  -5.874  17.186 -20.837
  171    H    GLU  15           HN       GLU  15  -4.866  15.149 -23.673
  172    HA   GLU  15           HA       GLU  15  -7.293  15.565 -24.966
  173   1HB   GLU  15          2HB       GLU  15  -6.348  17.864 -25.291
  174   2HB   GLU  15          3HB       GLU  15  -4.968  17.171 -26.118
  175   1HG   GLU  15          2HG       GLU  15  -6.413  17.777 -27.893
  176   2HG   GLU  15          3HG       GLU  15  -6.701  16.057 -27.715
  177    H    ARG  16           HN       ARG  16  -7.444  14.271 -26.918
  178    HA   ARG  16           HA       ARG  16  -5.206  13.169 -28.117
  179   1HB   ARG  16          2HB       ARG  16  -5.792  11.906 -25.666
  180   2HB   ARG  16          3HB       ARG  16  -6.536  10.852 -26.852
  181   1HG   ARG  16          2HG       ARG  16  -3.923  11.664 -27.827
  182   2HG   ARG  16          3HG       ARG  16  -3.756  11.066 -26.188
  183   1HD   ARG  16          2HD       ARG  16  -3.796   8.968 -27.073
  184   2HD   ARG  16          3HD       ARG  16  -5.509   9.210 -27.346
  185    HE   ARG  16           HE       ARG  16  -4.433  10.411 -29.559
  186   1HH1  ARG  16          2HH2      ARG  16  -3.850   7.276 -28.070
  187   2HH1  ARG  16          1HH2      ARG  16  -3.430   6.503 -29.562
  188   1HH2  ARG  16          2HH1      ARG  16  -3.878   9.391 -31.528
  189   2HH2  ARG  16          1HH1      ARG  16  -3.445   7.715 -31.542
  190    H    ARG  17           HN       ARG  17  -8.501  12.040 -27.026
  191    HA   ARG  17           HA       ARG  17  -9.620  12.525 -29.531
  192   1HB   ARG  17          2HB       ARG  17  -8.235  10.022 -29.316
  193   2HB   ARG  17          3HB       ARG  17  -9.945   9.641 -29.266
  194   1HG   ARG  17          2HG       ARG  17 -10.241  10.170 -31.465
  195   2HG   ARG  17          3HG       ARG  17  -9.349  11.672 -31.312
  196   1HD   ARG  17          2HD       ARG  17  -7.490  10.744 -32.238
  197   2HD   ARG  17          3HD       ARG  17  -7.506   9.423 -31.086
  198    HE   ARG  17           HE       ARG  17  -9.528   8.696 -32.793
  199   1HH1  ARG  17          2HH2      ARG  17  -6.213   9.734 -33.360
  200   2HH1  ARG  17          1HH2      ARG  17  -6.042   8.820 -34.822
  201   1HH2  ARG  17          2HH1      ARG  17  -9.301   7.490 -34.721
  202   2HH2  ARG  17          1HH1      ARG  17  -7.811   7.535 -35.601
  203    H    ARG  18           HN       ARG  18 -11.840  12.737 -29.201
  204    HA   ARG  18           HA       ARG  18 -13.059  11.120 -27.174
  205   1HB   ARG  18          2HB       ARG  18 -14.022  13.044 -25.951
  206   2HB   ARG  18          3HB       ARG  18 -12.272  13.128 -25.914
  207   1HG   ARG  18          2HG       ARG  18 -12.203  15.040 -27.187
  208   2HG   ARG  18          3HG       ARG  18 -13.479  14.498 -28.257
  209   1HD   ARG  18          2HD       ARG  18 -15.146  14.976 -26.372
  210   2HD   ARG  18          3HD       ARG  18 -13.830  15.700 -25.471
  211    HE   ARG  18           HE       ARG  18 -13.992  16.810 -28.147
  212   1HH1  ARG  18          2HH2      ARG  18 -15.460  16.965 -24.953
  213   2HH1  ARG  18          1HH2      ARG  18 -16.029  18.588 -25.153
  214   1HH2  ARG  18          2HH1      ARG  18 -14.744  18.952 -28.412
  215   2HH2  ARG  18          1HH1      ARG  18 -15.620  19.726 -27.134
  216    H    SER  19           HN       SER  19 -13.080  11.719 -30.203
  217    HA   SER  19           HA       SER  19 -15.075  13.157 -31.127
  218   1HB   SER  19          2HB       SER  19 -13.542  11.178 -32.166
  219   2HB   SER  19          3HB       SER  19 -15.067  10.317 -32.097
  220    HG   SER  19           HG       SER  19 -16.046  11.947 -33.398
  221    H    GLN  20           HN       GLN  20 -15.581   9.693 -30.101
  222    HA   GLN  20           HA       GLN  20 -18.325  10.472 -29.485
  223   1HB   GLN  20          2HB       GLN  20 -17.164   7.924 -30.640
  224   2HB   GLN  20          3HB       GLN  20 -18.690   7.876 -29.779
  225   1HG   GLN  20          2HG       GLN  20 -18.172   9.845 -32.047
  226   2HG   GLN  20          3HG       GLN  20 -18.803   8.237 -32.338
  227   1HE2  GLN  20          1HE2      GLN  20 -20.886   8.230 -32.630
  228   2HE2  GLN  20          2HE2      GLN  20 -22.072   9.183 -31.804
  229    H    LEU  21           HN       LEU  21 -16.474  11.038 -27.543
  230    HA   LEU  21           HA       LEU  21 -16.522   8.741 -25.730
  231   1HB   LEU  21          2HB       LEU  21 -14.340   9.626 -26.093
  232   2HB   LEU  21          3HB       LEU  21 -14.881  11.268 -25.804
  233    HG   LEU  21           HG       LEU  21 -13.563   9.899 -23.974
  234   1HD1  LEU  21          1HD1      LEU  21 -15.731  11.287 -22.603
  235   2HD1  LEU  21          2HD1      LEU  21 -13.996  11.672 -22.697
  236   3HD1  LEU  21          3HD1      LEU  21 -15.097  12.205 -23.990
  237   1HD2  LEU  21          1HD2      LEU  21 -16.382   9.192 -23.158
  238   2HD2  LEU  21          2HD2      LEU  21 -15.331   8.063 -24.047
  239   3HD2  LEU  21          3HD2      LEU  21 -14.843   8.657 -22.441
  240    H    ASP  22           HN       ASP  22 -18.710   8.799 -25.080
  241    HA   ASP  22           HA       ASP  22 -19.798  11.260 -24.174
  242   1HB   ASP  22          2HB       ASP  22 -20.854   8.884 -25.089
  243   2HB   ASP  22          3HB       ASP  22 -21.072   8.680 -23.362
  244    H    ARG  23           HN       ARG  23 -20.850  11.271 -21.841
  245    HA   ARG  23           HA       ARG  23 -18.798  10.934 -20.009
  246   1HB   ARG  23          2HB       ARG  23 -20.817  12.543 -19.906
  247   2HB   ARG  23          3HB       ARG  23 -21.773  11.183 -19.352
  248   1HG   ARG  23          2HG       ARG  23 -21.031  12.332 -17.370
  249   2HG   ARG  23          3HG       ARG  23 -20.082  10.862 -17.466
  250   1HD   ARG  23          2HD       ARG  23 -18.109  11.992 -17.981
  251   2HD   ARG  23          3HD       ARG  23 -18.936  13.278 -18.837
  252    HE   ARG  23           HE       ARG  23 -19.775  13.659 -16.237
  253   1HH1  ARG  23          2HH2      ARG  23 -16.602  13.298 -17.713
  254   2HH1  ARG  23          1HH2      ARG  23 -15.798  14.275 -16.529
  255   1HH2  ARG  23          2HH1      ARG  23 -18.716  14.947 -14.674
  256   2HH2  ARG  23          1HH1      ARG  23 -17.010  15.219 -14.789
  257    H    ASP  24           HN       ASP  24 -20.895   8.652 -21.426
  258    HA   ASP  24           HA       ASP  24 -20.378   6.832 -19.215
  259   1HB   ASP  24          2HB       ASP  24 -22.584   5.692 -19.912
  260   2HB   ASP  24          3HB       ASP  24 -22.722   7.202 -19.034
  261    H    GLN  25           HN       GLN  25 -18.949   7.448 -21.794
  262    HA   GLN  25           HA       GLN  25 -19.367   4.872 -23.100
  263   1HB   GLN  25          2HB       GLN  25 -19.706   7.354 -24.274
  264   2HB   GLN  25          3HB       GLN  25 -18.043   6.997 -24.698
  265   1HG   GLN  25          2HG       GLN  25 -18.759   4.774 -25.611
  266   2HG   GLN  25          3HG       GLN  25 -20.421   5.142 -25.196
  267   1HE2  GLN  25          1HE2      GLN  25 -19.368   4.560 -27.778
  268   2HE2  GLN  25          2HE2      GLN  25 -19.638   5.925 -28.808
  269    H    CYS  26           HN       CYS  26 -17.601   3.518 -23.189
  270    HA   CYS  26           HA       CYS  26 -15.359   4.092 -21.675
  271   1HB   CYS  26          2HB       CYS  26 -16.028   1.811 -22.076
  272   2HB   CYS  26          3HB       CYS  26 -15.825   1.988 -23.807
  273    H    ALA  27           HN       ALA  27 -13.453   5.175 -22.151
  274    HA   ALA  27           HA       ALA  27 -13.205   6.186 -24.883
  275   1HB   ALA  27          1HB       ALA  27 -11.403   7.621 -23.571
  276   2HB   ALA  27          2HB       ALA  27 -13.135   8.009 -23.446
  277   3HB   ALA  27          3HB       ALA  27 -12.333   7.092 -22.149
  278    H    TYR  28           HN       TYR  28 -12.634   3.397 -24.355
  279    HA   TYR  28           HA       TYR  28  -9.743   3.450 -24.873
  280   1HB   TYR  28          2HB       TYR  28 -10.786   2.582 -22.537
  281   2HB   TYR  28          3HB       TYR  28 -11.260   1.185 -23.483
  282    HD1  TYR  28           HD1      TYR  28  -8.306   3.184 -22.404
  283    HD2  TYR  28           HD2      TYR  28  -9.709  -0.540 -23.975
  284    HE1  TYR  28           HE1      TYR  28  -6.001   2.164 -22.066
  285    HE2  TYR  28           HE2      TYR  28  -7.400  -1.547 -23.632
  286    HH   TYR  28           HH       TYR  28  -4.957  -0.454 -23.539
  287    H    CYS  29           HN       CYS  29 -12.779   1.459 -25.048
  288    HA   CYS  29           HA       CYS  29 -11.714   0.343 -27.534
  289   1HB   CYS  29          2HB       CYS  29 -13.269  -1.521 -27.200
  290   2HB   CYS  29          3HB       CYS  29 -12.192  -1.342 -25.829
  291    H    LYS  30           HN       LYS  30 -14.144   2.368 -26.004
  292    HA   LYS  30           HA       LYS  30 -15.473   3.859 -27.062
  293   1HB   LYS  30          2HB       LYS  30 -15.449   2.235 -29.606
  294   2HB   LYS  30          3HB       LYS  30 -15.816   3.935 -29.393
  295   1HG   LYS  30          2HG       LYS  30 -13.178   3.509 -28.332
  296   2HG   LYS  30          3HG       LYS  30 -13.245   2.692 -29.881
  297   1HD   LYS  30          2HD       LYS  30 -12.734   4.791 -30.682
  298   2HD   LYS  30          3HD       LYS  30 -14.471   5.005 -30.598
  299   1HE   LYS  30          2HE       LYS  30 -14.010   5.782 -28.113
  300   2HE   LYS  30          3HE       LYS  30 -12.355   5.982 -28.653
  301   1HZ   LYS  30          1HZ       LYS  30 -13.425   7.278 -30.553
  302   2HZ   LYS  30          2HZ       LYS  30 -14.742   7.371 -29.591
  303   3HZ   LYS  30          3HZ       LYS  30 -13.319   7.998 -29.091
  304    H    GLU  31           HN       GLU  31 -15.989   1.310 -25.561
  305    HA   GLU  31           HA       GLU  31 -18.522   0.521 -26.703
  306   1HB   GLU  31          2HB       GLU  31 -16.829  -0.554 -24.417
  307   2HB   GLU  31          3HB       GLU  31 -18.460  -1.127 -24.705
  308   1HG   GLU  31          2HG       GLU  31 -16.502  -1.065 -27.013
  309   2HG   GLU  31          3HG       GLU  31 -16.374  -2.350 -25.828
  310    H    LYS  32           HN       LYS  32 -20.392   1.513 -26.094
  311    HA   LYS  32           HA       LYS  32 -20.336   3.342 -23.890
  312   1HB   LYS  32          2HB       LYS  32 -21.502   3.730 -26.095
  313   2HB   LYS  32          3HB       LYS  32 -22.683   2.526 -25.622
  314   1HG   LYS  32          2HG       LYS  32 -23.362   3.832 -23.680
  315   2HG   LYS  32          3HG       LYS  32 -22.023   4.943 -23.883
  316   1HD   LYS  32          2HD       LYS  32 -23.099   6.146 -25.511
  317   2HD   LYS  32          3HD       LYS  32 -23.713   4.711 -26.307
  318   1HE   LYS  32          2HE       LYS  32 -25.698   4.738 -25.132
  319   2HE   LYS  32          3HE       LYS  32 -24.935   5.253 -23.641
  320   1HZ   LYS  32          1HZ       LYS  32 -26.369   6.822 -25.276
  321   2HZ   LYS  32          2HZ       LYS  32 -25.344   7.359 -24.125
  322   3HZ   LYS  32          3HZ       LYS  32 -24.841   7.237 -25.674
  323    H    GLY  33           HN       GLY  33 -20.859   2.924 -21.810
  324   1HA   GLY  33          1HA       GLY  33 -22.770   1.767 -20.562
  325   2HA   GLY  33          2HA       GLY  33 -22.086   0.304 -21.241
  326    H    HIS  34           HN       HIS  34 -19.375   0.544 -21.061
  327    HA   HIS  34           HA       HIS  34 -19.001   0.880 -18.178
  328   1HB   HIS  34          2HB       HIS  34 -17.296  -0.782 -18.293
  329   2HB   HIS  34          3HB       HIS  34 -18.714  -1.408 -19.112
  330    HD1  HIS  34           HD1      HIS  34 -18.345  -2.335 -21.414
  331    HD2  HIS  34           HD2      HIS  34 -15.266   0.257 -20.231
  332    HE1  HIS  34           HE1      HIS  34 -16.574  -2.443 -23.248
  333    H    TRP  35           HN       TRP  35 -16.839   1.706 -17.470
  334    HA   TRP  35           HA       TRP  35 -16.059   3.885 -19.234
  335   1HB   TRP  35          2HB       TRP  35 -15.987   3.352 -16.324
  336   2HB   TRP  35          3HB       TRP  35 -14.633   4.260 -16.967
  337    HD1  TRP  35           HD1      TRP  35 -18.385   4.611 -18.009
  338    HE1  TRP  35           HE1      TRP  35 -19.206   7.098 -17.685
  339    HE3  TRP  35           HE3      TRP  35 -14.061   6.323 -15.953
  340    HZ2  TRP  35           HZ2      TRP  35 -17.981   9.449 -16.628
  341    HZ3  TRP  35           HZ3      TRP  35 -13.957   8.728 -15.303
  342    HH2  TRP  35           HH2      TRP  35 -15.826  10.273 -15.611
  343    H    ALA  36           HN       ALA  36 -13.663   4.321 -19.481
  344    HA   ALA  36           HA       ALA  36 -12.370   2.075 -20.498
  345   1HB   ALA  36          1HB       ALA  36 -11.282   4.786 -19.637
  346   2HB   ALA  36          2HB       ALA  36 -10.430   3.616 -20.673
  347   3HB   ALA  36          3HB       ALA  36 -11.938   4.374 -21.239
  348    H    LYS  37           HN       LYS  37 -12.351   3.625 -17.277
  349    HA   LYS  37           HA       LYS  37 -10.083   2.256 -16.320
  350   1HB   LYS  37          2HB       LYS  37 -12.388   3.688 -14.989
  351   2HB   LYS  37          3HB       LYS  37 -11.123   2.907 -14.063
  352   1HG   LYS  37          2HG       LYS  37  -9.817   4.734 -14.350
  353   2HG   LYS  37          3HG       LYS  37  -9.772   4.407 -16.071
  354   1HD   LYS  37          2HD       LYS  37 -12.115   5.604 -16.136
  355   2HD   LYS  37          3HD       LYS  37 -11.681   6.217 -14.554
  356   1HE   LYS  37          2HE       LYS  37 -10.004   6.567 -17.086
  357   2HE   LYS  37          3HE       LYS  37 -11.042   7.797 -16.392
  358   1HZ   LYS  37          1HZ       LYS  37  -8.899   8.186 -15.596
  359   2HZ   LYS  37          2HZ       LYS  37  -9.690   7.522 -14.330
  360   3HZ   LYS  37          3HZ       LYS  37  -8.636   6.625 -15.197
  361    H    ASP  38           HN       ASP  38 -13.145   1.140 -17.287
  362    HA   ASP  38           HA       ASP  38 -12.723  -1.243 -15.666
  363   1HB   ASP  38          2HB       ASP  38 -14.856   0.439 -15.318
  364   2HB   ASP  38          3HB       ASP  38 -15.504  -0.592 -16.578
  365    H    CYS  39           HN       CYS  39 -11.851  -0.447 -18.437
  366    HA   CYS  39           HA       CYS  39 -13.624  -1.690 -20.272
  367   1HB   CYS  39          2HB       CYS  39 -12.064   0.165 -20.875
  368   2HB   CYS  39          3HB       CYS  39 -10.711  -0.927 -20.652
  369    HA   PRO  40           HA       PRO  40 -12.155  -5.737 -19.478
  370   1HB   PRO  40          2HB       PRO  40 -13.503  -7.060 -21.452
  371   2HB   PRO  40          3HB       PRO  40 -14.223  -6.653 -19.907
  372   1HG   PRO  40          2HG       PRO  40 -14.655  -5.389 -22.544
  373   2HG   PRO  40          3HG       PRO  40 -15.649  -5.291 -21.104
  374   1HD   PRO  40          2HD       PRO  40 -13.862  -3.278 -22.094
  375   2HD   PRO  40          3HD       PRO  40 -14.768  -3.230 -20.596
  376    H    LYS  41           HN       LYS  41 -11.202  -3.781 -21.882
  377    HA   LYS  41           HA       LYS  41  -9.718  -5.842 -23.292
  378   1HB   LYS  41          2HB       LYS  41 -10.932  -3.511 -24.110
  379   2HB   LYS  41          3HB       LYS  41  -9.254  -3.019 -23.995
  380   1HG   LYS  41          2HG       LYS  41  -8.829  -5.350 -25.256
  381   2HG   LYS  41          3HG       LYS  41 -10.495  -5.138 -25.754
  382   1HD   LYS  41          2HD       LYS  41  -9.835  -3.668 -27.345
  383   2HD   LYS  41          3HD       LYS  41  -9.218  -2.597 -26.102
  384   1HE   LYS  41          2HE       LYS  41  -7.324  -3.047 -27.476
  385   2HE   LYS  41          3HE       LYS  41  -7.091  -4.077 -26.078
  386   1HZ   LYS  41          1HZ       LYS  41  -7.733  -5.927 -27.270
  387   2HZ   LYS  41          2HZ       LYS  41  -8.489  -5.077 -28.441
  388   3HZ   LYS  41          3HZ       LYS  41  -6.859  -5.092 -28.368
  389    H    LYS  42           HN       LYS  42  -9.394  -3.604 -20.640
  390    HA   LYS  42           HA       LYS  42  -6.739  -2.944 -20.732
  391   1HB   LYS  42          2HB       LYS  42  -8.787  -3.285 -18.602
  392   2HB   LYS  42          3HB       LYS  42  -7.117  -3.260 -18.074
  393   1HG   LYS  42          2HG       LYS  42  -6.796  -1.125 -19.437
  394   2HG   LYS  42          3HG       LYS  42  -8.520  -1.128 -19.750
  395   1HD   LYS  42          2HD       LYS  42  -9.061  -0.506 -17.590
  396   2HD   LYS  42          3HD       LYS  42  -7.754  -1.431 -16.877
  397   1HE   LYS  42          2HE       LYS  42  -6.453   0.424 -16.752
  398   2HE   LYS  42          3HE       LYS  42  -6.590   0.679 -18.480
  399   1HZ   LYS  42          1HZ       LYS  42  -7.638   2.508 -17.752
  400   2HZ   LYS  42          2HZ       LYS  42  -8.943   1.527 -17.721
  401   3HZ   LYS  42          3HZ       LYS  42  -8.131   1.847 -16.341
  402    HA   PRO  43           HA       PRO  43  -5.084  -7.015 -20.559
  403   1HB   PRO  43          2HB       PRO  43  -2.594  -6.375 -21.486
  404   2HB   PRO  43          3HB       PRO  43  -3.933  -6.786 -22.540
  405   1HG   PRO  43          2HG       PRO  43  -2.757  -4.131 -21.987
  406   2HG   PRO  43          3HG       PRO  43  -3.782  -4.621 -23.321
  407   1HD   PRO  43          2HD       PRO  43  -4.570  -3.099 -21.021
  408   2HD   PRO  43          3HD       PRO  43  -5.617  -3.689 -22.296
  409    H    ARG  44           HN       ARG  44  -5.008  -7.662 -18.480
  410    HA   ARG  44           HA       ARG  44  -3.923  -6.257 -16.483
  411   1HB   ARG  44          2HB       ARG  44  -5.075  -8.712 -16.681
  412   2HB   ARG  44          3HB       ARG  44  -3.418  -9.228 -16.441
  413   1HG   ARG  44          2HG       ARG  44  -3.899  -7.126 -14.551
  414   2HG   ARG  44          3HG       ARG  44  -5.295  -8.184 -14.486
  415   1HD   ARG  44          2HD       ARG  44  -2.762  -9.698 -14.619
  416   2HD   ARG  44          3HD       ARG  44  -2.818  -8.630 -13.231
  417    HE   ARG  44           HE       ARG  44  -4.617  -9.881 -12.335
  418   1HH1  ARG  44          2HH2      ARG  44  -3.896 -10.929 -15.617
  419   2HH1  ARG  44          1HH2      ARG  44  -4.876 -12.354 -15.514
  420   1HH2  ARG  44          2HH1      ARG  44  -5.910 -11.761 -12.199
  421   2HH2  ARG  44          1HH1      ARG  44  -6.029 -12.830 -13.557
  422    H    GLY  45           HN       GLY  45  -1.848  -5.955 -15.552
  423   1HA   GLY  45          1HA       GLY  45   0.385  -6.057 -17.218
  424   2HA   GLY  45          2HA       GLY  45   0.393  -5.826 -15.480
  425    HA   PRO  46           HA       PRO  46   2.430  -6.007 -15.888
  426   1HB   PRO  46          2HB       PRO  46   4.915  -6.778 -16.725
  427   2HB   PRO  46          3HB       PRO  46   4.434  -6.761 -15.040
  428   1HG   PRO  46          2HG       PRO  46   4.763  -9.074 -16.851
  429   2HG   PRO  46          3HG       PRO  46   4.704  -9.051 -15.100
  430   1HD   PRO  46          2HD       PRO  46   2.601  -9.855 -16.876
  431   2HD   PRO  46          3HD       PRO  46   2.506  -9.720 -15.132
  432    H    ARG  47           HN       ARG  47   2.464  -4.372 -17.338
  433    HA   ARG  47           HA       ARG  47   3.046  -5.116 -20.033
  434   1HB   ARG  47          2HB       ARG  47   0.497  -5.480 -19.595
  435   2HB   ARG  47          3HB       ARG  47   0.383  -3.735 -19.482
  436   1HG   ARG  47          2HG       ARG  47   0.269  -3.621 -21.741
  437   2HG   ARG  47          3HG       ARG  47   1.904  -4.245 -21.836
  438   1HD   ARG  47          2HD       ARG  47   0.400  -6.550 -21.317
  439   2HD   ARG  47          3HD       ARG  47  -0.664  -5.624 -22.358
  440    HE   ARG  47           HE       ARG  47   0.850  -5.895 -24.142
  441   1HH1  ARG  47          2HH2      ARG  47   2.372  -6.875 -21.124
  442   2HH1  ARG  47          1HH2      ARG  47   3.752  -7.576 -21.899
  443   1HH2  ARG  47          2HH1      ARG  47   2.671  -6.820 -25.166
  444   2HH2  ARG  47          1HH1      ARG  47   3.924  -7.544 -24.214
  445    H    GLY  48           HN       GLY  48   3.600  -3.239 -21.348
  446   1HA   GLY  48          1HA       GLY  48   3.276  -0.589 -20.242
  447   2HA   GLY  48          2HA       GLY  48   4.920  -1.192 -20.189
  448    HA   PRO  49           HA       PRO  49   3.773   0.325 -24.452
  449   1HB   PRO  49          2HB       PRO  49   4.496   2.959 -24.385
  450   2HB   PRO  49          3HB       PRO  49   2.841   2.414 -24.197
  451   1HG   PRO  49          2HG       PRO  49   4.711   3.410 -22.135
  452   2HG   PRO  49          3HG       PRO  49   2.967   3.269 -22.058
  453   1HD   PRO  49          2HD       PRO  49   4.886   1.527 -20.829
  454   2HD   PRO  49          3HD       PRO  49   3.146   1.321 -20.850
  455    H    ARG  50           HN       ARG  50   5.166   0.454 -26.234
  456    HA   ARG  50           HA       ARG  50   7.933   0.695 -25.387
  457   1HB   ARG  50          2HB       ARG  50   6.598  -1.570 -26.870
  458   2HB   ARG  50          3HB       ARG  50   8.227  -1.145 -27.354
  459   1HG   ARG  50          2HG       ARG  50   9.146  -1.674 -25.233
  460   2HG   ARG  50          3HG       ARG  50   7.607  -1.506 -24.411
  461   1HD   ARG  50          2HD       ARG  50   8.253  -3.721 -26.418
  462   2HD   ARG  50          3HD       ARG  50   8.342  -3.908 -24.678
  463    HE   ARG  50           HE       ARG  50   5.787  -2.988 -24.978
  464   1HH1  ARG  50          2HH2      ARG  50   7.560  -5.531 -26.643
  465   2HH1  ARG  50          1HH2      ARG  50   6.147  -6.477 -26.972
  466   1HH2  ARG  50          2HH1      ARG  50   3.922  -4.236 -25.412
  467   2HH2  ARG  50          1HH1      ARG  50   4.064  -5.735 -26.268
  468    HA   PRO  51           HA       PRO  51   8.178   3.198 -28.952
  469   1HB   PRO  51          2HB       PRO  51  10.870   3.217 -29.420
  470   2HB   PRO  51          3HB       PRO  51  10.102   4.217 -28.203
  471   1HG   PRO  51          2HG       PRO  51  11.711   1.765 -27.839
  472   2HG   PRO  51          3HG       PRO  51  11.303   2.994 -26.660
  473   1HD   PRO  51          2HD       PRO  51  10.119   0.393 -26.908
  474   2HD   PRO  51          3HD       PRO  51   9.633   1.665 -25.805
  475    H    GLN  52           HN       GLN  52  10.300   0.390 -29.297
  476    HA   GLN  52           HA       GLN  52  10.525  -1.041 -30.914
  477   1HB   GLN  52          2HB       GLN  52   7.943  -1.086 -30.699
  478   2HB   GLN  52          3HB       GLN  52   7.909  -0.109 -32.152
  479   1HG   GLN  52          2HG       GLN  52   7.730  -2.351 -32.942
  480   2HG   GLN  52          3HG       GLN  52   9.400  -1.915 -33.245
  481   1HE2  GLN  52          1HE2      GLN  52   9.857  -4.158 -33.277
  482   2HE2  GLN  52          2HE2      GLN  52  10.081  -5.062 -31.816
  483    H    THR  53           HN       THR  53  12.370   0.115 -31.742
  484    HA   THR  53           HA       THR  53  11.927   1.123 -34.420
  485    HB   THR  53           HB       THR  53  11.647   3.126 -32.915
  486    HG1  THR  53           HG1      THR  53  14.223   2.934 -34.310
  487   1HG2  THR  53          1HG2      THR  53  14.608   2.720 -32.279
  488   2HG2  THR  53          2HG2      THR  53  13.514   3.964 -31.626
  489   3HG2  THR  53          3HG2      THR  53  13.324   2.263 -31.134
  490    H    SER  54           HN       SER  54  13.431   0.331 -35.754
  491    HA   SER  54           HA       SER  54  15.461  -1.268 -34.663
  492   1HB   SER  54          2HB       SER  54  14.170  -1.106 -37.095
  493   2HB   SER  54          3HB       SER  54  15.729  -0.417 -37.504
  494    HG   SER  54           HG       SER  54  15.318  -2.910 -37.568
  495    H    LEU  55           HN       LEU  55  16.762   0.134 -33.322
  496    HA   LEU  55           HA       LEU  55  18.459   1.939 -34.895
  497   1HB   LEU  55          2HB       LEU  55  16.998   3.336 -33.660
  498   2HB   LEU  55          3HB       LEU  55  17.192   2.386 -32.199
  499    HG   LEU  55           HG       LEU  55  19.713   3.099 -32.392
  500   1HD1  LEU  55          1HD1      LEU  55  19.263   4.149 -34.678
  501   2HD1  LEU  55          2HD1      LEU  55  18.475   5.473 -33.785
  502   3HD1  LEU  55          3HD1      LEU  55  20.195   5.109 -33.504
  503   1HD2  LEU  55          1HD2      LEU  55  17.394   4.735 -31.390
  504   2HD2  LEU  55          2HD2      LEU  55  18.560   3.746 -30.478
  505   3HD2  LEU  55          3HD2      LEU  55  19.071   5.296 -31.190
  506    H    LEU  56           HN       LEU  56  19.794  -0.033 -35.151
  507    HA   LEU  56           HA       LEU  56  21.298  -1.545 -34.475
  508   1HB   LEU  56          2HB       LEU  56  22.360   0.814 -34.583
  509   2HB   LEU  56          3HB       LEU  56  22.458   0.689 -32.837
  510    HG   LEU  56           HG       LEU  56  23.532  -1.640 -34.313
  511   1HD1  LEU  56          1HD1      LEU  56  25.654   0.228 -34.352
  512   2HD1  LEU  56          2HD1      LEU  56  24.860  -0.572 -35.729
  513   3HD1  LEU  56          3HD1      LEU  56  24.267   1.004 -35.153
  514   1HD2  LEU  56          1HD2      LEU  56  23.827  -1.661 -31.982
  515   2HD2  LEU  56          2HD2      LEU  56  25.417  -1.214 -32.645
  516   3HD2  LEU  56          3HD2      LEU  56  24.360   0.036 -31.943
  Start of MODEL   16
    1   1H5*    U 517          1H5*        U 517  -1.420  -0.040 -28.433
    2   2H5*    U 517          2H5*        U 517  -2.107   0.879 -27.093
    3    H4*    U 517           H4*        U 517  -1.980   2.165 -29.191
    4    H3*    U 517           H3*        U 517  -4.680   1.672 -27.948
    5    H2*    U 517           H2*        U 517  -5.649   3.134 -29.546
    6   2HO*    U 517          2HO*        U 517  -4.315   4.684 -30.318
    7    H1*    U 517           H1*        U 517  -4.240   1.970 -31.696
    8    H3     U 517           H3         U 517  -8.776   1.131 -32.068
    9    H5     U 517           H5         U 517  -7.179  -2.026 -29.827
   10    H6     U 517           H6         U 517  -5.094  -0.742 -29.687
   11   1H5*    U 518          1H5*        U 518  -5.430   6.799 -29.306
   12   2H5*    U 518          2H5*        U 518  -5.380   6.860 -27.544
   13    H4*    U 518           H4*        U 518  -7.605   7.371 -28.477
   14    H3*    U 518           H3*        U 518  -7.256   5.045 -26.612
   15    H2*    U 518           H2*        U 518  -9.583   4.607 -26.673
   16   2HO*    U 518          2HO*        U 518 -10.369   6.685 -26.652
   17    H1*    U 518           H1*        U 518  -9.655   4.960 -29.518
   18    H3     U 518           H3         U 518 -10.617   0.618 -29.853
   19    H5     U 518           H5         U 518  -7.312   0.587 -27.282
   20    H6     U 518           H6         U 518  -7.311   3.036 -27.415
   21   1H5*    U 519          1H5*        U 519  -9.228   7.592 -24.457
   22   2H5*    U 519          2H5*        U 519  -8.735   9.181 -23.871
   23    H4*    U 519           H4*        U 519 -10.067   8.203 -22.180
   24    H3*    U 519           H3*        U 519  -7.142   8.283 -21.546
   25    H2*    U 519           H2*        U 519  -7.530   7.294 -19.415
   26   2HO*    U 519          2HO*        U 519  -9.512   8.419 -19.106
   27    H1*    U 519           H1*        U 519  -9.064   5.212 -20.460
   28    H3     U 519           H3         U 519  -4.892   3.733 -19.071
   29    H5     U 519           H5         U 519  -4.541   4.642 -23.145
   30    H6     U 519           H6         U 519  -6.755   5.687 -23.000
   31   1H5*    U 520          1H5*        U 520  -6.414  12.982 -20.040
   32   2H5*    U 520          2H5*        U 520  -7.860  13.689 -19.322
   33    H4*    U 520           H4*        U 520  -6.904  14.956 -21.252
   34    H3*    U 520           H3*        U 520  -9.763  13.992 -21.333
   35    H2*    U 520           H2*        U 520 -10.077  15.175 -23.334
   36   2HO*    U 520          2HO*        U 520  -7.486  16.333 -22.916
   37    H1*    U 520           H1*        U 520  -7.350  14.537 -24.172
   38    H3     U 520           H3         U 520  -9.301  12.907 -27.859
   39    H5     U 520           H5         U 520 -11.272  10.838 -24.799
   40    H6     U 520           H6         U 520  -9.998  12.191 -23.198
   41   1H5*    G 521          1H5*        G 521  -9.954  12.902 -18.083
   42   2H5*    G 521          2H5*        G 521 -10.619  13.209 -19.688
   43    H4*    G 521           H4*        G 521 -12.362  14.404 -17.771
   44    H3*    G 521           H3*        G 521 -11.353  11.717 -16.933
   45    H2*    G 521           H2*        G 521 -13.553  10.987 -16.399
   46   2HO*    G 521          2HO*        G 521 -14.345  13.640 -17.184
   47    H1*    G 521           H1*        G 521 -14.632  11.796 -18.832
   48    H8     G 521           H8         G 521 -11.159  10.246 -18.270
   49    H1     G 521           H1         G 521 -15.558   6.362 -20.998
   50   1H2     G 521          1H2         G 521 -17.352   7.363 -21.164
   51   2H2     G 521          2H2         G 521 -17.625   9.011 -20.642
   52   1H5*    C 522          1H5*        C 522 -12.853  14.769 -14.337
   53   2H5*    C 522          2H5*        C 522 -11.787  15.231 -13.011
   54    H4*    C 522           H4*        C 522 -13.903  15.826 -12.258
   55    H3*    C 522           H3*        C 522 -13.145  13.145 -11.106
   56    H2*    C 522           H2*        C 522 -15.131  13.138  -9.848
   57   2HO*    C 522          2HO*        C 522 -15.756  15.767 -10.728
   58    H1*    C 522           H1*        C 522 -16.605  14.329 -12.046
   59   1H4     C 522          1H4         C 522 -18.925   8.402 -11.731
   60   2H4     C 522          2H4         C 522 -17.395   7.763 -12.287
   61    H5     C 522           H5         C 522 -15.475   9.087 -12.663
   62    H6     C 522           H6         C 522 -14.542  11.372 -12.598
   63   1H5*    U 523          1H5*        U 523 -10.343  16.989  -7.819
   64   2H5*    U 523          2H5*        U 523 -12.018  16.803  -8.342
   65    H4*    U 523           H4*        U 523 -11.462  18.505  -9.710
   66    H3*    U 523           H3*        U 523 -10.542  16.058 -11.198
   67    H2*    U 523           H2*        U 523  -9.816  17.441 -12.992
   68   2HO*    U 523          2HO*        U 523 -11.327  19.033 -13.061
   69    H1*    U 523           H1*        U 523  -8.457  19.205 -11.277
   70    H3     U 523           H3         U 523  -4.447  17.103 -11.317
   71    H5     U 523           H5         U 523  -7.084  14.252 -12.888
   72    H6     U 523           H6         U 523  -8.915  15.783 -12.329
   73   1H    ALA   1           HN       ALA   1  21.950  13.507   9.740
   74    HA   ALA   1           HA       ALA   1  19.125  12.843   9.689
   75   1HB   ALA   1          1HB       ALA   1  19.582  15.549  10.442
   76   2HB   ALA   1          2HB       ALA   1  19.167  14.175  11.495
   77   3HB   ALA   1          3HB       ALA   1  20.873  14.579  11.190
   78    H    THR   2           HN       THR   2  17.683  13.571   8.166
   79    HA   THR   2           HA       THR   2  18.144  15.867   6.591
   80    HB   THR   2           HB       THR   2  19.856  14.266   5.600
   81    HG1  THR   2           HG1      THR   2  18.893  14.661   3.415
   82   1HG2  THR   2          1HG2      THR   2  18.929  12.470   4.112
   83   2HG2  THR   2          2HG2      THR   2  18.601  12.123   5.828
   84   3HG2  THR   2          3HG2      THR   2  17.308  12.767   4.787
   85    H    VAL   3           HN       VAL   3  16.360  16.343   5.169
   86    HA   VAL   3           HA       VAL   3  14.104  14.507   5.444
   87    HB   VAL   3           HB       VAL   3  14.033  16.182   7.280
   88   1HG1  VAL   3          1HG1      VAL   3  14.072  18.436   6.975
   89   2HG1  VAL   3          2HG1      VAL   3  14.984  17.985   5.513
   90   3HG1  VAL   3          3HG1      VAL   3  13.245  18.351   5.401
   91   1HG2  VAL   3          1HG2      VAL   3  12.002  15.126   6.033
   92   2HG2  VAL   3          2HG2      VAL   3  11.729  16.486   7.148
   93   3HG2  VAL   3          3HG2      VAL   3  11.761  16.769   5.390
   94    H    VAL   4           HN       VAL   4  12.803  14.420   3.620
   95    HA   VAL   4           HA       VAL   4  12.710  16.479   1.711
   96    HB   VAL   4           HB       VAL   4  15.038  15.714   1.344
   97   1HG1  VAL   4          1HG1      VAL   4  14.710  13.346  -0.114
   98   2HG1  VAL   4          2HG1      VAL   4  15.479  13.527   1.482
   99   3HG1  VAL   4          3HG1      VAL   4  13.754  13.105   1.368
  100   1HG2  VAL   4          1HG2      VAL   4  14.897  16.093  -0.893
  101   2HG2  VAL   4          2HG2      VAL   4  13.638  14.859  -1.136
  102   3HG2  VAL   4          3HG2      VAL   4  13.203  16.458  -0.486
  103    H    SER   5           HN       SER   5  11.089  16.050   0.138
  104    HA   SER   5           HA       SER   5  10.118  13.553  -0.434
  105   1HB   SER   5          2HB       SER   5   9.418  14.138   2.170
  106   2HB   SER   5          3HB       SER   5   8.020  14.747   1.306
  107    HG   SER   5           HG       SER   5   8.554  12.201   1.936
  108    H    GLY   6           HN       GLY   6   8.309  13.690  -1.945
  109   1HA   GLY   6          1HA       GLY   6   6.717  15.918  -2.377
  110   2HA   GLY   6          2HA       GLY   6   8.168  16.162  -3.328
  111    H    GLN   7           HN       GLN   7   5.442  15.710  -4.337
  112    HA   GLN   7           HA       GLN   7   6.110  13.543  -6.085
  113   1HB   GLN   7          2HB       GLN   7   4.676  12.772  -3.934
  114   2HB   GLN   7          3HB       GLN   7   3.347  13.357  -4.916
  115   1HG   GLN   7          2HG       GLN   7   4.589  11.918  -6.826
  116   2HG   GLN   7          3HG       GLN   7   5.230  11.059  -5.438
  117   1HE2  GLN   7          1HE2      GLN   7   3.696  10.280  -3.822
  118   2HE2  GLN   7          2HE2      GLN   7   2.136   9.715  -4.320
  119    H    LYS   8           HN       LYS   8   5.675  14.267  -8.123
  120    HA   LYS   8           HA       LYS   8   3.486  16.211  -8.383
  121   1HB   LYS   8          2HB       LYS   8   6.299  16.306  -9.273
  122   2HB   LYS   8          3HB       LYS   8   5.136  16.720 -10.516
  123   1HG   LYS   8          2HG       LYS   8   4.031  18.273  -8.755
  124   2HG   LYS   8          3HG       LYS   8   5.464  18.019  -7.780
  125   1HD   LYS   8          2HD       LYS   8   6.466  18.634 -10.354
  126   2HD   LYS   8          3HD       LYS   8   5.108  19.722 -10.145
  127   1HE   LYS   8          2HE       LYS   8   6.195  20.084  -7.717
  128   2HE   LYS   8          3HE       LYS   8   7.648  19.522  -8.521
  129   1HZ   LYS   8          1HZ       LYS   8   6.248  21.435 -10.068
  130   2HZ   LYS   8          2HZ       LYS   8   6.662  22.032  -8.605
  131   3HZ   LYS   8          3HZ       LYS   8   7.811  21.429  -9.597
  132    H    GLN   9           HN       GLN   9   2.456  16.207 -10.593
  133    HA   GLN   9           HA       GLN   9   2.863  13.871 -12.154
  134   1HB   GLN   9          2HB       GLN   9   0.742  13.924 -10.104
  135   2HB   GLN   9          3HB       GLN   9   0.116  13.597 -11.708
  136   1HG   GLN   9          2HG       GLN   9   1.911  11.806 -11.967
  137   2HG   GLN   9          3HG       GLN   9   2.351  12.072 -10.293
  138   1HE2  GLN   9          1HE2      GLN   9   1.102   9.810 -11.874
  139   2HE2  GLN   9          2HE2      GLN   9  -0.284   9.319 -10.959
  140    H    ASP  10           HN       ASP  10   1.669  13.973 -14.206
  141    HA   ASP  10           HA       ASP  10  -0.177  15.968 -14.725
  142   1HB   ASP  10          2HB       ASP  10   1.069  17.625 -15.906
  143   2HB   ASP  10          3HB       ASP  10   1.963  17.365 -14.422
  144    H    ARG  11           HN       ARG  11  -1.275  14.990 -16.432
  145    HA   ARG  11           HA       ARG  11   0.203  13.102 -18.020
  146   1HB   ARG  11          2HB       ARG  11  -2.715  13.672 -17.484
  147   2HB   ARG  11          3HB       ARG  11  -2.312  12.856 -18.981
  148   1HG   ARG  11          2HG       ARG  11  -2.228  10.917 -17.806
  149   2HG   ARG  11          3HG       ARG  11  -0.757  11.510 -17.058
  150   1HD   ARG  11          2HD       ARG  11  -1.811  11.628 -15.052
  151   2HD   ARG  11          3HD       ARG  11  -2.953  12.785 -15.707
  152    HE   ARG  11           HE       ARG  11  -3.382   9.893 -15.371
  153   1HH1  ARG  11          2HH2      ARG  11  -4.486  12.842 -16.943
  154   2HH1  ARG  11          1HH2      ARG  11  -6.084  12.240 -17.235
  155   1HH2  ARG  11          2HH1      ARG  11  -5.489   9.099 -15.757
  156   2HH2  ARG  11          1HH1      ARG  11  -6.658  10.097 -16.557
  157    H    GLN  12           HN       GLN  12   0.020  13.112 -20.431
  158    HA   GLN  12           HA       GLN  12   0.245  15.779 -21.392
  159   1HB   GLN  12          2HB       GLN  12   1.753  13.921 -22.131
  160   2HB   GLN  12          3HB       GLN  12   0.389  13.124 -22.889
  161   1HG   GLN  12          2HG       GLN  12   0.750  14.352 -24.758
  162   2HG   GLN  12          3HG       GLN  12   0.328  15.798 -23.861
  163   1HE2  GLN  12          1HE2      GLN  12   1.844  17.233 -23.293
  164   2HE2  GLN  12          2HE2      GLN  12   3.537  17.099 -23.636
  165    H    GLY  13           HN       GLY  13  -1.859  16.706 -21.227
  166   1HA   GLY  13          1HA       GLY  13  -4.266  15.608 -21.899
  167   2HA   GLY  13          2HA       GLY  13  -3.858  17.303 -22.076
  168    H    GLY  14           HN       GLY  14  -5.674  16.203 -23.854
  169   1HA   GLY  14          1HA       GLY  14  -4.214  15.449 -26.271
  170   2HA   GLY  14          2HA       GLY  14  -5.948  15.419 -26.017
  171    H    GLU  15           HN       GLU  15  -5.384  16.505 -28.348
  172    HA   GLU  15           HA       GLU  15  -4.622  19.193 -28.270
  173   1HB   GLU  15          2HB       GLU  15  -5.008  17.285 -30.240
  174   2HB   GLU  15          3HB       GLU  15  -6.369  18.355 -30.518
  175   1HG   GLU  15          2HG       GLU  15  -4.594  20.293 -30.329
  176   2HG   GLU  15          3HG       GLU  15  -3.408  19.026 -30.577
  177    H    ARG  16           HN       ARG  16  -7.873  17.787 -29.124
  178    HA   ARG  16           HA       ARG  16  -9.261  19.261 -27.276
  179   1HB   ARG  16          2HB       ARG  16 -10.274  21.052 -28.650
  180   2HB   ARG  16          3HB       ARG  16  -8.533  21.248 -28.608
  181   1HG   ARG  16          2HG       ARG  16  -8.337  20.930 -30.856
  182   2HG   ARG  16          3HG       ARG  16  -9.357  19.505 -30.828
  183   1HD   ARG  16          2HD       ARG  16 -10.663  20.975 -32.112
  184   2HD   ARG  16          3HD       ARG  16 -11.339  21.231 -30.515
  185    HE   ARG  16           HE       ARG  16  -9.126  23.034 -30.949
  186   1HH1  ARG  16          2HH2      ARG  16 -12.489  22.518 -31.845
  187   2HH1  ARG  16          1HH2      ARG  16 -12.801  24.197 -32.142
  188   1HH2  ARG  16          2HH1      ARG  16  -9.536  25.248 -31.341
  189   2HH2  ARG  16          1HH1      ARG  16 -11.110  25.759 -31.853
  190    H    ARG  17           HN       ARG  17 -11.721  19.214 -27.795
  191    HA   ARG  17           HA       ARG  17 -13.486  18.128 -28.399
  192   1HB   ARG  17          2HB       ARG  17 -11.850  17.879 -30.936
  193   2HB   ARG  17          3HB       ARG  17 -13.358  16.994 -30.825
  194   1HG   ARG  17          2HG       ARG  17 -13.336  19.922 -30.067
  195   2HG   ARG  17          3HG       ARG  17 -13.304  19.494 -31.766
  196   1HD   ARG  17          2HD       ARG  17 -15.428  18.434 -31.680
  197   2HD   ARG  17          3HD       ARG  17 -15.347  18.185 -29.947
  198    HE   ARG  17           HE       ARG  17 -16.264  20.309 -29.642
  199   1HH1  ARG  17          2HH2      ARG  17 -14.839  20.148 -32.856
  200   2HH1  ARG  17          1HH2      ARG  17 -15.413  21.713 -33.327
  201   1HH2  ARG  17          2HH1      ARG  17 -17.021  22.374 -30.264
  202   2HH2  ARG  17          1HH1      ARG  17 -16.662  22.988 -31.843
  203    H    ARG  18           HN       ARG  18 -14.444  15.907 -28.581
  204    HA   ARG  18           HA       ARG  18 -12.585  13.746 -28.648
  205   1HB   ARG  18          2HB       ARG  18 -13.328  12.836 -26.410
  206   2HB   ARG  18          3HB       ARG  18 -12.403  14.319 -26.276
  207   1HG   ARG  18          2HG       ARG  18 -14.945  15.348 -26.500
  208   2HG   ARG  18          3HG       ARG  18 -15.294  13.827 -25.702
  209   1HD   ARG  18          2HD       ARG  18 -14.435  14.562 -23.723
  210   2HD   ARG  18          3HD       ARG  18 -12.954  15.108 -24.485
  211    HE   ARG  18           HE       ARG  18 -13.869  17.279 -24.715
  212   1HH1  ARG  18          2HH2      ARG  18 -16.331  15.012 -23.626
  213   2HH1  ARG  18          1HH2      ARG  18 -17.474  16.250 -23.222
  214   1HH2  ARG  18          2HH1      ARG  18 -15.377  18.912 -24.184
  215   2HH2  ARG  18          1HH1      ARG  18 -16.927  18.483 -23.543
  216    H    SER  19           HN       SER  19 -14.393  14.078 -30.561
  217    HA   SER  19           HA       SER  19 -16.313  13.504 -31.470
  218   1HB   SER  19          2HB       SER  19 -14.795  11.333 -31.059
  219   2HB   SER  19          3HB       SER  19 -16.152  10.841 -30.067
  220    HG   SER  19           HG       SER  19 -16.653  10.069 -32.091
  221    H    GLN  20           HN       GLN  20 -18.142  11.306 -30.380
  222    HA   GLN  20           HA       GLN  20 -19.639  13.080 -28.672
  223   1HB   GLN  20          2HB       GLN  20 -20.244  10.833 -30.503
  224   2HB   GLN  20          3HB       GLN  20 -21.187  10.797 -29.026
  225   1HG   GLN  20          2HG       GLN  20 -20.899  13.360 -30.639
  226   2HG   GLN  20          3HG       GLN  20 -22.114  12.166 -31.052
  227   1HE2  GLN  20          1HE2      GLN  20 -23.255  14.338 -30.519
  228   2HE2  GLN  20          2HE2      GLN  20 -23.904  14.477 -28.919
  229    H    LEU  21           HN       LEU  21 -17.203  11.875 -27.590
  230    HA   LEU  21           HA       LEU  21 -17.538   9.580 -26.160
  231   1HB   LEU  21          2HB       LEU  21 -15.483  10.990 -26.436
  232   2HB   LEU  21          3HB       LEU  21 -16.111  12.059 -25.197
  233    HG   LEU  21           HG       LEU  21 -14.988   9.303 -24.951
  234   1HD1  LEU  21          1HD1      LEU  21 -14.183  11.877 -24.233
  235   2HD1  LEU  21          2HD1      LEU  21 -14.665  11.107 -22.702
  236   3HD1  LEU  21          3HD1      LEU  21 -13.440  10.338 -23.738
  237   1HD2  LEU  21          1HD2      LEU  21 -17.054  10.431 -23.042
  238   2HD2  LEU  21          2HD2      LEU  21 -17.209   8.970 -24.048
  239   3HD2  LEU  21          3HD2      LEU  21 -16.019   9.018 -22.724
  240    H    ASP  22           HN       ASP  22 -19.526   9.140 -25.246
  241    HA   ASP  22           HA       ASP  22 -20.982  11.080 -23.870
  242   1HB   ASP  22          2HB       ASP  22 -21.439   8.514 -24.820
  243   2HB   ASP  22          3HB       ASP  22 -21.402   8.236 -23.090
  244    H    ARG  23           HN       ARG  23 -21.555  10.883 -21.447
  245    HA   ARG  23           HA       ARG  23 -19.205  10.862 -19.961
  246   1HB   ARG  23          2HB       ARG  23 -21.296  12.200 -19.442
  247   2HB   ARG  23          3HB       ARG  23 -22.092  10.716 -18.955
  248   1HG   ARG  23          2HG       ARG  23 -21.198  11.913 -16.982
  249   2HG   ARG  23          3HG       ARG  23 -20.410  10.358 -17.170
  250   1HD   ARG  23          2HD       ARG  23 -18.368  11.331 -17.434
  251   2HD   ARG  23          3HD       ARG  23 -18.967  12.404 -18.684
  252    HE   ARG  23           HE       ARG  23 -20.002  13.580 -16.449
  253   1HH1  ARG  23          2HH2      ARG  23 -16.766  12.399 -17.165
  254   2HH1  ARG  23          1HH2      ARG  23 -15.980  13.544 -16.130
  255   1HH2  ARG  23          2HH1      ARG  23 -18.966  15.091 -15.083
  256   2HH2  ARG  23          1HH1      ARG  23 -17.240  15.086 -14.938
  257    H    ASP  24           HN       ASP  24 -21.062   8.300 -21.168
  258    HA   ASP  24           HA       ASP  24 -20.018   6.562 -19.079
  259   1HB   ASP  24          2HB       ASP  24 -22.544   6.880 -18.956
  260   2HB   ASP  24          3HB       ASP  24 -22.663   6.184 -20.560
  261    H    GLN  25           HN       GLN  25 -19.098   7.484 -21.848
  262    HA   GLN  25           HA       GLN  25 -19.335   4.957 -23.270
  263   1HB   GLN  25          2HB       GLN  25 -19.738   7.525 -24.186
  264   2HB   GLN  25          3HB       GLN  25 -18.066   7.270 -24.646
  265   1HG   GLN  25          2HG       GLN  25 -19.163   4.867 -25.425
  266   2HG   GLN  25          3HG       GLN  25 -20.538   5.929 -25.656
  267   1HE2  GLN  25          1HE2      GLN  25 -19.621   4.806 -27.833
  268   2HE2  GLN  25          2HE2      GLN  25 -18.719   5.888 -28.841
  269    H    CYS  26           HN       CYS  26 -17.636   3.569 -23.074
  270    HA   CYS  26           HA       CYS  26 -15.341   4.130 -21.714
  271   1HB   CYS  26          2HB       CYS  26 -16.057   1.855 -22.147
  272   2HB   CYS  26          3HB       CYS  26 -15.829   2.054 -23.873
  273    H    ALA  27           HN       ALA  27 -13.397   5.139 -22.230
  274    HA   ALA  27           HA       ALA  27 -13.208   6.202 -24.952
  275   1HB   ALA  27          1HB       ALA  27 -11.749   7.026 -22.411
  276   2HB   ALA  27          2HB       ALA  27 -11.748   7.885 -23.969
  277   3HB   ALA  27          3HB       ALA  27 -13.244   7.783 -23.010
  278    H    TYR  28           HN       TYR  28 -12.656   3.407 -24.476
  279    HA   TYR  28           HA       TYR  28  -9.785   3.436 -25.081
  280   1HB   TYR  28          2HB       TYR  28 -10.788   2.596 -22.690
  281   2HB   TYR  28          3HB       TYR  28 -11.196   1.163 -23.615
  282    HD1  TYR  28           HD1      TYR  28  -8.229   3.423 -23.123
  283    HD2  TYR  28           HD2      TYR  28  -9.674  -0.581 -23.557
  284    HE1  TYR  28           HE1      TYR  28  -5.874   2.528 -22.788
  285    HE2  TYR  28           HE2      TYR  28  -7.313  -1.461 -23.220
  286    HH   TYR  28           HH       TYR  28  -5.148  -0.862 -23.259
  287    H    CYS  29           HN       CYS  29 -12.783   1.374 -25.040
  288    HA   CYS  29           HA       CYS  29 -11.849   0.244 -27.570
  289   1HB   CYS  29          2HB       CYS  29 -13.336  -1.637 -27.124
  290   2HB   CYS  29          3HB       CYS  29 -12.229  -1.398 -25.786
  291    H    LYS  30           HN       LYS  30 -13.856   2.619 -26.221
  292    HA   LYS  30           HA       LYS  30 -15.374   3.952 -27.134
  293   1HB   LYS  30          2HB       LYS  30 -14.395   2.501 -29.482
  294   2HB   LYS  30          3HB       LYS  30 -16.061   3.013 -29.654
  295   1HG   LYS  30          2HG       LYS  30 -13.811   4.868 -28.746
  296   2HG   LYS  30          3HG       LYS  30 -14.339   4.728 -30.411
  297   1HD   LYS  30          2HD       LYS  30 -16.561   5.551 -29.874
  298   2HD   LYS  30          3HD       LYS  30 -16.269   5.410 -28.151
  299   1HE   LYS  30          2HE       LYS  30 -15.612   7.586 -28.186
  300   2HE   LYS  30          3HE       LYS  30 -14.167   7.057 -29.023
  301   1HZ   LYS  30          1HZ       LYS  30 -15.225   8.697 -30.318
  302   2HZ   LYS  30          2HZ       LYS  30 -15.445   7.282 -31.102
  303   3HZ   LYS  30          3HZ       LYS  30 -16.675   7.948 -30.260
  304    H    GLU  31           HN       GLU  31 -15.846   1.358 -25.646
  305    HA   GLU  31           HA       GLU  31 -18.416   0.592 -26.706
  306   1HB   GLU  31          2HB       GLU  31 -16.843  -1.160 -25.918
  307   2HB   GLU  31          3HB       GLU  31 -16.838  -0.455 -24.314
  308   1HG   GLU  31          2HG       GLU  31 -18.899  -1.323 -23.777
  309   2HG   GLU  31          3HG       GLU  31 -19.560  -1.016 -25.370
  310    H    LYS  32           HN       LYS  32 -20.336   1.405 -25.960
  311    HA   LYS  32           HA       LYS  32 -20.191   3.235 -23.708
  312   1HB   LYS  32          2HB       LYS  32 -21.224   4.036 -25.761
  313   2HB   LYS  32          3HB       LYS  32 -22.353   2.696 -25.765
  314   1HG   LYS  32          2HG       LYS  32 -22.644   3.815 -23.192
  315   2HG   LYS  32          3HG       LYS  32 -22.450   5.210 -24.237
  316   1HD   LYS  32          2HD       LYS  32 -24.696   4.962 -24.608
  317   2HD   LYS  32          3HD       LYS  32 -24.196   3.730 -25.749
  318   1HE   LYS  32          2HE       LYS  32 -24.966   2.012 -24.433
  319   2HE   LYS  32          3HE       LYS  32 -24.363   2.739 -22.956
  320   1HZ   LYS  32          1HZ       LYS  32 -26.306   4.405 -23.530
  321   2HZ   LYS  32          2HZ       LYS  32 -26.926   3.065 -24.228
  322   3HZ   LYS  32          3HZ       LYS  32 -26.543   3.056 -22.641
  323    H    GLY  33           HN       GLY  33 -20.680   2.599 -21.684
  324   1HA   GLY  33          1HA       GLY  33 -22.764   1.502 -20.598
  325   2HA   GLY  33          2HA       GLY  33 -22.120   0.059 -21.358
  326    H    HIS  34           HN       HIS  34 -19.262   1.219 -21.021
  327    HA   HIS  34           HA       HIS  34 -19.039   0.995 -18.126
  328   1HB   HIS  34          2HB       HIS  34 -17.339  -0.686 -18.238
  329   2HB   HIS  34          3HB       HIS  34 -18.763  -1.274 -19.075
  330    HD1  HIS  34           HD1      HIS  34 -18.501  -1.956 -21.511
  331    HD2  HIS  34           HD2      HIS  34 -15.170   0.115 -20.024
  332    HE1  HIS  34           HE1      HIS  34 -16.691  -2.135 -23.300
  333    H    TRP  35           HN       TRP  35 -16.887   1.763 -17.326
  334    HA   TRP  35           HA       TRP  35 -16.045   4.006 -18.957
  335   1HB   TRP  35          2HB       TRP  35 -15.930   3.251 -16.097
  336   2HB   TRP  35          3HB       TRP  35 -14.569   4.178 -16.697
  337    HD1  TRP  35           HD1      TRP  35 -18.290   4.720 -17.737
  338    HE1  TRP  35           HE1      TRP  35 -19.064   7.178 -17.169
  339    HE3  TRP  35           HE3      TRP  35 -13.990   6.094 -15.396
  340    HZ2  TRP  35           HZ2      TRP  35 -17.819   9.372 -15.834
  341    HZ3  TRP  35           HZ3      TRP  35 -13.851   8.412 -14.489
  342    HH2  TRP  35           HH2      TRP  35 -15.676  10.028 -14.677
  343    H    ALA  36           HN       ALA  36 -13.689   4.394 -19.323
  344    HA   ALA  36           HA       ALA  36 -12.459   2.187 -20.477
  345   1HB   ALA  36          1HB       ALA  36 -11.909   4.383 -21.231
  346   2HB   ALA  36          2HB       ALA  36 -11.470   4.918 -19.591
  347   3HB   ALA  36          3HB       ALA  36 -10.434   3.758 -20.456
  348    H    LYS  37           HN       LYS  37 -12.338   3.544 -17.178
  349    HA   LYS  37           HA       LYS  37 -10.045   2.117 -16.367
  350   1HB   LYS  37          2HB       LYS  37 -12.287   3.540 -14.939
  351   2HB   LYS  37          3HB       LYS  37 -11.097   2.619 -14.041
  352   1HG   LYS  37          2HG       LYS  37  -9.361   3.989 -15.552
  353   2HG   LYS  37          3HG       LYS  37 -10.703   5.103 -15.720
  354   1HD   LYS  37          2HD       LYS  37 -10.247   4.190 -12.927
  355   2HD   LYS  37          3HD       LYS  37  -8.900   5.082 -13.608
  356   1HE   LYS  37          2HE       LYS  37 -10.190   7.042 -13.948
  357   2HE   LYS  37          3HE       LYS  37 -11.708   6.167 -13.947
  358   1HZ   LYS  37          1HZ       LYS  37 -10.855   7.475 -11.867
  359   2HZ   LYS  37          2HZ       LYS  37 -11.755   6.122 -11.711
  360   3HZ   LYS  37          3HZ       LYS  37 -10.134   6.051 -11.526
  361    H    ASP  38           HN       ASP  38 -13.322   1.190 -17.055
  362    HA   ASP  38           HA       ASP  38 -12.850  -1.296 -15.607
  363   1HB   ASP  38          2HB       ASP  38 -14.972   0.374 -15.276
  364   2HB   ASP  38          3HB       ASP  38 -15.588  -0.569 -16.619
  365    H    CYS  39           HN       CYS  39 -12.043  -0.274 -18.424
  366    HA   CYS  39           HA       CYS  39 -13.685  -1.498 -20.321
  367   1HB   CYS  39          2HB       CYS  39 -11.997   0.275 -20.804
  368   2HB   CYS  39          3HB       CYS  39 -10.718  -0.891 -20.532
  369    HA   PRO  40           HA       PRO  40 -12.486  -5.634 -19.509
  370   1HB   PRO  40          2HB       PRO  40 -13.898  -6.857 -21.504
  371   2HB   PRO  40          3HB       PRO  40 -14.603  -6.419 -19.960
  372   1HG   PRO  40          2HG       PRO  40 -14.937  -5.108 -22.589
  373   2HG   PRO  40          3HG       PRO  40 -15.935  -4.964 -21.156
  374   1HD   PRO  40          2HD       PRO  40 -14.022  -3.055 -22.116
  375   2HD   PRO  40          3HD       PRO  40 -14.934  -2.963 -20.622
  376    H    LYS  41           HN       LYS  41 -11.399  -3.721 -21.889
  377    HA   LYS  41           HA       LYS  41  -9.960  -5.889 -23.212
  378   1HB   LYS  41          2HB       LYS  41 -11.235  -4.027 -24.456
  379   2HB   LYS  41          3HB       LYS  41  -9.923  -2.968 -23.979
  380   1HG   LYS  41          2HG       LYS  41  -8.386  -4.922 -24.946
  381   2HG   LYS  41          3HG       LYS  41  -9.842  -5.380 -25.806
  382   1HD   LYS  41          2HD       LYS  41  -9.620  -3.661 -27.279
  383   2HD   LYS  41          3HD       LYS  41  -9.426  -2.490 -25.990
  384   1HE   LYS  41          2HE       LYS  41  -7.188  -4.322 -26.976
  385   2HE   LYS  41          3HE       LYS  41  -7.418  -2.676 -27.529
  386   1HZ   LYS  41          1HZ       LYS  41  -7.012  -3.432 -24.719
  387   2HZ   LYS  41          2HZ       LYS  41  -5.845  -2.856 -25.705
  388   3HZ   LYS  41          3HZ       LYS  41  -7.113  -1.909 -25.302
  389    H    LYS  42           HN       LYS  42  -9.664  -3.487 -20.722
  390    HA   LYS  42           HA       LYS  42  -6.970  -2.858 -20.922
  391   1HB   LYS  42          2HB       LYS  42  -9.082  -2.742 -18.853
  392   2HB   LYS  42          3HB       LYS  42  -7.444  -2.796 -18.235
  393   1HG   LYS  42          2HG       LYS  42  -6.913  -0.931 -19.984
  394   2HG   LYS  42          3HG       LYS  42  -8.649  -0.758 -20.148
  395   1HD   LYS  42          2HD       LYS  42  -8.927  -0.033 -17.903
  396   2HD   LYS  42          3HD       LYS  42  -7.402  -0.726 -17.385
  397   1HE   LYS  42          2HE       LYS  42  -6.225   1.146 -17.962
  398   2HE   LYS  42          3HE       LYS  42  -7.025   1.277 -19.516
  399   1HZ   LYS  42          1HZ       LYS  42  -7.849   3.078 -18.463
  400   2HZ   LYS  42          2HZ       LYS  42  -8.995   2.009 -18.002
  401   3HZ   LYS  42          3HZ       LYS  42  -7.797   2.417 -16.970
  402    HA   PRO  43           HA       PRO  43  -5.435  -6.884 -20.086
  403   1HB   PRO  43          2HB       PRO  43  -2.872  -6.422 -20.918
  404   2HB   PRO  43          3HB       PRO  43  -4.154  -6.933 -21.998
  405   1HG   PRO  43          2HG       PRO  43  -2.935  -4.255 -21.705
  406   2HG   PRO  43          3HG       PRO  43  -3.888  -4.888 -23.032
  407   1HD   PRO  43          2HD       PRO  43  -4.772  -3.070 -20.997
  408   2HD   PRO  43          3HD       PRO  43  -5.755  -3.792 -22.256
  409    H    ARG  44           HN       ARG  44  -3.199  -7.701 -19.021
  410    HA   ARG  44           HA       ARG  44  -3.282  -6.259 -16.524
  411   1HB   ARG  44          2HB       ARG  44  -2.779  -9.044 -17.365
  412   2HB   ARG  44          3HB       ARG  44  -1.574  -8.488 -16.221
  413   1HG   ARG  44          2HG       ARG  44  -3.389  -7.763 -14.658
  414   2HG   ARG  44          3HG       ARG  44  -4.597  -8.311 -15.805
  415   1HD   ARG  44          2HD       ARG  44  -3.865 -10.632 -15.586
  416   2HD   ARG  44          3HD       ARG  44  -2.456 -10.162 -14.657
  417    HE   ARG  44           HE       ARG  44  -4.925  -9.249 -13.411
  418   1HH1  ARG  44          2HH2      ARG  44  -2.807 -12.032 -13.797
  419   2HH1  ARG  44          1HH2      ARG  44  -3.313 -12.784 -12.322
  420   1HH2  ARG  44          2HH1      ARG  44  -5.594 -10.241 -11.464
  421   2HH2  ARG  44          1HH1      ARG  44  -4.909 -11.758 -10.985
  422    H    GLY  45           HN       GLY  45  -1.979  -4.403 -17.204
  423   1HA   GLY  45          1HA       GLY  45   0.150  -3.504 -16.772
  424   2HA   GLY  45          2HA       GLY  45   0.897  -5.020 -17.240
  425    HA   PRO  46           HA       PRO  46   2.477  -3.703 -17.517
  426   1HB   PRO  46          2HB       PRO  46   4.127  -1.640 -18.214
  427   2HB   PRO  46          3HB       PRO  46   4.341  -3.278 -18.799
  428   1HG   PRO  46          2HG       PRO  46   3.282  -0.922 -20.236
  429   2HG   PRO  46          3HG       PRO  46   3.894  -2.425 -20.895
  430   1HD   PRO  46          2HD       PRO  46   1.143  -1.654 -20.652
  431   2HD   PRO  46          3HD       PRO  46   1.753  -3.202 -21.204
  432    H    ARG  47           HN       ARG  47   2.292  -3.025 -15.465
  433    HA   ARG  47           HA       ARG  47   0.444  -1.010 -15.009
  434   1HB   ARG  47          2HB       ARG  47   1.022  -1.301 -12.636
  435   2HB   ARG  47          3HB       ARG  47   0.983  -2.873 -13.409
  436   1HG   ARG  47          2HG       ARG  47   3.629  -2.113 -13.803
  437   2HG   ARG  47          3HG       ARG  47   3.282  -1.401 -12.240
  438   1HD   ARG  47          2HD       ARG  47   2.205  -3.799 -11.733
  439   2HD   ARG  47          3HD       ARG  47   3.244  -4.318 -13.046
  440    HE   ARG  47           HE       ARG  47   4.092  -3.530 -10.378
  441   1HH1  ARG  47          2HH2      ARG  47   5.104  -3.615 -13.747
  442   2HH1  ARG  47          1HH2      ARG  47   6.795  -3.637 -13.372
  443   1HH2  ARG  47          2HH1      ARG  47   6.323  -3.559  -9.882
  444   2HH2  ARG  47          1HH1      ARG  47   7.493  -3.605 -11.159
  445    H    GLY  48           HN       GLY  48   0.873   1.058 -13.731
  446   1HA   GLY  48          1HA       GLY  48   1.853   3.076 -13.588
  447   2HA   GLY  48          2HA       GLY  48   3.360   2.209 -13.372
  448    HA   PRO  49           HA       PRO  49   2.815   3.501 -17.930
  449   1HB   PRO  49          2HB       PRO  49   1.332   5.756 -18.360
  450   2HB   PRO  49          3HB       PRO  49   0.698   4.137 -18.575
  451   1HG   PRO  49          2HG       PRO  49   0.192   6.048 -16.377
  452   2HG   PRO  49          3HG       PRO  49  -0.732   4.630 -16.834
  453   1HD   PRO  49          2HD       PRO  49   1.079   4.859 -14.621
  454   2HD   PRO  49          3HD       PRO  49   0.244   3.410 -15.147
  455    H    ARG  50           HN       ARG  50   3.492   5.610 -19.272
  456    HA   ARG  50           HA       ARG  50   4.738   7.532 -17.660
  457   1HB   ARG  50          2HB       ARG  50   7.119   6.973 -18.292
  458   2HB   ARG  50          3HB       ARG  50   6.399   5.785 -17.224
  459   1HG   ARG  50          2HG       ARG  50   5.693   4.694 -19.622
  460   2HG   ARG  50          3HG       ARG  50   7.146   5.537 -20.120
  461   1HD   ARG  50          2HD       ARG  50   8.447   4.396 -18.326
  462   2HD   ARG  50          3HD       ARG  50   6.996   3.587 -17.769
  463    HE   ARG  50           HE       ARG  50   7.160   2.086 -19.563
  464   1HH1  ARG  50          2HH2      ARG  50   9.233   4.862 -20.174
  465   2HH1  ARG  50          1HH2      ARG  50   9.982   4.157 -21.567
  466   1HH2  ARG  50          2HH1      ARG  50   8.148   1.155 -21.401
  467   2HH2  ARG  50          1HH1      ARG  50   9.361   2.035 -22.270
  468    HA   PRO  51           HA       PRO  51   3.994   8.464 -22.072
  469   1HB   PRO  51          2HB       PRO  51   2.157  10.459 -21.743
  470   2HB   PRO  51          3HB       PRO  51   1.716   8.787 -22.028
  471   1HG   PRO  51          2HG       PRO  51   1.603  10.330 -19.509
  472   2HG   PRO  51          3HG       PRO  51   0.790   8.832 -19.916
  473   1HD   PRO  51          2HD       PRO  51   3.109   9.130 -18.254
  474   2HD   PRO  51          3HD       PRO  51   2.365   7.624 -18.756
  475    H    GLN  52           HN       GLN  52   5.115   9.880 -23.335
  476    HA   GLN  52           HA       GLN  52   6.145  12.139 -21.805
  477   1HB   GLN  52          2HB       GLN  52   7.608   9.964 -23.051
  478   2HB   GLN  52          3HB       GLN  52   8.033  11.469 -23.843
  479   1HG   GLN  52          2HG       GLN  52   8.262  12.428 -21.399
  480   2HG   GLN  52          3HG       GLN  52   8.310  10.747 -20.906
  481   1HE2  GLN  52          1HE2      GLN  52  10.090  13.362 -21.895
  482   2HE2  GLN  52          2HE2      GLN  52  11.570  12.592 -22.361
  483    H    THR  53           HN       THR  53   6.097  10.877 -25.224
  484    HA   THR  53           HA       THR  53   4.529  13.136 -26.072
  485    HB   THR  53           HB       THR  53   6.905  14.033 -25.898
  486    HG1  THR  53           HG1      THR  53   5.758  13.536 -28.558
  487   1HG2  THR  53          1HG2      THR  53   8.550  13.295 -27.550
  488   2HG2  THR  53          2HG2      THR  53   8.049  11.859 -26.625
  489   3HG2  THR  53          3HG2      THR  53   7.392  12.141 -28.254
  490    H    SER  54           HN       SER  54   3.111  12.391 -27.510
  491    HA   SER  54           HA       SER  54   3.790   9.889 -28.794
  492   1HB   SER  54          2HB       SER  54   1.518  10.610 -27.521
  493   2HB   SER  54          3HB       SER  54   1.094  11.177 -29.124
  494    HG   SER  54           HG       SER  54   0.433   9.093 -29.230
  495    H    LEU  55           HN       LEU  55   3.506   9.607 -31.133
  496    HA   LEU  55           HA       LEU  55   4.537  11.710 -32.629
  497   1HB   LEU  55          2HB       LEU  55   3.872   8.980 -32.975
  498   2HB   LEU  55          3HB       LEU  55   3.084   9.859 -34.270
  499    HG   LEU  55           HG       LEU  55   6.028  10.150 -33.623
  500   1HD1  LEU  55          1HD1      LEU  55   5.251   7.788 -34.273
  501   2HD1  LEU  55          2HD1      LEU  55   4.944   8.478 -35.884
  502   3HD1  LEU  55          3HD1      LEU  55   6.586   8.518 -35.197
  503   1HD2  LEU  55          1HD2      LEU  55   4.192  11.335 -35.607
  504   2HD2  LEU  55          2HD2      LEU  55   5.728  11.942 -34.944
  505   3HD2  LEU  55          3HD2      LEU  55   5.740  10.744 -36.259
  506    H    LEU  56           HN       LEU  56   1.213  10.269 -32.954
  507    HA   LEU  56           HA       LEU  56   0.333  12.834 -34.007
  508   1HB   LEU  56          2HB       LEU  56  -0.563  10.015 -34.174
  509   2HB   LEU  56          3HB       LEU  56  -1.826  11.231 -34.176
  510    HG   LEU  56           HG       LEU  56  -1.201  10.606 -36.443
  511   1HD1  LEU  56          1HD1      LEU  56  -1.529  13.167 -35.496
  512   2HD1  LEU  56          2HD1      LEU  56  -0.048  13.301 -36.476
  513   3HD1  LEU  56          3HD1      LEU  56  -1.546  12.676 -37.209
  514   1HD2  LEU  56          1HD2      LEU  56   1.227  10.083 -35.740
  515   2HD2  LEU  56          2HD2      LEU  56   0.931  10.753 -37.363
  516   3HD2  LEU  56          3HD2      LEU  56   1.532  11.807 -36.060
  Start of MODEL   17
    1   1H5*    U 517          1H5*        U 517  -0.566   2.789 -29.662
    2   2H5*    U 517          2H5*        U 517  -1.902   3.385 -28.677
    3    H4*    U 517           H4*        U 517  -2.238   2.140 -31.022
    4    H3*    U 517           H3*        U 517  -4.017   2.312 -28.623
    5    H2*    U 517           H2*        U 517  -5.592   0.835 -29.601
    6   2HO*    U 517          2HO*        U 517  -5.537   1.474 -31.716
    7    H1*    U 517           H1*        U 517  -3.755  -1.096 -30.299
    8    H3     U 517           H3         U 517  -5.208  -3.154 -26.597
    9    H5     U 517           H5         U 517  -3.485   0.346 -25.074
   10    H6     U 517           H6         U 517  -3.087   1.041 -27.391
   11   1H5*    U 518          1H5*        U 518  -6.162   7.347 -29.615
   12   2H5*    U 518          2H5*        U 518  -5.252   6.537 -28.341
   13    H4*    U 518           H4*        U 518  -7.964   6.629 -28.508
   14    H3*    U 518           H3*        U 518  -6.164   4.621 -27.139
   15    H2*    U 518           H2*        U 518  -8.062   3.483 -26.402
   16   2HO*    U 518          2HO*        U 518 -10.079   4.735 -26.362
   17    H1*    U 518           H1*        U 518  -9.508   4.296 -28.838
   18    H3     U 518           H3         U 518 -10.264   0.102 -30.173
   19    H5     U 518           H5         U 518  -6.789  -0.313 -27.873
   20    H6     U 518           H6         U 518  -6.822   2.120 -27.564
   21   1H5*    U 519          1H5*        U 519  -8.347   7.069 -24.622
   22   2H5*    U 519          2H5*        U 519  -7.543   8.524 -24.035
   23    H4*    U 519           H4*        U 519  -9.318   7.791 -22.526
   24    H3*    U 519           H3*        U 519  -6.491   7.792 -21.509
   25    H2*    U 519           H2*        U 519  -7.270   7.192 -19.341
   26   2HO*    U 519          2HO*        U 519  -9.843   7.468 -20.609
   27    H1*    U 519           H1*        U 519  -8.839   5.091 -20.288
   28    H3     U 519           H3         U 519  -5.061   3.550 -18.078
   29    H5     U 519           H5         U 519  -4.070   3.752 -22.141
   30    H6     U 519           H6         U 519  -6.170   4.970 -22.492
   31   1H5*    U 520          1H5*        U 520  -5.484  12.206 -19.507
   32   2H5*    U 520          2H5*        U 520  -6.633  12.397 -18.183
   33    H4*    U 520           H4*        U 520  -6.547  14.457 -19.355
   34    H3*    U 520           H3*        U 520  -9.067  12.889 -19.832
   35    H2*    U 520           H2*        U 520  -9.920  14.618 -21.185
   36   2HO*    U 520          2HO*        U 520  -7.626  16.030 -20.164
   37    H1*    U 520           H1*        U 520  -7.328  15.045 -22.395
   38    H3     U 520           H3         U 520  -8.840  13.679 -26.358
   39    H5     U 520           H5         U 520 -10.801  11.072 -23.733
   40    H6     U 520           H6         U 520  -9.641  12.207 -21.895
   41   1H5*    G 521          1H5*        G 521 -12.324  14.543 -18.401
   42   2H5*    G 521          2H5*        G 521 -11.679  14.779 -16.777
   43    H4*    G 521           H4*        G 521 -13.824  13.914 -16.452
   44    H3*    G 521           H3*        G 521 -11.725  11.792 -16.108
   45    H2*    G 521           H2*        G 521 -13.385  10.206 -15.548
   46   2HO*    G 521          2HO*        G 521 -14.494  11.883 -14.307
   47    H1*    G 521           H1*        G 521 -15.107  11.162 -17.649
   48    H8     G 521           H8         G 521 -11.503   9.831 -17.478
   49    H1     G 521           H1         G 521 -15.660   6.256 -20.917
   50   1H2     G 521          1H2         G 521 -17.516   7.154 -20.904
   51   2H2     G 521          2H2         G 521 -17.891   8.652 -20.082
   52   1H5*    C 522          1H5*        C 522 -10.436  11.713 -11.280
   53   2H5*    C 522          2H5*        C 522 -11.665  10.499 -10.924
   54    H4*    C 522           H4*        C 522 -11.235  12.194  -9.118
   55    H3*    C 522           H3*        C 522 -13.985  11.669 -10.210
   56    H2*    C 522           H2*        C 522 -14.916  13.192  -8.669
   57   2HO*    C 522          2HO*        C 522 -13.472  12.347  -7.015
   58    H1*    C 522           H1*        C 522 -12.748  15.050  -9.069
   59   1H4     C 522          1H4         C 522 -17.450  17.955 -12.207
   60   2H4     C 522          2H4         C 522 -17.749  16.520 -13.162
   61    H5     C 522           H5         C 522 -16.575  14.489 -12.889
   62    H6     C 522           H6         C 522 -14.806  13.324 -11.620
   63   1H5*    U 523          1H5*        U 523 -15.679   8.597  -6.935
   64   2H5*    U 523          2H5*        U 523 -17.092   8.673  -7.988
   65    H4*    U 523           H4*        U 523 -16.680  11.270  -6.877
   66    H3*    U 523           H3*        U 523 -16.429   9.039  -4.861
   67    H2*    U 523           H2*        U 523 -17.637  10.355  -3.312
   68   2HO*    U 523          2HO*        U 523 -17.337  12.375  -5.345
   69    H1*    U 523           H1*        U 523 -19.491  11.191  -5.340
   70    H3     U 523           H3         U 523 -22.462   9.061  -2.741
   71    H5     U 523           H5         U 523 -19.759   6.020  -3.732
   72    H6     U 523           H6         U 523 -18.412   7.723  -4.872
   73   1H    ALA   1           HN       ALA   1  20.174  10.257 -61.166
   74    HA   ALA   1           HA       ALA   1  21.644  11.016 -58.779
   75   1HB   ALA   1          1HB       ALA   1  20.734  12.927 -60.708
   76   2HB   ALA   1          2HB       ALA   1  19.688  13.058 -59.273
   77   3HB   ALA   1          3HB       ALA   1  21.452  13.228 -59.107
   78    H    THR   2           HN       THR   2  20.663   9.890 -57.182
   79    HA   THR   2           HA       THR   2  17.755   9.921 -57.075
   80    HB   THR   2           HB       THR   2  18.394   7.883 -58.411
   81    HG1  THR   2           HG1      THR   2  16.826   6.886 -57.183
   82   1HG2  THR   2          1HG2      THR   2  20.635   7.487 -57.235
   83   2HG2  THR   2          2HG2      THR   2  19.712   6.975 -55.803
   84   3HG2  THR   2          3HG2      THR   2  19.588   6.051 -57.318
   85    H    VAL   3           HN       VAL   3  16.912   9.269 -54.955
   86    HA   VAL   3           HA       VAL   3  18.869   9.066 -52.843
   87    HB   VAL   3           HB       VAL   3  17.993  11.014 -51.637
   88   1HG1  VAL   3          1HG1      VAL   3  18.963  11.935 -54.351
   89   2HG1  VAL   3          2HG1      VAL   3  19.293  12.640 -52.750
   90   3HG1  VAL   3          3HG1      VAL   3  20.021  11.080 -53.203
   91   1HG2  VAL   3          1HG2      VAL   3  16.018  10.985 -53.730
   92   2HG2  VAL   3          2HG2      VAL   3  16.068  11.960 -52.241
   93   3HG2  VAL   3          3HG2      VAL   3  16.852  12.557 -53.724
   94    H    VAL   4           HN       VAL   4  17.704   8.751 -50.679
   95    HA   VAL   4           HA       VAL   4  15.022   7.651 -51.122
   96    HB   VAL   4           HB       VAL   4  15.639   5.752 -49.673
   97   1HG1  VAL   4          1HG1      VAL   4  17.466   4.885 -51.510
   98   2HG1  VAL   4          2HG1      VAL   4  15.705   4.907 -51.766
   99   3HG1  VAL   4          3HG1      VAL   4  16.712   6.240 -52.383
  100   1HG2  VAL   4          1HG2      VAL   4  18.483   6.766 -49.999
  101   2HG2  VAL   4          2HG2      VAL   4  17.533   6.793 -48.494
  102   3HG2  VAL   4          3HG2      VAL   4  17.991   5.238 -49.229
  103    H    SER   5           HN       SER   5  13.630   7.747 -49.271
  104    HA   SER   5           HA       SER   5  14.574   8.682 -46.811
  105   1HB   SER   5          2HB       SER   5  13.329  10.913 -46.875
  106   2HB   SER   5          3HB       SER   5  14.826  10.851 -47.784
  107    HG   SER   5           HG       SER   5  13.511  11.688 -49.301
  108    H    GLY   6           HN       GLY   6  12.645   9.146 -45.291
  109   1HA   GLY   6          1HA       GLY   6  10.001   8.586 -46.121
  110   2HA   GLY   6          2HA       GLY   6  10.741   7.125 -45.496
  111    H    GLN   7           HN       GLN   7   8.594   8.067 -44.101
  112    HA   GLN   7           HA       GLN   7   9.711   8.489 -41.579
  113   1HB   GLN   7          2HB       GLN   7   8.817  10.724 -41.064
  114   2HB   GLN   7          3HB       GLN   7   9.965  10.816 -42.384
  115   1HG   GLN   7          2HG       GLN   7   8.135  10.889 -44.036
  116   2HG   GLN   7          3HG       GLN   7   6.942  10.639 -42.778
  117   1HE2  GLN   7          1HE2      GLN   7   6.233  12.669 -43.976
  118   2HE2  GLN   7          2HE2      GLN   7   6.725  14.189 -43.308
  119    H    LYS   8           HN       LYS   8   7.920   8.697 -39.868
  120    HA   LYS   8           HA       LYS   8   5.866   6.880 -40.524
  121   1HB   LYS   8          2HB       LYS   8   5.153   7.202 -38.222
  122   2HB   LYS   8          3HB       LYS   8   6.891   7.000 -38.305
  123   1HG   LYS   8          2HG       LYS   8   6.674   9.746 -38.546
  124   2HG   LYS   8          3HG       LYS   8   5.297   9.394 -37.519
  125   1HD   LYS   8          2HD       LYS   8   6.634   9.013 -35.725
  126   2HD   LYS   8          3HD       LYS   8   7.601   7.854 -36.617
  127   1HE   LYS   8          2HE       LYS   8   8.085  10.684 -37.400
  128   2HE   LYS   8          3HE       LYS   8   8.502  10.325 -35.736
  129   1HZ   LYS   8          1HZ       LYS   8   9.471   8.891 -38.109
  130   2HZ   LYS   8          2HZ       LYS   8  10.345   9.870 -37.137
  131   3HZ   LYS   8          3HZ       LYS   8   9.793   8.441 -36.572
  132    H    GLN   9           HN       GLN   9   3.476   7.558 -39.722
  133    HA   GLN   9           HA       GLN   9   2.906  10.151 -40.910
  134   1HB   GLN   9          2HB       GLN   9   2.326   7.654 -42.121
  135   2HB   GLN   9          3HB       GLN   9   0.794   8.216 -41.483
  136   1HG   GLN   9          2HG       GLN   9   1.884  10.537 -42.607
  137   2HG   GLN   9          3HG       GLN   9   2.401   9.287 -43.723
  138   1HE2  GLN   9          1HE2      GLN   9  -0.115  11.279 -42.695
  139   2HE2  GLN   9          2HE2      GLN   9  -1.422  10.615 -43.618
  140    H    ASP  10           HN       ASP  10   1.329   7.309 -39.264
  141    HA   ASP  10           HA       ASP  10  -0.775   8.489 -38.181
  142   1HB   ASP  10          2HB       ASP  10  -0.702   6.828 -36.418
  143   2HB   ASP  10          3HB       ASP  10  -0.034   6.096 -37.863
  144    H    ARG  11           HN       ARG  11  -1.232   9.628 -36.129
  145    HA   ARG  11           HA       ARG  11   0.680  10.265 -34.280
  146   1HB   ARG  11          2HB       ARG  11   1.301  11.670 -36.548
  147   2HB   ARG  11          3HB       ARG  11   0.183  12.801 -35.812
  148   1HG   ARG  11          2HG       ARG  11   1.580  12.427 -33.618
  149   2HG   ARG  11          3HG       ARG  11   2.795  11.739 -34.678
  150   1HD   ARG  11          2HD       ARG  11   3.520  13.838 -35.147
  151   2HD   ARG  11          3HD       ARG  11   1.991  14.161 -35.942
  152    HE   ARG  11           HE       ARG  11   1.735  14.416 -33.064
  153   1HH1  ARG  11          2HH2      ARG  11   2.908  16.086 -35.930
  154   2HH1  ARG  11          1HH2      ARG  11   2.728  17.664 -35.241
  155   1HH2  ARG  11          2HH1      ARG  11   1.496  16.499 -32.153
  156   2HH2  ARG  11          1HH1      ARG  11   1.919  17.901 -33.078
  157    H    GLN  12           HN       GLN  12  -0.169  11.917 -32.676
  158    HA   GLN  12           HA       GLN  12  -3.062  11.966 -32.870
  159   1HB   GLN  12          2HB       GLN  12  -3.034  12.313 -30.437
  160   2HB   GLN  12          3HB       GLN  12  -2.059  10.920 -30.858
  161   1HG   GLN  12          2HG       GLN  12  -0.203  12.999 -30.993
  162   2HG   GLN  12          3HG       GLN  12  -1.233  13.508 -29.670
  163   1HE2  GLN  12          1HE2      GLN  12   1.285  12.969 -29.074
  164   2HE2  GLN  12          2HE2      GLN  12   1.469  11.477 -28.214
  165    H    GLY  13           HN       GLY  13  -4.231  13.874 -33.007
  166   1HA   GLY  13          1HA       GLY  13  -3.465  16.366 -32.094
  167   2HA   GLY  13          2HA       GLY  13  -2.841  16.250 -33.727
  168    H    GLY  14           HN       GLY  14  -4.855  18.125 -32.994
  169   1HA   GLY  14          1HA       GLY  14  -6.578  18.620 -34.675
  170   2HA   GLY  14          2HA       GLY  14  -7.212  17.010 -34.397
  171    H    GLU  15           HN       GLU  15  -8.680  19.512 -34.070
  172    HA   GLU  15           HA       GLU  15  -8.920  19.639 -31.176
  173   1HB   GLU  15          2HB       GLU  15  -8.553  21.779 -32.429
  174   2HB   GLU  15          3HB       GLU  15 -10.048  21.511 -33.305
  175   1HG   GLU  15          2HG       GLU  15 -10.217  21.375 -30.311
  176   2HG   GLU  15          3HG       GLU  15  -9.914  22.958 -31.000
  177    H    ARG  16           HN       ARG  16 -10.852  19.093 -30.119
  178    HA   ARG  16           HA       ARG  16 -13.286  18.897 -31.348
  179   1HB   ARG  16          2HB       ARG  16 -11.562  16.527 -31.745
  180   2HB   ARG  16          3HB       ARG  16 -13.076  16.115 -30.964
  181   1HG   ARG  16          2HG       ARG  16 -13.801  17.927 -33.019
  182   2HG   ARG  16          3HG       ARG  16 -12.580  16.901 -33.746
  183   1HD   ARG  16          2HD       ARG  16 -13.889  14.882 -32.821
  184   2HD   ARG  16          3HD       ARG  16 -15.169  16.003 -32.402
  185    HE   ARG  16           HE       ARG  16 -14.258  16.188 -35.197
  186   1HH1  ARG  16          2HH2      ARG  16 -16.535  14.711 -32.957
  187   2HH1  ARG  16          1HH2      ARG  16 -17.685  14.312 -34.190
  188   1HH2  ARG  16          2HH1      ARG  16 -15.775  15.663 -36.823
  189   2HH2  ARG  16          1HH1      ARG  16 -17.249  14.857 -36.404
  190    H    ARG  17           HN       ARG  17 -14.945  17.893 -29.849
  191    HA   ARG  17           HA       ARG  17 -14.125  18.334 -27.179
  192   1HB   ARG  17          2HB       ARG  17 -16.530  17.873 -26.647
  193   2HB   ARG  17          3HB       ARG  17 -16.363  19.039 -27.944
  194   1HG   ARG  17          2HG       ARG  17 -16.386  16.526 -29.250
  195   2HG   ARG  17          3HG       ARG  17 -17.598  16.379 -27.994
  196   1HD   ARG  17          2HD       ARG  17 -19.008  17.484 -29.401
  197   2HD   ARG  17          3HD       ARG  17 -18.098  18.934 -29.021
  198    HE   ARG  17           HE       ARG  17 -16.605  17.700 -31.029
  199   1HH1  ARG  17          2HH2      ARG  17 -19.925  18.822 -30.723
  200   2HH1  ARG  17          1HH2      ARG  17 -20.099  19.169 -32.412
  201   1HH2  ARG  17          2HH1      ARG  17 -16.832  18.156 -33.256
  202   2HH2  ARG  17          1HH1      ARG  17 -18.327  18.788 -33.862
  203    H    ARG  18           HN       ARG  18 -12.464  16.384 -27.623
  204    HA   ARG  18           HA       ARG  18 -11.884  14.290 -27.406
  205   1HB   ARG  18          2HB       ARG  18 -13.815  14.581 -25.051
  206   2HB   ARG  18          3HB       ARG  18 -12.699  13.239 -25.210
  207   1HG   ARG  18          2HG       ARG  18 -10.776  14.833 -25.259
  208   2HG   ARG  18          3HG       ARG  18 -11.884  16.184 -25.121
  209   1HD   ARG  18          2HD       ARG  18 -11.980  13.974 -23.047
  210   2HD   ARG  18          3HD       ARG  18 -10.722  15.190 -22.947
  211    HE   ARG  18           HE       ARG  18 -12.350  16.844 -22.451
  212   1HH1  ARG  18          2HH2      ARG  18 -13.880  13.784 -23.275
  213   2HH1  ARG  18          1HH2      ARG  18 -15.442  14.265 -22.703
  214   1HH2  ARG  18          2HH1      ARG  18 -14.412  17.480 -21.697
  215   2HH2  ARG  18          1HH1      ARG  18 -15.747  16.381 -21.800
  216    H    SER  19           HN       SER  19 -13.563  14.182 -29.477
  217    HA   SER  19           HA       SER  19 -15.156  13.125 -30.549
  218   1HB   SER  19          2HB       SER  19 -13.361  11.393 -30.293
  219   2HB   SER  19          3HB       SER  19 -14.169  10.779 -28.864
  220    HG   SER  19           HG       SER  19 -15.575   9.721 -30.089
  221    H    GLN  20           HN       GLN  20 -16.424  14.550 -28.610
  222    HA   GLN  20           HA       GLN  20 -18.050  14.632 -27.126
  223   1HB   GLN  20          2HB       GLN  20 -19.113  12.796 -29.297
  224   2HB   GLN  20          3HB       GLN  20 -20.144  13.319 -27.980
  225   1HG   GLN  20          2HG       GLN  20 -20.080  15.582 -28.634
  226   2HG   GLN  20          3HG       GLN  20 -18.547  15.410 -29.466
  227   1HE2  GLN  20          1HE2      GLN  20 -19.366  16.387 -31.306
  228   2HE2  GLN  20          2HE2      GLN  20 -20.429  15.584 -32.412
  229    H    LEU  21           HN       LEU  21 -16.190  13.080 -25.928
  230    HA   LEU  21           HA       LEU  21 -16.810  10.463 -25.354
  231   1HB   LEU  21          2HB       LEU  21 -14.767  11.962 -24.785
  232   2HB   LEU  21          3HB       LEU  21 -15.644  12.329 -23.313
  233    HG   LEU  21           HG       LEU  21 -14.501   9.698 -24.223
  234   1HD1  LEU  21          1HD1      LEU  21 -14.323  10.930 -21.482
  235   2HD1  LEU  21          2HD1      LEU  21 -13.235   9.764 -22.272
  236   3HD1  LEU  21          3HD1      LEU  21 -13.258  11.462 -22.805
  237   1HD2  LEU  21          1HD2      LEU  21 -15.669   8.548 -22.420
  238   2HD2  LEU  21          2HD2      LEU  21 -16.555  10.039 -22.021
  239   3HD2  LEU  21          3HD2      LEU  21 -16.824   9.236 -23.587
  240    H    ASP  22           HN       ASP  22 -18.846   9.787 -24.855
  241    HA   ASP  22           HA       ASP  22 -20.597  11.396 -23.379
  242   1HB   ASP  22          2HB       ASP  22 -20.787   9.114 -24.967
  243   2HB   ASP  22          3HB       ASP  22 -21.109   8.469 -23.369
  244    H    ARG  23           HN       ARG  23 -21.459  10.898 -21.175
  245    HA   ARG  23           HA       ARG  23 -19.430  10.297 -19.387
  246   1HB   ARG  23          2HB       ARG  23 -21.534  11.717 -18.987
  247   2HB   ARG  23          3HB       ARG  23 -22.435  10.223 -18.827
  248   1HG   ARG  23          2HG       ARG  23 -21.790  11.007 -16.597
  249   2HG   ARG  23          3HG       ARG  23 -20.930   9.521 -16.949
  250   1HD   ARG  23          2HD       ARG  23 -18.867  10.575 -17.086
  251   2HD   ARG  23          3HD       ARG  23 -19.536  12.043 -17.769
  252    HE   ARG  23           HE       ARG  23 -20.561  12.109 -15.230
  253   1HH1  ARG  23          2HH2      ARG  23 -17.299  11.566 -16.434
  254   2HH1  ARG  23          1HH2      ARG  23 -16.532  12.230 -15.030
  255   1HH2  ARG  23          2HH1      ARG  23 -19.549  12.985 -13.377
  256   2HH2  ARG  23          1HH1      ARG  23 -17.821  13.042 -13.279
  257    H    ASP  24           HN       ASP  24 -21.326   8.252 -21.346
  258    HA   ASP  24           HA       ASP  24 -20.777   6.032 -19.540
  259   1HB   ASP  24          2HB       ASP  24 -23.217   6.556 -21.284
  260   2HB   ASP  24          3HB       ASP  24 -22.825   4.940 -20.730
  261    H    GLN  25           HN       GLN  25 -19.194   7.262 -21.772
  262    HA   GLN  25           HA       GLN  25 -19.324   5.025 -23.643
  263   1HB   GLN  25          2HB       GLN  25 -19.953   7.347 -24.551
  264   2HB   GLN  25          3HB       GLN  25 -18.281   7.809 -24.299
  265   1HG   GLN  25          2HG       GLN  25 -17.476   6.375 -25.973
  266   2HG   GLN  25          3HG       GLN  25 -18.818   5.258 -25.816
  267   1HE2  GLN  25          1HE2      GLN  25 -17.951   8.538 -26.830
  268   2HE2  GLN  25          2HE2      GLN  25 -19.138   8.712 -28.080
  269    H    CYS  26           HN       CYS  26 -17.589   3.679 -23.467
  270    HA   CYS  26           HA       CYS  26 -15.432   4.273 -21.816
  271   1HB   CYS  26          2HB       CYS  26 -16.109   1.983 -22.257
  272   2HB   CYS  26          3HB       CYS  26 -15.745   2.151 -23.962
  273    H    ALA  27           HN       ALA  27 -13.380   5.148 -22.249
  274    HA   ALA  27           HA       ALA  27 -13.061   6.241 -24.951
  275   1HB   ALA  27          1HB       ALA  27 -12.817   7.340 -22.332
  276   2HB   ALA  27          2HB       ALA  27 -11.179   7.273 -23.024
  277   3HB   ALA  27          3HB       ALA  27 -12.475   8.132 -23.890
  278    H    TYR  28           HN       TYR  28 -12.590   3.433 -24.453
  279    HA   TYR  28           HA       TYR  28  -9.693   3.404 -24.923
  280   1HB   TYR  28          2HB       TYR  28 -10.778   2.594 -22.578
  281   2HB   TYR  28          3HB       TYR  28 -11.254   1.188 -23.510
  282    HD1  TYR  28           HD1      TYR  28  -8.244   3.219 -22.605
  283    HD2  TYR  28           HD2      TYR  28  -9.765  -0.604 -23.778
  284    HE1  TYR  28           HE1      TYR  28  -5.955   2.183 -22.223
  285    HE2  TYR  28           HE2      TYR  28  -7.470  -1.628 -23.392
  286    HH   TYR  28           HH       TYR  28  -4.697   0.261 -23.005
  287    H    CYS  29           HN       CYS  29 -12.704   1.361 -25.006
  288    HA   CYS  29           HA       CYS  29 -11.664   0.152 -27.441
  289   1HB   CYS  29          2HB       CYS  29 -13.447  -1.533 -27.112
  290   2HB   CYS  29          3HB       CYS  29 -12.351  -1.434 -25.748
  291    H    LYS  30           HN       LYS  30 -14.224   2.224 -26.069
  292    HA   LYS  30           HA       LYS  30 -15.323   3.825 -27.274
  293   1HB   LYS  30          2HB       LYS  30 -13.854   3.090 -29.304
  294   2HB   LYS  30          3HB       LYS  30 -15.261   2.161 -29.782
  295   1HG   LYS  30          2HG       LYS  30 -15.849   4.132 -30.819
  296   2HG   LYS  30          3HG       LYS  30 -16.501   4.513 -29.238
  297   1HD   LYS  30          2HD       LYS  30 -13.604   5.130 -29.547
  298   2HD   LYS  30          3HD       LYS  30 -14.653   6.062 -30.597
  299   1HE   LYS  30          2HE       LYS  30 -15.654   5.847 -27.807
  300   2HE   LYS  30          3HE       LYS  30 -14.108   6.664 -27.937
  301   1HZ   LYS  30          1HZ       LYS  30 -15.168   8.416 -28.699
  302   2HZ   LYS  30          2HZ       LYS  30 -15.758   7.582 -29.973
  303   3HZ   LYS  30          3HZ       LYS  30 -16.606   7.655 -28.580
  304    H    GLU  31           HN       GLU  31 -16.106   1.434 -25.705
  305    HA   GLU  31           HA       GLU  31 -18.695   0.951 -26.958
  306   1HB   GLU  31          2HB       GLU  31 -16.834  -0.902 -26.050
  307   2HB   GLU  31          3HB       GLU  31 -17.932  -0.791 -24.688
  308   1HG   GLU  31          2HG       GLU  31 -19.002  -1.112 -27.514
  309   2HG   GLU  31          3HG       GLU  31 -18.466  -2.508 -26.600
  310    H    LYS  32           HN       LYS  32 -20.527   1.694 -25.932
  311    HA   LYS  32           HA       LYS  32 -20.117   3.205 -23.507
  312   1HB   LYS  32          2HB       LYS  32 -22.351   4.049 -23.910
  313   2HB   LYS  32          3HB       LYS  32 -21.399   4.153 -25.377
  314   1HG   LYS  32          2HG       LYS  32 -22.470   1.687 -25.766
  315   2HG   LYS  32          3HG       LYS  32 -23.725   2.359 -24.743
  316   1HD   LYS  32          2HD       LYS  32 -24.469   3.778 -26.376
  317   2HD   LYS  32          3HD       LYS  32 -22.846   4.248 -26.840
  318   1HE   LYS  32          2HE       LYS  32 -22.960   2.901 -28.659
  319   2HE   LYS  32          3HE       LYS  32 -23.175   1.502 -27.625
  320   1HZ   LYS  32          1HZ       LYS  32 -25.503   1.856 -27.630
  321   2HZ   LYS  32          2HZ       LYS  32 -25.373   3.285 -28.412
  322   3HZ   LYS  32          3HZ       LYS  32 -25.008   1.895 -29.186
  323    H    GLY  33           HN       GLY  33 -21.140   2.804 -21.499
  324   1HA   GLY  33          1HA       GLY  33 -22.890   1.406 -20.414
  325   2HA   GLY  33          2HA       GLY  33 -22.153   0.037 -21.222
  326    H    HIS  34           HN       HIS  34 -19.358   1.059 -20.939
  327    HA   HIS  34           HA       HIS  34 -19.089   0.888 -18.031
  328   1HB   HIS  34          2HB       HIS  34 -17.294  -0.691 -18.229
  329   2HB   HIS  34          3HB       HIS  34 -18.709  -1.332 -19.041
  330    HD1  HIS  34           HD1      HIS  34 -18.583  -1.686 -21.605
  331    HD2  HIS  34           HD2      HIS  34 -15.125   0.016 -19.949
  332    HE1  HIS  34           HE1      HIS  34 -16.793  -1.793 -23.421
  333    H    TRP  35           HN       TRP  35 -16.698   1.485 -17.399
  334    HA   TRP  35           HA       TRP  35 -16.060   3.893 -18.940
  335   1HB   TRP  35          2HB       TRP  35 -15.813   3.108 -16.071
  336   2HB   TRP  35          3HB       TRP  35 -14.637   4.229 -16.728
  337    HD1  TRP  35           HD1      TRP  35 -18.372   4.315 -17.774
  338    HE1  TRP  35           HE1      TRP  35 -19.497   6.593 -17.061
  339    HE3  TRP  35           HE3      TRP  35 -14.384   6.072 -15.153
  340    HZ2  TRP  35           HZ2      TRP  35 -18.614   8.823 -15.516
  341    HZ3  TRP  35           HZ3      TRP  35 -14.598   8.308 -14.073
  342    HH2  TRP  35           HH2      TRP  35 -16.622   9.671 -14.222
  343    H    ALA  36           HN       ALA  36 -13.700   4.364 -19.252
  344    HA   ALA  36           HA       ALA  36 -12.391   2.219 -20.427
  345   1HB   ALA  36          1HB       ALA  36 -11.518   4.963 -19.477
  346   2HB   ALA  36          2HB       ALA  36 -10.401   3.849 -20.300
  347   3HB   ALA  36          3HB       ALA  36 -11.863   4.422 -21.137
  348    H    LYS  37           HN       LYS  37 -12.297   3.555 -17.106
  349    HA   LYS  37           HA       LYS  37 -10.010   2.132 -16.293
  350   1HB   LYS  37          2HB       LYS  37 -12.214   3.650 -14.963
  351   2HB   LYS  37          3HB       LYS  37 -11.257   2.568 -13.973
  352   1HG   LYS  37          2HG       LYS  37  -9.161   3.680 -14.900
  353   2HG   LYS  37          3HG       LYS  37 -10.192   4.835 -15.720
  354   1HD   LYS  37          2HD       LYS  37 -10.893   4.549 -12.867
  355   2HD   LYS  37          3HD       LYS  37  -9.229   5.049 -13.090
  356   1HE   LYS  37          2HE       LYS  37 -11.007   6.509 -14.912
  357   2HE   LYS  37          3HE       LYS  37 -11.531   6.693 -13.250
  358   1HZ   LYS  37          1HZ       LYS  37  -9.051   7.529 -14.477
  359   2HZ   LYS  37          2HZ       LYS  37  -9.968   8.290 -13.361
  360   3HZ   LYS  37          3HZ       LYS  37  -8.984   7.067 -12.913
  361    H    ASP  38           HN       ASP  38 -13.240   1.159 -17.065
  362    HA   ASP  38           HA       ASP  38 -12.726  -1.355 -15.680
  363   1HB   ASP  38          2HB       ASP  38 -14.798   0.222 -15.073
  364   2HB   ASP  38          3HB       ASP  38 -15.501  -0.482 -16.515
  365    H    CYS  39           HN       CYS  39 -11.948  -0.337 -18.442
  366    HA   CYS  39           HA       CYS  39 -13.703  -1.396 -20.347
  367   1HB   CYS  39          2HB       CYS  39 -11.954   0.311 -20.820
  368   2HB   CYS  39          3HB       CYS  39 -10.716  -0.909 -20.595
  369    HA   PRO  40           HA       PRO  40 -12.695  -5.613 -19.761
  370   1HB   PRO  40          2HB       PRO  40 -14.094  -6.670 -21.857
  371   2HB   PRO  40          3HB       PRO  40 -14.829  -6.278 -20.316
  372   1HG   PRO  40          2HG       PRO  40 -15.019  -4.826 -22.885
  373   2HG   PRO  40          3HG       PRO  40 -16.055  -4.705 -21.476
  374   1HD   PRO  40          2HD       PRO  40 -14.028  -2.841 -22.280
  375   2HD   PRO  40          3HD       PRO  40 -14.984  -2.782 -20.812
  376    H    LYS  41           HN       LYS  41 -11.438  -3.636 -21.997
  377    HA   LYS  41           HA       LYS  41 -10.085  -5.786 -23.427
  378   1HB   LYS  41          2HB       LYS  41 -11.169  -3.535 -24.388
  379   2HB   LYS  41          3HB       LYS  41  -9.579  -2.902 -24.012
  380   1HG   LYS  41          2HG       LYS  41  -8.690  -5.061 -25.247
  381   2HG   LYS  41          3HG       LYS  41 -10.309  -5.156 -25.911
  382   1HD   LYS  41          2HD       LYS  41  -9.829  -3.537 -27.423
  383   2HD   LYS  41          3HD       LYS  41  -9.409  -2.417 -26.141
  384   1HE   LYS  41          2HE       LYS  41  -7.323  -2.521 -27.109
  385   2HE   LYS  41          3HE       LYS  41  -7.159  -3.952 -26.110
  386   1HZ   LYS  41          1HZ       LYS  41  -8.467  -4.701 -28.425
  387   2HZ   LYS  41          2HZ       LYS  41  -7.191  -3.791 -28.883
  388   3HZ   LYS  41          3HZ       LYS  41  -6.960  -5.112 -27.951
  389    H    LYS  42           HN       LYS  42  -9.713  -3.616 -20.736
  390    HA   LYS  42           HA       LYS  42  -6.917  -3.321 -20.828
  391   1HB   LYS  42          2HB       LYS  42  -9.051  -2.979 -18.740
  392   2HB   LYS  42          3HB       LYS  42  -7.366  -2.941 -18.262
  393   1HG   LYS  42          2HG       LYS  42  -7.001  -1.213 -20.146
  394   2HG   LYS  42          3HG       LYS  42  -8.746  -1.133 -20.292
  395   1HD   LYS  42          2HD       LYS  42  -9.024  -0.098 -18.216
  396   2HD   LYS  42          3HD       LYS  42  -7.590  -0.836 -17.529
  397   1HE   LYS  42          2HE       LYS  42  -6.374   1.015 -18.020
  398   2HE   LYS  42          3HE       LYS  42  -6.731   0.821 -19.725
  399   1HZ   LYS  42          1HZ       LYS  42  -7.617   2.818 -18.159
  400   2HZ   LYS  42          2HZ       LYS  42  -8.231   2.424 -19.620
  401   3HZ   LYS  42          3HZ       LYS  42  -8.932   1.854 -18.260
  402    HA   PRO  43           HA       PRO  43  -6.054  -7.488 -19.786
  403   1HB   PRO  43          2HB       PRO  43  -3.381  -7.410 -20.345
  404   2HB   PRO  43          3HB       PRO  43  -4.603  -7.752 -21.553
  405   1HG   PRO  43          2HG       PRO  43  -3.050  -5.271 -21.140
  406   2HG   PRO  43          3HG       PRO  43  -3.942  -5.785 -22.558
  407   1HD   PRO  43          2HD       PRO  43  -4.762  -3.824 -20.633
  408   2HD   PRO  43          3HD       PRO  43  -5.702  -4.422 -21.986
  409    H    ARG  44           HN       ARG  44  -5.719  -8.480 -17.882
  410    HA   ARG  44           HA       ARG  44  -4.048  -6.918 -16.082
  411   1HB   ARG  44          2HB       ARG  44  -6.782  -8.127 -15.663
  412   2HB   ARG  44          3HB       ARG  44  -5.679  -8.146 -14.301
  413   1HG   ARG  44          2HG       ARG  44  -5.569  -5.528 -15.548
  414   2HG   ARG  44          3HG       ARG  44  -7.248  -5.945 -15.266
  415   1HD   ARG  44          2HD       ARG  44  -6.775  -6.414 -12.881
  416   2HD   ARG  44          3HD       ARG  44  -5.063  -6.138 -13.136
  417    HE   ARG  44           HE       ARG  44  -6.472  -3.819 -14.032
  418   1HH1  ARG  44          2HH2      ARG  44  -5.733  -5.518 -11.040
  419   2HH1  ARG  44          1HH2      ARG  44  -5.813  -4.091 -10.061
  420   1HH2  ARG  44          2HH1      ARG  44  -6.578  -1.937 -12.741
  421   2HH2  ARG  44          1HH1      ARG  44  -6.296  -2.041 -11.035
  422    H    GLY  45           HN       GLY  45  -2.425  -8.097 -15.046
  423   1HA   GLY  45          1HA       GLY  45  -2.673 -10.923 -14.592
  424   2HA   GLY  45          2HA       GLY  45  -1.584 -10.541 -15.911
  425    HA   PRO  46           HA       PRO  46  -0.590 -12.150 -15.100
  426   1HB   PRO  46          2HB       PRO  46   0.643 -13.970 -13.477
  427   2HB   PRO  46          3HB       PRO  46   1.490 -13.055 -14.706
  428   1HG   PRO  46          2HG       PRO  46   1.514 -12.684 -11.774
  429   2HG   PRO  46          3HG       PRO  46   2.650 -12.083 -12.965
  430   1HD   PRO  46          2HD       PRO  46   0.595 -10.582 -11.643
  431   2HD   PRO  46          3HD       PRO  46   1.654 -10.012 -12.917
  432    H    ARG  47           HN       ARG  47  -2.297 -13.496 -15.308
  433    HA   ARG  47           HA       ARG  47  -4.232 -13.272 -13.352
  434   1HB   ARG  47          2HB       ARG  47  -3.823 -14.966 -15.811
  435   2HB   ARG  47          3HB       ARG  47  -5.076 -15.478 -14.697
  436   1HG   ARG  47          2HG       ARG  47  -5.261 -12.600 -15.086
  437   2HG   ARG  47          3HG       ARG  47  -5.216 -13.390 -16.650
  438   1HD   ARG  47          2HD       ARG  47  -6.992 -14.675 -14.608
  439   2HD   ARG  47          3HD       ARG  47  -7.502 -13.093 -15.165
  440    HE   ARG  47           HE       ARG  47  -6.730 -14.950 -17.317
  441   1HH1  ARG  47          2HH2      ARG  47  -9.355 -13.702 -15.334
  442   2HH1  ARG  47          1HH2      ARG  47 -10.593 -14.172 -16.452
  443   1HH2  ARG  47          2HH1      ARG  47  -8.362 -15.569 -18.792
  444   2HH2  ARG  47          1HH1      ARG  47 -10.024 -15.241 -18.432
  445    H    GLY  48           HN       GLY  48  -4.830 -14.605 -11.600
  446   1HA   GLY  48          1HA       GLY  48  -4.712 -17.002 -10.838
  447   2HA   GLY  48          2HA       GLY  48  -2.976 -16.833 -11.017
  448    HA   PRO  49           HA       PRO  49  -4.518 -14.270  -7.302
  449   1HB   PRO  49          2HB       PRO  49  -6.798 -15.164  -6.090
  450   2HB   PRO  49          3HB       PRO  49  -6.776 -13.825  -7.220
  451   1HG   PRO  49          2HG       PRO  49  -7.722 -16.593  -7.645
  452   2HG   PRO  49          3HG       PRO  49  -8.071 -15.156  -8.587
  453   1HD   PRO  49          2HD       PRO  49  -6.245 -17.259  -9.276
  454   2HD   PRO  49          3HD       PRO  49  -6.509 -15.769 -10.159
  455    H    ARG  50           HN       ARG  50  -2.521 -15.474  -6.896
  456    HA   ARG  50           HA       ARG  50  -1.304 -16.653  -5.556
  457   1HB   ARG  50          2HB       ARG  50  -3.558 -15.909  -3.920
  458   2HB   ARG  50          3HB       ARG  50  -3.134 -17.556  -3.494
  459   1HG   ARG  50          2HG       ARG  50  -0.728 -15.907  -3.806
  460   2HG   ARG  50          3HG       ARG  50  -1.828 -15.188  -2.647
  461   1HD   ARG  50          2HD       ARG  50  -1.894 -17.247  -1.322
  462   2HD   ARG  50          3HD       ARG  50  -1.010 -18.129  -2.551
  463    HE   ARG  50           HE       ARG  50   1.000 -17.111  -1.841
  464   1HH1  ARG  50          2HH2      ARG  50  -1.760 -15.576  -0.288
  465   2HH1  ARG  50          1HH2      ARG  50  -0.794 -14.694   0.846
  466   1HH2  ARG  50          2HH1      ARG  50   2.275 -15.947  -0.343
  467   2HH2  ARG  50          1HH1      ARG  50   1.517 -14.907   0.815
  468    HA   PRO  51           HA       PRO  51  -2.921 -20.540  -7.181
  469   1HB   PRO  51          2HB       PRO  51  -0.678 -21.283  -8.555
  470   2HB   PRO  51          3HB       PRO  51  -1.988 -20.372  -9.279
  471   1HG   PRO  51          2HG       PRO  51   0.681 -19.425  -8.431
  472   2HG   PRO  51          3HG       PRO  51  -0.460 -18.661  -9.520
  473   1HD   PRO  51          2HD       PRO  51   0.060 -17.936  -6.794
  474   2HD   PRO  51          3HD       PRO  51  -1.161 -17.249  -7.847
  475    H    GLN  52           HN       GLN  52   0.464 -20.259  -6.186
  476    HA   GLN  52           HA       GLN  52   0.134 -21.623  -3.855
  477   1HB   GLN  52          2HB       GLN  52   1.172 -23.878  -4.508
  478   2HB   GLN  52          3HB       GLN  52  -0.506 -23.639  -4.953
  479   1HG   GLN  52          2HG       GLN  52   1.007 -22.601  -7.131
  480   2HG   GLN  52          3HG       GLN  52   1.808 -24.092  -6.679
  481   1HE2  GLN  52          1HE2      GLN  52   0.028 -23.199  -8.957
  482   2HE2  GLN  52          2HE2      GLN  52  -1.190 -24.423  -9.099
  483    H    THR  53           HN       THR  53   2.147 -20.993  -6.742
  484    HA   THR  53           HA       THR  53   4.243 -20.289  -6.969
  485    HB   THR  53           HB       THR  53   3.904 -19.606  -4.001
  486    HG1  THR  53           HG1      THR  53   2.414 -18.505  -5.382
  487   1HG2  THR  53          1HG2      THR  53   6.010 -18.906  -6.077
  488   2HG2  THR  53          2HG2      THR  53   5.560 -17.712  -4.837
  489   3HG2  THR  53          3HG2      THR  53   6.233 -19.288  -4.353
  490    H    SER  54           HN       SER  54   4.510 -21.548  -3.588
  491    HA   SER  54           HA       SER  54   6.377 -23.493  -4.704
  492   1HB   SER  54          2HB       SER  54   7.585 -23.398  -2.544
  493   2HB   SER  54          3HB       SER  54   7.526 -21.822  -3.310
  494    HG   SER  54           HG       SER  54   6.287 -21.041  -1.719
  495    H    LEU  55           HN       LEU  55   4.895 -25.225  -4.945
  496    HA   LEU  55           HA       LEU  55   3.446 -25.994  -2.517
  497   1HB   LEU  55          2HB       LEU  55   2.280 -25.525  -4.757
  498   2HB   LEU  55          3HB       LEU  55   2.966 -27.047  -5.293
  499    HG   LEU  55           HG       LEU  55   1.824 -28.151  -3.323
  500   1HD1  LEU  55          1HD1      LEU  55   0.007 -27.006  -2.215
  501   2HD1  LEU  55          2HD1      LEU  55   1.520 -26.099  -1.977
  502   3HD1  LEU  55          3HD1      LEU  55   0.316 -25.529  -3.158
  503   1HD2  LEU  55          1HD2      LEU  55   0.377 -28.772  -4.881
  504   2HD2  LEU  55          2HD2      LEU  55  -0.523 -27.250  -4.672
  505   3HD2  LEU  55          3HD2      LEU  55   0.805 -27.344  -5.853
  506    H    LEU  56           HN       LEU  56   5.734 -26.640  -1.769
  507    HA   LEU  56           HA       LEU  56   7.230 -28.598  -2.909
  508   1HB   LEU  56          2HB       LEU  56   7.886 -27.353  -0.949
  509   2HB   LEU  56          3HB       LEU  56   6.623 -28.102   0.008
  510    HG   LEU  56           HG       LEU  56   7.893 -30.335  -0.716
  511   1HD1  LEU  56          1HD1      LEU  56  10.442 -29.204  -0.314
  512   2HD1  LEU  56          2HD1      LEU  56   9.818 -30.018  -1.768
  513   3HD1  LEU  56          3HD1      LEU  56   9.671 -28.253  -1.605
  514   1HD2  LEU  56          1HD2      LEU  56   7.478 -29.775   1.566
  515   2HD2  LEU  56          2HD2      LEU  56   9.213 -30.142   1.407
  516   3HD2  LEU  56          3HD2      LEU  56   8.667 -28.451   1.523
  Start of MODEL   18
    1   1H5*    U 517          1H5*        U 517  -1.582   1.259 -30.875
    2   2H5*    U 517          2H5*        U 517  -2.413   1.197 -29.321
    3    H4*    U 517           H4*        U 517  -3.175   2.747 -31.394
    4    H3*    U 517           H3*        U 517  -4.781   1.588 -29.125
    5    H2*    U 517           H2*        U 517  -6.728   2.604 -29.988
    6   2HO*    U 517          2HO*        U 517  -5.439   4.528 -30.469
    7    H1*    U 517           H1*        U 517  -6.001   1.912 -32.685
    8    H3     U 517           H3         U 517 -10.083  -0.013 -31.956
    9    H5     U 517           H5         U 517  -7.349  -2.527 -30.021
   10    H6     U 517           H6         U 517  -5.633  -0.828 -30.452
   11   1H5*    U 518          1H5*        U 518  -4.795   5.634 -28.920
   12   2H5*    U 518          2H5*        U 518  -4.963   6.626 -27.472
   13    H4*    U 518           H4*        U 518  -7.065   6.763 -28.399
   14    H3*    U 518           H3*        U 518  -7.087   4.531 -26.375
   15    H2*    U 518           H2*        U 518  -9.402   4.231 -26.754
   16   2HO*    U 518          2HO*        U 518  -9.846   6.154 -28.620
   17    H1*    U 518           H1*        U 518  -9.078   4.484 -29.587
   18    H3     U 518           H3         U 518 -10.365   0.208 -29.762
   19    H5     U 518           H5         U 518  -7.134   0.060 -27.101
   20    H6     U 518           H6         U 518  -6.986   2.500 -27.302
   21   1H5*    U 519          1H5*        U 519  -8.946   7.346 -24.343
   22   2H5*    U 519          2H5*        U 519  -8.343   8.866 -23.682
   23    H4*    U 519           H4*        U 519  -9.690   7.737 -22.037
   24    H3*    U 519           H3*        U 519  -6.752   7.935 -21.450
   25    H2*    U 519           H2*        U 519  -7.088   6.919 -19.331
   26   2HO*    U 519          2HO*        U 519  -9.025   7.468 -18.524
   27    H1*    U 519           H1*        U 519  -8.608   4.818 -20.330
   28    H3     U 519           H3         U 519  -4.351   3.413 -19.146
   29    H5     U 519           H5         U 519  -4.196   4.371 -23.221
   30    H6     U 519           H6         U 519  -6.423   5.365 -22.970
   31   1H5*    U 520          1H5*        U 520  -8.611  10.848 -22.279
   32   2H5*    U 520          2H5*        U 520  -7.344  10.584 -23.477
   33    H4*    U 520           H4*        U 520  -6.966  13.164 -22.284
   34    H3*    U 520           H3*        U 520  -9.810  12.522 -22.882
   35    H2*    U 520           H2*        U 520 -10.127  14.548 -24.090
   36   2HO*    U 520          2HO*        U 520  -7.427  15.292 -23.844
   37    H1*    U 520           H1*        U 520  -7.904  14.162 -25.710
   38    H3     U 520           H3         U 520 -10.926  12.972 -28.789
   39    H5     U 520           H5         U 520 -11.498  10.095 -25.800
   40    H6     U 520           H6         U 520  -9.832  11.298 -24.462
   41   1H5*    G 521          1H5*        G 521 -11.784  15.463 -18.934
   42   2H5*    G 521          2H5*        G 521 -10.732  14.480 -17.917
   43    H4*    G 521           H4*        G 521 -13.442  14.440 -17.839
   44    H3*    G 521           H3*        G 521 -11.441  12.313 -17.069
   45    H2*    G 521           H2*        G 521 -13.242  10.965 -16.336
   46   2HO*    G 521          2HO*        G 521 -14.254  12.899 -15.429
   47    H1*    G 521           H1*        G 521 -14.809  11.676 -18.636
   48    H8     G 521           H8         G 521 -11.315  10.178 -18.063
   49    H1     G 521           H1         G 521 -15.517   6.386 -21.200
   50   1H2     G 521          1H2         G 521 -17.304   7.386 -21.437
   51   2H2     G 521          2H2         G 521 -17.618   9.012 -20.870
   52   1H5*    C 522          1H5*        C 522 -12.199  12.116 -13.679
   53   2H5*    C 522          2H5*        C 522 -13.121  13.481 -13.047
   54    H4*    C 522           H4*        C 522 -10.836  13.107 -11.376
   55    H3*    C 522           H3*        C 522 -12.058  10.544 -12.251
   56    H2*    C 522           H2*        C 522 -12.304   9.740 -10.034
   57   2HO*    C 522          2HO*        C 522 -11.067  12.208  -9.230
   58    H1*    C 522           H1*        C 522 -13.568  11.982  -9.069
   59   1H4     C 522          1H4         C 522 -18.535   8.725 -11.344
   60   2H4     C 522          2H4         C 522 -17.960   8.936 -12.982
   61    H5     C 522           H5         C 522 -15.935  10.016 -13.538
   62    H6     C 522           H6         C 522 -13.942  11.172 -12.647
   63   1H5*    U 523          1H5*        U 523  -7.278  11.488 -13.149
   64   2H5*    U 523          2H5*        U 523  -6.326  10.044 -13.490
   65    H4*    U 523           H4*        U 523  -5.809  11.775 -11.483
   66    H3*    U 523           H3*        U 523  -5.179   8.832 -11.711
   67    H2*    U 523           H2*        U 523  -4.074   8.948  -9.627
   68   2HO*    U 523          2HO*        U 523  -3.152  11.018 -10.278
   69    H1*    U 523           H1*        U 523  -6.136  10.636  -8.540
   70    H3     U 523           H3         U 523  -6.685   7.235  -5.672
   71    H5     U 523           H5         U 523  -7.363   5.423  -9.386
   72    H6     U 523           H6         U 523  -6.765   7.561 -10.428
   73   1H    ALA   1           HN       ALA   1 -32.795  12.254 -13.431
   74    HA   ALA   1           HA       ALA   1 -34.618  14.292 -13.215
   75   1HB   ALA   1          1HB       ALA   1 -33.330  15.705 -11.906
   76   2HB   ALA   1          2HB       ALA   1 -31.795  15.106 -12.576
   77   3HB   ALA   1          3HB       ALA   1 -32.810  16.214 -13.530
   78    H    THR   2           HN       THR   2 -31.316  13.892 -14.697
   79    HA   THR   2           HA       THR   2 -30.698  14.089 -16.853
   80    HB   THR   2           HB       THR   2 -32.960  12.032 -16.849
   81    HG1  THR   2           HG1      THR   2 -30.981  10.694 -16.766
   82   1HG2  THR   2          1HG2      THR   2 -30.719  12.211 -18.904
   83   2HG2  THR   2          2HG2      THR   2 -32.193  11.216 -18.963
   84   3HG2  THR   2          3HG2      THR   2 -32.297  12.975 -19.212
   85    H    VAL   3           HN       VAL   3 -31.289  16.370 -16.999
   86    HA   VAL   3           HA       VAL   3 -32.940  16.789 -19.263
   87    HB   VAL   3           HB       VAL   3 -34.652  16.527 -17.490
   88   1HG1  VAL   3          1HG1      VAL   3 -32.986  17.743 -15.794
   89   2HG1  VAL   3          2HG1      VAL   3 -33.920  19.170 -16.306
   90   3HG1  VAL   3          3HG1      VAL   3 -34.753  17.775 -15.577
   91   1HG2  VAL   3          1HG2      VAL   3 -35.979  18.386 -18.161
   92   2HG2  VAL   3          2HG2      VAL   3 -34.543  19.390 -18.477
   93   3HG2  VAL   3          3HG2      VAL   3 -34.912  18.008 -19.535
   94    H    VAL   4           HN       VAL   4 -31.768  18.254 -20.378
   95    HA   VAL   4           HA       VAL   4 -30.768  20.573 -18.955
   96    HB   VAL   4           HB       VAL   4 -29.005  18.590 -20.398
   97   1HG1  VAL   4          1HG1      VAL   4 -28.767  21.469 -20.251
   98   2HG1  VAL   4          2HG1      VAL   4 -27.425  20.691 -19.379
   99   3HG1  VAL   4          3HG1      VAL   4 -27.730  20.288 -21.086
  100   1HG2  VAL   4          1HG2      VAL   4 -29.072  19.657 -17.561
  101   2HG2  VAL   4          2HG2      VAL   4 -29.297  17.978 -18.108
  102   3HG2  VAL   4          3HG2      VAL   4 -27.698  18.750 -18.241
  103    H    SER   5           HN       SER   5 -31.696  22.185 -20.106
  104    HA   SER   5           HA       SER   5 -31.168  22.249 -22.915
  105   1HB   SER   5          2HB       SER   5 -33.277  20.989 -22.888
  106   2HB   SER   5          3HB       SER   5 -34.023  22.185 -21.848
  107    HG   SER   5           HG       SER   5 -33.061  22.655 -24.541
  108    H    GLY   6           HN       GLY   6 -29.861  24.066 -22.065
  109   1HA   GLY   6          1HA       GLY   6 -30.815  26.551 -22.473
  110   2HA   GLY   6          2HA       GLY   6 -31.242  26.270 -20.797
  111    H    GLN   7           HN       GLN   7 -28.458  26.087 -23.108
  112    HA   GLN   7           HA       GLN   7 -26.718  26.545 -20.818
  113   1HB   GLN   7          2HB       GLN   7 -26.311  24.512 -22.274
  114   2HB   GLN   7          3HB       GLN   7 -25.956  25.587 -23.612
  115   1HG   GLN   7          2HG       GLN   7 -23.808  25.643 -22.882
  116   2HG   GLN   7          3HG       GLN   7 -24.367  26.597 -21.523
  117   1HE2  GLN   7          1HE2      GLN   7 -23.617  25.884 -19.692
  118   2HE2  GLN   7          2HE2      GLN   7 -23.418  24.235 -19.200
  119    H    LYS   8           HN       LYS   8 -25.622  28.475 -20.624
  120    HA   LYS   8           HA       LYS   8 -26.194  30.483 -22.616
  121   1HB   LYS   8          2HB       LYS   8 -25.233  30.424 -19.799
  122   2HB   LYS   8          3HB       LYS   8 -24.682  31.763 -20.786
  123   1HG   LYS   8          2HG       LYS   8 -26.687  32.765 -20.444
  124   2HG   LYS   8          3HG       LYS   8 -27.431  31.509 -21.414
  125   1HD   LYS   8          2HD       LYS   8 -27.755  30.097 -19.405
  126   2HD   LYS   8          3HD       LYS   8 -26.913  31.272 -18.412
  127   1HE   LYS   8          2HE       LYS   8 -29.011  32.095 -18.000
  128   2HE   LYS   8          3HE       LYS   8 -28.818  32.891 -19.550
  129   1HZ   LYS   8          1HZ       LYS   8 -29.827  30.910 -20.561
  130   2HZ   LYS   8          2HZ       LYS   8 -30.119  30.302 -19.073
  131   3HZ   LYS   8          3HZ       LYS   8 -30.839  31.690 -19.545
  132    H    GLN   9           HN       GLN   9 -24.942  30.743 -24.378
  133    HA   GLN   9           HA       GLN   9 -22.086  30.382 -23.988
  134   1HB   GLN   9          2HB       GLN   9 -23.667  28.539 -25.379
  135   2HB   GLN   9          3HB       GLN   9 -23.005  29.536 -26.658
  136   1HG   GLN   9          2HG       GLN   9 -20.862  28.780 -26.325
  137   2HG   GLN   9          3HG       GLN   9 -21.015  28.801 -24.580
  138   1HE2  GLN   9          1HE2      GLN   9 -21.118  26.950 -23.562
  139   2HE2  GLN   9          2HE2      GLN   9 -21.526  25.406 -24.235
  140    H    ASP  10           HN       ASP  10 -22.121  32.760 -23.852
  141    HA   ASP  10           HA       ASP  10 -22.868  34.051 -26.332
  142   1HB   ASP  10          2HB       ASP  10 -22.306  34.982 -23.506
  143   2HB   ASP  10          3HB       ASP  10 -22.170  36.135 -24.819
  144    H    ARG  11           HN       ARG  11 -20.192  34.068 -23.847
  145    HA   ARG  11           HA       ARG  11 -18.391  34.817 -26.001
  146   1HB   ARG  11          2HB       ARG  11 -18.545  35.476 -23.088
  147   2HB   ARG  11          3HB       ARG  11 -16.925  35.180 -23.687
  148   1HG   ARG  11          2HG       ARG  11 -17.151  37.475 -24.102
  149   2HG   ARG  11          3HG       ARG  11 -17.613  36.804 -25.653
  150   1HD   ARG  11          2HD       ARG  11 -19.269  38.486 -25.042
  151   2HD   ARG  11          3HD       ARG  11 -20.038  36.915 -24.941
  152    HE   ARG  11           HE       ARG  11 -18.970  37.436 -22.375
  153   1HH1  ARG  11          2HH2      ARG  11 -21.377  38.844 -24.522
  154   2HH1  ARG  11          1HH2      ARG  11 -22.340  39.484 -23.233
  155   1HH2  ARG  11          2HH1      ARG  11 -20.241  38.280 -20.673
  156   2HH2  ARG  11          1HH1      ARG  11 -21.689  39.161 -21.028
  157    H    GLN  12           HN       GLN  12 -16.509  33.551 -26.398
  158    HA   GLN  12           HA       GLN  12 -15.323  31.734 -26.504
  159   1HB   GLN  12          2HB       GLN  12 -15.538  32.294 -23.601
  160   2HB   GLN  12          3HB       GLN  12 -15.089  30.640 -23.963
  161   1HG   GLN  12          2HG       GLN  12 -13.526  32.163 -25.747
  162   2HG   GLN  12          3HG       GLN  12 -13.515  33.110 -24.273
  163   1HE2  GLN  12          1HE2      GLN  12 -11.328  32.676 -23.980
  164   2HE2  GLN  12          2HE2      GLN  12 -10.742  31.159 -23.383
  165    H    GLY  13           HN       GLY  13 -16.726  30.432 -27.760
  166   1HA   GLY  13          1HA       GLY  13 -18.770  28.852 -26.443
  167   2HA   GLY  13          2HA       GLY  13 -18.396  28.916 -28.155
  168    H    GLY  14           HN       GLY  14 -15.893  28.134 -28.564
  169   1HA   GLY  14          1HA       GLY  14 -14.246  26.562 -27.737
  170   2HA   GLY  14          2HA       GLY  14 -15.550  25.626 -27.035
  171    H    GLU  15           HN       GLU  15 -14.115  24.041 -28.512
  172    HA   GLU  15           HA       GLU  15 -15.719  23.702 -30.884
  173   1HB   GLU  15          2HB       GLU  15 -12.694  23.996 -30.898
  174   2HB   GLU  15          3HB       GLU  15 -13.537  23.139 -32.174
  175   1HG   GLU  15          2HG       GLU  15 -14.979  25.209 -32.522
  176   2HG   GLU  15          3HG       GLU  15 -13.976  26.049 -31.355
  177    H    ARG  16           HN       ARG  16 -15.618  21.460 -31.733
  178    HA   ARG  16           HA       ARG  16 -15.790  19.604 -29.796
  179   1HB   ARG  16          2HB       ARG  16 -15.608  17.910 -31.629
  180   2HB   ARG  16          3HB       ARG  16 -16.622  19.259 -32.098
  181   1HG   ARG  16          2HG       ARG  16 -14.456  20.295 -33.128
  182   2HG   ARG  16          3HG       ARG  16 -13.753  18.700 -32.943
  183   1HD   ARG  16          2HD       ARG  16 -14.623  18.608 -35.134
  184   2HD   ARG  16          3HD       ARG  16 -15.894  17.839 -34.203
  185    HE   ARG  16           HE       ARG  16 -17.288  19.720 -34.545
  186   1HH1  ARG  16          2HH2      ARG  16 -14.027  20.379 -35.688
  187   2HH1  ARG  16          1HH2      ARG  16 -14.475  21.829 -36.524
  188   1HH2  ARG  16          2HH1      ARG  16 -17.881  21.632 -35.647
  189   2HH2  ARG  16          1HH1      ARG  16 -16.682  22.546 -36.500
  190    H    ARG  17           HN       ARG  17 -14.357  18.321 -28.621
  191    HA   ARG  17           HA       ARG  17 -11.580  18.469 -29.487
  192   1HB   ARG  17          2HB       ARG  17 -12.859  18.853 -26.803
  193   2HB   ARG  17          3HB       ARG  17 -11.373  17.923 -26.798
  194   1HG   ARG  17          2HG       ARG  17 -11.230  20.358 -28.488
  195   2HG   ARG  17          3HG       ARG  17 -11.536  20.705 -26.798
  196   1HD   ARG  17          2HD       ARG  17  -9.557  19.293 -26.159
  197   2HD   ARG  17          3HD       ARG  17  -9.245  18.974 -27.854
  198    HE   ARG  17           HE       ARG  17  -9.417  21.831 -27.289
  199   1HH1  ARG  17          2HH2      ARG  17  -7.277  19.039 -27.216
  200   2HH1  ARG  17          1HH2      ARG  17  -5.830  19.985 -27.323
  201   1HH2  ARG  17          2HH1      ARG  17  -7.509  23.080 -27.431
  202   2HH2  ARG  17          1HH1      ARG  17  -5.962  22.299 -27.447
  203    H    ARG  18           HN       ARG  18 -13.950  16.574 -27.473
  204    HA   ARG  18           HA       ARG  18 -12.592  14.190 -28.448
  205   1HB   ARG  18          2HB       ARG  18 -13.249  13.092 -26.275
  206   2HB   ARG  18          3HB       ARG  18 -12.141  14.431 -26.049
  207   1HG   ARG  18          2HG       ARG  18 -14.740  15.589 -25.987
  208   2HG   ARG  18          3HG       ARG  18 -14.872  14.112 -25.053
  209   1HD   ARG  18          2HD       ARG  18 -13.592  14.941 -23.348
  210   2HD   ARG  18          3HD       ARG  18 -12.386  15.585 -24.444
  211    HE   ARG  18           HE       ARG  18 -13.530  17.656 -24.493
  212   1HH1  ARG  18          2HH2      ARG  18 -15.444  15.229 -22.811
  213   2HH1  ARG  18          1HH2      ARG  18 -16.572  16.378 -22.171
  214   1HH2  ARG  18          2HH1      ARG  18 -15.017  19.172 -23.649
  215   2HH2  ARG  18          1HH1      ARG  18 -16.328  18.635 -22.652
  216    H    SER  19           HN       SER  19 -14.456  14.928 -30.143
  217    HA   SER  19           HA       SER  19 -16.516  14.752 -30.911
  218   1HB   SER  19          2HB       SER  19 -15.264  12.326 -30.788
  219   2HB   SER  19          3HB       SER  19 -16.728  11.942 -29.904
  220    HG   SER  19           HG       SER  19 -17.954  12.821 -31.752
  221    H    GLN  20           HN       GLN  20 -18.521  12.657 -29.903
  222    HA   GLN  20           HA       GLN  20 -19.605  14.361 -27.842
  223   1HB   GLN  20          2HB       GLN  20 -20.776  12.176 -29.600
  224   2HB   GLN  20          3HB       GLN  20 -21.666  12.824 -28.237
  225   1HG   GLN  20          2HG       GLN  20 -20.976  15.175 -29.362
  226   2HG   GLN  20          3HG       GLN  20 -20.863  14.187 -30.804
  227   1HE2  GLN  20          1HE2      GLN  20 -22.600  14.546 -31.961
  228   2HE2  GLN  20          2HE2      GLN  20 -24.244  14.501 -31.419
  229    H    LEU  21           HN       LEU  21 -17.379  12.961 -26.924
  230    HA   LEU  21           HA       LEU  21 -17.565  10.472 -25.970
  231   1HB   LEU  21          2HB       LEU  21 -15.855  12.466 -25.628
  232   2HB   LEU  21          3HB       LEU  21 -16.654  12.586 -24.073
  233    HG   LEU  21           HG       LEU  21 -15.119  10.232 -25.190
  234   1HD1  LEU  21          1HD1      LEU  21 -13.471  11.404 -24.210
  235   2HD1  LEU  21          2HD1      LEU  21 -14.594  12.365 -23.219
  236   3HD1  LEU  21          3HD1      LEU  21 -14.133  10.724 -22.705
  237   1HD2  LEU  21          1HD2      LEU  21 -15.752   9.479 -22.645
  238   2HD2  LEU  21          2HD2      LEU  21 -17.259  10.271 -23.167
  239   3HD2  LEU  21          3HD2      LEU  21 -16.588   8.922 -24.115
  240    H    ASP  22           HN       ASP  22 -19.237   9.389 -25.082
  241    HA   ASP  22           HA       ASP  22 -21.285  10.775 -23.749
  242   1HB   ASP  22          2HB       ASP  22 -20.936   8.249 -24.926
  243   2HB   ASP  22          3HB       ASP  22 -21.109   7.870 -23.223
  244    H    ARG  23           HN       ARG  23 -21.645  10.961 -21.478
  245    HA   ARG  23           HA       ARG  23 -19.436  10.791 -19.839
  246   1HB   ARG  23          2HB       ARG  23 -22.345  11.371 -19.535
  247   2HB   ARG  23          3HB       ARG  23 -21.584  10.778 -18.073
  248   1HG   ARG  23          2HG       ARG  23 -20.731  13.200 -19.723
  249   2HG   ARG  23          3HG       ARG  23 -21.415  13.218 -18.110
  250   1HD   ARG  23          2HD       ARG  23 -19.140  11.484 -17.988
  251   2HD   ARG  23          3HD       ARG  23 -18.633  12.890 -18.903
  252    HE   ARG  23           HE       ARG  23 -20.132  13.709 -16.571
  253   1HH1  ARG  23          2HH2      ARG  23 -16.984  12.477 -17.550
  254   2HH1  ARG  23          1HH2      ARG  23 -16.149  13.176 -16.203
  255   1HH2  ARG  23          2HH1      ARG  23 -19.031  14.633 -14.795
  256   2HH2  ARG  23          1HH1      ARG  23 -17.322  14.412 -14.625
  257    H    ASP  24           HN       ASP  24 -21.485   8.322 -21.032
  258    HA   ASP  24           HA       ASP  24 -20.644   6.589 -18.844
  259   1HB   ASP  24          2HB       ASP  24 -23.254   6.683 -20.399
  260   2HB   ASP  24          3HB       ASP  24 -22.742   5.201 -19.617
  261    H    GLN  25           HN       GLN  25 -19.188   7.226 -21.312
  262    HA   GLN  25           HA       GLN  25 -19.564   4.747 -22.799
  263   1HB   GLN  25          2HB       GLN  25 -19.190   7.501 -23.648
  264   2HB   GLN  25          3HB       GLN  25 -17.876   6.518 -24.265
  265   1HG   GLN  25          2HG       GLN  25 -19.842   4.824 -24.897
  266   2HG   GLN  25          3HG       GLN  25 -20.843   6.258 -24.786
  267   1HE2  GLN  25          1HE2      GLN  25 -19.785   4.468 -27.013
  268   2HE2  GLN  25          2HE2      GLN  25 -19.173   5.555 -28.215
  269    H    CYS  26           HN       CYS  26 -17.198   4.353 -24.054
  270    HA   CYS  26           HA       CYS  26 -15.263   4.335 -21.852
  271   1HB   CYS  26          2HB       CYS  26 -16.042   2.079 -22.248
  272   2HB   CYS  26          3HB       CYS  26 -15.767   2.225 -23.973
  273    H    ALA  27           HN       ALA  27 -13.226   5.189 -22.333
  274    HA   ALA  27           HA       ALA  27 -12.913   6.198 -25.068
  275   1HB   ALA  27          1HB       ALA  27 -10.990   7.436 -23.548
  276   2HB   ALA  27          2HB       ALA  27 -12.619   8.090 -23.847
  277   3HB   ALA  27          3HB       ALA  27 -12.282   7.189 -22.349
  278    H    TYR  28           HN       TYR  28 -12.497   3.403 -24.537
  279    HA   TYR  28           HA       TYR  28  -9.600   3.299 -24.995
  280   1HB   TYR  28          2HB       TYR  28 -10.794   2.515 -22.660
  281   2HB   TYR  28          3HB       TYR  28 -11.167   1.088 -23.606
  282    HD1  TYR  28           HD1      TYR  28  -8.163   3.287 -23.058
  283    HD2  TYR  28           HD2      TYR  28  -9.721  -0.690 -23.297
  284    HE1  TYR  28           HE1      TYR  28  -5.855   2.345 -22.557
  285    HE2  TYR  28           HE2      TYR  28  -7.409  -1.619 -22.794
  286    HH   TYR  28           HH       TYR  28  -5.065  -0.857 -23.073
  287    H    CYS  29           HN       CYS  29 -12.730   1.457 -25.151
  288    HA   CYS  29           HA       CYS  29 -11.712   0.266 -27.624
  289   1HB   CYS  29          2HB       CYS  29 -13.249  -1.585 -27.243
  290   2HB   CYS  29          3HB       CYS  29 -12.193  -1.377 -25.860
  291    H    LYS  30           HN       LYS  30 -13.930   2.490 -26.156
  292    HA   LYS  30           HA       LYS  30 -15.285   3.947 -27.193
  293   1HB   LYS  30          2HB       LYS  30 -14.048   2.876 -29.402
  294   2HB   LYS  30          3HB       LYS  30 -15.727   2.478 -29.710
  295   1HG   LYS  30          2HG       LYS  30 -15.854   4.613 -30.528
  296   2HG   LYS  30          3HG       LYS  30 -16.002   5.071 -28.843
  297   1HD   LYS  30          2HD       LYS  30 -13.252   4.876 -29.104
  298   2HD   LYS  30          3HD       LYS  30 -13.707   5.426 -30.705
  299   1HE   LYS  30          2HE       LYS  30 -15.077   6.847 -28.467
  300   2HE   LYS  30          3HE       LYS  30 -13.343   7.087 -28.530
  301   1HZ   LYS  30          1HZ       LYS  30 -14.909   8.557 -29.922
  302   2HZ   LYS  30          2HZ       LYS  30 -13.488   8.070 -30.562
  303   3HZ   LYS  30          3HZ       LYS  30 -14.874   7.322 -30.991
  304    H    GLU  31           HN       GLU  31 -15.816   1.361 -25.674
  305    HA   GLU  31           HA       GLU  31 -18.320   0.495 -26.714
  306   1HB   GLU  31          2HB       GLU  31 -16.960  -1.138 -25.571
  307   2HB   GLU  31          3HB       GLU  31 -16.779  -0.112 -24.163
  308   1HG   GLU  31          2HG       GLU  31 -18.442  -1.825 -23.657
  309   2HG   GLU  31          3HG       GLU  31 -19.255  -0.275 -23.748
  310    H    LYS  32           HN       LYS  32 -20.392   0.644 -25.497
  311    HA   LYS  32           HA       LYS  32 -20.482   3.123 -23.921
  312   1HB   LYS  32          2HB       LYS  32 -22.661   3.558 -24.836
  313   2HB   LYS  32          3HB       LYS  32 -21.537   3.303 -26.155
  314   1HG   LYS  32          2HG       LYS  32 -23.083   1.814 -26.936
  315   2HG   LYS  32          3HG       LYS  32 -22.427   0.723 -25.732
  316   1HD   LYS  32          2HD       LYS  32 -24.167   2.041 -24.135
  317   2HD   LYS  32          3HD       LYS  32 -24.980   2.319 -25.662
  318   1HE   LYS  32          2HE       LYS  32 -25.705   0.162 -25.779
  319   2HE   LYS  32          3HE       LYS  32 -24.104  -0.472 -25.450
  320   1HZ   LYS  32          1HZ       LYS  32 -25.303   0.725 -23.169
  321   2HZ   LYS  32          2HZ       LYS  32 -26.180  -0.523 -23.749
  322   3HZ   LYS  32          3HZ       LYS  32 -24.619  -0.749 -23.329
  323    H    GLY  33           HN       GLY  33 -20.810   2.746 -21.802
  324   1HA   GLY  33          1HA       GLY  33 -22.760   1.782 -20.439
  325   2HA   GLY  33          2HA       GLY  33 -22.174   0.246 -21.046
  326    H    HIS  34           HN       HIS  34 -19.401   0.502 -20.994
  327    HA   HIS  34           HA       HIS  34 -18.960   0.818 -18.121
  328   1HB   HIS  34          2HB       HIS  34 -17.221  -0.797 -18.305
  329   2HB   HIS  34          3HB       HIS  34 -18.632  -1.440 -19.119
  330    HD1  HIS  34           HD1      HIS  34 -18.155  -2.466 -21.340
  331    HD2  HIS  34           HD2      HIS  34 -15.367   0.508 -20.352
  332    HE1  HIS  34           HE1      HIS  34 -16.441  -2.435 -23.230
  333    H    TRP  35           HN       TRP  35 -16.752   1.639 -17.472
  334    HA   TRP  35           HA       TRP  35 -16.088   3.888 -19.206
  335   1HB   TRP  35          2HB       TRP  35 -15.935   3.314 -16.304
  336   2HB   TRP  35          3HB       TRP  35 -14.631   4.278 -16.967
  337    HD1  TRP  35           HD1      TRP  35 -18.460   4.474 -17.767
  338    HE1  TRP  35           HE1      TRP  35 -19.342   6.940 -17.437
  339    HE3  TRP  35           HE3      TRP  35 -14.045   6.395 -16.134
  340    HZ2  TRP  35           HZ2      TRP  35 -18.121   9.362 -16.550
  341    HZ3  TRP  35           HZ3      TRP  35 -13.975   8.819 -15.557
  342    HH2  TRP  35           HH2      TRP  35 -15.919  10.289 -15.742
  343    H    ALA  36           HN       ALA  36 -13.675   4.400 -19.408
  344    HA   ALA  36           HA       ALA  36 -12.352   2.255 -20.567
  345   1HB   ALA  36          1HB       ALA  36 -10.353   3.862 -20.375
  346   2HB   ALA  36          2HB       ALA  36 -11.791   4.468 -21.232
  347   3HB   ALA  36          3HB       ALA  36 -11.473   4.977 -19.556
  348    H    LYS  37           HN       LYS  37 -12.261   3.613 -17.242
  349    HA   LYS  37           HA       LYS  37 -10.058   2.043 -16.417
  350   1HB   LYS  37          2HB       LYS  37 -12.101   3.789 -15.102
  351   2HB   LYS  37          3HB       LYS  37 -11.204   2.669 -14.096
  352   1HG   LYS  37          2HG       LYS  37  -9.839   4.597 -14.071
  353   2HG   LYS  37          3HG       LYS  37  -9.070   3.596 -15.286
  354   1HD   LYS  37          2HD       LYS  37 -10.700   4.876 -16.960
  355   2HD   LYS  37          3HD       LYS  37 -10.786   6.061 -15.672
  356   1HE   LYS  37          2HE       LYS  37  -8.009   5.298 -16.057
  357   2HE   LYS  37          3HE       LYS  37  -8.700   5.719 -17.611
  358   1HZ   LYS  37          1HZ       LYS  37  -9.462   7.783 -16.649
  359   2HZ   LYS  37          2HZ       LYS  37  -8.831   7.390 -15.195
  360   3HZ   LYS  37          3HZ       LYS  37  -7.845   7.640 -16.474
  361    H    ASP  38           HN       ASP  38 -13.340   1.312 -17.168
  362    HA   ASP  38           HA       ASP  38 -13.115  -1.121 -15.578
  363   1HB   ASP  38          2HB       ASP  38 -15.104   0.641 -15.325
  364   2HB   ASP  38          3HB       ASP  38 -15.717  -0.136 -16.772
  365    H    CYS  39           HN       CYS  39 -12.254  -0.146 -18.478
  366    HA   CYS  39           HA       CYS  39 -13.859  -1.501 -20.313
  367   1HB   CYS  39          2HB       CYS  39 -12.221   0.298 -20.877
  368   2HB   CYS  39          3HB       CYS  39 -10.910  -0.821 -20.558
  369    HA   PRO  40           HA       PRO  40 -12.526  -5.542 -19.212
  370   1HB   PRO  40          2HB       PRO  40 -14.124  -6.936 -20.937
  371   2HB   PRO  40          3HB       PRO  40 -14.663  -6.386 -19.362
  372   1HG   PRO  40          2HG       PRO  40 -15.315  -5.292 -22.030
  373   2HG   PRO  40          3HG       PRO  40 -16.150  -5.047 -20.508
  374   1HD   PRO  40          2HD       PRO  40 -14.397  -3.195 -21.821
  375   2HD   PRO  40          3HD       PRO  40 -15.139  -2.999 -20.246
  376    H    LYS  41           HN       LYS  41 -11.756  -3.809 -21.845
  377    HA   LYS  41           HA       LYS  41 -10.472  -6.044 -23.199
  378   1HB   LYS  41          2HB       LYS  41 -11.763  -4.401 -24.516
  379   2HB   LYS  41          3HB       LYS  41 -10.700  -3.119 -23.971
  380   1HG   LYS  41          2HG       LYS  41  -8.958  -5.144 -24.930
  381   2HG   LYS  41          3HG       LYS  41 -10.272  -5.100 -26.088
  382   1HD   LYS  41          2HD       LYS  41  -9.345  -3.249 -27.010
  383   2HD   LYS  41          3HD       LYS  41  -9.697  -2.375 -25.532
  384   1HE   LYS  41          2HE       LYS  41  -7.406  -2.087 -25.519
  385   2HE   LYS  41          3HE       LYS  41  -7.448  -3.637 -24.703
  386   1HZ   LYS  41          1HZ       LYS  41  -7.329  -3.525 -27.617
  387   2HZ   LYS  41          2HZ       LYS  41  -5.968  -3.360 -26.731
  388   3HZ   LYS  41          3HZ       LYS  41  -6.853  -4.727 -26.619
  389    H    LYS  42           HN       LYS  42  -9.857  -3.560 -20.843
  390    HA   LYS  42           HA       LYS  42  -7.237  -2.922 -21.289
  391   1HB   LYS  42          2HB       LYS  42  -9.079  -2.973 -18.993
  392   2HB   LYS  42          3HB       LYS  42  -7.390  -3.100 -18.546
  393   1HG   LYS  42          2HG       LYS  42  -7.112  -1.115 -20.334
  394   2HG   LYS  42          3HG       LYS  42  -8.809  -0.855 -19.980
  395   1HD   LYS  42          2HD       LYS  42  -8.364  -0.527 -17.616
  396   2HD   LYS  42          3HD       LYS  42  -6.716  -1.100 -17.779
  397   1HE   LYS  42          2HE       LYS  42  -5.954   0.936 -18.488
  398   2HE   LYS  42          3HE       LYS  42  -7.289   1.148 -19.603
  399   1HZ   LYS  42          1HZ       LYS  42  -7.332   2.753 -17.821
  400   2HZ   LYS  42          2HZ       LYS  42  -8.664   1.810 -17.762
  401   3HZ   LYS  42          3HZ       LYS  42  -7.447   1.572 -16.699
  402    HA   PRO  43           HA       PRO  43  -5.541  -6.966 -20.952
  403   1HB   PRO  43          2HB       PRO  43  -3.184  -6.418 -22.222
  404   2HB   PRO  43          3HB       PRO  43  -4.634  -6.920 -23.068
  405   1HG   PRO  43          2HG       PRO  43  -3.424  -4.228 -22.901
  406   2HG   PRO  43          3HG       PRO  43  -4.596  -4.836 -24.054
  407   1HD   PRO  43          2HD       PRO  43  -5.118  -3.110 -21.823
  408   2HD   PRO  43          3HD       PRO  43  -6.304  -3.810 -22.907
  409    H    ARG  44           HN       ARG  44  -3.878  -8.063 -19.772
  410    HA   ARG  44           HA       ARG  44  -2.629  -6.168 -17.946
  411   1HB   ARG  44          2HB       ARG  44  -4.269  -8.571 -17.441
  412   2HB   ARG  44          3HB       ARG  44  -2.728  -8.652 -16.611
  413   1HG   ARG  44          2HG       ARG  44  -3.818  -5.969 -16.336
  414   2HG   ARG  44          3HG       ARG  44  -5.040  -7.135 -15.868
  415   1HD   ARG  44          2HD       ARG  44  -3.889  -7.775 -13.987
  416   2HD   ARG  44          3HD       ARG  44  -2.346  -7.794 -14.816
  417    HE   ARG  44           HE       ARG  44  -2.845  -5.106 -14.664
  418   1HH1  ARG  44          2HH2      ARG  44  -2.982  -7.661 -12.248
  419   2HH1  ARG  44          1HH2      ARG  44  -2.584  -6.609 -10.929
  420   1HH2  ARG  44          2HH1      ARG  44  -2.320  -3.720 -12.926
  421   2HH2  ARG  44          1HH1      ARG  44  -2.205  -4.353 -11.317
  422    H    GLY  45           HN       GLY  45  -0.579  -7.164 -16.856
  423   1HA   GLY  45          1HA       GLY  45   1.028  -9.028 -17.117
  424   2HA   GLY  45          2HA       GLY  45   0.849  -8.823 -18.848
  425    HA   PRO  46           HA       PRO  46   2.802  -9.541 -18.715
  426   1HB   PRO  46          2HB       PRO  46   5.426 -10.009 -18.112
  427   2HB   PRO  46          3HB       PRO  46   4.890  -9.436 -19.679
  428   1HG   PRO  46          2HG       PRO  46   6.230  -7.933 -17.514
  429   2HG   PRO  46          3HG       PRO  46   6.073  -7.512 -19.208
  430   1HD   PRO  46          2HD       PRO  46   4.578  -6.413 -17.021
  431   2HD   PRO  46          3HD       PRO  46   4.343  -6.078 -18.725
  432    H    ARG  47           HN       ARG  47   3.463 -11.662 -17.621
  433    HA   ARG  47           HA       ARG  47   3.284 -12.961 -15.906
  434   1HB   ARG  47          2HB       ARG  47   4.395 -10.491 -14.565
  435   2HB   ARG  47          3HB       ARG  47   3.817 -11.785 -13.534
  436   1HG   ARG  47          2HG       ARG  47   5.607 -12.559 -15.826
  437   2HG   ARG  47          3HG       ARG  47   6.351 -11.709 -14.487
  438   1HD   ARG  47          2HD       ARG  47   4.998 -13.489 -13.012
  439   2HD   ARG  47          3HD       ARG  47   5.003 -14.417 -14.498
  440    HE   ARG  47           HE       ARG  47   7.262 -13.983 -12.755
  441   1HH1  ARG  47          2HH2      ARG  47   6.423 -14.307 -16.158
  442   2HH1  ARG  47          1HH2      ARG  47   7.985 -14.895 -16.619
  443   1HH2  ARG  47          2HH1      ARG  47   9.324 -14.758 -13.363
  444   2HH2  ARG  47          1HH1      ARG  47   9.646 -15.154 -15.018
  445    H    GLY  48           HN       GLY  48   1.926 -13.420 -13.848
  446   1HA   GLY  48          1HA       GLY  48   0.146 -12.006 -12.544
  447   2HA   GLY  48          2HA       GLY  48  -0.626 -12.011 -14.116
  448    HA   PRO  49           HA       PRO  49  -0.496 -16.490 -12.523
  449   1HB   PRO  49          2HB       PRO  49   0.206 -16.942  -9.921
  450   2HB   PRO  49          3HB       PRO  49   1.327 -17.105 -11.258
  451   1HG   PRO  49          2HG       PRO  49   1.137 -14.943  -9.250
  452   2HG   PRO  49          3HG       PRO  49   2.476 -15.345 -10.307
  453   1HD   PRO  49          2HD       PRO  49   0.625 -13.177 -10.630
  454   2HD   PRO  49          3HD       PRO  49   1.891 -13.651 -11.746
  455    H    ARG  50           HN       ARG  50  -2.633 -15.182 -12.847
  456    HA   ARG  50           HA       ARG  50  -4.202 -14.422 -10.887
  457   1HB   ARG  50          2HB       ARG  50  -4.591 -15.548 -13.537
  458   2HB   ARG  50          3HB       ARG  50  -5.863 -16.143 -12.490
  459   1HG   ARG  50          2HG       ARG  50  -6.873 -14.151 -13.031
  460   2HG   ARG  50          3HG       ARG  50  -5.880 -13.528 -11.728
  461   1HD   ARG  50          2HD       ARG  50  -5.360 -12.032 -13.465
  462   2HD   ARG  50          3HD       ARG  50  -4.049 -13.187 -13.602
  463    HE   ARG  50           HE       ARG  50  -6.430 -13.840 -15.212
  464   1HH1  ARG  50          2HH2      ARG  50  -3.291 -12.252 -15.135
  465   2HH1  ARG  50          1HH2      ARG  50  -3.092 -12.279 -16.855
  466   1HH2  ARG  50          2HH1      ARG  50  -6.169 -13.877 -17.482
  467   2HH2  ARG  50          1HH1      ARG  50  -4.740 -13.209 -18.199
  468    HA   PRO  51           HA       PRO  51  -4.298 -18.176  -8.477
  469   1HB   PRO  51          2HB       PRO  51  -4.812 -16.992  -6.068
  470   2HB   PRO  51          3HB       PRO  51  -3.191 -17.265  -6.676
  471   1HG   PRO  51          2HG       PRO  51  -4.717 -14.737  -6.536
  472   2HG   PRO  51          3HG       PRO  51  -2.991 -14.968  -6.730
  473   1HD   PRO  51          2HD       PRO  51  -4.869 -14.252  -8.777
  474   2HD   PRO  51          3HD       PRO  51  -3.164 -14.596  -8.992
  475    H    GLN  52           HN       GLN  52  -5.935 -19.560  -8.631
  476    HA   GLN  52           HA       GLN  52  -8.329 -18.966  -7.362
  477   1HB   GLN  52          2HB       GLN  52  -9.854 -18.693  -9.268
  478   2HB   GLN  52          3HB       GLN  52  -8.665 -17.405  -9.264
  479   1HG   GLN  52          2HG       GLN  52  -8.283 -17.973 -11.438
  480   2HG   GLN  52          3HG       GLN  52  -7.381 -19.330 -10.793
  481   1HE2  GLN  52          1HE2      GLN  52  -8.660 -19.316 -13.272
  482   2HE2  GLN  52          2HE2      GLN  52  -9.937 -20.486 -13.282
  483    H    THR  53           HN       THR  53  -9.129 -20.946  -6.788
  484    HA   THR  53           HA       THR  53  -9.489 -23.139  -6.768
  485    HB   THR  53           HB       THR  53  -9.335 -22.638  -9.777
  486    HG1  THR  53           HG1      THR  53 -11.451 -23.369  -7.883
  487   1HG2  THR  53          1HG2      THR  53  -9.356 -25.198  -8.365
  488   2HG2  THR  53          2HG2      THR  53 -10.915 -24.938  -9.183
  489   3HG2  THR  53          3HG2      THR  53  -9.401 -24.898 -10.119
  490    H    SER  54           HN       SER  54  -8.393 -25.100  -6.522
  491    HA   SER  54           HA       SER  54  -6.677 -26.416  -6.334
  492   1HB   SER  54          2HB       SER  54  -6.324 -25.270  -8.973
  493   2HB   SER  54          3HB       SER  54  -4.747 -25.508  -8.247
  494    HG   SER  54           HG       SER  54  -5.540 -27.398  -9.424
  495    H    LEU  55           HN       LEU  55  -6.259 -25.351  -4.247
  496    HA   LEU  55           HA       LEU  55  -3.607 -24.533  -3.964
  497   1HB   LEU  55          2HB       LEU  55  -3.793 -22.224  -3.425
  498   2HB   LEU  55          3HB       LEU  55  -4.407 -22.482  -5.047
  499    HG   LEU  55           HG       LEU  55  -6.653 -22.666  -3.343
  500   1HD1  LEU  55          1HD1      LEU  55  -4.743 -21.274  -1.928
  501   2HD1  LEU  55          2HD1      LEU  55  -5.666 -19.980  -2.728
  502   3HD1  LEU  55          3HD1      LEU  55  -6.504 -21.164  -1.698
  503   1HD2  LEU  55          1HD2      LEU  55  -7.281 -21.710  -5.264
  504   2HD2  LEU  55          2HD2      LEU  55  -6.815 -20.177  -4.491
  505   3HD2  LEU  55          3HD2      LEU  55  -5.669 -21.018  -5.562
  506    H    LEU  56           HN       LEU  56  -4.552 -26.544  -2.708
  507    HA   LEU  56           HA       LEU  56  -4.578 -25.810  -0.004
  508   1HB   LEU  56          2HB       LEU  56  -6.949 -25.198  -0.840
  509   2HB   LEU  56          3HB       LEU  56  -7.231 -26.927  -0.863
  510    HG   LEU  56           HG       LEU  56  -6.065 -26.132   1.669
  511   1HD1  LEU  56          1HD1      LEU  56  -7.392 -24.476   2.453
  512   2HD1  LEU  56          2HD1      LEU  56  -7.446 -24.029   0.731
  513   3HD1  LEU  56          3HD1      LEU  56  -8.783 -24.956   1.451
  514   1HD2  LEU  56          1HD2      LEU  56  -7.376 -27.782   2.393
  515   2HD2  LEU  56          2HD2      LEU  56  -8.838 -27.031   1.709
  516   3HD2  LEU  56          3HD2      LEU  56  -7.802 -28.056   0.686
  Start of MODEL   19
    1   1H5*    U 517          1H5*        U 517   0.279   0.041 -28.149
    2   2H5*    U 517          2H5*        U 517  -0.690   1.475 -28.490
    3    H4*    U 517           H4*        U 517  -1.293  -0.333 -29.980
    4    H3*    U 517           H3*        U 517  -3.375   0.531 -27.989
    5    H2*    U 517           H2*        U 517  -4.900  -1.012 -28.859
    6   2HO*    U 517          2HO*        U 517  -2.980  -1.222 -30.999
    7    H1*    U 517           H1*        U 517  -2.739  -2.916 -29.386
    8    H3     U 517           H3         U 517  -4.554  -5.973 -26.696
    9    H5     U 517           H5         U 517  -5.553  -2.399 -24.754
   10    H6     U 517           H6         U 517  -4.347  -1.213 -26.529
   11   1H5*    U 518          1H5*        U 518  -4.226   5.584 -29.807
   12   2H5*    U 518          2H5*        U 518  -3.654   4.745 -28.365
   13    H4*    U 518           H4*        U 518  -6.208   5.535 -28.769
   14    H3*    U 518           H3*        U 518  -5.142   3.257 -27.093
   15    H2*    U 518           H2*        U 518  -7.323   2.762 -26.443
   16   2HO*    U 518          2HO*        U 518  -8.073   5.312 -27.533
   17    H1*    U 518           H1*        U 518  -8.326   3.749 -29.040
   18    H3     U 518           H3         U 518 -10.445  -0.086 -29.851
   19    H5     U 518           H5         U 518  -7.027  -1.395 -27.817
   20    H6     U 518           H6         U 518  -6.330   0.952 -27.679
   21   1H5*    U 519          1H5*        U 519  -7.321   5.601 -24.848
   22   2H5*    U 519          2H5*        U 519  -6.680   7.241 -24.739
   23    H4*    U 519           H4*        U 519  -8.346   7.114 -23.097
   24    H3*    U 519           H3*        U 519  -5.594   6.883 -21.914
   25    H2*    U 519           H2*        U 519  -6.537   6.849 -19.728
   26   2HO*    U 519          2HO*        U 519  -9.045   7.157 -21.106
   27    H1*    U 519           H1*        U 519  -8.394   4.868 -20.364
   28    H3     U 519           H3         U 519  -5.009   3.228 -17.648
   29    H5     U 519           H5         U 519  -3.836   2.483 -21.599
   30    H6     U 519           H6         U 519  -5.693   3.914 -22.316
   31   1H5*    U 520          1H5*        U 520  -7.985  10.668 -21.936
   32   2H5*    U 520          2H5*        U 520  -7.246  11.294 -23.410
   33    H4*    U 520           H4*        U 520  -6.657  13.132 -21.322
   34    H3*    U 520           H3*        U 520  -9.288  11.924 -20.929
   35    H2*    U 520           H2*        U 520 -10.585  13.843 -21.273
   36   2HO*    U 520          2HO*        U 520  -9.077  15.078 -19.989
   37    H1*    U 520           H1*        U 520  -9.479  14.750 -23.545
   38    H3     U 520           H3         U 520  -9.756  10.470 -25.966
   39    H5     U 520           H5         U 520 -13.019  11.183 -23.440
   40    H6     U 520           H6         U 520 -11.715  12.998 -22.430
   41   1H5*    G 521          1H5*        G 521 -11.355  14.374 -19.002
   42   2H5*    G 521          2H5*        G 521 -10.525  14.242 -17.452
   43    H4*    G 521           H4*        G 521 -12.863  14.260 -17.027
   44    H3*    G 521           H3*        G 521 -11.491  11.647 -16.581
   45    H2*    G 521           H2*        G 521 -13.528  10.594 -15.945
   46   2HO*    G 521          2HO*        G 521 -15.016  11.959 -15.130
   47    H1*    G 521           H1*        G 521 -14.902  11.519 -18.202
   48    H8     G 521           H8         G 521 -11.292  10.207 -18.013
   49    H1     G 521           H1         G 521 -15.569   6.260 -20.843
   50   1H2     G 521          1H2         G 521 -17.439   7.129 -20.804
   51   2H2     G 521          2H2         G 521 -17.795   8.694 -20.109
   52   1H5*    C 522          1H5*        C 522 -10.154  12.679 -11.770
   53   2H5*    C 522          2H5*        C 522 -11.465  13.007 -10.637
   54    H4*    C 522           H4*        C 522  -9.759  14.866 -11.135
   55    H3*    C 522           H3*        C 522 -12.736  15.207 -11.006
   56    H2*    C 522           H2*        C 522 -12.512  17.539 -11.414
   57   2HO*    C 522          2HO*        C 522  -9.683  17.042 -11.469
   58    H1*    C 522           H1*        C 522 -10.773  17.131 -13.594
   59   1H4     C 522          1H4         C 522 -16.625  17.946 -16.074
   60   2H4     C 522          2H4         C 522 -16.835  16.210 -16.023
   61    H5     C 522           H5         C 522 -15.296  14.726 -15.020
   62    H6     C 522           H6         C 522 -13.154  14.541 -13.805
   63   1H5*    U 523          1H5*        U 523 -12.620  13.210  -7.643
   64   2H5*    U 523          2H5*        U 523 -12.650  13.925  -9.255
   65    H4*    U 523           H4*        U 523 -14.637  12.703  -9.094
   66    H3*    U 523           H3*        U 523 -15.076  15.643  -8.739
   67    H2*    U 523           H2*        U 523 -17.413  15.315  -8.461
   68   2HO*    U 523          2HO*        U 523 -17.640  13.668  -9.985
   69    H1*    U 523           H1*        U 523 -17.039  13.222  -6.601
   70    H3     U 523           H3         U 523 -17.281  15.762  -2.883
   71    H5     U 523           H5         U 523 -16.471  18.548  -5.901
   72    H6     U 523           H6         U 523 -16.210  16.657  -7.441
   73   1H    ALA   1           HN       ALA   1 -25.627  -2.168 -37.010
   74    HA   ALA   1           HA       ALA   1 -26.197  -0.829 -38.675
   75   1HB   ALA   1          1HB       ALA   1 -26.846  -2.157 -40.364
   76   2HB   ALA   1          2HB       ALA   1 -27.467  -3.359 -39.207
   77   3HB   ALA   1          3HB       ALA   1 -28.525  -2.049 -39.783
   78    H    THR   2           HN       THR   2 -26.771   0.747 -36.967
   79    HA   THR   2           HA       THR   2 -29.526   1.582 -37.302
   80    HB   THR   2           HB       THR   2 -28.296   0.721 -34.641
   81    HG1  THR   2           HG1      THR   2 -30.686   0.242 -36.270
   82   1HG2  THR   2          1HG2      THR   2 -30.977   1.580 -34.275
   83   2HG2  THR   2          2HG2      THR   2 -29.521   2.361 -33.616
   84   3HG2  THR   2          3HG2      THR   2 -30.190   2.900 -35.175
   85    H    VAL   3           HN       VAL   3 -29.844   3.802 -37.006
   86    HA   VAL   3           HA       VAL   3 -27.347   5.284 -37.057
   87    HB   VAL   3           HB       VAL   3 -30.220   5.990 -37.676
   88   1HG1  VAL   3          1HG1      VAL   3 -29.102   8.108 -38.652
   89   2HG1  VAL   3          2HG1      VAL   3 -29.362   8.026 -36.893
   90   3HG1  VAL   3          3HG1      VAL   3 -27.745   7.716 -37.569
   91   1HG2  VAL   3          1HG2      VAL   3 -29.745   5.135 -39.680
   92   2HG2  VAL   3          2HG2      VAL   3 -28.528   6.418 -39.891
   93   3HG2  VAL   3          3HG2      VAL   3 -28.053   4.844 -39.208
   94    H    VAL   4           HN       VAL   4 -26.738   6.815 -35.523
   95    HA   VAL   4           HA       VAL   4 -27.922   6.476 -32.949
   96    HB   VAL   4           HB       VAL   4 -25.519   6.709 -33.288
   97   1HG1  VAL   4          1HG1      VAL   4 -24.987   8.116 -34.994
   98   2HG1  VAL   4          2HG1      VAL   4 -26.348   9.214 -34.663
   99   3HG1  VAL   4          3HG1      VAL   4 -24.872   9.301 -33.671
  100   1HG2  VAL   4          1HG2      VAL   4 -26.893   8.862 -31.664
  101   2HG2  VAL   4          2HG2      VAL   4 -26.245   7.299 -31.114
  102   3HG2  VAL   4          3HG2      VAL   4 -25.134   8.598 -31.611
  103    H    SER   5           HN       SER   5 -29.065   8.025 -31.702
  104    HA   SER   5           HA       SER   5 -29.566  10.594 -32.616
  105   1HB   SER   5          2HB       SER   5 -31.568   8.480 -33.407
  106   2HB   SER   5          3HB       SER   5 -32.168  10.058 -32.935
  107    HG   SER   5           HG       SER   5 -31.556   9.579 -35.317
  108    H    GLY   6           HN       GLY   6 -30.372  11.798 -30.876
  109   1HA   GLY   6          1HA       GLY   6 -32.173  11.431 -29.032
  110   2HA   GLY   6          2HA       GLY   6 -31.003  10.259 -28.458
  111    H    GLN   7           HN       GLN   7 -31.393  13.734 -29.373
  112    HA   GLN   7           HA       GLN   7 -29.988  14.525 -27.074
  113   1HB   GLN   7          2HB       GLN   7 -28.049  15.604 -28.138
  114   2HB   GLN   7          3HB       GLN   7 -28.027  13.879 -28.444
  115   1HG   GLN   7          2HG       GLN   7 -27.868  14.359 -30.656
  116   2HG   GLN   7          3HG       GLN   7 -29.532  14.906 -30.589
  117   1HE2  GLN   7          1HE2      GLN   7 -29.249  16.480 -32.117
  118   2HE2  GLN   7          2HE2      GLN   7 -28.374  17.949 -31.845
  119    H    LYS   8           HN       LYS   8 -29.630  17.065 -27.178
  120    HA   LYS   8           HA       LYS   8 -32.127  18.150 -27.983
  121   1HB   LYS   8          2HB       LYS   8 -30.721  18.767 -25.942
  122   2HB   LYS   8          3HB       LYS   8 -29.691  19.673 -27.033
  123   1HG   LYS   8          2HG       LYS   8 -31.172  21.370 -26.533
  124   2HG   LYS   8          3HG       LYS   8 -32.077  20.657 -27.854
  125   1HD   LYS   8          2HD       LYS   8 -33.743  19.923 -26.474
  126   2HD   LYS   8          3HD       LYS   8 -32.613  19.299 -25.289
  127   1HE   LYS   8          2HE       LYS   8 -32.930  21.109 -23.957
  128   2HE   LYS   8          3HE       LYS   8 -32.469  22.195 -25.254
  129   1HZ   LYS   8          1HZ       LYS   8 -34.591  22.801 -25.109
  130   2HZ   LYS   8          2HZ       LYS   8 -34.908  21.475 -26.007
  131   3HZ   LYS   8          3HZ       LYS   8 -35.084  21.423 -24.384
  132    H    GLN   9           HN       GLN   9 -32.686  18.808 -29.981
  133    HA   GLN   9           HA       GLN   9 -30.568  19.181 -31.888
  134   1HB   GLN   9          2HB       GLN   9 -33.201  18.174 -32.001
  135   2HB   GLN   9          3HB       GLN   9 -33.280  19.689 -32.878
  136   1HG   GLN   9          2HG       GLN   9 -31.010  18.786 -33.986
  137   2HG   GLN   9          3HG       GLN   9 -31.637  17.228 -33.483
  138   1HE2  GLN   9          1HE2      GLN   9 -31.350  19.000 -36.062
  139   2HE2  GLN   9          2HE2      GLN   9 -32.830  18.717 -36.916
  140    H    ASP  10           HN       ASP  10 -30.565  21.112 -33.364
  141    HA   ASP  10           HA       ASP  10 -30.511  23.248 -33.732
  142   1HB   ASP  10          2HB       ASP  10 -32.903  23.421 -31.837
  143   2HB   ASP  10          3HB       ASP  10 -32.372  24.714 -32.893
  144    H    ARG  11           HN       ARG  11 -29.587  25.226 -32.772
  145    HA   ARG  11           HA       ARG  11 -28.304  26.265 -31.371
  146   1HB   ARG  11          2HB       ARG  11 -30.482  26.818 -30.311
  147   2HB   ARG  11          3HB       ARG  11 -30.408  25.362 -29.340
  148   1HG   ARG  11          2HG       ARG  11 -29.467  26.731 -27.763
  149   2HG   ARG  11          3HG       ARG  11 -27.993  26.486 -28.682
  150   1HD   ARG  11          2HD       ARG  11 -28.350  28.556 -29.945
  151   2HD   ARG  11          3HD       ARG  11 -29.952  28.757 -29.262
  152    HE   ARG  11           HE       ARG  11 -28.387  28.676 -27.007
  153   1HH1  ARG  11          2HH2      ARG  11 -28.150  30.526 -29.990
  154   2HH1  ARG  11          1HH2      ARG  11 -27.366  31.877 -29.240
  155   1HH2  ARG  11          2HH1      ARG  11 -27.353  30.457 -26.017
  156   2HH2  ARG  11          1HH1      ARG  11 -26.909  31.837 -26.965
  157    H    GLN  12           HN       GLN  12 -26.467  24.812 -31.559
  158    HA   GLN  12           HA       GLN  12 -25.557  23.841 -29.139
  159   1HB   GLN  12          2HB       GLN  12 -27.350  22.050 -29.883
  160   2HB   GLN  12          3HB       GLN  12 -26.110  21.521 -31.004
  161   1HG   GLN  12          2HG       GLN  12 -25.746  20.192 -29.062
  162   2HG   GLN  12          3HG       GLN  12 -24.508  21.429 -28.974
  163   1HE2  GLN  12          1HE2      GLN  12 -24.227  22.213 -27.043
  164   2HE2  GLN  12          2HE2      GLN  12 -25.429  22.478 -25.824
  165    H    GLY  13           HN       GLY  13 -23.888  25.273 -30.044
  166   1HA   GLY  13          1HA       GLY  13 -22.181  23.845 -31.989
  167   2HA   GLY  13          2HA       GLY  13 -22.514  25.559 -32.138
  168    H    GLY  14           HN       GLY  14 -20.694  23.077 -30.437
  169   1HA   GLY  14          1HA       GLY  14 -18.560  23.611 -29.566
  170   2HA   GLY  14          2HA       GLY  14 -19.143  25.198 -29.106
  171    H    GLU  15           HN       GLU  15 -18.057  24.387 -26.993
  172    HA   GLU  15           HA       GLU  15 -18.242  23.768 -24.921
  173   1HB   GLU  15          2HB       GLU  15 -21.108  24.237 -25.661
  174   2HB   GLU  15          3HB       GLU  15 -20.818  23.397 -24.151
  175   1HG   GLU  15          2HG       GLU  15 -18.951  25.531 -24.156
  176   2HG   GLU  15          3HG       GLU  15 -20.424  26.229 -24.798
  177    H    ARG  16           HN       ARG  16 -17.653  21.812 -24.077
  178    HA   ARG  16           HA       ARG  16 -17.591  19.690 -23.667
  179   1HB   ARG  16          2HB       ARG  16 -20.443  20.080 -24.310
  180   2HB   ARG  16          3HB       ARG  16 -19.913  18.459 -24.715
  181   1HG   ARG  16          2HG       ARG  16 -19.143  18.042 -22.453
  182   2HG   ARG  16          3HG       ARG  16 -19.290  19.733 -22.017
  183   1HD   ARG  16          2HD       ARG  16 -21.341  19.149 -21.189
  184   2HD   ARG  16          3HD       ARG  16 -21.869  19.182 -22.860
  185    HE   ARG  16           HE       ARG  16 -20.672  16.621 -22.115
  186   1HH1  ARG  16          2HH2      ARG  16 -23.642  18.509 -22.078
  187   2HH1  ARG  16          1HH2      ARG  16 -24.673  17.121 -21.996
  188   1HH2  ARG  16          2HH1      ARG  16 -22.033  14.789 -22.008
  189   2HH2  ARG  16          1HH1      ARG  16 -23.753  14.991 -21.956
  190    H    ARG  17           HN       ARG  17 -16.287  18.275 -24.802
  191    HA   ARG  17           HA       ARG  17 -17.022  17.096 -27.159
  192   1HB   ARG  17          2HB       ARG  17 -16.281  19.714 -27.706
  193   2HB   ARG  17          3HB       ARG  17 -14.756  18.879 -27.928
  194   1HG   ARG  17          2HG       ARG  17 -16.558  17.188 -29.230
  195   2HG   ARG  17          3HG       ARG  17 -17.216  18.775 -29.577
  196   1HD   ARG  17          2HD       ARG  17 -14.249  18.545 -29.873
  197   2HD   ARG  17          3HD       ARG  17 -15.184  17.605 -31.018
  198    HE   ARG  17           HE       ARG  17 -15.005  20.523 -30.890
  199   1HH1  ARG  17          2HH2      ARG  17 -16.975  17.814 -31.971
  200   2HH1  ARG  17          1HH2      ARG  17 -17.793  18.731 -33.192
  201   1HH2  ARG  17          2HH1      ARG  17 -16.085  21.733 -32.501
  202   2HH2  ARG  17          1HH1      ARG  17 -17.283  20.974 -33.496
  203    H    ARG  18           HN       ARG  18 -16.002  15.172 -26.667
  204    HA   ARG  18           HA       ARG  18 -13.152  15.307 -26.267
  205   1HB   ARG  18          2HB       ARG  18 -15.162  14.308 -24.258
  206   2HB   ARG  18          3HB       ARG  18 -13.692  13.370 -24.433
  207   1HG   ARG  18          2HG       ARG  18 -12.297  15.289 -23.896
  208   2HG   ARG  18          3HG       ARG  18 -13.655  16.390 -24.015
  209   1HD   ARG  18          2HD       ARG  18 -14.704  14.864 -22.104
  210   2HD   ARG  18          3HD       ARG  18 -13.043  14.371 -21.838
  211    HE   ARG  18           HE       ARG  18 -12.561  16.499 -20.972
  212   1HH1  ARG  18          2HH2      ARG  18 -15.646  16.593 -22.662
  213   2HH1  ARG  18          1HH2      ARG  18 -16.042  18.188 -22.115
  214   1HH2  ARG  18          2HH1      ARG  18 -13.084  18.603 -20.250
  215   2HH2  ARG  18          1HH1      ARG  18 -14.575  19.339 -20.734
  216    H    SER  19           HN       SER  19 -13.384  14.469 -28.548
  217    HA   SER  19           HA       SER  19 -13.572  12.915 -30.068
  218   1HB   SER  19          2HB       SER  19 -11.941  11.934 -27.963
  219   2HB   SER  19          3HB       SER  19 -12.929  10.570 -28.449
  220    HG   SER  19           HG       SER  19 -11.188  10.487 -29.825
  221    H    GLN  20           HN       GLN  20 -16.077  13.502 -28.902
  222    HA   GLN  20           HA       GLN  20 -18.094  12.753 -28.548
  223   1HB   GLN  20          2HB       GLN  20 -17.078  11.476 -30.898
  224   2HB   GLN  20          3HB       GLN  20 -18.068  10.289 -30.074
  225   1HG   GLN  20          2HG       GLN  20 -19.757  11.355 -31.231
  226   2HG   GLN  20          3HG       GLN  20 -19.737  12.400 -29.825
  227   1HE2  GLN  20          1HE2      GLN  20 -20.076  14.382 -30.485
  228   2HE2  GLN  20          2HE2      GLN  20 -19.266  15.209 -31.773
  229    H    LEU  21           HN       LEU  21 -16.483  12.081 -26.416
  230    HA   LEU  21           HA       LEU  21 -17.084   9.274 -25.852
  231   1HB   LEU  21          2HB       LEU  21 -14.792   9.807 -25.571
  232   2HB   LEU  21          3HB       LEU  21 -15.158  11.259 -24.660
  233    HG   LEU  21           HG       LEU  21 -14.304   9.158 -23.416
  234   1HD1  LEU  21          1HD1      LEU  21 -16.554   9.868 -21.801
  235   2HD1  LEU  21          2HD1      LEU  21 -14.859  10.392 -21.661
  236   3HD1  LEU  21          3HD1      LEU  21 -15.995  11.315 -22.675
  237   1HD2  LEU  21          1HD2      LEU  21 -15.955   7.625 -24.509
  238   2HD2  LEU  21          2HD2      LEU  21 -15.913   7.530 -22.732
  239   3HD2  LEU  21          3HD2      LEU  21 -17.232   8.405 -23.546
  240    H    ASP  22           HN       ASP  22 -19.090   8.995 -25.018
  241    HA   ASP  22           HA       ASP  22 -20.469  11.053 -23.759
  242   1HB   ASP  22          2HB       ASP  22 -21.263   8.780 -24.871
  243   2HB   ASP  22          3HB       ASP  22 -21.043   8.116 -23.264
  244    H    ARG  23           HN       ARG  23 -21.247  10.993 -21.411
  245    HA   ARG  23           HA       ARG  23 -19.061  10.670 -19.713
  246   1HB   ARG  23          2HB       ARG  23 -22.023  11.221 -19.253
  247   2HB   ARG  23          3HB       ARG  23 -20.915  11.075 -17.904
  248   1HG   ARG  23          2HG       ARG  23 -20.435  12.991 -20.229
  249   2HG   ARG  23          3HG       ARG  23 -21.308  13.458 -18.783
  250   1HD   ARG  23          2HD       ARG  23 -18.501  12.266 -18.672
  251   2HD   ARG  23          3HD       ARG  23 -18.779  13.990 -18.823
  252    HE   ARG  23           HE       ARG  23 -20.375  13.208 -16.661
  253   1HH1  ARG  23          2HH2      ARG  23 -16.951  13.034 -17.455
  254   2HH1  ARG  23          1HH2      ARG  23 -16.434  13.110 -15.804
  255   1HH2  ARG  23          2HH1      ARG  23 -19.693  13.309 -14.483
  256   2HH2  ARG  23          1HH1      ARG  23 -18.004  13.267 -14.102
  257    H    ASP  24           HN       ASP  24 -21.113   8.373 -21.078
  258    HA   ASP  24           HA       ASP  24 -20.624   6.579 -18.835
  259   1HB   ASP  24          2HB       ASP  24 -23.131   7.128 -20.376
  260   2HB   ASP  24          3HB       ASP  24 -22.796   5.436 -20.068
  261    H    GLN  25           HN       GLN  25 -19.209   7.292 -21.475
  262    HA   GLN  25           HA       GLN  25 -19.546   4.749 -22.851
  263   1HB   GLN  25          2HB       GLN  25 -19.200   7.457 -23.765
  264   2HB   GLN  25          3HB       GLN  25 -17.796   6.542 -24.278
  265   1HG   GLN  25          2HG       GLN  25 -19.268   4.817 -25.303
  266   2HG   GLN  25          3HG       GLN  25 -20.690   5.676 -24.743
  267   1HE2  GLN  25          1HE2      GLN  25 -17.902   5.769 -26.866
  268   2HE2  GLN  25          2HE2      GLN  25 -18.480   6.966 -27.976
  269    H    CYS  26           HN       CYS  26 -17.149   4.349 -24.096
  270    HA   CYS  26           HA       CYS  26 -15.249   4.310 -21.864
  271   1HB   CYS  26          2HB       CYS  26 -16.048   2.061 -22.235
  272   2HB   CYS  26          3HB       CYS  26 -15.768   2.180 -23.960
  273    H    ALA  27           HN       ALA  27 -13.273   5.270 -22.313
  274    HA   ALA  27           HA       ALA  27 -12.898   6.211 -25.054
  275   1HB   ALA  27          1HB       ALA  27 -10.966   7.440 -23.588
  276   2HB   ALA  27          2HB       ALA  27 -12.617   8.079 -23.771
  277   3HB   ALA  27          3HB       ALA  27 -12.181   7.146 -22.320
  278    H    TYR  28           HN       TYR  28 -12.529   3.392 -24.458
  279    HA   TYR  28           HA       TYR  28  -9.632   3.240 -24.928
  280   1HB   TYR  28          2HB       TYR  28 -10.753   2.478 -22.604
  281   2HB   TYR  28          3HB       TYR  28 -11.350   1.119 -23.538
  282    HD1  TYR  28           HD1      TYR  28  -8.183   2.886 -22.620
  283    HD2  TYR  28           HD2      TYR  28 -10.010  -0.784 -23.847
  284    HE1  TYR  28           HE1      TYR  28  -5.985   1.661 -22.256
  285    HE2  TYR  28           HE2      TYR  28  -7.805  -1.995 -23.479
  286    HH   TYR  28           HH       TYR  28  -4.875  -0.284 -22.947
  287    H    CYS  29           HN       CYS  29 -12.760   1.388 -25.107
  288    HA   CYS  29           HA       CYS  29 -11.747   0.242 -27.601
  289   1HB   CYS  29          2HB       CYS  29 -13.321  -1.586 -27.259
  290   2HB   CYS  29          3HB       CYS  29 -12.272  -1.416 -25.866
  291    H    LYS  30           HN       LYS  30 -13.903   2.523 -26.159
  292    HA   LYS  30           HA       LYS  30 -15.252   3.991 -27.169
  293   1HB   LYS  30          2HB       LYS  30 -15.214   2.335 -29.699
  294   2HB   LYS  30          3HB       LYS  30 -15.666   4.018 -29.521
  295   1HG   LYS  30          2HG       LYS  30 -12.907   3.218 -28.610
  296   2HG   LYS  30          3HG       LYS  30 -13.202   3.272 -30.336
  297   1HD   LYS  30          2HD       LYS  30 -13.155   5.543 -30.354
  298   2HD   LYS  30          3HD       LYS  30 -14.344   5.639 -29.071
  299   1HE   LYS  30          2HE       LYS  30 -12.749   6.159 -27.541
  300   2HE   LYS  30          3HE       LYS  30 -11.816   4.733 -27.953
  301   1HZ   LYS  30          1HZ       LYS  30 -11.037   7.215 -28.448
  302   2HZ   LYS  30          2HZ       LYS  30 -10.497   5.916 -29.280
  303   3HZ   LYS  30          3HZ       LYS  30 -11.698   6.837 -29.893
  304    H    GLU  31           HN       GLU  31 -15.854   1.399 -25.715
  305    HA   GLU  31           HA       GLU  31 -18.398   0.689 -26.843
  306   1HB   GLU  31          2HB       GLU  31 -16.979  -1.094 -25.936
  307   2HB   GLU  31          3HB       GLU  31 -16.899  -0.296 -24.378
  308   1HG   GLU  31          2HG       GLU  31 -19.091  -0.867 -23.803
  309   2HG   GLU  31          3HG       GLU  31 -19.640  -0.895 -25.467
  310    H    LYS  32           HN       LYS  32 -20.437   0.864 -25.645
  311    HA   LYS  32           HA       LYS  32 -20.351   3.084 -23.724
  312   1HB   LYS  32          2HB       LYS  32 -22.784   2.352 -25.335
  313   2HB   LYS  32          3HB       LYS  32 -22.381   3.875 -24.569
  314   1HG   LYS  32          2HG       LYS  32 -21.546   4.574 -26.558
  315   2HG   LYS  32          3HG       LYS  32 -20.241   3.423 -26.352
  316   1HD   LYS  32          2HD       LYS  32 -21.076   2.012 -27.941
  317   2HD   LYS  32          3HD       LYS  32 -22.707   2.124 -27.310
  318   1HE   LYS  32          2HE       LYS  32 -22.836   4.463 -28.394
  319   2HE   LYS  32          3HE       LYS  32 -21.328   4.080 -29.201
  320   1HZ   LYS  32          1HZ       LYS  32 -22.946   3.402 -30.664
  321   2HZ   LYS  32          2HZ       LYS  32 -22.550   1.995 -29.935
  322   3HZ   LYS  32          3HZ       LYS  32 -23.921   2.776 -29.513
  323    H    GLY  33           HN       GLY  33 -20.941   2.651 -21.664
  324   1HA   GLY  33          1HA       GLY  33 -22.856   1.521 -20.442
  325   2HA   GLY  33          2HA       GLY  33 -22.246   0.048 -21.171
  326    H    HIS  34           HN       HIS  34 -19.372   1.062 -21.028
  327    HA   HIS  34           HA       HIS  34 -19.032   0.940 -18.126
  328   1HB   HIS  34          2HB       HIS  34 -17.270  -0.673 -18.331
  329   2HB   HIS  34          3HB       HIS  34 -18.711  -1.308 -19.098
  330    HD1  HIS  34           HD1      HIS  34 -18.514  -2.039 -21.514
  331    HD2  HIS  34           HD2      HIS  34 -15.257   0.284 -20.251
  332    HE1  HIS  34           HE1      HIS  34 -16.800  -2.124 -23.403
  333    H    TRP  35           HN       TRP  35 -16.744   1.644 -17.475
  334    HA   TRP  35           HA       TRP  35 -16.058   3.948 -19.135
  335   1HB   TRP  35          2HB       TRP  35 -15.884   3.284 -16.246
  336   2HB   TRP  35          3HB       TRP  35 -14.603   4.283 -16.904
  337    HD1  TRP  35           HD1      TRP  35 -18.415   4.489 -17.750
  338    HE1  TRP  35           HE1      TRP  35 -19.331   6.920 -17.292
  339    HE3  TRP  35           HE3      TRP  35 -14.072   6.336 -15.859
  340    HZ2  TRP  35           HZ2      TRP  35 -18.162   9.291 -16.215
  341    HZ3  TRP  35           HZ3      TRP  35 -14.044   8.719 -15.127
  342    HH2  TRP  35           HH2      TRP  35 -15.996  10.182 -15.281
  343    H    ALA  36           HN       ALA  36 -13.652   4.413 -19.365
  344    HA   ALA  36           HA       ALA  36 -12.368   2.259 -20.548
  345   1HB   ALA  36          1HB       ALA  36 -10.347   3.837 -20.365
  346   2HB   ALA  36          2HB       ALA  36 -11.784   4.469 -21.204
  347   3HB   ALA  36          3HB       ALA  36 -11.443   4.962 -19.528
  348    H    LYS  37           HN       LYS  37 -12.133   3.657 -17.234
  349    HA   LYS  37           HA       LYS  37  -9.985   2.007 -16.446
  350   1HB   LYS  37          2HB       LYS  37 -12.008   3.701 -14.984
  351   2HB   LYS  37          3HB       LYS  37 -10.865   2.700 -14.111
  352   1HG   LYS  37          2HG       LYS  37  -8.969   3.814 -15.288
  353   2HG   LYS  37          3HG       LYS  37 -10.099   4.793 -16.202
  354   1HD   LYS  37          2HD       LYS  37 -10.217   4.816 -13.173
  355   2HD   LYS  37          3HD       LYS  37  -8.991   5.761 -13.995
  356   1HE   LYS  37          2HE       LYS  37 -11.343   6.349 -15.426
  357   2HE   LYS  37          3HE       LYS  37 -11.888   6.257 -13.763
  358   1HZ   LYS  37          1HZ       LYS  37  -9.444   7.659 -13.984
  359   2HZ   LYS  37          2HZ       LYS  37 -10.602   8.344 -14.909
  360   3HZ   LYS  37          3HZ       LYS  37 -10.853   8.137 -13.309
  361    H    ASP  38           HN       ASP  38 -13.212   1.297 -17.250
  362    HA   ASP  38           HA       ASP  38 -13.061  -1.104 -15.600
  363   1HB   ASP  38          2HB       ASP  38 -15.131   0.863 -15.805
  364   2HB   ASP  38          3HB       ASP  38 -15.736  -0.567 -16.617
  365    H    CYS  39           HN       CYS  39 -12.233  -0.159 -18.518
  366    HA   CYS  39           HA       CYS  39 -13.912  -1.456 -20.322
  367   1HB   CYS  39          2HB       CYS  39 -12.220   0.269 -20.925
  368   2HB   CYS  39          3HB       CYS  39 -10.943  -0.887 -20.604
  369    HA   PRO  40           HA       PRO  40 -12.756  -5.572 -19.383
  370   1HB   PRO  40          2HB       PRO  40 -14.133  -6.849 -21.369
  371   2HB   PRO  40          3HB       PRO  40 -14.869  -6.354 -19.858
  372   1HG   PRO  40          2HG       PRO  40 -15.131  -5.130 -22.537
  373   2HG   PRO  40          3HG       PRO  40 -16.160  -4.928 -21.131
  374   1HD   PRO  40          2HD       PRO  40 -14.207  -3.069 -22.112
  375   2HD   PRO  40          3HD       PRO  40 -15.152  -2.920 -20.643
  376    H    LYS  41           HN       LYS  41 -11.590  -3.748 -21.795
  377    HA   LYS  41           HA       LYS  41  -9.990  -5.992 -22.812
  378   1HB   LYS  41          2HB       LYS  41 -11.481  -4.729 -24.436
  379   2HB   LYS  41          3HB       LYS  41 -10.456  -3.332 -24.178
  380   1HG   LYS  41          2HG       LYS  41  -8.486  -5.055 -24.709
  381   2HG   LYS  41          3HG       LYS  41  -9.764  -5.976 -25.475
  382   1HD   LYS  41          2HD       LYS  41 -10.278  -4.190 -27.014
  383   2HD   LYS  41          3HD       LYS  41  -9.350  -3.023 -26.092
  384   1HE   LYS  41          2HE       LYS  41  -7.964  -3.598 -27.963
  385   2HE   LYS  41          3HE       LYS  41  -7.265  -4.443 -26.595
  386   1HZ   LYS  41          1HZ       LYS  41  -8.828  -6.316 -27.362
  387   2HZ   LYS  41          2HZ       LYS  41  -8.824  -5.532 -28.795
  388   3HZ   LYS  41          3HZ       LYS  41  -7.422  -6.072 -28.156
  389    H    LYS  42           HN       LYS  42  -9.828  -4.102 -20.308
  390    HA   LYS  42           HA       LYS  42  -7.200  -2.959 -20.900
  391   1HB   LYS  42          2HB       LYS  42  -9.472  -2.082 -19.366
  392   2HB   LYS  42          3HB       LYS  42  -8.090  -2.240 -18.300
  393   1HG   LYS  42          2HG       LYS  42  -6.718  -0.895 -19.949
  394   2HG   LYS  42          3HG       LYS  42  -8.158  -0.671 -20.922
  395   1HD   LYS  42          2HD       LYS  42  -8.807   1.066 -19.620
  396   2HD   LYS  42          3HD       LYS  42  -8.825   0.031 -18.206
  397   1HE   LYS  42          2HE       LYS  42  -6.276   0.366 -18.064
  398   2HE   LYS  42          3HE       LYS  42  -6.446   1.593 -19.305
  399   1HZ   LYS  42          1HZ       LYS  42  -7.727   2.896 -17.903
  400   2HZ   LYS  42          2HZ       LYS  42  -8.054   1.681 -16.861
  401   3HZ   LYS  42          3HZ       LYS  42  -6.555   2.330 -16.918
  402    HA   PRO  43           HA       PRO  43  -5.750  -6.514 -18.763
  403   1HB   PRO  43          2HB       PRO  43  -3.154  -6.342 -19.602
  404   2HB   PRO  43          3HB       PRO  43  -4.401  -7.179 -20.507
  405   1HG   PRO  43          2HG       PRO  43  -3.165  -4.550 -21.051
  406   2HG   PRO  43          3HG       PRO  43  -4.076  -5.582 -22.137
  407   1HD   PRO  43          2HD       PRO  43  -5.015  -3.203 -20.838
  408   2HD   PRO  43          3HD       PRO  43  -5.957  -4.297 -21.831
  409    H    ARG  44           HN       ARG  44  -4.571  -7.016 -16.880
  410    HA   ARG  44           HA       ARG  44  -3.780  -6.522 -14.931
  411   1HB   ARG  44          2HB       ARG  44  -1.790  -5.821 -16.394
  412   2HB   ARG  44          3HB       ARG  44  -2.335  -4.164 -16.235
  413   1HG   ARG  44          2HG       ARG  44  -2.326  -4.803 -13.609
  414   2HG   ARG  44          3HG       ARG  44  -1.148  -5.983 -14.148
  415   1HD   ARG  44          2HD       ARG  44  -0.558  -3.425 -15.401
  416   2HD   ARG  44          3HD       ARG  44  -0.734  -3.186 -13.675
  417    HE   ARG  44           HE       ARG  44   1.199  -4.473 -13.304
  418   1HH1  ARG  44          2HH2      ARG  44   0.127  -4.873 -16.631
  419   2HH1  ARG  44          1HH2      ARG  44   1.557  -5.715 -17.125
  420   1HH2  ARG  44          2HH1      ARG  44   3.087  -5.584 -13.955
  421   2HH2  ARG  44          1HH1      ARG  44   3.252  -6.122 -15.594
  422    H    GLY  45           HN       GLY  45  -5.279  -5.777 -13.453
  423   1HA   GLY  45          1HA       GLY  45  -5.509  -3.273 -12.505
  424   2HA   GLY  45          2HA       GLY  45  -6.606  -3.236 -13.872
  425    HA   PRO  46           HA       PRO  46  -7.675  -2.048 -12.606
  426   1HB   PRO  46          2HB       PRO  46  -8.982  -0.919 -10.489
  427   2HB   PRO  46          3HB       PRO  46  -9.796  -1.434 -11.953
  428   1HG   PRO  46          2HG       PRO  46  -9.762  -2.731  -9.296
  429   2HG   PRO  46          3HG       PRO  46 -10.879  -2.977 -10.624
  430   1HD   PRO  46          2HD       PRO  46  -8.728  -4.710  -9.846
  431   2HD   PRO  46          3HD       PRO  46  -9.771  -4.896 -11.242
  432    H    ARG  47           HN       ARG  47  -5.952  -0.749 -12.426
  433    HA   ARG  47           HA       ARG  47  -3.961  -0.254 -11.658
  434   1HB   ARG  47          2HB       ARG  47  -5.892   1.080 -10.253
  435   2HB   ARG  47          3HB       ARG  47  -5.058   0.313  -8.915
  436   1HG   ARG  47          2HG       ARG  47  -3.522   1.822 -11.065
  437   2HG   ARG  47          3HG       ARG  47  -4.229   2.664  -9.700
  438   1HD   ARG  47          2HD       ARG  47  -2.873   1.460  -8.111
  439   2HD   ARG  47          3HD       ARG  47  -2.417   0.250  -9.294
  440    HE   ARG  47           HE       ARG  47  -1.497   2.638 -10.396
  441   1HH1  ARG  47          2HH2      ARG  47  -1.006   0.962  -7.340
  442   2HH1  ARG  47          1HH2      ARG  47   0.590   1.594  -7.104
  443   1HH2  ARG  47          2HH1      ARG  47   0.607   3.470 -10.085
  444   2HH2  ARG  47          1HH1      ARG  47   1.513   3.030  -8.676
  445    H    GLY  48           HN       GLY  48  -3.124  -2.510 -11.663
  446   1HA   GLY  48          1HA       GLY  48  -1.540  -3.694 -10.341
  447   2HA   GLY  48          2HA       GLY  48  -2.537  -3.434  -8.923
  448    HA   PRO  49           HA       PRO  49  -3.704  -7.544 -10.239
  449   1HB   PRO  49          2HB       PRO  49  -3.977  -8.609  -7.738
  450   2HB   PRO  49          3HB       PRO  49  -2.477  -8.662  -8.643
  451   1HG   PRO  49          2HG       PRO  49  -3.196  -6.946  -6.346
  452   2HG   PRO  49          3HG       PRO  49  -1.606  -7.319  -6.983
  453   1HD   PRO  49          2HD       PRO  49  -3.075  -4.882  -7.353
  454   2HD   PRO  49          3HD       PRO  49  -1.538  -5.301  -8.083
  455    H    ARG  50           HN       ARG  50  -5.642  -8.954  -9.891
  456    HA   ARG  50           HA       ARG  50  -7.820  -7.101  -9.543
  457   1HB   ARG  50          2HB       ARG  50  -9.201  -8.885 -10.597
  458   2HB   ARG  50          3HB       ARG  50  -7.795  -8.523 -11.578
  459   1HG   ARG  50          2HG       ARG  50  -7.158 -10.598  -9.614
  460   2HG   ARG  50          3HG       ARG  50  -8.564 -11.059 -10.555
  461   1HD   ARG  50          2HD       ARG  50  -7.198 -10.398 -12.658
  462   2HD   ARG  50          3HD       ARG  50  -5.799 -10.315 -11.606
  463    HE   ARG  50           HE       ARG  50  -7.241 -12.753 -12.422
  464   1HH1  ARG  50          2HH2      ARG  50  -4.915 -11.332 -10.196
  465   2HH1  ARG  50          1HH2      ARG  50  -4.187 -12.850  -9.787
  466   1HH2  ARG  50          2HH1      ARG  50  -6.280 -14.755 -11.883
  467   2HH2  ARG  50          1HH1      ARG  50  -4.968 -14.810 -10.754
  468    HA   PRO  51           HA       PRO  51  -8.955  -8.877  -5.723
  469   1HB   PRO  51          2HB       PRO  51 -11.600  -8.212  -5.577
  470   2HB   PRO  51          3HB       PRO  51 -10.309  -7.089  -5.201
  471   1HG   PRO  51          2HG       PRO  51 -12.024  -7.201  -7.606
  472   2HG   PRO  51          3HG       PRO  51 -11.043  -5.874  -7.018
  473   1HD   PRO  51          2HD       PRO  51 -10.425  -7.630  -9.201
  474   2HD   PRO  51          3HD       PRO  51  -9.393  -6.378  -8.538
  475    H    GLN  52           HN       GLN  52 -11.140 -10.090  -4.709
  476    HA   GLN  52           HA       GLN  52 -11.766 -12.196  -4.533
  477   1HB   GLN  52          2HB       GLN  52 -13.513 -12.800  -6.129
  478   2HB   GLN  52          3HB       GLN  52 -13.595 -11.079  -5.814
  479   1HG   GLN  52          2HG       GLN  52 -11.881 -11.985  -8.119
  480   2HG   GLN  52          3HG       GLN  52 -13.619 -12.080  -8.321
  481   1HE2  GLN  52          1HE2      GLN  52 -13.242 -10.500  -9.995
  482   2HE2  GLN  52          2HE2      GLN  52 -13.166  -8.814  -9.608
  483    H    THR  53           HN       THR  53  -9.057 -12.158  -5.306
  484    HA   THR  53           HA       THR  53  -8.385 -13.548  -7.589
  485    HB   THR  53           HB       THR  53  -6.812 -12.381  -6.027
  486    HG1  THR  53           HG1      THR  53  -5.618 -13.882  -7.159
  487   1HG2  THR  53          1HG2      THR  53  -7.205 -14.862  -4.275
  488   2HG2  THR  53          2HG2      THR  53  -6.069 -13.524  -3.978
  489   3HG2  THR  53          3HG2      THR  53  -7.822 -13.246  -3.859
  490    H    SER  54           HN       SER  54  -8.930 -15.473  -8.376
  491    HA   SER  54           HA       SER  54  -9.653 -17.517  -8.489
  492   1HB   SER  54          2HB       SER  54  -7.406 -17.813  -7.241
  493   2HB   SER  54          3HB       SER  54  -8.358 -18.056  -5.789
  494    HG   SER  54           HG       SER  54  -9.148 -19.587  -8.037
  495    H    LEU  55           HN       LEU  55 -10.950 -19.373  -7.206
  496    HA   LEU  55           HA       LEU  55 -12.734 -19.963  -6.043
  497   1HB   LEU  55          2HB       LEU  55 -11.344 -18.835  -4.183
  498   2HB   LEU  55          3HB       LEU  55 -12.490 -17.517  -4.317
  499    HG   LEU  55           HG       LEU  55 -14.286 -19.415  -4.004
  500   1HD1  LEU  55          1HD1      LEU  55 -13.671 -21.388  -3.028
  501   2HD1  LEU  55          2HD1      LEU  55 -12.261 -21.109  -4.078
  502   3HD1  LEU  55          3HD1      LEU  55 -12.170 -20.717  -2.344
  503   1HD2  LEU  55          1HD2      LEU  55 -13.568 -19.187  -1.377
  504   2HD2  LEU  55          2HD2      LEU  55 -12.723 -17.800  -2.106
  505   3HD2  LEU  55          3HD2      LEU  55 -14.483 -17.973  -2.301
  506    H    LEU  56           HN       LEU  56 -12.889 -16.327  -6.064
  507    HA   LEU  56           HA       LEU  56 -14.339 -14.940  -6.985
  508   1HB   LEU  56          2HB       LEU  56 -14.065 -16.977  -8.876
  509   2HB   LEU  56          3HB       LEU  56 -15.795 -16.732  -8.741
  510    HG   LEU  56           HG       LEU  56 -13.906 -14.415  -9.160
  511   1HD1  LEU  56          1HD1      LEU  56 -13.753 -16.349 -10.915
  512   2HD1  LEU  56          2HD1      LEU  56 -15.318 -15.708 -11.469
  513   3HD1  LEU  56          3HD1      LEU  56 -13.882 -14.656 -11.451
  514   1HD2  LEU  56          1HD2      LEU  56 -16.318 -13.938 -10.451
  515   2HD2  LEU  56          2HD2      LEU  56 -16.788 -14.763  -8.946
  516   3HD2  LEU  56          3HD2      LEU  56 -15.801 -13.283  -8.879
  Start of MODEL   20
    1   1H5*    U 517          1H5*        U 517  -0.795   3.239 -29.200
    2   2H5*    U 517          2H5*        U 517  -2.146   3.643 -28.142
    3    H4*    U 517           H4*        U 517  -2.407   2.706 -30.662
    4    H3*    U 517           H3*        U 517  -4.240   2.709 -28.314
    5    H2*    U 517           H2*        U 517  -5.796   1.275 -29.380
    6   2HO*    U 517          2HO*        U 517  -5.048   0.710 -31.705
    7    H1*    U 517           H1*        U 517  -3.948  -0.619 -30.141
    8    H3     U 517           H3         U 517  -5.441  -2.846 -26.554
    9    H5     U 517           H5         U 517  -3.745   0.586 -24.853
   10    H6     U 517           H6         U 517  -3.321   1.386 -27.131
   11   1H5*    U 518          1H5*        U 518  -6.508   7.814 -29.621
   12   2H5*    U 518          2H5*        U 518  -5.652   7.168 -28.221
   13    H4*    U 518           H4*        U 518  -8.331   7.025 -28.592
   14    H3*    U 518           H3*        U 518  -6.502   5.218 -27.002
   15    H2*    U 518           H2*        U 518  -8.345   3.943 -26.389
   16   2HO*    U 518          2HO*        U 518  -9.795   6.290 -27.220
   17    H1*    U 518           H1*        U 518  -9.691   4.675 -28.925
   18    H3     U 518           H3         U 518 -10.238   0.451 -30.276
   19    H5     U 518           H5         U 518  -6.995   0.133 -27.646
   20    H6     U 518           H6         U 518  -7.095   2.569 -27.385
   21   1H5*    U 519          1H5*        U 519  -8.866   7.234 -24.359
   22   2H5*    U 519          2H5*        U 519  -8.278   8.765 -23.712
   23    H4*    U 519           H4*        U 519  -9.597   7.651 -22.045
   24    H3*    U 519           H3*        U 519  -6.652   7.825 -21.484
   25    H2*    U 519           H2*        U 519  -6.984   6.824 -19.358
   26   2HO*    U 519          2HO*        U 519  -8.905   7.791 -18.784
   27    H1*    U 519           H1*        U 519  -8.535   4.735 -20.340
   28    H3     U 519           H3         U 519  -4.294   3.282 -19.153
   29    H5     U 519           H5         U 519  -4.133   4.216 -23.233
   30    H6     U 519           H6         U 519  -6.347   5.240 -22.985
   31   1H5*    U 520          1H5*        U 520  -5.616  12.269 -21.837
   32   2H5*    U 520          2H5*        U 520  -6.548  13.067 -20.571
   33    H4*    U 520           H4*        U 520  -6.552  14.337 -22.662
   34    H3*    U 520           H3*        U 520  -9.192  13.254 -21.683
   35    H2*    U 520           H2*        U 520 -10.289  14.391 -23.414
   36   2HO*    U 520          2HO*        U 520  -9.419  16.335 -23.873
   37    H1*    U 520           H1*        U 520  -8.042  13.872 -25.214
   38    H3     U 520           H3         U 520 -10.317  11.115 -27.918
   39    H5     U 520           H5         U 520 -12.577  11.013 -24.394
   40    H6     U 520           H6         U 520 -10.856  12.424 -23.366
   41   1H5*    G 521          1H5*        G 521 -11.861  14.885 -20.911
   42   2H5*    G 521          2H5*        G 521 -11.432  15.762 -19.443
   43    H4*    G 521           H4*        G 521 -13.334  14.646 -18.792
   44    H3*    G 521           H3*        G 521 -10.996  12.883 -18.037
   45    H2*    G 521           H2*        G 521 -12.505  11.448 -16.947
   46   2HO*    G 521          2HO*        G 521 -14.345  13.625 -17.374
   47    H1*    G 521           H1*        G 521 -14.499  11.872 -19.015
   48    H8     G 521           H8         G 521 -10.945  10.433 -18.753
   49    H1     G 521           H1         G 521 -15.468   6.356 -20.944
   50   1H2     G 521          1H2         G 521 -17.279   7.334 -21.061
   51   2H2     G 521          2H2         G 521 -17.534   9.010 -20.629
   52   1H5*    C 522          1H5*        C 522 -12.103  13.075 -13.718
   53   2H5*    C 522          2H5*        C 522 -13.146  14.218 -14.564
   54    H4*    C 522           H4*        C 522 -11.914  15.589 -12.383
   55    H3*    C 522           H3*        C 522 -12.925  12.846 -11.668
   56    H2*    C 522           H2*        C 522 -13.889  13.702  -9.699
   57   2HO*    C 522          2HO*        C 522 -13.253  16.127  -9.384
   58    H1*    C 522           H1*        C 522 -14.741  16.100 -11.084
   59   1H4     C 522          1H4         C 522 -20.235  13.070 -10.005
   60   2H4     C 522          2H4         C 522 -19.732  11.750 -11.038
   61    H5     C 522           H5         C 522 -17.607  11.614 -12.060
   62    H6     C 522           H6         C 522 -15.418  12.722 -12.344
   63   1H5*    U 523          1H5*        U 523  -8.559  14.469 -10.399
   64   2H5*    U 523          2H5*        U 523  -8.020  13.077 -11.336
   65    H4*    U 523           H4*        U 523  -6.152  13.436 -10.096
   66    H3*    U 523           H3*        U 523  -7.744  11.337  -8.925
   67    H2*    U 523           H2*        U 523  -7.196  11.557  -6.677
   68   2HO*    U 523          2HO*        U 523  -5.209  13.198  -6.473
   69    H1*    U 523           H1*        U 523  -7.309  14.207  -6.339
   70    H3     U 523           H3         U 523 -11.730  14.792  -8.453
   71    H5     U 523           H5         U 523 -11.386  11.288  -6.186
   72    H6     U 523           H6         U 523  -8.963  11.671  -6.145
   73   1H    ALA   1           HN       ALA   1  24.688  -3.137 -26.482
   74    HA   ALA   1           HA       ALA   1  22.664  -4.082 -28.284
   75   1HB   ALA   1          1HB       ALA   1  20.971  -2.500 -27.019
   76   2HB   ALA   1          2HB       ALA   1  21.195  -4.181 -26.478
   77   3HB   ALA   1          3HB       ALA   1  22.005  -2.852 -25.612
   78    H    THR   2           HN       THR   2  22.368  -2.608 -29.942
   79    HA   THR   2           HA       THR   2  23.710  -0.011 -29.566
   80    HB   THR   2           HB       THR   2  23.549  -1.882 -31.984
   81    HG1  THR   2           HG1      THR   2  25.181  -2.356 -30.372
   82   1HG2  THR   2          1HG2      THR   2  25.281   0.581 -31.919
   83   2HG2  THR   2          2HG2      THR   2  24.533  -0.235 -33.314
   84   3HG2  THR   2          3HG2      THR   2  23.553   0.824 -32.271
   85    H    VAL   3           HN       VAL   3  22.565   1.807 -29.904
   86    HA   VAL   3           HA       VAL   3  20.097   1.573 -31.438
   87    HB   VAL   3           HB       VAL   3  18.864   2.800 -29.707
   88   1HG1  VAL   3          1HG1      VAL   3  20.075   0.146 -28.875
   89   2HG1  VAL   3          2HG1      VAL   3  18.686   0.904 -28.060
   90   3HG1  VAL   3          3HG1      VAL   3  18.561   0.421 -29.769
   91   1HG2  VAL   3          1HG2      VAL   3  19.748   3.591 -27.786
   92   2HG2  VAL   3          2HG2      VAL   3  20.785   2.164 -27.552
   93   3HG2  VAL   3          3HG2      VAL   3  21.294   3.462 -28.658
   94    H    VAL   4           HN       VAL   4  19.337   3.663 -32.251
   95    HA   VAL   4           HA       VAL   4  21.580   5.530 -32.470
   96    HB   VAL   4           HB       VAL   4  20.400   6.337 -34.464
   97   1HG1  VAL   4          1HG1      VAL   4  21.856   4.012 -34.185
   98   2HG1  VAL   4          2HG1      VAL   4  20.417   3.462 -35.075
   99   3HG1  VAL   4          3HG1      VAL   4  21.417   4.782 -35.728
  100   1HG2  VAL   4          1HG2      VAL   4  18.445   5.199 -35.346
  101   2HG2  VAL   4          2HG2      VAL   4  18.439   4.072 -33.969
  102   3HG2  VAL   4          3HG2      VAL   4  18.095   5.798 -33.708
  103    H    SER   5           HN       SER   5  20.655   7.922 -32.897
  104    HA   SER   5           HA       SER   5  18.921   8.396 -30.610
  105   1HB   SER   5          2HB       SER   5  20.975   9.532 -30.267
  106   2HB   SER   5          3HB       SER   5  21.101  10.019 -31.946
  107    HG   SER   5           HG       SER   5  20.227  11.862 -31.308
  108    H    GLY   6           HN       GLY   6  16.803   8.599 -31.273
  109   1HA   GLY   6          1HA       GLY   6  15.799  10.706 -32.656
  110   2HA   GLY   6          2HA       GLY   6  16.154   9.542 -33.916
  111    H    GLN   7           HN       GLN   7  13.995  10.435 -31.330
  112    HA   GLN   7           HA       GLN   7  12.049   8.669 -32.230
  113   1HB   GLN   7          2HB       GLN   7  11.841   7.159 -30.295
  114   2HB   GLN   7          3HB       GLN   7  13.400   6.954 -31.069
  115   1HG   GLN   7          2HG       GLN   7  14.095   8.867 -29.272
  116   2HG   GLN   7          3HG       GLN   7  12.748   8.168 -28.396
  117   1HE2  GLN   7          1HE2      GLN   7  13.026   6.367 -27.288
  118   2HE2  GLN   7          2HE2      GLN   7  14.409   5.326 -27.338
  119    H    LYS   8           HN       LYS   8  10.278   9.955 -31.977
  120    HA   LYS   8           HA       LYS   8   9.438  10.848 -29.471
  121   1HB   LYS   8          2HB       LYS   8  11.256  12.666 -30.900
  122   2HB   LYS   8          3HB       LYS   8   9.728  13.404 -30.465
  123   1HG   LYS   8          2HG       LYS   8  10.836  11.740 -28.288
  124   2HG   LYS   8          3HG       LYS   8  11.920  13.033 -28.759
  125   1HD   LYS   8          2HD       LYS   8   9.041  13.803 -28.480
  126   2HD   LYS   8          3HD       LYS   8   9.849  13.352 -26.992
  127   1HE   LYS   8          2HE       LYS   8  11.065  15.280 -26.948
  128   2HE   LYS   8          3HE       LYS   8  11.552  15.105 -28.623
  129   1HZ   LYS   8          1HZ       LYS   8  10.207  16.842 -28.886
  130   2HZ   LYS   8          2HZ       LYS   8   8.994  15.749 -28.883
  131   3HZ   LYS   8          3HZ       LYS   8   9.354  16.573 -27.520
  132    H    GLN   9           HN       GLN   9   7.509   9.881 -30.172
  133    HA   GLN   9           HA       GLN   9   6.082  11.528 -32.073
  134   1HB   GLN   9          2HB       GLN   9   7.136   9.069 -32.855
  135   2HB   GLN   9          3HB       GLN   9   5.493   8.650 -32.407
  136   1HG   GLN   9          2HG       GLN   9   5.316  11.096 -33.882
  137   2HG   GLN   9          3HG       GLN   9   6.433  10.075 -34.765
  138   1HE2  GLN   9          1HE2      GLN   9   4.922   9.895 -36.436
  139   2HE2  GLN   9          2HE2      GLN   9   3.555   8.835 -36.346
  140    H    ASP  10           HN       ASP  10   3.687  11.260 -31.897
  141    HA   ASP  10           HA       ASP  10   2.603   9.619 -29.925
  142   1HB   ASP  10          2HB       ASP  10   3.657  12.186 -29.027
  143   2HB   ASP  10          3HB       ASP  10   1.916  12.173 -28.838
  144    H    ARG  11           HN       ARG  11   0.170  10.282 -29.587
  145    HA   ARG  11           HA       ARG  11  -0.688  11.664 -32.000
  146   1HB   ARG  11          2HB       ARG  11  -1.354   9.085 -31.007
  147   2HB   ARG  11          3HB       ARG  11  -2.772  10.063 -30.686
  148   1HG   ARG  11          2HG       ARG  11  -3.349  10.055 -32.880
  149   2HG   ARG  11          3HG       ARG  11  -1.784  10.695 -33.343
  150   1HD   ARG  11          2HD       ARG  11  -0.927   8.609 -33.866
  151   2HD   ARG  11          3HD       ARG  11  -1.785   7.807 -32.565
  152    HE   ARG  11           HE       ARG  11  -3.736   8.669 -34.443
  153   1HH1  ARG  11          2HH2      ARG  11  -1.045   6.408 -34.287
  154   2HH1  ARG  11          1HH2      ARG  11  -1.721   5.323 -35.456
  155   1HH2  ARG  11          2HH1      ARG  11  -4.629   7.240 -35.984
  156   2HH2  ARG  11          1HH1      ARG  11  -3.774   5.800 -36.428
  157    H    GLN  12           HN       GLN  12  -2.987  12.710 -31.721
  158    HA   GLN  12           HA       GLN  12  -3.843  13.329 -29.136
  159   1HB   GLN  12          2HB       GLN  12  -1.624  14.788 -29.678
  160   2HB   GLN  12          3HB       GLN  12  -2.812  15.832 -30.433
  161   1HG   GLN  12          2HG       GLN  12  -3.182  16.681 -28.354
  162   2HG   GLN  12          3HG       GLN  12  -4.051  15.197 -28.019
  163   1HE2  GLN  12          1HE2      GLN  12  -2.452  16.966 -26.297
  164   2HE2  GLN  12          2HE2      GLN  12  -1.242  15.980 -25.545
  165    H    GLY  13           HN       GLY  13  -5.744  14.846 -29.189
  166   1HA   GLY  13          1HA       GLY  13  -6.803  16.093 -31.371
  167   2HA   GLY  13          2HA       GLY  13  -7.268  14.417 -31.586
  168    H    GLY  14           HN       GLY  14  -9.524  14.942 -31.268
  169   1HA   GLY  14          1HA       GLY  14 -11.068  14.386 -29.463
  170   2HA   GLY  14          2HA       GLY  14 -10.187  15.500 -28.437
  171    H    GLU  15           HN       GLU  15 -11.306  17.366 -28.100
  172    HA   GLU  15           HA       GLU  15 -12.425  19.188 -28.484
  173   1HB   GLU  15          2HB       GLU  15 -11.244  18.647 -31.119
  174   2HB   GLU  15          3HB       GLU  15 -12.760  19.514 -31.260
  175   1HG   GLU  15          2HG       GLU  15 -11.584  20.881 -29.171
  176   2HG   GLU  15          3HG       GLU  15 -10.167  20.408 -30.087
  177    H    ARG  16           HN       ARG  16 -14.620  19.991 -29.164
  178    HA   ARG  16           HA       ARG  16 -16.756  19.693 -29.297
  179   1HB   ARG  16          2HB       ARG  16 -15.733  17.907 -31.501
  180   2HB   ARG  16          3HB       ARG  16 -17.436  17.789 -31.106
  181   1HG   ARG  16          2HG       ARG  16 -17.610  19.528 -32.606
  182   2HG   ARG  16          3HG       ARG  16 -17.232  20.495 -31.194
  183   1HD   ARG  16          2HD       ARG  16 -14.739  20.214 -31.835
  184   2HD   ARG  16          3HD       ARG  16 -15.299  19.556 -33.360
  185    HE   ARG  16           HE       ARG  16 -15.301  22.345 -32.600
  186   1HH1  ARG  16          2HH2      ARG  16 -17.129  19.970 -34.444
  187   2HH1  ARG  16          1HH2      ARG  16 -17.814  21.144 -35.517
  188   1HH2  ARG  16          2HH1      ARG  16 -16.205  23.894 -34.017
  189   2HH2  ARG  16          1HH1      ARG  16 -17.285  23.390 -35.274
  190    H    ARG  17           HN       ARG  17 -16.888  18.840 -27.084
  191    HA   ARG  17           HA       ARG  17 -17.172  17.335 -25.525
  192   1HB   ARG  17          2HB       ARG  17 -19.352  17.390 -27.202
  193   2HB   ARG  17          3HB       ARG  17 -18.990  15.676 -27.237
  194   1HG   ARG  17          2HG       ARG  17 -19.282  15.439 -24.875
  195   2HG   ARG  17          3HG       ARG  17 -19.131  17.161 -24.590
  196   1HD   ARG  17          2HD       ARG  17 -21.333  16.715 -26.431
  197   2HD   ARG  17          3HD       ARG  17 -21.534  15.656 -25.049
  198    HE   ARG  17           HE       ARG  17 -20.874  18.072 -23.877
  199   1HH1  ARG  17          2HH2      ARG  17 -23.313  17.100 -26.221
  200   2HH1  ARG  17          1HH2      ARG  17 -24.446  18.319 -25.739
  201   1HH2  ARG  17          2HH1      ARG  17 -22.369  19.681 -23.241
  202   2HH2  ARG  17          1HH1      ARG  17 -23.904  19.797 -24.033
  203    H    ARG  18           HN       ARG  18 -14.795  16.662 -26.652
  204    HA   ARG  18           HA       ARG  18 -13.394  15.086 -27.170
  205   1HB   ARG  18          2HB       ARG  18 -15.262  13.483 -25.356
  206   2HB   ARG  18          3HB       ARG  18 -13.689  12.899 -25.861
  207   1HG   ARG  18          2HG       ARG  18 -12.718  14.068 -24.183
  208   2HG   ARG  18          3HG       ARG  18 -13.281  15.564 -24.902
  209   1HD   ARG  18          2HD       ARG  18 -15.595  14.904 -23.738
  210   2HD   ARG  18          3HD       ARG  18 -14.573  13.906 -22.722
  211    HE   ARG  18           HE       ARG  18 -13.654  15.844 -21.747
  212   1HH1  ARG  18          2HH2      ARG  18 -15.533  16.709 -24.593
  213   2HH1  ARG  18          1HH2      ARG  18 -15.483  18.410 -24.267
  214   1HH2  ARG  18          2HH1      ARG  18 -13.588  18.087 -21.315
  215   2HH2  ARG  18          1HH1      ARG  18 -14.369  19.199 -22.389
  216    H    SER  19           HN       SER  19 -14.776  15.350 -29.394
  217    HA   SER  19           HA       SER  19 -15.380  14.390 -31.244
  218   1HB   SER  19          2HB       SER  19 -13.520  12.808 -30.855
  219   2HB   SER  19          3HB       SER  19 -14.560  11.784 -29.887
  220    HG   SER  19           HG       SER  19 -14.370  12.025 -32.677
  221    H    GLN  20           HN       GLN  20 -16.294  11.707 -28.965
  222    HA   GLN  20           HA       GLN  20 -18.995  12.500 -28.926
  223   1HB   GLN  20          2HB       GLN  20 -18.598  11.400 -31.275
  224   2HB   GLN  20          3HB       GLN  20 -18.539   9.886 -30.394
  225   1HG   GLN  20          2HG       GLN  20 -20.791   9.994 -29.760
  226   2HG   GLN  20          3HG       GLN  20 -20.834  11.745 -29.801
  227   1HE2  GLN  20          1HE2      GLN  20 -20.711   8.821 -31.757
  228   2HE2  GLN  20          2HE2      GLN  20 -21.424   9.468 -33.197
  229    H    LEU  21           HN       LEU  21 -16.781  11.810 -27.102
  230    HA   LEU  21           HA       LEU  21 -17.370   9.193 -26.084
  231   1HB   LEU  21          2HB       LEU  21 -15.118  10.053 -26.022
  232   2HB   LEU  21          3HB       LEU  21 -15.626  11.449 -25.094
  233    HG   LEU  21           HG       LEU  21 -14.463   9.372 -23.956
  234   1HD1  LEU  21          1HD1      LEU  21 -14.884  10.532 -22.110
  235   2HD1  LEU  21          2HD1      LEU  21 -15.995  11.538 -23.071
  236   3HD1  LEU  21          3HD1      LEU  21 -16.617  10.131 -22.176
  237   1HD2  LEU  21          1HD2      LEU  21 -17.375   8.540 -24.014
  238   2HD2  LEU  21          2HD2      LEU  21 -15.983   7.660 -24.689
  239   3HD2  LEU  21          3HD2      LEU  21 -16.145   7.853 -22.927
  240    H    ASP  22           HN       ASP  22 -19.279   8.813 -25.089
  241    HA   ASP  22           HA       ASP  22 -20.747  10.913 -23.943
  242   1HB   ASP  22          2HB       ASP  22 -20.985   7.927 -24.172
  243   2HB   ASP  22          3HB       ASP  22 -21.927   8.687 -22.906
  244    H    ARG  23           HN       ARG  23 -21.397  10.997 -21.579
  245    HA   ARG  23           HA       ARG  23 -19.154  10.816 -19.950
  246   1HB   ARG  23          2HB       ARG  23 -22.034  11.562 -19.645
  247   2HB   ARG  23          3HB       ARG  23 -21.255  11.038 -18.165
  248   1HG   ARG  23          2HG       ARG  23 -20.293  13.273 -20.012
  249   2HG   ARG  23          3HG       ARG  23 -21.023  13.481 -18.433
  250   1HD   ARG  23          2HD       ARG  23 -18.888  11.689 -17.967
  251   2HD   ARG  23          3HD       ARG  23 -18.235  12.836 -19.119
  252    HE   ARG  23           HE       ARG  23 -19.656  14.289 -17.100
  253   1HH1  ARG  23          2HH2      ARG  23 -16.724  12.385 -17.498
  254   2HH1  ARG  23          1HH2      ARG  23 -15.867  13.203 -16.235
  255   1HH2  ARG  23          2HH1      ARG  23 -18.526  15.371 -15.433
  256   2HH2  ARG  23          1HH1      ARG  23 -16.900  14.913 -15.053
  257    H    ASP  24           HN       ASP  24 -21.232   8.396 -21.091
  258    HA   ASP  24           HA       ASP  24 -20.561   6.731 -18.796
  259   1HB   ASP  24          2HB       ASP  24 -23.148   7.425 -19.655
  260   2HB   ASP  24          3HB       ASP  24 -22.901   5.841 -20.364
  261    H    GLN  25           HN       GLN  25 -19.197   7.297 -21.440
  262    HA   GLN  25           HA       GLN  25 -19.567   4.702 -22.712
  263   1HB   GLN  25          2HB       GLN  25 -19.101   7.418 -23.739
  264   2HB   GLN  25          3HB       GLN  25 -17.961   6.265 -24.403
  265   1HG   GLN  25          2HG       GLN  25 -19.827   4.785 -25.108
  266   2HG   GLN  25          3HG       GLN  25 -20.991   5.872 -24.379
  267   1HE2  GLN  25          1HE2      GLN  25 -21.883   5.848 -26.555
  268   2HE2  GLN  25          2HE2      GLN  25 -21.296   6.963 -27.743
  269    H    CYS  26           HN       CYS  26 -17.274   4.140 -23.957
  270    HA   CYS  26           HA       CYS  26 -15.305   4.215 -21.793
  271   1HB   CYS  26          2HB       CYS  26 -16.085   1.958 -22.290
  272   2HB   CYS  26          3HB       CYS  26 -15.708   2.159 -23.990
  273    H    ALA  27           HN       ALA  27 -13.251   5.062 -22.250
  274    HA   ALA  27           HA       ALA  27 -12.950   6.176 -24.946
  275   1HB   ALA  27          1HB       ALA  27 -12.961   7.854 -23.202
  276   2HB   ALA  27          2HB       ALA  27 -11.768   6.939 -22.248
  277   3HB   ALA  27          3HB       ALA  27 -11.289   7.684 -23.792
  278    H    TYR  28           HN       TYR  28 -12.520   3.367 -24.511
  279    HA   TYR  28           HA       TYR  28  -9.629   3.295 -25.004
  280   1HB   TYR  28          2HB       TYR  28 -10.737   2.478 -22.652
  281   2HB   TYR  28          3HB       TYR  28 -11.165   1.066 -23.597
  282    HD1  TYR  28           HD1      TYR  28  -8.150   3.213 -22.940
  283    HD2  TYR  28           HD2      TYR  28  -9.697  -0.728 -23.561
  284    HE1  TYR  28           HE1      TYR  28  -5.838   2.234 -22.535
  285    HE2  TYR  28           HE2      TYR  28  -7.380  -1.694 -23.155
  286    HH   TYR  28           HH       TYR  28  -5.322  -1.283 -22.668
  287    H    CYS  29           HN       CYS  29 -12.666   1.288 -25.042
  288    HA   CYS  29           HA       CYS  29 -11.682   0.073 -27.497
  289   1HB   CYS  29          2HB       CYS  29 -13.458  -1.599 -27.147
  290   2HB   CYS  29          3HB       CYS  29 -12.376  -1.492 -25.773
  291    H    LYS  30           HN       LYS  30 -14.066   2.300 -26.124
  292    HA   LYS  30           HA       LYS  30 -15.205   3.875 -27.285
  293   1HB   LYS  30          2HB       LYS  30 -13.766   2.957 -29.357
  294   2HB   LYS  30          3HB       LYS  30 -15.333   2.340 -29.840
  295   1HG   LYS  30          2HG       LYS  30 -15.310   4.499 -30.797
  296   2HG   LYS  30          3HG       LYS  30 -16.231   4.741 -29.325
  297   1HD   LYS  30          2HD       LYS  30 -14.375   5.752 -28.189
  298   2HD   LYS  30          3HD       LYS  30 -13.217   5.152 -29.360
  299   1HE   LYS  30          2HE       LYS  30 -15.410   6.955 -30.373
  300   2HE   LYS  30          3HE       LYS  30 -14.132   7.691 -29.426
  301   1HZ   LYS  30          1HZ       LYS  30 -13.524   7.696 -31.700
  302   2HZ   LYS  30          2HZ       LYS  30 -12.546   6.629 -30.943
  303   3HZ   LYS  30          3HZ       LYS  30 -13.784   6.092 -31.864
  304    H    GLU  31           HN       GLU  31 -16.020   1.472 -25.747
  305    HA   GLU  31           HA       GLU  31 -18.583   0.956 -27.028
  306   1HB   GLU  31          2HB       GLU  31 -17.010  -0.556 -24.909
  307   2HB   GLU  31          3HB       GLU  31 -18.694  -0.911 -25.238
  308   1HG   GLU  31          2HG       GLU  31 -17.750  -0.940 -27.794
  309   2HG   GLU  31          3HG       GLU  31 -16.278  -1.389 -26.956
  310    H    LYS  32           HN       LYS  32 -20.563   1.232 -25.829
  311    HA   LYS  32           HA       LYS  32 -20.239   3.110 -23.608
  312   1HB   LYS  32          2HB       LYS  32 -22.395   3.953 -24.157
  313   2HB   LYS  32          3HB       LYS  32 -21.494   3.828 -25.653
  314   1HG   LYS  32          2HG       LYS  32 -23.087   2.472 -26.521
  315   2HG   LYS  32          3HG       LYS  32 -22.805   1.302 -25.248
  316   1HD   LYS  32          2HD       LYS  32 -24.672   1.931 -24.083
  317   2HD   LYS  32          3HD       LYS  32 -24.360   3.640 -24.318
  318   1HE   LYS  32          2HE       LYS  32 -26.075   3.646 -25.810
  319   2HE   LYS  32          3HE       LYS  32 -25.032   2.751 -26.898
  320   1HZ   LYS  32          1HZ       LYS  32 -27.066   1.581 -26.537
  321   2HZ   LYS  32          2HZ       LYS  32 -25.849   0.716 -25.878
  322   3HZ   LYS  32          3HZ       LYS  32 -26.855   1.571 -24.918
  323    H    GLY  33           HN       GLY  33 -21.116   2.708 -21.580
  324   1HA   GLY  33          1HA       GLY  33 -22.885   1.393 -20.415
  325   2HA   GLY  33          2HA       GLY  33 -22.223  -0.014 -21.224
  326    H    HIS  34           HN       HIS  34 -19.409   1.352 -20.964
  327    HA   HIS  34           HA       HIS  34 -19.048   1.091 -18.096
  328   1HB   HIS  34          2HB       HIS  34 -17.312  -0.551 -18.272
  329   2HB   HIS  34          3HB       HIS  34 -18.759  -1.180 -19.034
  330    HD1  HIS  34           HD1      HIS  34 -18.671  -1.691 -21.561
  331    HD2  HIS  34           HD2      HIS  34 -15.174   0.091 -20.077
  332    HE1  HIS  34           HE1      HIS  34 -16.922  -1.899 -23.409
  333    H    TRP  35           HN       TRP  35 -16.741   1.770 -17.473
  334    HA   TRP  35           HA       TRP  35 -16.028   4.027 -19.190
  335   1HB   TRP  35          2HB       TRP  35 -15.899   3.458 -16.282
  336   2HB   TRP  35          3HB       TRP  35 -14.585   4.404 -16.952
  337    HD1  TRP  35           HD1      TRP  35 -18.433   4.625 -17.673
  338    HE1  TRP  35           HE1      TRP  35 -19.279   7.107 -17.379
  339    HE3  TRP  35           HE3      TRP  35 -13.949   6.539 -16.227
  340    HZ2  TRP  35           HZ2      TRP  35 -18.007   9.537 -16.593
  341    HZ3  TRP  35           HZ3      TRP  35 -13.838   8.976 -15.715
  342    HH2  TRP  35           HH2      TRP  35 -15.772  10.461 -15.878
  343    H    ALA  36           HN       ALA  36 -13.599   4.463 -19.369
  344    HA   ALA  36           HA       ALA  36 -12.333   2.253 -20.486
  345   1HB   ALA  36          1HB       ALA  36 -11.374   4.973 -19.537
  346   2HB   ALA  36          2HB       ALA  36 -10.300   3.810 -20.351
  347   3HB   ALA  36          3HB       ALA  36 -11.729   4.446 -21.200
  348    H    LYS  37           HN       LYS  37 -12.262   3.666 -17.191
  349    HA   LYS  37           HA       LYS  37 -10.069   2.139 -16.298
  350   1HB   LYS  37          2HB       LYS  37 -12.311   3.523 -14.800
  351   2HB   LYS  37          3HB       LYS  37 -10.906   2.809 -14.036
  352   1HG   LYS  37          2HG       LYS  37  -9.398   4.345 -15.131
  353   2HG   LYS  37          3HG       LYS  37 -10.631   4.871 -16.259
  354   1HD   LYS  37          2HD       LYS  37 -11.918   5.559 -14.000
  355   2HD   LYS  37          3HD       LYS  37 -10.293   5.583 -13.346
  356   1HE   LYS  37          2HE       LYS  37  -9.761   7.009 -15.547
  357   2HE   LYS  37          3HE       LYS  37 -11.487   7.313 -15.520
  358   1HZ   LYS  37          1HZ       LYS  37 -10.612   7.660 -12.949
  359   2HZ   LYS  37          2HZ       LYS  37  -9.499   8.405 -13.882
  360   3HZ   LYS  37          3HZ       LYS  37 -11.073   8.825 -13.996
  361    H    ASP  38           HN       ASP  38 -13.208   1.246 -17.270
  362    HA   ASP  38           HA       ASP  38 -12.923  -1.211 -15.729
  363   1HB   ASP  38          2HB       ASP  38 -14.971   0.582 -15.377
  364   2HB   ASP  38          3HB       ASP  38 -15.653  -0.401 -16.658
  365    H    CYS  39           HN       CYS  39 -12.006  -0.339 -18.488
  366    HA   CYS  39           HA       CYS  39 -13.785  -1.376 -20.401
  367   1HB   CYS  39          2HB       CYS  39 -11.977   0.272 -20.888
  368   2HB   CYS  39          3HB       CYS  39 -10.781  -0.983 -20.625
  369    HA   PRO  40           HA       PRO  40 -12.889  -5.597 -19.641
  370   1HB   PRO  40          2HB       PRO  40 -14.373  -6.692 -21.658
  371   2HB   PRO  40          3HB       PRO  40 -15.055  -6.220 -20.114
  372   1HG   PRO  40          2HG       PRO  40 -15.275  -4.861 -22.730
  373   2HG   PRO  40          3HG       PRO  40 -16.269  -4.660 -21.301
  374   1HD   PRO  40          2HD       PRO  40 -14.215  -2.884 -22.228
  375   2HD   PRO  40          3HD       PRO  40 -15.129  -2.743 -20.739
  376    H    LYS  41           HN       LYS  41 -11.648  -3.741 -21.992
  377    HA   LYS  41           HA       LYS  41 -10.338  -6.004 -23.299
  378   1HB   LYS  41          2HB       LYS  41 -11.493  -4.235 -24.665
  379   2HB   LYS  41          3HB       LYS  41 -10.311  -3.078 -24.087
  380   1HG   LYS  41          2HG       LYS  41  -8.558  -4.919 -24.917
  381   2HG   LYS  41          3HG       LYS  41  -9.901  -5.462 -25.903
  382   1HD   LYS  41          2HD       LYS  41  -9.781  -3.645 -27.294
  383   2HD   LYS  41          3HD       LYS  41  -9.542  -2.523 -25.969
  384   1HE   LYS  41          2HE       LYS  41  -7.493  -2.444 -27.187
  385   2HE   LYS  41          3HE       LYS  41  -7.131  -3.446 -25.797
  386   1HZ   LYS  41          1HZ       LYS  41  -8.148  -4.883 -28.053
  387   2HZ   LYS  41          2HZ       LYS  41  -6.703  -4.166 -28.315
  388   3HZ   LYS  41          3HZ       LYS  41  -6.878  -5.226 -27.084
  389    H    LYS  42           HN       LYS  42  -9.931  -3.577 -20.852
  390    HA   LYS  42           HA       LYS  42  -7.288  -2.934 -21.004
  391   1HB   LYS  42          2HB       LYS  42  -9.236  -3.288 -18.760
  392   2HB   LYS  42          3HB       LYS  42  -7.546  -3.065 -18.360
  393   1HG   LYS  42          2HG       LYS  42  -8.785  -1.214 -20.401
  394   2HG   LYS  42          3HG       LYS  42  -9.186  -0.970 -18.711
  395   1HD   LYS  42          2HD       LYS  42  -6.422  -1.310 -18.607
  396   2HD   LYS  42          3HD       LYS  42  -6.628  -0.474 -20.133
  397   1HE   LYS  42          2HE       LYS  42  -8.028   0.514 -17.620
  398   2HE   LYS  42          3HE       LYS  42  -6.365   0.955 -17.950
  399   1HZ   LYS  42          1HZ       LYS  42  -7.620   2.605 -18.926
  400   2HZ   LYS  42          2HZ       LYS  42  -7.248   1.653 -20.200
  401   3HZ   LYS  42          3HZ       LYS  42  -8.737   1.582 -19.535
  402    HA   PRO  43           HA       PRO  43  -5.615  -6.996 -20.714
  403   1HB   PRO  43          2HB       PRO  43  -3.168  -6.395 -21.773
  404   2HB   PRO  43          3HB       PRO  43  -4.546  -6.863 -22.749
  405   1HG   PRO  43          2HG       PRO  43  -3.362  -4.179 -22.379
  406   2HG   PRO  43          3HG       PRO  43  -4.438  -4.740 -23.644
  407   1HD   PRO  43          2HD       PRO  43  -5.141  -3.106 -21.393
  408   2HD   PRO  43          3HD       PRO  43  -6.235  -3.763 -22.594
  409    H    ARG  44           HN       ARG  44  -3.302  -7.852 -19.929
  410    HA   ARG  44           HA       ARG  44  -3.288  -7.061 -17.264
  411   1HB   ARG  44          2HB       ARG  44  -2.563  -9.319 -18.162
  412   2HB   ARG  44          3HB       ARG  44  -1.119  -8.568 -18.813
  413   1HG   ARG  44          2HG       ARG  44  -0.273  -9.284 -16.774
  414   2HG   ARG  44          3HG       ARG  44  -0.827  -7.690 -16.300
  415   1HD   ARG  44          2HD       ARG  44  -2.204  -8.641 -14.767
  416   2HD   ARG  44          3HD       ARG  44  -3.098  -9.413 -16.062
  417    HE   ARG  44           HE       ARG  44  -0.908 -11.063 -15.799
  418   1HH1  ARG  44          2HH2      ARG  44  -3.232  -9.786 -13.488
  419   2HH1  ARG  44          1HH2      ARG  44  -3.111 -11.145 -12.421
  420   1HH2  ARG  44          2HH1      ARG  44  -0.747 -12.857 -14.393
  421   2HH2  ARG  44          1HH1      ARG  44  -1.687 -12.904 -12.939
  422    H    GLY  45           HN       GLY  45  -2.806  -4.847 -16.954
  423   1HA   GLY  45          1HA       GLY  45  -0.038  -4.075 -17.600
  424   2HA   GLY  45          2HA       GLY  45  -1.366  -3.039 -18.085
  425    HA   PRO  46           HA       PRO  46  -0.054  -1.556 -17.734
  426   1HB   PRO  46          2HB       PRO  46   1.861   0.118 -16.734
  427   2HB   PRO  46          3HB       PRO  46   0.196   0.605 -16.980
  428   1HG   PRO  46          2HG       PRO  46   1.584  -0.035 -14.451
  429   2HG   PRO  46          3HG       PRO  46   0.088   0.845 -14.688
  430   1HD   PRO  46          2HD       PRO  46   0.360  -1.866 -13.791
  431   2HD   PRO  46          3HD       PRO  46  -1.135  -1.023 -14.140
  432    H    ARG  47           HN       ARG  47   2.363  -2.136 -15.213
  433    HA   ARG  47           HA       ARG  47   4.113  -3.408 -15.192
  434   1HB   ARG  47          2HB       ARG  47   2.411  -4.779 -17.156
  435   2HB   ARG  47          3HB       ARG  47   4.106  -5.016 -17.534
  436   1HG   ARG  47          2HG       ARG  47   3.589  -5.290 -14.647
  437   2HG   ARG  47          3HG       ARG  47   2.616  -6.405 -15.587
  438   1HD   ARG  47          2HD       ARG  47   5.506  -6.165 -16.375
  439   2HD   ARG  47          3HD       ARG  47   5.178  -6.948 -14.842
  440    HE   ARG  47           HE       ARG  47   4.597  -8.013 -17.488
  441   1HH1  ARG  47          2HH2      ARG  47   3.567  -8.074 -14.124
  442   2HH1  ARG  47          1HH2      ARG  47   2.837  -9.641 -14.242
  443   1HH2  ARG  47          2HH1      ARG  47   3.634 -10.079 -17.646
  444   2HH2  ARG  47          1HH1      ARG  47   2.875 -10.788 -16.260
  445    H    GLY  48           HN       GLY  48   6.290  -3.728 -16.298
  446   1HA   GLY  48          1HA       GLY  48   6.850  -1.452 -18.002
  447   2HA   GLY  48          2HA       GLY  48   7.998  -2.543 -17.255
  448    HA   PRO  49           HA       PRO  49   7.152  -3.690 -21.703
  449   1HB   PRO  49          2HB       PRO  49   9.010  -2.240 -23.087
  450   2HB   PRO  49          3HB       PRO  49   7.330  -1.763 -22.951
  451   1HG   PRO  49          2HG       PRO  49   9.694  -0.640 -21.576
  452   2HG   PRO  49          3HG       PRO  49   8.107   0.070 -21.785
  453   1HD   PRO  49          2HD       PRO  49   9.145  -1.134 -19.399
  454   2HD   PRO  49          3HD       PRO  49   7.520  -0.528 -19.645
  455    H    ARG  50           HN       ARG  50   7.958  -5.545 -20.393
  456    HA   ARG  50           HA       ARG  50  10.465  -6.095 -19.871
  457   1HB   ARG  50          2HB       ARG  50   8.228  -7.594 -19.942
  458   2HB   ARG  50          3HB       ARG  50   8.966  -8.234 -21.397
  459   1HG   ARG  50          2HG       ARG  50  10.120  -9.633 -20.020
  460   2HG   ARG  50          3HG       ARG  50  11.108  -8.243 -19.617
  461   1HD   ARG  50          2HD       ARG  50  10.079  -7.926 -17.555
  462   2HD   ARG  50          3HD       ARG  50   8.520  -8.494 -18.118
  463    HE   ARG  50           HE       ARG  50   9.104 -10.663 -17.466
  464   1HH1  ARG  50          2HH2      ARG  50  12.026  -8.719 -17.722
  465   2HH1  ARG  50          1HH2      ARG  50  13.055  -9.947 -17.064
  466   1HH2  ARG  50          2HH1      ARG  50  10.460 -12.284 -16.596
  467   2HH2  ARG  50          1HH1      ARG  50  12.158 -11.988 -16.419
  468    HA   PRO  51           HA       PRO  51  12.219  -5.670 -23.952
  469   1HB   PRO  51          2HB       PRO  51  14.744  -5.009 -23.144
  470   2HB   PRO  51          3HB       PRO  51  13.485  -3.822 -23.418
  471   1HG   PRO  51          2HG       PRO  51  14.557  -4.829 -20.853
  472   2HG   PRO  51          3HG       PRO  51  13.628  -3.374 -21.160
  473   1HD   PRO  51          2HD       PRO  51  12.662  -5.815 -20.003
  474   2HD   PRO  51          3HD       PRO  51  11.711  -4.402 -20.416
  475    H    GLN  52           HN       GLN  52  11.591  -8.096 -23.634
  476    HA   GLN  52           HA       GLN  52  14.129  -9.435 -24.028
  477   1HB   GLN  52          2HB       GLN  52  12.673  -9.719 -21.649
  478   2HB   GLN  52          3HB       GLN  52  12.202 -11.126 -22.581
  479   1HG   GLN  52          2HG       GLN  52  14.988 -10.947 -22.988
  480   2HG   GLN  52          3HG       GLN  52  14.780 -10.520 -21.301
  481   1HE2  GLN  52          1HE2      GLN  52  14.519 -12.974 -23.718
  482   2HE2  GLN  52          2HE2      GLN  52  14.175 -14.324 -22.690
  483    H    THR  53           HN       THR  53  13.824 -11.617 -25.132
  484    HA   THR  53           HA       THR  53  11.385 -11.546 -26.785
  485    HB   THR  53           HB       THR  53  13.623 -10.922 -27.892
  486    HG1  THR  53           HG1      THR  53  12.248 -13.419 -28.605
  487   1HG2  THR  53          1HG2      THR  53  14.298 -13.774 -28.236
  488   2HG2  THR  53          2HG2      THR  53  15.378 -12.398 -27.911
  489   3HG2  THR  53          3HG2      THR  53  14.561 -13.225 -26.563
  490    H    SER  54           HN       SER  54  10.240 -13.424 -27.130
  491    HA   SER  54           HA       SER  54   9.483 -15.412 -26.711
  492   1HB   SER  54          2HB       SER  54  12.270 -15.815 -27.215
  493   2HB   SER  54          3HB       SER  54  11.846 -16.883 -25.892
  494    HG   SER  54           HG       SER  54  10.076 -17.709 -27.212
  495    H    LEU  55           HN       LEU  55   9.129 -17.108 -24.923
  496    HA   LEU  55           HA       LEU  55   8.579 -17.506 -22.819
  497   1HB   LEU  55          2HB       LEU  55  11.432 -17.008 -22.877
  498   2HB   LEU  55          3HB       LEU  55  10.756 -16.605 -21.310
  499    HG   LEU  55           HG       LEU  55   9.587 -19.050 -21.832
  500   1HD1  LEU  55          1HD1      LEU  55  10.756 -19.767 -23.674
  501   2HD1  LEU  55          2HD1      LEU  55  12.247 -18.916 -23.202
  502   3HD1  LEU  55          3HD1      LEU  55  11.772 -20.412 -22.361
  503   1HD2  LEU  55          1HD2      LEU  55  12.206 -19.103 -20.432
  504   2HD2  LEU  55          2HD2      LEU  55  10.998 -17.942 -19.832
  505   3HD2  LEU  55          3HD2      LEU  55  10.603 -19.676 -19.909
  506    H    LEU  56           HN       LEU  56   6.822 -16.231 -22.354
  507    HA   LEU  56           HA       LEU  56   7.318 -13.986 -20.651
  508   1HB   LEU  56          2HB       LEU  56   6.110 -12.350 -21.983
  509   2HB   LEU  56          3HB       LEU  56   7.595 -12.869 -22.757
  510    HG   LEU  56           HG       LEU  56   5.960 -14.547 -24.012
  511   1HD1  LEU  56          1HD1      LEU  56   3.803 -13.358 -24.524
  512   2HD1  LEU  56          2HD1      LEU  56   3.927 -14.042 -22.886
  513   3HD1  LEU  56          3HD1      LEU  56   4.142 -12.293 -23.138
  514   1HD2  LEU  56          1HD2      LEU  56   6.219 -13.236 -25.867
  515   2HD2  LEU  56          2HD2      LEU  56   5.820 -11.731 -25.003
  516   3HD2  LEU  56          3HD2      LEU  56   7.419 -12.483 -24.789