*HEADER    PROTEIN TRANSPORT                       10-JUN-04   1TM6              
*TITLE     NMR STRUCTURE OF THE FREE ZINC BINDING C-TERMINAL DOMAIN OF           
*TITLE    2 SECA                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PREPROTEIN TRANSLOCASE SECA SUBUNIT;                       
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    ZINC FINGER, BETA HAIRPIN, SECA                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.M.MATOUSEK, A.T.ALEXANDRESCU                                        
*REVDAT   1   12-OCT-04 1TM6    0                                                

restraints dihedral reset
!set message=off echo=off end

!  D4
assign (resid   3 and name    C)    (resid   4 and name    N)
       (resid   4 and name   CA)    (resid   4 and name    C)     1.0   -95.0    70.0   2
assign (resid   4 and name    N)    (resid   4 and name    CA)
       (resid   4 and name   C)     (resid   5 and name    N)     1.0   122.0    70.0   2
!  y14
assign (resid   13 and name    C)    (resid   14 and name    N)
       (resid   14 and name   CA)    (resid   14 and name    C)     1.0   -69.0    35.0   2
assign (resid   14 and name    N)    (resid   14 and name    CA)
       (resid   14 and name   C)     (resid   15 and name    N)     1.0   -40.0    35.0   2
!  k15
assign (resid   14 and name    C)    (resid   15 and name    N)
       (resid   15 and name   CA)    (resid   15 and name    C)     1.0   -66.0    35.0   2
assign (resid   15 and name    N)    (resid   15 and name    CA)
       (resid   15 and name   C)     (resid   16 and name    N)     1.0   -41.0    35.0   2
!  q16
assign (resid   15 and name    C)    (resid   16 and name    N)
       (resid   16 and name   CA)    (resid   16 and name    C)     1.0   -68.0    35.0   2
assign (resid   16 and name    N)    (resid   16 and name    CA)
       (resid   16 and name   C)     (resid   17 and name    N)     1.0   -40.0    35.0   2
!  c17
assign (resid   16 and name    C)    (resid   17 and name    N)
       (resid   17 and name   CA)    (resid   17 and name    C)     1.0   -71.0    35.0   2
assign (resid   17 and name    N)    (resid   17 and name    CA)
       (resid   17 and name   C)     (resid   18 and name    N)     1.0   -36.0    35.0   2
!  h18
assign (resid   17 and name    C)    (resid   18 and name    N)
       (resid   18 and name   CA)    (resid   18 and name    C)     1.0   -74.0    35.0   2
assign (resid   18 and name    N)    (resid   18 and name    CA)
       (resid   18 and name   C)     (resid   19 and name    N)     1.0   -26.0    35.0   2
!!
!Chi angles

! N3  -60.0 (B2=2.52 B3=2.79)
assign (resid    3 and name    N)    (resid    3 and name    CA)
       (resid    3 and name   CB)    (resid    3 and name    CG)    1.0   -60.0    40.0   2
! D4  -60.0 (B2=2.69 B3=2.97)
assign (resid    4 and name    N)    (resid    4 and name    CA)
       (resid    4 and name   CB)    (resid    4 and name    CG)    1.0   -60.0    40.0   2
! C6   60.0 (B2=2.43 B3=3.29)
assign (resid    6 and name    N)    (resid    6 and name    CA)
       (resid    6 and name   CB)    (resid    6 and name    SG)    1.0    60.0    40.0   2
! C8  180.0 (B2=3.24 B3=2.86)
assign (resid    8 and name    N)    (resid    8 and name    CA)
       (resid    8 and name   CB)    (resid    8 and name    SG)    1.0   -60.0    40.0   2
! S10  60.0 (B2=3.94 B3=4.22)
assign (resid   10 and name    N)    (resid   10 and name    CA)
       (resid   10 and name   CB)    (resid   10 and name    OG)    1.0    60.0    40.0   2
! K12 -60.0 (B2=1.53 B3=1.84)
assign (resid   12 and name    N)    (resid   12 and name    CA)   
       (resid   12 and name   CB)    (resid   12 and name    CG)    1.0   -60.0    40.0   2
! Y14 180.0 (B2=3.25 B3=3.19)
assign (resid   14 and name    N)    (resid   14 and name    CA)
       (resid   14 and name   CB)    (resid   14 and name    CG)    1.0   180.0    40.0   2
! Q16 -60.0 (B2=1.98 B3=2.34)
assign (resid   16 and name    N)    (resid   16 and name    CA)
       (resid   16 and name   CB)    (resid   16 and name    CG)    1.0   -60.0    40.0   2
! C17 180.0 (B2=2.53 B3=3.01)
assign (resid   17 and name    N)    (resid   17 and name    CA)
       (resid   17 and name   CB)    (resid   17 and name    SG)    1.0   180.0    40.0   2
! H18 -60.0 (B2=3.10 B3=3.44)
assign (resid   18 and name    N)    (resid   18 and name    CA)
       (resid   18 and name   CB)    (resid   18 and name    CG)    1.0   -60.0    40.0   2


end

set message=on echo=on end

#
# The original sequence entered was:
# GRNDPCPCGSGKKYKQCHGRLQ
#
# NOTE: ALL CARBON SHIFTS ARE FROM D2O, and are uncorrected for deuterium 
#isotope effects. Except for Carbon shifts are from samples in H2O.


# Expressed in NMR-STAR, this sequence is:

_Mol_residue_sequence
;
GRNDPCPCGSGKKYKQCHGR
LQ
;

loop_
 _Residue_seq_code
 _Residue_author_seq_code
 _Residue_label

1   @   GLY 2   @   ARG 3   @   ASN 4   @   ASP 5   @   PRO
6   @   CYS 7   @   PRO 8   @   CYS 9   @   GLY 10   @   SER
11   @   GLY 12   @   LYS 13   @   LYS 14   @   TYR 15   @   LYS
16   @   GLN 17   @   CYS 18   @   HIS 19   @   GLY 20   @   ARG
21   @   LEU 22   @   GLN 

stop_

###################################################################
#      Chemical Shift Ambiguity Code Definitions                  #
#                                                                 #
#    Codes            Definition                                  #
#                                                                 #
#      1             Unique                                       #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups                           #
#      3             Aromatic atoms on opposite sides of the ring #
#                        (e.g. Tyr HE1 and HE2 protons)           #
#      4             Intraresidue ambiguities (e.g. Lys HG and    #
#                         HD protons)                             #
#      5             Interresidue ambiguities (Lys 12 vs. Lys 27) #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################


# INSTRUCTIONS
# 1) Replace the @-signs with appropriate values.
# 2) Text comments concerning the assignments can be
#    supplied in the full deposition.
# 3) Feel free to add or delete rows to the table as needed.
#    The row numbers (_Atom_shift_assign_ID values) will be
#    re-assigned to sequential values by BMRB


# The atom table chosen for this sequence is:

loop_
     _Atom_shift_assign_ID
     _Residue_seq_code
     _Residue_label
     _Atom_name
     _Atom_type
     _Chem_shift_value
     _Chem_shift_value_error
     _Chem_shift_ambiguity_code

#
#Atom Residue
#shift Seq Residue Atom Atom Shift/ Error/ Ambiguity
#assign code Label Name Type ppm ppm Code
#---------------------------------------------------------------
#

1  1 GLY HA2  H 3.96  0.05  2 
2  1 GLY HA3  H 3.90  0.05 2 
3  1 GLY CA  C 43.54  0.10  1 

4  2 ARG HA  H 4.14  0.05 1 
5  2 ARG HB2  H 2.09 0.05 2 
6  2 ARG HB3  H 1.93 0.05 2 
7  2 ARG HG2  H 2.27  0.05 2 
9  2 ARG CA  C 56.88  0.10 1 
10  2 ARG CB  C 30.32  0.10 1 
11  2 ARG N  N 125.19  0.10 1 
12  2 ARG NH  H 7.91  0.10 2 

14  3 ASN HA  H 4.87  0.05 1 
15  3 ASN HB2  H 2.52  0.05 1 
16  3 ASN HB3  H 2.79 0.05 1 
17  3 ASN CA  C 53.65  0.10 1 
18  3 ASN CB  C 40.29  0.10 1 
19  3 ASN N  N 120.13 0.10 1 
20  3 ASN HN H 7.69 0.10 1

21  4 ASP HA  H 4.97  0.05 1 
22  4 ASP HB2  H 2.69  0.05 1 
23  4 ASP HB3  H 2.97  0.05 1 
24  4 ASP CA  C 52.93  0.10 1 
25  4 ASP CB  C 39.30  0.10 1 
26  4 ASP N  N 115.64  0.10 1
27  4 ASP NH H 7.63 0.10 1
 
28  5 PRO HA  H 4.35  0.05 1 
29  5 PRO HB2  H 2.25 0.05 2 
30  5 PRO HB3  H 1.76  0.05 2 
31  5 PRO HG2  H 2.11 0.05 2 
32  5 PRO HG3  H 1.97  0.05 2 
33  5 PRO HD2  H 3.91  0.05 2 
34  5 PRO HD3  H 3.60  0.05 2 
35  5 PRO CA  C 63.30  0.10 1 
36  5 PRO CB  C 32.05  0.10 1 
37  5 PRO CG  C 28.11  0.10 1 
38  5 PRO CD  C 50.70  0.10 1 

39  6 CYS HA  H 4.45  0.05 1 
40  6 CYS HB2  H 2.43 0.05 1 
41  6 CYS HB3  H 3.29 0.05 1 
42  6 CYS CA  C 59.78  0.10 1 
43  6 CYS CB  C 30.03 0.10 1 
44  6 CYS N  N 115.64 0.10 1 
45  6 CYS NH H 7.61 0.10 1

46  7 PRO HA  H 4.45  0.05 1 
47  7 PRO HB2  H 1.92  0.05 2 
48  7 PRO HB3  H 2.33  0.05 2 
49  7 PRO HG2  H 2.42  0.05 2 
51  7 PRO HD2  H 4.47  0.05 2 
52  7 PRO HD3  H 4.07 0.05 2 
53  7 PRO CA  C 64.80  0.10 1 
54  7 PRO CB  C 32.47 0.10 1 
55  7 PRO CG  C 29.86 0.10 1 
56  7 PRO CD  C 53.59 0.10 1 

57  8 CYS HA  H 4.60  0.05 1 
58  8 CYS HB2  H 3.24  0.05 1 
59  8 CYS HB3  H 2.86  0.05 1 
60  8 CYS CA  C 59.61  0.10 1 
61  8 CYS CB  C 31.25 0.10 1 
62  8 CYS N  N 127.40  0.10 1 
63  8 CYS HN H 9.37 0.10 1

64  9 GLY HA2  H 3.92  0.05 2 
65  9 GLY HA3  H 4.34  0.05 2 
66  9 GLY CA  C 46.20  0.10 1 
67  9 GLY N  N 108.74  0.10 1
68  9 GLY HN N 7.88 0.10 1 

69  10 SER HA  H 4.18  0.05 1 
70  10 SER HB2  H 3.94  0.05 1 
71  10 SER HB3  H 4.22  0.05 1 
72  10 SER CA  C 61.92  0.10 1 
73  10 SER CB  C 63.57  0.10 1 
74  10 SER N  N 118.96  0.10 1 
75  10  SER HN H 8.90 0.10 1

76  11 GLY HA2  H 4.36  0.05 2 
77  11 GLY HA3  H 3.62  0.05 2 
78  11 GLY CA  C 45.19  0.10 1 
79  11 GLY N  N 111.50  0.10 1 
80  11 GLY HN H 9.46 0.10 1

81  12 LYS HA  H 4.46  0.05 1 
82  12 LYS HB2  H 1.53  0.05 1 
83  12 LYS HB3  H 1.84  0.05 1 
84  12 LYS HG2  H 1.98  0.05 2 
85  12 LYS HG3  H 1.94  0.05 2 
86  12 LYS HD2  H 1.41  0.05 2 
88  12 LYS HE2  H 3.02  0.05 2 
90  12 LYS CA  C 55.04  0.10 1 
91  12 LYS CB  C 35.02 0.10 1 
92  12 LYS CG  C 27.43  0.10 1 
93  12 LYS CE  C 42.22  0.10 1 
94  12 LYS N  N 119.61 0.10 1 
95  12  LYS HN H 7.87 0.10 1

96  13 LYS HA  H 4.24  0.05 1 
97  13 LYS HB2  H 1.58  0.05 2 
98  13 LYS HB3  H 2.01  0.05 2 
99  13 LYS HG2  H 1.69  0.05 2 
100  13 LYS HG3  H 1.41  0.05 2 
101  13 LYS CA  C 59.34  0.10 1 
102  13 LYS CB  C 33.49  0.10 1 
103  13 LYS CG  C 25.91  0.10 1 
104  13 LYS N  N 119.07  0.10 1
105  13 LYS HN  H 8.59 0.10 1
 
106  14 TYR HA  H 4.51  0.05 1 
107  14 TYR HB2  H 3.25  0.05 1 
108  14 TYR HB3  H 3.19  0.05 1 
109  14 TYR HD1  H 7.55  0.05 3 
111  14 TYR HE1  H 6.79  0.05 3 
113  14 TYR CA  C 62.49  0.10 1 
114  14 TYR CB  C 38.95  0.10 1 
115  14 TYR N  N 124.01  0.10 1 
116  14 TYR HN H 9.31 0.10 1

117  15 LYS HA  H 3.75  0.05 1 
118  15 LYS HB2  H 1.96  0.05 2 
119  15 LYS HB3  H 1.80 0.05 2 
120  15 LYS HG2  H 1.39 0.05 2 
121  15 LYS HG3  H 1.29 0.05 2 
122  15 LYS HE2  H 2.97  0.05 2 
124  15 LYS CA  C 58.34  0.10 1 
125  15 LYS CB  C 31.75  0.10 1 
126  15 LYS CG  C 24.94  0.10 1 
127  15 LYS CE  C 42.18  0.10 1 
128  15 LYS N  N 123.71  0.10 1 
129  15 LYS HN H 8.80 0.10 1

130  16 GLN HA  H 4.42  0.05 1 
131  16 GLN HB2  H 1.98  0.05 1 
132  16 GLN HB3  H 2.34  0.05 1 
133  16 GLN HG2  H 2.42  0.05 2 
134  16 GLN HG3  H 2.22  0.05 2 
135  16 GLN CA  C 59.78  0.10 1 
136  16 GLN CB  C 30.35 0.10 1 
137  16 GLN CG  C 34.64  0.10 1 
138  16 GLN N  N 114.96  0.10 1 
139  16 GLN HN H 7.50 0.10 1

140  17 CYS HA  H 4.50  0.05 1 
141  17 CYS HB2  H 2.53  0.05 1 
142  17 CYS HB3  H 3.01  0.05 1 
143  17 CYS CA  C 60.34  0.10 1 
144  17 CYS CB  C 29.88  0.10 1 
145  17 CYS N  N 126.14  0.10 1
146  17 CYS HN  H 7.78 0.10 1
 
147  18 HIS HA  H 4.23  0.05 1 
148  18 HIS HB2  H 3.10  0.05 1 
149  18 HIS HB3  H 3.44  0.05 1 
150  18 HIS HD1  H 7.34  0.05 1 
152  18 HIS HE1  H 7.98  0.05 1 
154  18 HIS CA  C 56.66  0.10 1 
155  18 HIS CB  C 26.69 0.10 1 
156  18  HIS HN N 8.85 0.10 1
157  18 HIS N  H 114.75  0.10 1 

158  19 GLY HA2  H 3.88  0.05 2 
159  19 GLY HA3  H 1.95  0.05 2 
160  19 GLY CA  C 44.67  0.10 1 
161  19 GLY N  N 108.74  0.10 1 
162  19 GLY HN H 7.90 0.10 1

163  20 ARG HA  H 4.16  0.05 1 
164  20 ARG HB2  H 1.64  0.05 2 
166  20 ARG HG2  H 1.55  0.05 2 
167  20 ARG HG3  H 1.47  0.05 2 
168  20 ARG HD2  H 3.10  0.05 2 
170  20 ARG CA  C 59.77  0.10 1 
171  20 ARG CB  C 30.98 0.10 1 
172  20 ARG CG  C 27.18  0.10 1 
173  20 ARG CD  C 43.62 0.10 1 
174  20 ARG N  N 119.06  0.10 1 
175  20 ARG NH  H 6.82  0.10 2 

177  21 LEU HA  H 4.37  0.05 1 
178  21 LEU HB2  H 1.63  0.05 2 
180  21 LEU HG  H 1.19  0.05 1 
181  21 LEU HD1  H 0.92  0.05 2 
182  21 LEU HD2  H 0.85  0.05 2 
183  21 LEU CA  C 55.19  0.10 1 
184  21 LEU CB  C 42.14 0.10 1 
185  21 LEU CD1  C 25.16  0.10 2 
186  21 LEU CD2  C 23.29  0.10 2 
187  21 LEU HN H 8.21 0.10 1

188  22 GLN HA  H 4.14  0.05 1 
189  22 GLN HB2  H 1.91  0.05 2 
190  22 GLN HB3  H 2.12  0.05 2 
191  22 GLN HG2  H 2.27  0.05 2 
193  22 GLN CA  C 57.14  0.10 1 
194  22 GLN CB  C 30.70  0.10 1 
195  22 GLN CG  C 34.36  0.10 1 
196  22 GLN N  N 125.01  0.10 1 
197  22 GLN HN H 7.76 0.10 1

stop_

# The following loop is used to define sets of Atom-shift assignment IDs that
# represent related ambiguous assignments taken from the above list of
# assigned chemical shifts.  Each element in the set should be separated by a
# comma, as shown in the example below, and is the assignment ID for a chemical
# shift assignment that has been given as ambiguity code of 4 or 5.  Each set
# indicates that the observed chemical shifts are related to the defined 
# atoms, but have not been assigned uniquely to a specific atom in the set.

loop_
  _Atom_shift_assign_ID_ambiguity   

#
#    Sets of Atom-shift Assignment Ambiguities
               #              
#    ------------------------------------------
# Example:    5,4,7
#
                @


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  -6.884  -5.244  -4.788
    2   2H    GLY   1          2HT       GLY   1  -5.698  -5.228  -3.572
    3   3H    GLY   1          3HT       GLY   1  -6.964  -6.359  -3.515
    4   1HA   GLY   1          2HA       GLY   1  -6.041  -7.725  -5.040
    5   2HA   GLY   1          1HA       GLY   1  -5.302  -6.379  -5.908
    6    H    ARG   2           H        ARG   2  -5.004  -6.755  -2.427
    7    HA   ARG   2           HA       ARG   2  -3.024  -6.886  -1.123
    8   1HB   ARG   2          2HB       ARG   2  -3.039  -9.100  -3.152
    9   2HB   ARG   2          1HB       ARG   2  -1.642  -8.936  -2.087
   10   1HG   ARG   2          2HG       ARG   2  -2.782  -9.782  -0.337
   11   2HG   ARG   2          1HG       ARG   2  -4.127  -8.672  -0.604
   12   1HD   ARG   2          2HD       ARG   2  -5.360 -10.387  -1.417
   13   2HD   ARG   2          1HD       ARG   2  -4.160 -10.628  -2.703
   14    HE   ARG   2           HE       ARG   2  -3.635 -11.745   0.014
   15   1HH1  ARG   2          1HH2      ARG   2  -5.526 -13.095  -2.131
   16   2HH1  ARG   2          2HH2      ARG   2  -4.441 -14.306  -2.728
   17   1HH2  ARG   2          1HH1      ARG   2  -1.628 -12.871  -1.293
   18   2HH2  ARG   2          2HH1      ARG   2  -2.232 -14.179  -2.253
   19    H    ASN   3           H        ASN   3  -2.884  -4.897  -3.247
   20    HA   ASN   3           HA       ASN   3  -0.195  -5.206  -4.454
   21   1HB   ASN   3          2HB       ASN   3  -1.767  -2.672  -4.603
   22   2HB   ASN   3          1HB       ASN   3  -0.869  -3.505  -5.867
   23   1HD2  ASN   3          1HD2      ASN   3  -4.011  -3.176  -4.380
   24   2HD2  ASN   3          2HD2      ASN   3  -4.821  -4.286  -5.377
   25    H    ASP   4           H        ASP   4   0.818  -5.214  -2.208
   26    HA   ASP   4           HA       ASP   4   1.031  -2.427  -1.136
   27   1HB   ASP   4          2HB       ASP   4   1.497  -5.156   0.091
   28   2HB   ASP   4          1HB       ASP   4   1.850  -3.643   0.920
   29    HA   PRO   5           HA       PRO   5   4.946  -3.600  -3.399
   30   1HB   PRO   5          2HB       PRO   5   5.188  -1.138  -4.604
   31   2HB   PRO   5          1HB       PRO   5   4.271  -2.482  -5.302
   32   1HG   PRO   5          2HG       PRO   5   3.265  -0.189  -3.668
   33   2HG   PRO   5          1HG       PRO   5   2.629  -0.827  -5.190
   34   1HD   PRO   5          2HD       PRO   5   1.478  -1.492  -2.902
   35   2HD   PRO   5          1HD       PRO   5   1.718  -2.717  -4.167
   36    H    CYS   6           H        CYS   6   5.518  -0.230  -3.216
   37    HA   CYS   6           HA       CYS   6   7.226   0.837  -1.949
   38   1HB   CYS   6          2HB       CYS   6   6.106   1.459   0.127
   39   2HB   CYS   6          1HB       CYS   6   4.898   1.219  -1.103
   40    HA   PRO   7           HA       PRO   7   9.559  -2.096   0.495
   41   1HB   PRO   7          2HB       PRO   7   9.950  -1.169   3.013
   42   2HB   PRO   7          1HB       PRO   7  10.627  -0.360   1.587
   43   1HG   PRO   7          2HG       PRO   7   8.495   0.491   3.340
   44   2HG   PRO   7          1HG       PRO   7   9.393   1.417   2.137
   45   1HD   PRO   7          2HD       PRO   7   6.757   0.199   1.930
   46   2HD   PRO   7          1HD       PRO   7   7.570   1.335   0.829
   47    H    CYS   8           H        CYS   8   6.507  -2.283   0.837
   48    HA   CYS   8           HA       CYS   8   6.390  -3.740   3.399
   49   1HB   CYS   8          2HB       CYS   8   4.296  -2.744   1.464
   50   2HB   CYS   8          1HB       CYS   8   3.907  -3.697   2.888
   51    H    GLY   9           H        GLY   9   5.600  -4.188  -0.060
   52   1HA   GLY   9          2HA       GLY   9   5.340  -6.153  -1.325
   53   2HA   GLY   9          1HA       GLY   9   6.576  -6.827  -0.261
   54    H    SER  10           H        SER  10   3.060  -6.084  -0.242
   55    HA   SER  10           HA       SER  10   2.468  -8.767   0.723
   56   1HB   SER  10          2HB       SER  10   1.753  -8.004   2.920
   57   2HB   SER  10          1HB       SER  10   3.438  -7.573   2.670
   58    HG   SER  10           HG       SER  10   1.631  -5.955   3.413
   59    H    GLY  11           H        GLY  11   0.187  -7.077   2.219
   60   1HA   GLY  11          2HA       GLY  11  -1.382  -6.116  -0.062
   61   2HA   GLY  11          1HA       GLY  11  -2.000  -7.583   0.696
   62    H    LYS  12           H        LYS  12  -3.227  -4.887   0.646
   63    HA   LYS  12           HA       LYS  12  -4.463  -3.565   2.155
   64   1HB   LYS  12          2HB       LYS  12  -3.775  -6.056   3.559
   65   2HB   LYS  12          1HB       LYS  12  -4.144  -4.705   4.633
   66   1HG   LYS  12          2HG       LYS  12  -6.256  -4.322   3.371
   67   2HG   LYS  12          1HG       LYS  12  -5.894  -5.735   2.380
   68   1HD   LYS  12          2HD       LYS  12  -6.331  -5.707   5.381
   69   2HD   LYS  12          1HD       LYS  12  -7.421  -6.382   4.170
   70   1HE   LYS  12          2HE       LYS  12  -4.577  -7.343   4.662
   71   2HE   LYS  12          1HE       LYS  12  -6.046  -8.167   5.221
   72   1HZ   LYS  12          1HZ       LYS  12  -6.723  -7.812   2.723
   73   2HZ   LYS  12          2HZ       LYS  12  -5.801  -9.158   3.196
   74   3HZ   LYS  12          3HZ       LYS  12  -5.043  -7.811   2.491
   75    H    LYS  13           H        LYS  13  -1.596  -4.681   3.884
   76    HA   LYS  13           HA       LYS  13  -0.892  -2.713   5.569
   77   1HB   LYS  13          2HB       LYS  13   0.600  -4.507   5.228
   78   2HB   LYS  13          1HB       LYS  13   0.724  -4.169   3.502
   79   1HG   LYS  13          2HG       LYS  13   2.554  -2.930   3.907
   80   2HG   LYS  13          1HG       LYS  13   1.579  -1.822   4.864
   81   1HD   LYS  13          2HD       LYS  13   1.942  -4.011   6.548
   82   2HD   LYS  13          1HD       LYS  13   3.504  -3.825   5.751
   83   1HE   LYS  13          2HE       LYS  13   3.262  -1.296   6.310
   84   2HE   LYS  13          1HE       LYS  13   2.026  -1.829   7.468
   85   1HZ   LYS  13          1HZ       LYS  13   4.782  -2.928   7.286
   86   2HZ   LYS  13          2HZ       LYS  13   3.594  -3.383   8.413
   87   3HZ   LYS  13          3HZ       LYS  13   4.258  -1.820   8.457
   88    H    TYR  14           H        TYR  14   0.465  -2.442   2.363
   89    HA   TYR  14           HA       TYR  14   1.334   0.118   2.223
   90   1HB   TYR  14          2HB       TYR  14   1.161  -1.661   0.464
   91   2HB   TYR  14          1HB       TYR  14  -0.493  -1.131   0.176
   92    HD1  TYR  14           HD1      TYR  14   2.789  -0.767  -0.956
   93    HD2  TYR  14           HD2      TYR  14  -0.675   1.596  -0.011
   94    HE1  TYR  14           HE1      TYR  14   3.641   1.065  -2.384
   95    HE2  TYR  14           HE2      TYR  14   0.184   3.422  -1.439
   96    HH   TYR  14           HH       TYR  14   2.446   3.066  -3.713
   97    H    LYS  15           H        LYS  15  -2.126  -0.730   1.692
   98    HA   LYS  15           HA       LYS  15  -3.154   1.839   1.295
   99   1HB   LYS  15          2HB       LYS  15  -4.083  -0.769   2.034
  100   2HB   LYS  15          1HB       LYS  15  -4.886   0.412   3.069
  101   1HG   LYS  15          2HG       LYS  15  -4.792   1.434   0.385
  102   2HG   LYS  15          1HG       LYS  15  -5.470  -0.194   0.358
  103   1HD   LYS  15          2HD       LYS  15  -7.223   0.384   1.837
  104   2HD   LYS  15          1HD       LYS  15  -6.406   1.856   2.364
  105   1HE   LYS  15          2HE       LYS  15  -6.624   2.264  -0.362
  106   2HE   LYS  15          1HE       LYS  15  -8.143   1.434   0.030
  107   1HZ   LYS  15          1HZ       LYS  15  -7.046   3.915   1.204
  108   2HZ   LYS  15          2HZ       LYS  15  -8.187   2.978   2.047
  109   3HZ   LYS  15          3HZ       LYS  15  -8.583   3.651   0.538
  110    H    GLN  16           H        GLN  16  -2.478   0.188   4.377
  111    HA   GLN  16           HA       GLN  16  -3.165   2.522   6.007
  112   1HB   GLN  16          2HB       GLN  16  -1.533   0.114   6.832
  113   2HB   GLN  16          1HB       GLN  16  -2.643   1.067   7.814
  114   1HG   GLN  16          2HG       GLN  16  -4.070  -0.009   5.552
  115   2HG   GLN  16          1HG       GLN  16  -3.214  -1.310   6.379
  116   1HE2  GLN  16          1HE2      GLN  16  -4.617  -2.260   7.863
  117   2HE2  GLN  16          2HE2      GLN  16  -5.679  -1.409   8.880
  118    H    CYS  17           H        CYS  17  -0.328   1.304   4.390
  119    HA   CYS  17           HA       CYS  17   1.508   2.982   6.015
  120   1HB   CYS  17          2HB       CYS  17   2.259   0.762   5.542
  121   2HB   CYS  17          1HB       CYS  17   1.793   0.891   3.849
  122    H    HIS  18           H        HIS  18   1.160   2.429   2.489
  123    HA   HIS  18           HA       HIS  18   1.870   5.299   2.065
  124   1HB   HIS  18          2HB       HIS  18   2.153   2.748   0.488
  125   2HB   HIS  18          1HB       HIS  18   2.377   4.325  -0.272
  126    HD1  HIS  18           HD1      HIS  18   4.307   1.788   1.209
  127    HD2  HIS  18           HD2      HIS  18   4.315   5.932   1.595
  128    HE1  HIS  18           HE1      HIS  18   6.583   2.409   2.120
  129    H    GLY  19           H        GLY  19  -0.906   3.617   2.333
  130   1HA   GLY  19          2HA       GLY  19  -2.197   4.476  -0.167
  131   2HA   GLY  19          1HA       GLY  19  -2.984   3.638   1.168
  132    H    ARG  20           H        ARG  20  -2.151   5.426   3.248
  133    HA   ARG  20           HA       ARG  20  -4.216   7.436   3.029
  134   1HB   ARG  20          2HB       ARG  20  -3.361   6.277   5.099
  135   2HB   ARG  20          1HB       ARG  20  -1.884   7.231   4.958
  136   1HG   ARG  20          2HG       ARG  20  -3.867   9.146   4.735
  137   2HG   ARG  20          1HG       ARG  20  -4.533   8.033   5.931
  138   1HD   ARG  20          2HD       ARG  20  -2.145   8.151   7.009
  139   2HD   ARG  20          1HD       ARG  20  -1.998   9.653   6.073
  140    HE   ARG  20           HE       ARG  20  -3.497  10.618   7.612
  141   1HH1  ARG  20          1HH2      ARG  20  -3.668   7.189   7.721
  142   2HH1  ARG  20          2HH2      ARG  20  -5.074   7.153   8.730
  143   1HH2  ARG  20          1HH1      ARG  20  -5.458  10.598   8.773
  144   2HH2  ARG  20          2HH1      ARG  20  -6.086   9.082   9.329
  145    H    LEU  21           H        LEU  21  -4.009   9.617   2.498
  146    HA   LEU  21           HA       LEU  21  -1.259  10.667   1.954
  147   1HB   LEU  21          2HB       LEU  21  -3.063   9.785   0.043
  148   2HB   LEU  21          1HB       LEU  21  -3.346  11.526   0.078
  149    HG   LEU  21           HG       LEU  21  -0.537  10.450  -0.015
  150   1HD1  LEU  21          1HD1      LEU  21  -0.857  10.958  -2.580
  151   2HD1  LEU  21          2HD1      LEU  21  -2.553  10.615  -2.235
  152   3HD1  LEU  21          3HD1      LEU  21  -1.325   9.384  -1.935
  153   1HD2  LEU  21          1HD2      LEU  21  -0.614  12.782   0.399
  154   2HD2  LEU  21          2HD2      LEU  21  -1.956  13.022  -0.721
  155   3HD2  LEU  21          3HD2      LEU  21  -0.344  12.667  -1.340
  156    H    GLN  22           HN       GLN  22  -2.377  11.419   4.266
  157    HA   GLN  22           HA       GLN  22  -3.409  14.176   3.712
  158   1HB   GLN  22          2HB       GLN  22  -4.917  12.057   4.629
  159   2HB   GLN  22          1HB       GLN  22  -4.427  12.841   6.132
  160   1HG   GLN  22          2HG       GLN  22  -5.367  14.619   3.936
  161   2HG   GLN  22          1HG       GLN  22  -6.588  13.634   4.742
  162   1HE2  GLN  22          1HE2      GLN  22  -6.925  16.281   5.212
  163   2HE2  GLN  22          2HE2      GLN  22  -6.367  16.729   6.751
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  -0.471   3.461  -5.037
    2   2H    GLY   1          2HT       GLY   1  -1.753   3.062  -3.994
    3   3H    GLY   1          3HT       GLY   1  -2.075   3.645  -5.558
    4   1HA   GLY   1          2HA       GLY   1  -1.717   1.670  -6.545
    5   2HA   GLY   1          1HA       GLY   1  -0.429   1.256  -5.412
    6    H    ARG   2           H        ARG   2  -2.506  -0.556  -6.126
    7    HA   ARG   2           HA       ARG   2  -4.338  -0.586  -3.781
    8   1HB   ARG   2          2HB       ARG   2  -4.158  -2.414  -6.197
    9   2HB   ARG   2          1HB       ARG   2  -5.523  -2.259  -5.089
   10   1HG   ARG   2          2HG       ARG   2  -4.449   0.006  -6.797
   11   2HG   ARG   2          1HG       ARG   2  -5.844  -0.987  -7.226
   12   1HD   ARG   2          2HD       ARG   2  -7.205   0.069  -5.719
   13   2HD   ARG   2          1HD       ARG   2  -5.925   0.171  -4.494
   14    HE   ARG   2           HE       ARG   2  -4.982   1.909  -6.340
   15   1HH1  ARG   2          1HH1      ARG   2  -7.067   2.269  -3.886
   16   2HH1  ARG   2          2HH1      ARG   2  -8.018   3.546  -4.571
   17   1HH2  ARG   2          1HH2      ARG   2  -6.658   3.211  -7.746
   18   2HH2  ARG   2          2HH2      ARG   2  -7.783   4.081  -6.757
   19    H    ASN   3           H        ASN   3  -1.583  -2.292  -5.158
   20    HA   ASN   3           HA       ASN   3  -1.745  -4.529  -3.263
   21   1HB   ASN   3          2HB       ASN   3   0.061  -3.601  -5.471
   22   2HB   ASN   3          1HB       ASN   3   0.600  -4.881  -4.383
   23   1HD2  ASN   3          1HD2      ASN   3  -1.578  -6.459  -3.970
   24   2HD2  ASN   3          2HD2      ASN   3  -2.217  -7.039  -5.431
   25    H    ASP   4           H        ASP   4   0.759  -4.924  -2.326
   26    HA   ASP   4           HA       ASP   4   1.273  -2.421  -0.787
   27   1HB   ASP   4          2HB       ASP   4   1.605  -5.316  -0.049
   28   2HB   ASP   4          1HB       ASP   4   2.055  -3.982   0.997
   29    HA   PRO   5           HA       PRO   5   4.969  -3.606  -3.396
   30   1HB   PRO   5          2HB       PRO   5   5.121  -1.152  -4.647
   31   2HB   PRO   5          1HB       PRO   5   4.186  -2.513  -5.286
   32   1HG   PRO   5          2HG       PRO   5   3.233  -0.193  -3.659
   33   2HG   PRO   5          1HG       PRO   5   2.522  -0.894  -5.119
   34   1HD   PRO   5          2HD       PRO   5   1.537  -1.485  -2.719
   35   2HD   PRO   5          1HD       PRO   5   1.650  -2.728  -3.981
   36    H    CYS   6           H        CYS   6   5.556  -0.250  -3.286
   37    HA   CYS   6           HA       CYS   6   7.307   0.819  -2.059
   38   1HB   CYS   6          2HB       CYS   6   6.156   1.582  -0.036
   39   2HB   CYS   6          1HB       CYS   6   4.996   1.378  -1.314
   40    HA   PRO   7           HA       PRO   7   9.446  -2.036   0.651
   41   1HB   PRO   7          2HB       PRO   7   9.645  -1.120   3.196
   42   2HB   PRO   7          1HB       PRO   7  10.433  -0.311   1.828
   43   1HG   PRO   7          2HG       PRO   7   8.178   0.546   3.414
   44   2HG   PRO   7          1HG       PRO   7   9.168   1.471   2.285
   45   1HD   PRO   7          2HD       PRO   7   6.551   0.275   1.880
   46   2HD   PRO   7          1HD       PRO   7   7.447   1.402   0.841
   47    H    CYS   8           H        CYS   8   6.342  -2.132   0.830
   48    HA   CYS   8           HA       CYS   8   5.941  -3.552   3.364
   49   1HB   CYS   8          2HB       CYS   8   4.222  -2.638   1.069
   50   2HB   CYS   8          1HB       CYS   8   3.575  -3.718   2.298
   51    H    GLY   9           H        GLY   9   5.459  -4.279  -0.122
   52   1HA   GLY   9          2HA       GLY   9   5.506  -6.339  -1.257
   53   2HA   GLY   9          1HA       GLY   9   6.665  -6.859  -0.031
   54    H    SER  10           H        SER  10   3.138  -6.185  -0.199
   55    HA   SER  10           HA       SER  10   2.474  -8.856   0.692
   56   1HB   SER  10          2HB       SER  10   2.092  -8.366   2.927
   57   2HB   SER  10          1HB       SER  10   3.517  -7.395   2.610
   58    HG   SER  10           HG       SER  10   1.721  -6.299   3.681
   59    H    GLY  11           H        GLY  11   0.193  -7.446   2.234
   60   1HA   GLY  11          2HA       GLY  11  -1.336  -6.237   0.010
   61   2HA   GLY  11          1HA       GLY  11  -2.000  -7.691   0.752
   62    H    LYS  12           H        LYS  12  -3.083  -4.928   0.739
   63    HA   LYS  12           HA       LYS  12  -4.310  -3.614   2.265
   64   1HB   LYS  12          2HB       LYS  12  -3.342  -5.576   4.345
   65   2HB   LYS  12          1HB       LYS  12  -4.828  -4.631   4.365
   66   1HG   LYS  12          2HG       LYS  12  -5.784  -5.908   2.588
   67   2HG   LYS  12          1HG       LYS  12  -4.240  -6.670   2.210
   68   1HD   LYS  12          2HD       LYS  12  -5.818  -8.143   3.512
   69   2HD   LYS  12          1HD       LYS  12  -4.255  -7.897   4.292
   70   1HE   LYS  12          2HE       LYS  12  -5.149  -6.561   5.969
   71   2HE   LYS  12          1HE       LYS  12  -6.483  -5.995   4.946
   72   1HZ   LYS  12          1HZ       LYS  12  -6.191  -8.830   5.754
   73   2HZ   LYS  12          2HZ       LYS  12  -7.555  -8.068   5.084
   74   3HZ   LYS  12          3HZ       LYS  12  -7.078  -7.718   6.678
   75    H    LYS  13           H        LYS  13  -1.573  -4.782   4.154
   76    HA   LYS  13           HA       LYS  13  -0.924  -2.753   5.793
   77   1HB   LYS  13          2HB       LYS  13   0.438  -4.714   5.622
   78   2HB   LYS  13          1HB       LYS  13   0.876  -4.325   3.959
   79   1HG   LYS  13          2HG       LYS  13   2.755  -3.501   4.966
   80   2HG   LYS  13          1HG       LYS  13   1.745  -2.077   5.184
   81   1HD   LYS  13          2HD       LYS  13   1.212  -3.954   7.300
   82   2HD   LYS  13          1HD       LYS  13   2.947  -3.649   7.206
   83   1HE   LYS  13          2HE       LYS  13   2.724  -1.469   7.873
   84   2HE   LYS  13          1HE       LYS  13   1.227  -1.243   6.949
   85   1HZ   LYS  13          1HZ       LYS  13   1.559  -2.638   9.543
   86   2HZ   LYS  13          2HZ       LYS  13   0.164  -2.798   8.587
   87   3HZ   LYS  13          3HZ       LYS  13   0.599  -1.280   9.214
   88    H    TYR  14           H        TYR  14  -0.518  -2.606   2.354
   89    HA   TYR  14           HA       TYR  14   1.037  -0.197   2.207
   90   1HB   TYR  14          2HB       TYR  14   0.504  -1.989   0.506
   91   2HB   TYR  14          1HB       TYR  14  -1.057  -1.216   0.306
   92    HD1  TYR  14           HD1      TYR  14   2.500  -1.054  -0.453
   93    HD2  TYR  14           HD2      TYR  14  -1.166   1.184  -0.489
   94    HE1  TYR  14           HE1      TYR  14   3.517   0.594  -1.987
   95    HE2  TYR  14           HE2      TYR  14  -0.143   2.835  -2.025
   96    HH   TYR  14           HH       TYR  14   3.021   2.290  -3.456
   97    H    LYS  15           H        LYS  15  -2.464  -0.741   1.732
   98    HA   LYS  15           HA       LYS  15  -3.361   1.848   1.400
   99   1HB   LYS  15          2HB       LYS  15  -4.367  -0.663   2.608
  100   2HB   LYS  15          1HB       LYS  15  -5.245   0.791   3.084
  101   1HG   LYS  15          2HG       LYS  15  -4.711   0.889   0.258
  102   2HG   LYS  15          1HG       LYS  15  -5.485  -0.647   0.655
  103   1HD   LYS  15          2HD       LYS  15  -6.572   1.873   1.859
  104   2HD   LYS  15          1HD       LYS  15  -6.958   1.493   0.181
  105   1HE   LYS  15          2HE       LYS  15  -7.252  -0.736   2.141
  106   2HE   LYS  15          1HE       LYS  15  -8.457   0.567   2.219
  107   1HZ   LYS  15          1HZ       LYS  15  -7.786  -1.206  -0.035
  108   2HZ   LYS  15          2HZ       LYS  15  -8.401   0.348  -0.346
  109   3HZ   LYS  15          3HZ       LYS  15  -9.311  -0.764   0.559
  110    H    GLN  16           H        GLN  16  -2.552   0.213   4.451
  111    HA   GLN  16           HA       GLN  16  -3.078   2.575   6.103
  112   1HB   GLN  16          2HB       GLN  16  -1.476   0.108   6.818
  113   2HB   GLN  16          1HB       GLN  16  -2.451   1.113   7.884
  114   1HG   GLN  16          2HG       GLN  16  -3.979  -0.061   5.654
  115   2HG   GLN  16          1HG       GLN  16  -3.288  -1.254   6.752
  116   1HE2  GLN  16          1HE2      GLN  16  -5.453  -1.739   7.618
  117   2HE2  GLN  16          2HE2      GLN  16  -6.222  -0.660   8.680
  118    H    CYS  17           H        CYS  17  -0.396   1.245   4.323
  119    HA   CYS  17           HA       CYS  17   1.588   2.926   5.774
  120   1HB   CYS  17          2HB       CYS  17   1.957   0.499   5.234
  121   2HB   CYS  17          1HB       CYS  17   1.910   0.913   3.524
  122    H    HIS  18           H        HIS  18   0.973   2.193   2.319
  123    HA   HIS  18           HA       HIS  18   1.793   4.996   1.652
  124   1HB   HIS  18          2HB       HIS  18   1.738   2.372   0.154
  125   2HB   HIS  18          1HB       HIS  18   2.160   3.899  -0.607
  126    HD1  HIS  18           HD1      HIS  18   4.498   4.821  -0.167
  127    HD2  HIS  18           HD2      HIS  18   3.584   1.474   2.119
  128    HE1  HIS  18           HE1      HIS  18   6.668   4.077   0.905
  129    H    GLY  19           H        GLY  19  -1.050   3.444   2.200
  130   1HA   GLY  19          2HA       GLY  19  -2.485   3.973  -0.257
  131   2HA   GLY  19          1HA       GLY  19  -3.223   3.630   1.307
  132    H    ARG  20           H        ARG  20  -2.554   5.610   2.929
  133    HA   ARG  20           HA       ARG  20  -3.395   8.106   1.485
  134   1HB   ARG  20          2HB       ARG  20  -3.937   7.290   4.355
  135   2HB   ARG  20          1HB       ARG  20  -4.674   8.629   3.476
  136   1HG   ARG  20          2HG       ARG  20  -4.966   5.703   2.754
  137   2HG   ARG  20          1HG       ARG  20  -6.181   6.670   3.589
  138   1HD   ARG  20          2HD       ARG  20  -5.786   8.287   1.479
  139   2HD   ARG  20          1HD       ARG  20  -5.361   6.741   0.719
  140    HE   ARG  20           HE       ARG  20  -7.736   6.373   2.263
  141   1HH1  ARG  20          1HH1      ARG  20  -6.930   5.967  -0.785
  142   2HH1  ARG  20          2HH1      ARG  20  -8.271   6.774  -1.526
  143   1HH2  ARG  20          1HH2      ARG  20  -9.324   8.285   1.414
  144   2HH2  ARG  20          2HH2      ARG  20  -9.629   8.087  -0.280
  145    H    LEU  21           H        LEU  21  -2.870  10.068   3.114
  146    HA   LEU  21           HA       LEU  21   0.027   9.809   3.737
  147   1HB   LEU  21          2HB       LEU  21  -0.096  12.314   3.671
  148   2HB   LEU  21          1HB       LEU  21  -0.669  11.572   2.177
  149    HG   LEU  21           HG       LEU  21  -2.777  11.893   4.196
  150   1HD1  LEU  21          1HD1      LEU  21  -2.104  14.466   2.888
  151   2HD1  LEU  21          2HD1      LEU  21  -1.033  13.982   4.204
  152   3HD1  LEU  21          3HD1      LEU  21  -2.764  14.159   4.495
  153   1HD2  LEU  21          1HD2      LEU  21  -3.971  11.829   2.285
  154   2HD2  LEU  21          2HD2      LEU  21  -2.460  11.710   1.383
  155   3HD2  LEU  21          3HD2      LEU  21  -3.172  13.291   1.706
  156    H    GLN  22           HN       GLN  22  -1.947   8.682   5.495
  157    HA   GLN  22           HA       GLN  22  -2.444   8.632   7.815
  158   1HB   GLN  22          2HB       GLN  22   0.112   8.969   7.631
  159   2HB   GLN  22          1HB       GLN  22  -0.210  10.656   8.030
  160   1HG   GLN  22          2HG       GLN  22  -1.376   9.931  10.096
  161   2HG   GLN  22          1HG       GLN  22  -0.989   8.253   9.708
  162   1HE2  GLN  22          1HE2      GLN  22   1.274   7.579   9.873
  163   2HE2  GLN  22          2HE2      GLN  22   2.417   8.528  10.695
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -8.611  -4.194  -2.442
    2   2H    GLY   1          2HT       GLY   1  -8.305  -5.654  -1.627
    3   3H    GLY   1          3HT       GLY   1  -7.354  -5.207  -2.961
    4   1HA   GLY   1          2HA       GLY   1  -7.406  -3.271  -0.810
    5   2HA   GLY   1          1HA       GLY   1  -6.635  -4.808  -0.417
    6    H    ARG   2           H        ARG   2  -6.713  -3.518  -3.683
    7    HA   ARG   2           HA       ARG   2  -4.884  -3.087  -5.137
    8   1HB   ARG   2          2HB       ARG   2  -4.508  -1.482  -2.615
    9   2HB   ARG   2          1HB       ARG   2  -3.382  -1.310  -3.961
   10   1HG   ARG   2          2HG       ARG   2  -4.876   0.243  -4.699
   11   2HG   ARG   2          1HG       ARG   2  -5.762  -1.167  -5.280
   12   1HD   ARG   2          2HD       ARG   2  -6.847  -1.207  -2.916
   13   2HD   ARG   2          1HD       ARG   2  -6.256   0.463  -2.785
   14    HE   ARG   2           HE       ARG   2  -7.425   0.679  -5.150
   15   1HH1  ARG   2          1HH1      ARG   2  -8.438  -2.031  -3.491
   16   2HH1  ARG   2          2HH1      ARG   2 -10.115  -1.596  -3.428
   17   1HH2  ARG   2          1HH2      ARG   2  -9.598   1.613  -4.638
   18   2HH2  ARG   2          2HH2      ARG   2 -10.771   0.468  -4.081
   19    H    ASN   3           H        ASN   3  -2.197  -2.625  -4.632
   20    HA   ASN   3           HA       ASN   3  -1.304  -5.262  -3.546
   21   1HB   ASN   3          2HB       ASN   3   0.055  -3.331  -5.444
   22   2HB   ASN   3          1HB       ASN   3   0.574  -4.977  -5.081
   23   1HD2  ASN   3          1HD2      ASN   3   0.198  -6.038  -7.063
   24   2HD2  ASN   3          2HD2      ASN   3  -1.308  -6.081  -7.845
   25    H    ASP   4           H        ASP   4   0.804  -5.263  -2.396
   26    HA   ASP   4           HA       ASP   4   1.177  -2.714  -0.864
   27   1HB   ASP   4          2HB       ASP   4   1.282  -5.606  -0.297
   28   2HB   ASP   4          1HB       ASP   4   2.227  -4.523   0.716
   29    HA   PRO   5           HA       PRO   5   5.016  -3.812  -3.408
   30   1HB   PRO   5          2HB       PRO   5   5.127  -1.423  -4.758
   31   2HB   PRO   5          1HB       PRO   5   4.216  -2.820  -5.350
   32   1HG   PRO   5          2HG       PRO   5   3.211  -0.479  -3.771
   33   2HG   PRO   5          1HG       PRO   5   2.546  -1.181  -5.253
   34   1HD   PRO   5          2HD       PRO   5   1.483  -1.803  -2.914
   35   2HD   PRO   5          1HD       PRO   5   1.718  -3.062  -4.145
   36    H    CYS   6           H        CYS   6   5.542  -0.470  -3.474
   37    HA   CYS   6           HA       CYS   6   7.200   0.731  -2.273
   38   1HB   CYS   6          2HB       CYS   6   6.000   1.589  -0.345
   39   2HB   CYS   6          1HB       CYS   6   4.823   1.182  -1.566
   40    HA   PRO   7           HA       PRO   7   9.417  -1.902   0.574
   41   1HB   PRO   7          2HB       PRO   7   9.726  -0.684   2.976
   42   2HB   PRO   7          1HB       PRO   7  10.460  -0.055   1.490
   43   1HG   PRO   7          2HG       PRO   7   8.286   1.017   3.054
   44   2HG   PRO   7          1HG       PRO   7   9.220   1.780   1.767
   45   1HD   PRO   7          2HD       PRO   7   6.586   0.538   1.649
   46   2HD   PRO   7          1HD       PRO   7   7.416   1.544   0.443
   47    H    CYS   8           H        CYS   8   6.374  -2.106   0.795
   48    HA   CYS   8           HA       CYS   8   6.140  -3.211   3.527
   49   1HB   CYS   8          2HB       CYS   8   4.153  -2.466   1.382
   50   2HB   CYS   8          1HB       CYS   8   3.680  -3.282   2.866
   51    H    GLY   9           H        GLY   9   5.334  -4.111   0.150
   52   1HA   GLY   9          2HA       GLY   9   5.200  -6.223  -0.871
   53   2HA   GLY   9          1HA       GLY   9   6.377  -6.758   0.327
   54    H    SER  10           H        SER  10   2.890  -6.354  -0.248
   55    HA   SER  10           HA       SER  10   2.269  -8.742   1.236
   56   1HB   SER  10          2HB       SER  10   1.212  -7.600   3.099
   57   2HB   SER  10          1HB       SER  10   2.887  -7.081   2.989
   58    HG   SER  10           HG       SER  10   2.234  -5.139   2.492
   59    H    GLY  11           H        GLY  11  -0.321  -7.329   2.057
   60   1HA   GLY  11          2HA       GLY  11  -1.561  -6.755  -0.567
   61   2HA   GLY  11          1HA       GLY  11  -2.212  -8.118   0.342
   62    H    LYS  12           H        LYS  12  -1.074  -5.556   2.326
   63    HA   LYS  12           HA       LYS  12  -3.622  -4.084   2.358
   64   1HB   LYS  12          2HB       LYS  12  -2.924  -6.279   4.210
   65   2HB   LYS  12          1HB       LYS  12  -3.549  -4.821   4.986
   66   1HG   LYS  12          2HG       LYS  12  -5.052  -5.553   2.581
   67   2HG   LYS  12          1HG       LYS  12  -5.093  -6.809   3.817
   68   1HD   LYS  12          2HD       LYS  12  -6.919  -5.033   3.982
   69   2HD   LYS  12          1HD       LYS  12  -5.978  -5.301   5.450
   70   1HE   LYS  12          2HE       LYS  12  -4.884  -3.260   5.285
   71   2HE   LYS  12          1HE       LYS  12  -5.019  -3.214   3.517
   72   1HZ   LYS  12          1HZ       LYS  12  -6.738  -2.042   5.352
   73   2HZ   LYS  12          2HZ       LYS  12  -7.593  -3.351   4.688
   74   3HZ   LYS  12          3HZ       LYS  12  -6.948  -2.149   3.674
   75    H    LYS  13           H        LYS  13  -0.521  -4.695   3.823
   76    HA   LYS  13           HA       LYS  13  -0.045  -2.651   5.578
   77   1HB   LYS  13          2HB       LYS  13   1.787  -3.394   3.286
   78   2HB   LYS  13          1HB       LYS  13   2.279  -2.697   4.822
   79   1HG   LYS  13          2HG       LYS  13   0.874  -5.363   4.601
   80   2HG   LYS  13          1HG       LYS  13   2.620  -5.187   4.586
   81   1HD   LYS  13          2HD       LYS  13   1.051  -3.873   6.779
   82   2HD   LYS  13          1HD       LYS  13   1.356  -5.609   6.867
   83   1HE   LYS  13          2HE       LYS  13   3.786  -5.205   6.660
   84   2HE   LYS  13          1HE       LYS  13   3.487  -3.458   6.566
   85   1HZ   LYS  13          1HZ       LYS  13   3.267  -5.252   8.845
   86   2HZ   LYS  13          2HZ       LYS  13   2.031  -4.096   8.698
   87   3HZ   LYS  13          3HZ       LYS  13   3.654  -3.602   8.802
   88    H    TYR  14           H        TYR  14   0.990  -2.208   2.282
   89    HA   TYR  14           HA       TYR  14   1.459   0.417   2.004
   90   1HB   TYR  14          2HB       TYR  14   1.343  -1.498   0.352
   91   2HB   TYR  14          1HB       TYR  14  -0.359  -1.100   0.148
   92    HD1  TYR  14           HD1      TYR  14   2.761  -0.625  -1.255
   93    HD2  TYR  14           HD2      TYR  14  -0.687   1.634  -0.057
   94    HE1  TYR  14           HE1      TYR  14   3.426   1.201  -2.784
   95    HE2  TYR  14           HE2      TYR  14  -0.025   3.460  -1.586
   96    HH   TYR  14           HH       TYR  14   2.197   3.097  -4.027
   97    H    LYS  15           H        LYS  15  -1.886  -0.804   1.470
   98    HA   LYS  15           HA       LYS  15  -3.243   1.596   1.236
   99   1HB   LYS  15          2HB       LYS  15  -3.782  -1.128   2.011
  100   2HB   LYS  15          1HB       LYS  15  -4.724  -0.048   3.038
  101   1HG   LYS  15          2HG       LYS  15  -4.754   0.817   0.255
  102   2HG   LYS  15          1HG       LYS  15  -5.378  -0.822   0.440
  103   1HD   LYS  15          2HD       LYS  15  -6.452   0.658   2.590
  104   2HD   LYS  15          1HD       LYS  15  -6.629   1.678   1.163
  105   1HE   LYS  15          2HE       LYS  15  -7.940   0.072   0.025
  106   2HE   LYS  15          1HE       LYS  15  -7.402  -1.244   1.086
  107   1HZ   LYS  15          1HZ       LYS  15  -8.575   0.982   2.489
  108   2HZ   LYS  15          2HZ       LYS  15  -8.865  -0.683   2.663
  109   3HZ   LYS  15          3HZ       LYS  15  -9.662   0.199   1.450
  110    H    GLN  16           H        GLN  16  -2.289  -0.014   4.258
  111    HA   GLN  16           HA       GLN  16  -3.140   2.236   5.943
  112   1HB   GLN  16          2HB       GLN  16  -1.375  -0.092   6.717
  113   2HB   GLN  16          1HB       GLN  16  -2.545   0.766   7.714
  114   1HG   GLN  16          2HG       GLN  16  -3.175  -1.087   5.391
  115   2HG   GLN  16          1HG       GLN  16  -3.460  -1.409   7.098
  116   1HE2  GLN  16          1HE2      GLN  16  -5.754  -1.455   7.108
  117   2HE2  GLN  16          2HE2      GLN  16  -6.717  -0.131   6.658
  118    H    CYS  17           H        CYS  17  -0.246   1.167   4.316
  119    HA   CYS  17           HA       CYS  17   1.494   2.975   5.914
  120   1HB   CYS  17          2HB       CYS  17   2.395   0.813   5.481
  121   2HB   CYS  17          1HB       CYS  17   1.875   0.848   3.798
  122    H    HIS  18           H        HIS  18   1.289   2.326   2.401
  123    HA   HIS  18           HA       HIS  18   1.791   5.216   1.894
  124   1HB   HIS  18          2HB       HIS  18   2.012   2.640   0.337
  125   2HB   HIS  18          1HB       HIS  18   2.122   4.203  -0.470
  126    HD1  HIS  18           HD1      HIS  18   4.672   3.074  -0.847
  127    HD2  HIS  18           HD2      HIS  18   3.742   4.595   2.921
  128    HE1  HIS  18           HE1      HIS  18   6.878   3.461   0.334
  129    H    GLY  19           H        GLY  19  -0.927   3.437   2.374
  130   1HA   GLY  19          2HA       GLY  19  -2.434   4.159  -0.022
  131   2HA   GLY  19          1HA       GLY  19  -3.106   3.464   1.454
  132    H    ARG  20           H        ARG  20  -1.351   5.864   2.663
  133    HA   ARG  20           HA       ARG  20  -3.222   8.083   2.068
  134   1HB   ARG  20          2HB       ARG  20  -3.897   8.282   4.376
  135   2HB   ARG  20          1HB       ARG  20  -4.120   6.593   3.918
  136   1HG   ARG  20          2HG       ARG  20  -1.775   6.170   4.830
  137   2HG   ARG  20          1HG       ARG  20  -1.849   7.791   5.521
  138   1HD   ARG  20          2HD       ARG  20  -4.086   7.042   6.586
  139   2HD   ARG  20          1HD       ARG  20  -3.565   5.392   6.191
  140    HE   ARG  20           HE       ARG  20  -1.362   6.703   7.397
  141   1HH1  ARG  20          1HH2      ARG  20  -4.449   7.010   8.579
  142   2HH1  ARG  20          2HH2      ARG  20  -4.175   6.160  10.063
  143   1HH2  ARG  20          1HH1      ARG  20  -1.035   5.022   9.141
  144   2HH2  ARG  20          2HH1      ARG  20  -2.244   5.036  10.381
  145    H    LEU  21           H        LEU  21  -0.358   6.934   3.738
  146    HA   LEU  21           HA       LEU  21   1.673   8.025   4.266
  147   1HB   LEU  21          2HB       LEU  21   0.534   9.203   1.819
  148   2HB   LEU  21          1HB       LEU  21   1.671  10.267   2.648
  149    HG   LEU  21           HG       LEU  21   2.489   7.422   2.397
  150   1HD1  LEU  21          1HD1      LEU  21   2.450   9.330   0.037
  151   2HD1  LEU  21          2HD1      LEU  21   1.515   7.841   0.176
  152   3HD1  LEU  21          3HD1      LEU  21   3.275   7.772   0.073
  153   1HD2  LEU  21          1HD2      LEU  21   4.673   8.460   2.075
  154   2HD2  LEU  21          2HD2      LEU  21   3.870   9.233   3.443
  155   3HD2  LEU  21          3HD2      LEU  21   3.924  10.045   1.878
  156    H    GLN  22           HN       GLN  22   0.793   8.601   6.419
  157    HA   GLN  22           HA       GLN  22  -0.504  11.208   6.779
  158   1HB   GLN  22          2HB       GLN  22  -0.579   8.878   8.103
  159   2HB   GLN  22          1HB       GLN  22   0.718   9.649   9.017
  160   1HG   GLN  22          2HG       GLN  22  -0.759  10.954  10.101
  161   2HG   GLN  22          1HG       GLN  22  -1.415  11.539   8.572
  162   1HE2  GLN  22          1HE2      GLN  22  -3.433  11.319  10.224
  163   2HE2  GLN  22          2HE2      GLN  22  -4.288   9.858  10.088
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -4.410  -8.075  -4.342
    2   2H    GLY   1          2HT       GLY   1  -5.420  -7.636  -3.049
    3   3H    GLY   1          3HT       GLY   1  -5.904  -8.851  -4.133
    4   1HA   GLY   1          2HA       GLY   1  -4.682  -9.263  -1.746
    5   2HA   GLY   1          1HA       GLY   1  -4.790 -10.435  -3.061
    6    H    ARG   2           H        ARG   2  -2.971  -7.437  -3.331
    7    HA   ARG   2           HA       ARG   2  -0.386  -8.383  -2.562
    8   1HB   ARG   2          2HB       ARG   2  -1.510  -9.459  -4.992
    9   2HB   ARG   2          1HB       ARG   2  -0.066  -8.532  -5.365
   10   1HG   ARG   2          2HG       ARG   2   0.187 -10.275  -2.997
   11   2HG   ARG   2          1HG       ARG   2  -0.020 -11.132  -4.526
   12   1HD   ARG   2          2HD       ARG   2   2.027  -8.923  -4.102
   13   2HD   ARG   2          1HD       ARG   2   2.398 -10.655  -3.991
   14    HE   ARG   2           HE       ARG   2   1.134 -10.526  -6.405
   15   1HH1  ARG   2          1HH1      ARG   2   4.236 -10.410  -5.682
   16   2HH1  ARG   2          2HH1      ARG   2   4.738  -9.241  -6.856
   17   1HH2  ARG   2          1HH2      ARG   2   1.508  -8.244  -7.634
   18   2HH2  ARG   2          2HH2      ARG   2   3.194  -8.016  -7.961
   19    H    ASN   3           H        ASN   3  -2.143  -5.834  -3.056
   20    HA   ASN   3           HA       ASN   3  -0.325  -4.421  -4.921
   21   1HB   ASN   3          2HB       ASN   3  -2.352  -2.841  -3.528
   22   2HB   ASN   3          1HB       ASN   3  -2.037  -2.987  -5.253
   23   1HD2  ASN   3          1HD2      ASN   3  -4.583  -3.372  -3.338
   24   2HD2  ASN   3          2HD2      ASN   3  -5.301  -4.762  -3.996
   25    H    ASP   4           H        ASP   4   0.758  -5.232  -2.301
   26    HA   ASP   4           HA       ASP   4   0.970  -2.547  -0.975
   27   1HB   ASP   4          2HB       ASP   4   1.134  -5.395  -0.160
   28   2HB   ASP   4          1HB       ASP   4   2.074  -4.237   0.769
   29    HA   PRO   5           HA       PRO   5   4.854  -3.552  -3.417
   30   1HB   PRO   5          2HB       PRO   5   5.056  -1.042  -4.525
   31   2HB   PRO   5          1HB       PRO   5   4.152  -2.371  -5.265
   32   1HG   PRO   5          2HG       PRO   5   3.130  -0.155  -3.537
   33   2HG   PRO   5          1HG       PRO   5   2.492  -0.742  -5.080
   34   1HD   PRO   5          2HD       PRO   5   1.354  -1.513  -2.813
   35   2HD   PRO   5          1HD       PRO   5   1.617  -2.688  -4.126
   36    H    CYS   6           H        CYS   6   5.468  -0.223  -3.155
   37    HA   CYS   6           HA       CYS   6   7.192   0.800  -1.915
   38   1HB   CYS   6          2HB       CYS   6   6.171   1.399   0.211
   39   2HB   CYS   6          1HB       CYS   6   4.910   1.198  -0.967
   40    HA   PRO   7           HA       PRO   7   9.617  -2.187   0.337
   41   1HB   PRO   7          2HB       PRO   7  10.157  -1.291   2.837
   42   2HB   PRO   7          1HB       PRO   7  10.751  -0.465   1.384
   43   1HG   PRO   7          2HG       PRO   7   8.718   0.364   3.266
   44   2HG   PRO   7          1HG       PRO   7   9.560   1.308   2.038
   45   1HD   PRO   7          2HD       PRO   7   6.910   0.120   1.938
   46   2HD   PRO   7          1HD       PRO   7   7.684   1.256   0.809
   47    H    CYS   8           H        CYS   8   6.578  -2.319   0.860
   48    HA   CYS   8           HA       CYS   8   6.611  -3.827   3.396
   49   1HB   CYS   8          2HB       CYS   8   4.395  -2.741   1.656
   50   2HB   CYS   8          1HB       CYS   8   4.116  -3.658   3.131
   51    H    GLY   9           H        GLY   9   5.273  -4.197   0.076
   52   1HA   GLY   9          2HA       GLY   9   4.919  -6.146  -1.194
   53   2HA   GLY   9          1HA       GLY   9   6.194  -6.890  -0.231
   54    H    SER  10           H        SER  10   2.720  -6.165  -0.245
   55    HA   SER  10           HA       SER  10   2.164  -8.688   1.096
   56   1HB   SER  10          2HB       SER  10   1.260  -7.565   3.093
   57   2HB   SER  10          1HB       SER  10   2.969  -7.205   2.884
   58    HG   SER  10           HG       SER  10   0.745  -5.568   2.681
   59    H    GLY  11           H        GLY  11  -0.304  -7.121   2.189
   60   1HA   GLY  11          2HA       GLY  11  -1.772  -7.017  -0.407
   61   2HA   GLY  11          1HA       GLY  11  -2.474  -7.715   1.048
   62    H    LYS  12           H        LYS  12  -2.562  -6.043   2.987
   63    HA   LYS  12           HA       LYS  12  -3.656  -3.518   1.831
   64   1HB   LYS  12          2HB       LYS  12  -4.271  -5.300   4.138
   65   2HB   LYS  12          1HB       LYS  12  -4.678  -3.589   4.293
   66   1HG   LYS  12          2HG       LYS  12  -6.343  -3.711   2.741
   67   2HG   LYS  12          1HG       LYS  12  -5.430  -4.814   1.710
   68   1HD   LYS  12          2HD       LYS  12  -6.823  -5.589   4.290
   69   2HD   LYS  12          1HD       LYS  12  -7.438  -5.910   2.668
   70   1HE   LYS  12          2HE       LYS  12  -5.276  -7.172   2.207
   71   2HE   LYS  12          1HE       LYS  12  -4.929  -7.040   3.943
   72   1HZ   LYS  12          1HZ       LYS  12  -6.196  -8.880   4.078
   73   2HZ   LYS  12          2HZ       LYS  12  -6.954  -8.610   2.582
   74   3HZ   LYS  12          3HZ       LYS  12  -7.495  -7.793   3.971
   75    H    LYS  13           H        LYS  13  -1.134  -4.651   3.864
   76    HA   LYS  13           HA       LYS  13  -0.546  -2.738   5.711
   77   1HB   LYS  13          2HB       LYS  13   0.934  -4.574   5.249
   78   2HB   LYS  13          1HB       LYS  13   1.212  -3.991   3.609
   79   1HG   LYS  13          2HG       LYS  13   3.119  -3.199   4.647
   80   2HG   LYS  13          1HG       LYS  13   2.054  -1.819   4.885
   81   1HD   LYS  13          2HD       LYS  13   1.367  -2.977   7.096
   82   2HD   LYS  13          1HD       LYS  13   2.818  -3.955   6.872
   83   1HE   LYS  13          2HE       LYS  13   3.953  -2.262   7.881
   84   2HE   LYS  13          1HE       LYS  13   3.672  -1.321   6.402
   85   1HZ   LYS  13          1HZ       LYS  13   1.513  -0.659   7.273
   86   2HZ   LYS  13          2HZ       LYS  13   2.754  -0.179   8.330
   87   3HZ   LYS  13          3HZ       LYS  13   1.797  -1.533   8.699
   88    H    TYR  14           H        TYR  14   0.646  -2.405   2.444
   89    HA   TYR  14           HA       TYR  14   1.561   0.168   2.342
   90   1HB   TYR  14          2HB       TYR  14   1.346  -1.584   0.551
   91   2HB   TYR  14          1HB       TYR  14  -0.325  -1.063   0.334
   92    HD1  TYR  14           HD1      TYR  14  -0.524   1.680   0.230
   93    HD2  TYR  14           HD2      TYR  14   2.894  -0.654  -0.917
   94    HE1  TYR  14           HE1      TYR  14   0.273   3.539  -1.185
   95    HE2  TYR  14           HE2      TYR  14   3.684   1.205  -2.341
   96    HH   TYR  14           HH       TYR  14   1.801   3.692  -3.328
   97    H    LYS  15           H        LYS  15  -1.901  -0.679   1.804
   98    HA   LYS  15           HA       LYS  15  -2.950   1.886   1.505
   99   1HB   LYS  15          2HB       LYS  15  -3.862  -0.724   2.563
  100   2HB   LYS  15          1HB       LYS  15  -4.829   0.658   3.076
  101   1HG   LYS  15          2HG       LYS  15  -4.344   1.088   0.345
  102   2HG   LYS  15          1HG       LYS  15  -4.713  -0.632   0.476
  103   1HD   LYS  15          2HD       LYS  15  -6.777  -0.100   1.719
  104   2HD   LYS  15          1HD       LYS  15  -6.410   1.621   1.594
  105   1HE   LYS  15          2HE       LYS  15  -6.734  -0.193  -0.823
  106   2HE   LYS  15          1HE       LYS  15  -8.036   0.818  -0.166
  107   1HZ   LYS  15          1HZ       LYS  15  -7.114   2.352  -1.528
  108   2HZ   LYS  15          2HZ       LYS  15  -5.586   1.610  -1.531
  109   3HZ   LYS  15          3HZ       LYS  15  -6.062   2.578  -0.219
  110    H    GLN  16           H        GLN  16  -2.279   0.170   4.543
  111    HA   GLN  16           HA       GLN  16  -2.958   2.437   6.250
  112   1HB   GLN  16          2HB       GLN  16  -1.332  -0.049   6.869
  113   2HB   GLN  16          1HB       GLN  16  -2.282   0.913   8.000
  114   1HG   GLN  16          2HG       GLN  16  -3.517  -0.530   5.634
  115   2HG   GLN  16          1HG       GLN  16  -3.370  -1.260   7.230
  116   1HE2  GLN  16          1HE2      GLN  16  -3.960   0.932   8.903
  117   2HE2  GLN  16          2HE2      GLN  16  -5.551   1.448   8.620
  118    H    CYS  17           H        CYS  17  -0.194   1.494   4.432
  119    HA   CYS  17           HA       CYS  17   1.652   3.112   6.129
  120   1HB   CYS  17          2HB       CYS  17   2.478   0.932   5.678
  121   2HB   CYS  17          1HB       CYS  17   1.935   0.984   4.003
  122    H    HIS  18           H        HIS  18   1.416   2.534   2.602
  123    HA   HIS  18           HA       HIS  18   2.019   5.429   2.177
  124   1HB   HIS  18          2HB       HIS  18   2.386   2.921   0.537
  125   2HB   HIS  18          1HB       HIS  18   2.739   4.535  -0.080
  126    HD1  HIS  18           HD1      HIS  18   4.468   1.821   1.229
  127    HD2  HIS  18           HD2      HIS  18   4.530   5.875   2.168
  128    HE1  HIS  18           HE1      HIS  18   6.694   2.252   2.333
  129    H    GLY  19           H        GLY  19  -0.745   3.675   2.323
  130   1HA   GLY  19          2HA       GLY  19  -1.847   4.643  -0.258
  131   2HA   GLY  19          1HA       GLY  19  -2.655   3.539   0.847
  132    H    ARG  20           H        ARG  20  -1.730   5.600   3.048
  133    HA   ARG  20           HA       ARG  20  -4.201   6.859   3.468
  134   1HB   ARG  20          2HB       ARG  20  -2.494   6.745   5.172
  135   2HB   ARG  20          1HB       ARG  20  -1.386   7.701   4.185
  136   1HG   ARG  20          2HG       ARG  20  -2.499   9.681   4.598
  137   2HG   ARG  20          1HG       ARG  20  -4.058   8.882   4.794
  138   1HD   ARG  20          2HD       ARG  20  -3.592   8.242   7.021
  139   2HD   ARG  20          1HD       ARG  20  -1.845   8.481   6.816
  140    HE   ARG  20           HE       ARG  20  -3.625  10.533   7.615
  141   1HH1  ARG  20          1HH2      ARG  20  -0.517  10.161   6.667
  142   2HH1  ARG  20          2HH2      ARG  20  -0.350  11.681   5.852
  143   1HH2  ARG  20          1HH1      ARG  20  -3.741  12.401   5.940
  144   2HH2  ARG  20          2HH1      ARG  20  -2.175  12.953   5.449
  145    H    LEU  21           H        LEU  21  -1.678   9.181   3.023
  146    HA   LEU  21           HA       LEU  21  -3.166  11.129   1.710
  147   1HB   LEU  21          2HB       LEU  21  -0.976  12.029   1.056
  148   2HB   LEU  21          1HB       LEU  21  -0.886  11.348   2.681
  149    HG   LEU  21           HG       LEU  21  -0.333   9.199   0.959
  150   1HD1  LEU  21          1HD1      LEU  21   1.134   9.917  -0.678
  151   2HD1  LEU  21          2HD1      LEU  21   1.576  11.375   0.209
  152   3HD1  LEU  21          3HD1      LEU  21   0.035  11.296  -0.646
  153   1HD2  LEU  21          1HD2      LEU  21   0.760   9.368   3.056
  154   2HD2  LEU  21          2HD2      LEU  21   1.327  11.005   2.722
  155   3HD2  LEU  21          3HD2      LEU  21   2.048   9.631   1.882
  156    H    GLN  22           HN       GLN  22  -4.496  10.363   0.034
  157    HA   GLN  22           HA       GLN  22  -3.148   9.060  -2.298
  158   1HB   GLN  22          2HB       GLN  22  -5.507   8.430  -2.861
  159   2HB   GLN  22          1HB       GLN  22  -5.009   7.854  -1.270
  160   1HG   GLN  22          2HG       GLN  22  -6.150  10.557  -1.206
  161   2HG   GLN  22          1HG       GLN  22  -7.286   9.336  -1.783
  162   1HE2  GLN  22          1HE2      GLN  22  -6.198  10.777   1.030
  163   2HE2  GLN  22          2HE2      GLN  22  -6.569   9.541   2.130
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  -5.814  -4.309  -1.906
    2   2H    GLY   1          2HT       GLY   1  -7.458  -4.152  -2.307
    3   3H    GLY   1          3HT       GLY   1  -6.372  -4.842  -3.416
    4   1HA   GLY   1          2HA       GLY   1  -7.397  -5.985  -0.890
    5   2HA   GLY   1          1HA       GLY   1  -7.492  -6.664  -2.516
    6    H    ARG   2           H        ARG   2  -5.067  -6.698  -3.531
    7    HA   ARG   2           HA       ARG   2  -3.223  -7.816  -1.453
    8   1HB   ARG   2          2HB       ARG   2  -3.828  -9.041  -4.164
    9   2HB   ARG   2          1HB       ARG   2  -2.884  -9.762  -2.860
   10   1HG   ARG   2          2HG       ARG   2  -5.782  -8.983  -2.493
   11   2HG   ARG   2          1HG       ARG   2  -5.309 -10.570  -3.101
   12   1HD   ARG   2          2HD       ARG   2  -3.840 -10.819  -1.042
   13   2HD   ARG   2          1HD       ARG   2  -4.622  -9.356  -0.408
   14    HE   ARG   2           HE       ARG   2  -6.812 -10.739  -1.033
   15   1HH1  ARG   2          1HH1      ARG   2  -4.843 -13.141  -1.285
   16   2HH1  ARG   2          2HH1      ARG   2  -5.117 -13.911   0.243
   17   1HH2  ARG   2          1HH2      ARG   2  -6.743 -11.187   1.634
   18   2HH2  ARG   2          2HH2      ARG   2  -6.187 -12.808   1.891
   19    H    ASN   3           H        ASN   3  -2.548  -5.362  -2.154
   20    HA   ASN   3           HA       ASN   3  -0.316  -5.707  -4.105
   21   1HB   ASN   3          2HB       ASN   3  -1.966  -3.222  -4.274
   22   2HB   ASN   3          1HB       ASN   3  -1.059  -4.047  -5.540
   23   1HD2  ASN   3          1HD2      ASN   3  -4.090  -4.213  -3.651
   24   2HD2  ASN   3          2HD2      ASN   3  -4.917  -5.192  -4.764
   25    H    ASP   4           H        ASP   4   0.958  -5.554  -2.083
   26    HA   ASP   4           HA       ASP   4   1.008  -2.760  -1.014
   27   1HB   ASP   4          2HB       ASP   4   1.594  -5.457   0.198
   28   2HB   ASP   4          1HB       ASP   4   2.067  -3.956   0.987
   29    HA   PRO   5           HA       PRO   5   4.915  -3.625  -3.410
   30   1HB   PRO   5          2HB       PRO   5   4.945  -1.127  -4.563
   31   2HB   PRO   5          1HB       PRO   5   4.112  -2.520  -5.264
   32   1HG   PRO   5          2HG       PRO   5   2.981  -0.346  -3.543
   33   2HG   PRO   5          1HG       PRO   5   2.365  -0.989  -5.080
   34   1HD   PRO   5          2HD       PRO   5   1.296  -1.822  -2.804
   35   2HD   PRO   5          1HD       PRO   5   1.644  -2.987  -4.100
   36    H    CYS   6           H        CYS   6   5.321  -0.249  -3.211
   37    HA   CYS   6           HA       CYS   6   6.997   0.890  -1.992
   38   1HB   CYS   6          2HB       CYS   6   5.947   1.476   0.115
   39   2HB   CYS   6          1HB       CYS   6   4.691   1.164  -1.045
   40    HA   PRO   7           HA       PRO   7   9.581  -1.915   0.330
   41   1HB   PRO   7          2HB       PRO   7  10.045  -0.958   2.826
   42   2HB   PRO   7          1HB       PRO   7  10.620  -0.128   1.368
   43   1HG   PRO   7          2HG       PRO   7   8.535   0.636   3.213
   44   2HG   PRO   7          1HG       PRO   7   9.334   1.595   1.968
   45   1HD   PRO   7          2HD       PRO   7   6.750   0.262   1.886
   46   2HD   PRO   7          1HD       PRO   7   7.458   1.420   0.740
   47    H    CYS   8           H        CYS   8   6.562  -2.247   0.809
   48    HA   CYS   8           HA       CYS   8   6.671  -3.726   3.362
   49   1HB   CYS   8          2HB       CYS   8   4.394  -2.767   1.622
   50   2HB   CYS   8          1HB       CYS   8   4.165  -3.704   3.094
   51    H    GLY   9           H        GLY   9   5.489  -4.130   0.002
   52   1HA   GLY   9          2HA       GLY   9   5.186  -6.068  -1.290
   53   2HA   GLY   9          1HA       GLY   9   6.515  -6.754  -0.351
   54    H    SER  10           H        SER  10   2.998  -6.393  -0.479
   55    HA   SER  10           HA       SER  10   2.570  -8.931   0.802
   56   1HB   SER  10          2HB       SER  10   1.735  -7.960   2.911
   57   2HB   SER  10          1HB       SER  10   3.431  -7.581   2.658
   58    HG   SER  10           HG       SER  10   1.558  -5.885   3.145
   59    H    GLY  11           H        GLY  11   0.201  -7.202   2.133
   60   1HA   GLY  11          2HA       GLY  11  -1.406  -6.530  -0.216
   61   2HA   GLY  11          1HA       GLY  11  -1.964  -7.954   0.668
   62    H    LYS  12           H        LYS  12  -2.813  -4.930   0.360
   63    HA   LYS  12           HA       LYS  12  -4.210  -3.594   1.727
   64   1HB   LYS  12          2HB       LYS  12  -3.415  -5.331   4.056
   65   2HB   LYS  12          1HB       LYS  12  -4.904  -4.420   3.830
   66   1HG   LYS  12          2HG       LYS  12  -5.214  -5.953   1.724
   67   2HG   LYS  12          1HG       LYS  12  -4.075  -7.011   2.557
   68   1HD   LYS  12          2HD       LYS  12  -6.436  -5.894   4.042
   69   2HD   LYS  12          1HD       LYS  12  -6.631  -7.310   3.007
   70   1HE   LYS  12          2HE       LYS  12  -5.626  -8.652   4.535
   71   2HE   LYS  12          1HE       LYS  12  -4.264  -7.526   4.712
   72   1HZ   LYS  12          1HZ       LYS  12  -5.281  -6.395   6.373
   73   2HZ   LYS  12          2HZ       LYS  12  -6.055  -7.886   6.627
   74   3HZ   LYS  12          3HZ       LYS  12  -6.842  -6.654   5.761
   75    H    LYS  13           H        LYS  13  -1.705  -4.602   3.994
   76    HA   LYS  13           HA       LYS  13  -1.009  -2.593   5.482
   77   1HB   LYS  13          2HB       LYS  13   0.475  -4.457   5.223
   78   2HB   LYS  13          1HB       LYS  13   0.883  -3.957   3.586
   79   1HG   LYS  13          2HG       LYS  13   2.704  -3.123   4.744
   80   2HG   LYS  13          1HG       LYS  13   1.632  -1.729   4.774
   81   1HD   LYS  13          2HD       LYS  13   0.791  -2.456   7.002
   82   2HD   LYS  13          1HD       LYS  13   1.955  -3.782   6.979
   83   1HE   LYS  13          2HE       LYS  13   3.634  -2.406   7.636
   84   2HE   LYS  13          1HE       LYS  13   3.234  -1.227   6.372
   85   1HZ   LYS  13          1HZ       LYS  13   2.790  -0.221   8.481
   86   2HZ   LYS  13          2HZ       LYS  13   1.882  -1.562   8.995
   87   3HZ   LYS  13          3HZ       LYS  13   1.298  -0.566   7.748
   88    H    TYR  14           H        TYR  14   0.209  -2.378   2.197
   89    HA   TYR  14           HA       TYR  14   1.254   0.160   2.134
   90   1HB   TYR  14          2HB       TYR  14   1.020  -1.535   0.317
   91   2HB   TYR  14          1HB       TYR  14  -0.637  -0.979   0.083
   92    HD1  TYR  14           HD1      TYR  14   2.643  -0.573  -1.046
   93    HD2  TYR  14           HD2      TYR  14  -0.827   1.746  -0.024
   94    HE1  TYR  14           HE1      TYR  14   3.494   1.304  -2.415
   95    HE2  TYR  14           HE2      TYR  14   0.031   3.622  -1.385
   96    HH   TYR  14           HH       TYR  14   1.607   3.871  -3.390
   97    H    LYS  15           H        LYS  15  -2.169  -0.391   1.190
   98    HA   LYS  15           HA       LYS  15  -2.990   2.251   1.056
   99   1HB   LYS  15          2HB       LYS  15  -5.189   1.370   1.318
  100   2HB   LYS  15          1HB       LYS  15  -4.247   0.038   0.652
  101   1HG   LYS  15          2HG       LYS  15  -3.839  -0.590   3.152
  102   2HG   LYS  15          1HG       LYS  15  -5.238   0.422   3.459
  103   1HD   LYS  15          2HD       LYS  15  -5.179  -1.895   1.508
  104   2HD   LYS  15          1HD       LYS  15  -5.857  -1.968   3.136
  105   1HE   LYS  15          2HE       LYS  15  -7.785  -1.000   2.440
  106   2HE   LYS  15          1HE       LYS  15  -6.894   0.324   1.662
  107   1HZ   LYS  15          1HZ       LYS  15  -8.191  -1.439   0.232
  108   2HZ   LYS  15          2HZ       LYS  15  -6.766  -2.339   0.450
  109   3HZ   LYS  15          3HZ       LYS  15  -6.704  -0.811  -0.291
  110    H    GLN  16           H        GLN  16  -2.469   0.253   3.918
  111    HA   GLN  16           HA       GLN  16  -3.384   2.349   5.779
  112   1HB   GLN  16          2HB       GLN  16  -1.773  -0.104   6.474
  113   2HB   GLN  16          1HB       GLN  16  -3.070   0.654   7.394
  114   1HG   GLN  16          2HG       GLN  16  -4.444  -0.002   5.161
  115   2HG   GLN  16          1HG       GLN  16  -3.226  -1.278   5.136
  116   1HE2  GLN  16          1HE2      GLN  16  -3.369  -2.945   6.725
  117   2HE2  GLN  16          2HE2      GLN  16  -4.617  -3.022   7.873
  118    H    CYS  17           H        CYS  17  -0.442   1.258   4.268
  119    HA   CYS  17           HA       CYS  17   1.284   2.838   6.108
  120   1HB   CYS  17          2HB       CYS  17   2.084   0.646   5.597
  121   2HB   CYS  17          1HB       CYS  17   1.702   0.823   3.886
  122    H    HIS  18           H        HIS  18   1.209   2.410   2.553
  123    HA   HIS  18           HA       HIS  18   2.013   5.254   2.241
  124   1HB   HIS  18          2HB       HIS  18   2.018   2.772   0.537
  125   2HB   HIS  18          1HB       HIS  18   2.276   4.364  -0.181
  126    HD1  HIS  18           HD1      HIS  18   4.012   1.692   1.566
  127    HD2  HIS  18           HD2      HIS  18   4.536   5.803   1.132
  128    HE1  HIS  18           HE1      HIS  18   6.381   2.191   2.284
  129    H    GLY  19           H        GLY  19  -0.882   3.702   2.503
  130   1HA   GLY  19          2HA       GLY  19  -2.198   4.802   0.140
  131   2HA   GLY  19          1HA       GLY  19  -2.998   4.032   1.512
  132    H    ARG  20           H        ARG  20  -1.802   5.692   3.544
  133    HA   ARG  20           HA       ARG  20  -3.639   7.889   3.595
  134   1HB   ARG  20          2HB       ARG  20  -2.848   6.954   5.637
  135   2HB   ARG  20          1HB       ARG  20  -1.164   7.115   5.137
  136   1HG   ARG  20          2HG       ARG  20  -1.055   9.220   5.929
  137   2HG   ARG  20          1HG       ARG  20  -2.514   9.682   5.056
  138   1HD   ARG  20          2HD       ARG  20  -3.914   9.169   6.857
  139   2HD   ARG  20          1HD       ARG  20  -2.754   8.020   7.557
  140    HE   ARG  20           HE       ARG  20  -1.947  10.875   7.406
  141   1HH1  ARG  20          1HH2      ARG  20  -1.406   8.065   9.036
  142   2HH1  ARG  20          2HH2      ARG  20  -1.561   8.718  10.631
  143   1HH2  ARG  20          1HH1      ARG  20  -2.815  11.765   9.544
  144   2HH2  ARG  20          2HH1      ARG  20  -2.363  10.815  10.921
  145    H    LEU  21           H        LEU  21  -0.340   8.735   4.243
  146    HA   LEU  21           HA       LEU  21   0.021  10.211   1.723
  147   1HB   LEU  21          2HB       LEU  21  -1.506  11.391   3.621
  148   2HB   LEU  21          1HB       LEU  21   0.089  11.921   4.157
  149    HG   LEU  21           HG       LEU  21  -0.689  13.585   2.613
  150   1HD1  LEU  21          1HD1      LEU  21   1.083  11.744   0.986
  151   2HD1  LEU  21          2HD1      LEU  21   1.685  12.706   2.337
  152   3HD1  LEU  21          3HD1      LEU  21   1.013  13.505   0.915
  153   1HD2  LEU  21          1HD2      LEU  21  -1.182  12.645   0.181
  154   2HD2  LEU  21          2HD2      LEU  21  -2.451  12.659   1.407
  155   3HD2  LEU  21          3HD2      LEU  21  -1.570  11.170   1.068
  156    H    GLN  22           HN       GLN  22   1.673   8.254   2.654
  157    HA   GLN  22           HA       GLN  22   3.885   7.792   3.379
  158   1HB   GLN  22          2HB       GLN  22   3.739  10.288   1.825
  159   2HB   GLN  22          1HB       GLN  22   5.196  10.160   2.813
  160   1HG   GLN  22          2HG       GLN  22   4.686   7.615   1.589
  161   2HG   GLN  22          1HG       GLN  22   4.656   8.861   0.340
  162   1HE2  GLN  22          1HE2      GLN  22   6.769   6.755   1.670
  163   2HE2  GLN  22          2HE2      GLN  22   8.201   7.662   1.597
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1   3.305  -9.909  -2.056
    2   2H    GLY   1          2HT       GLY   1   2.472  -8.866  -3.109
    3   3H    GLY   1          3HT       GLY   1   3.207 -10.275  -3.709
    4   1HA   GLY   1          2HA       GLY   1   1.555 -11.630  -3.028
    5   2HA   GLY   1          1HA       GLY   1   1.231 -10.644  -1.601
    6    H    ARG   2           H        ARG   2  -0.215  -8.880  -1.784
    7    HA   ARG   2           HA       ARG   2  -2.041  -9.021  -4.103
    8   1HB   ARG   2          2HB       ARG   2  -2.001  -7.882  -1.339
    9   2HB   ARG   2          1HB       ARG   2  -3.110  -7.160  -2.505
   10   1HG   ARG   2          2HG       ARG   2  -4.110  -9.054  -1.175
   11   2HG   ARG   2          1HG       ARG   2  -4.172  -9.287  -2.922
   12   1HD   ARG   2          2HD       ARG   2  -3.406 -11.370  -1.951
   13   2HD   ARG   2          1HD       ARG   2  -1.989 -10.604  -2.696
   14    HE   ARG   2           HE       ARG   2  -2.328  -9.711   0.031
   15   1HH1  ARG   2          1HH1      ARG   2  -1.232 -12.303  -1.971
   16   2HH1  ARG   2          2HH1      ARG   2  -0.111 -12.906  -0.797
   17   1HH2  ARG   2          1HH2      ARG   2  -0.882 -10.499   1.574
   18   2HH2  ARG   2          2HH2      ARG   2   0.086 -11.888   1.208
   19    H    ASN   3           H        ASN   3  -1.756  -5.908  -2.612
   20    HA   ASN   3           HA       ASN   3  -0.129  -4.912  -4.925
   21   1HB   ASN   3          2HB       ASN   3  -2.202  -3.086  -3.960
   22   2HB   ASN   3          1HB       ASN   3  -1.782  -3.523  -5.613
   23   1HD2  ASN   3          1HD2      ASN   3  -3.484  -4.940  -2.760
   24   2HD2  ASN   3          2HD2      ASN   3  -4.622  -5.798  -3.680
   25    H    ASP   4           H        ASP   4   0.864  -5.339  -2.278
   26    HA   ASP   4           HA       ASP   4   0.953  -2.547  -1.209
   27   1HB   ASP   4          2HB       ASP   4   1.440  -5.269   0.009
   28   2HB   ASP   4          1HB       ASP   4   1.811  -3.772   0.855
   29    HA   PRO   5           HA       PRO   5   4.920  -3.570  -3.446
   30   1HB   PRO   5          2HB       PRO   5   5.079  -1.095  -4.641
   31   2HB   PRO   5          1HB       PRO   5   4.189  -2.456  -5.336
   32   1HG   PRO   5          2HG       PRO   5   3.133  -0.229  -3.636
   33   2HG   PRO   5          1HG       PRO   5   2.519  -0.819  -5.185
   34   1HD   PRO   5          2HD       PRO   5   1.351  -1.618  -2.966
   35   2HD   PRO   5          1HD       PRO   5   1.702  -2.803  -4.247
   36    H    CYS   6           H        CYS   6   5.496  -0.234  -3.299
   37    HA   CYS   6           HA       CYS   6   7.169   0.850  -2.034
   38   1HB   CYS   6          2HB       CYS   6   6.052   1.547   0.010
   39   2HB   CYS   6          1HB       CYS   6   4.848   1.300  -1.224
   40    HA   PRO   7           HA       PRO   7   9.459  -2.025   0.498
   41   1HB   PRO   7          2HB       PRO   7   9.820  -1.073   3.011
   42   2HB   PRO   7          1HB       PRO   7  10.520  -0.282   1.586
   43   1HG   PRO   7          2HG       PRO   7   8.364   0.590   3.300
   44   2HG   PRO   7          1HG       PRO   7   9.290   1.505   2.111
   45   1HD   PRO   7          2HD       PRO   7   6.650   0.318   1.861
   46   2HD   PRO   7          1HD       PRO   7   7.500   1.424   0.758
   47    H    CYS   8           H        CYS   8   6.389  -2.157   0.824
   48    HA   CYS   8           HA       CYS   8   6.214  -3.578   3.398
   49   1HB   CYS   8          2HB       CYS   8   4.198  -2.607   1.374
   50   2HB   CYS   8          1HB       CYS   8   3.741  -3.565   2.776
   51    H    GLY   9           H        GLY   9   5.425  -4.126  -0.052
   52   1HA   GLY   9          2HA       GLY   9   5.205  -6.122  -1.272
   53   2HA   GLY   9          1HA       GLY   9   6.453  -6.755  -0.198
   54    H    SER  10           H        SER  10   2.924  -6.224  -0.404
   55    HA   SER  10           HA       SER  10   2.366  -8.810   0.733
   56   1HB   SER  10          2HB       SER  10   1.734  -8.062   2.912
   57   2HB   SER  10          1HB       SER  10   3.334  -7.410   2.612
   58    HG   SER  10           HG       SER  10   2.512  -5.451   2.509
   59    H    GLY  11           H        GLY  11   0.067  -7.114   2.165
   60   1HA   GLY  11          2HA       GLY  11  -1.512  -6.228  -0.144
   61   2HA   GLY  11          1HA       GLY  11  -2.131  -7.657   0.684
   62    H    LYS  12           H        LYS  12  -3.258  -4.867   0.528
   63    HA   LYS  12           HA       LYS  12  -4.450  -3.458   2.000
   64   1HB   LYS  12          2HB       LYS  12  -3.913  -5.959   3.450
   65   2HB   LYS  12          1HB       LYS  12  -4.226  -4.575   4.496
   66   1HG   LYS  12          2HG       LYS  12  -6.009  -5.175   2.140
   67   2HG   LYS  12          1HG       LYS  12  -6.262  -5.965   3.696
   68   1HD   LYS  12          2HD       LYS  12  -6.170  -2.966   3.247
   69   2HD   LYS  12          1HD       LYS  12  -7.634  -3.916   3.502
   70   1HE   LYS  12          2HE       LYS  12  -6.496  -4.708   5.703
   71   2HE   LYS  12          1HE       LYS  12  -5.423  -3.314   5.468
   72   1HZ   LYS  12          1HZ       LYS  12  -7.165  -1.832   5.571
   73   2HZ   LYS  12          2HZ       LYS  12  -7.662  -2.988   6.710
   74   3HZ   LYS  12          3HZ       LYS  12  -8.332  -2.988   5.148
   75    H    LYS  13           H        LYS  13  -1.711  -4.711   3.826
   76    HA   LYS  13           HA       LYS  13  -0.903  -2.830   5.520
   77   1HB   LYS  13          2HB       LYS  13   0.526  -4.655   5.123
   78   2HB   LYS  13          1HB       LYS  13   0.645  -4.278   3.405
   79   1HG   LYS  13          2HG       LYS  13   2.720  -3.635   4.474
   80   2HG   LYS  13          1HG       LYS  13   1.861  -2.171   4.009
   81   1HD   LYS  13          2HD       LYS  13   2.614  -1.798   6.246
   82   2HD   LYS  13          1HD       LYS  13   0.890  -2.147   6.370
   83   1HE   LYS  13          2HE       LYS  13   1.256  -4.081   7.524
   84   2HE   LYS  13          1HE       LYS  13   2.614  -4.545   6.480
   85   1HZ   LYS  13          1HZ       LYS  13   2.980  -3.687   8.951
   86   2HZ   LYS  13          2HZ       LYS  13   2.969  -2.184   8.158
   87   3HZ   LYS  13          3HZ       LYS  13   4.095  -3.376   7.711
   88    H    TYR  14           H        TYR  14   0.318  -2.511   2.262
   89    HA   TYR  14           HA       TYR  14   1.376  -0.012   2.208
   90   1HB   TYR  14          2HB       TYR  14   1.024  -1.673   0.368
   91   2HB   TYR  14          1HB       TYR  14  -0.613  -1.048   0.187
   92    HD1  TYR  14           HD1      TYR  14  -0.688   1.677   0.120
   93    HD2  TYR  14           HD2      TYR  14   2.646  -0.769  -1.042
   94    HE1  TYR  14           HE1      TYR  14   0.197   3.530  -1.258
   95    HE2  TYR  14           HE2      TYR  14   3.523   1.085  -2.424
   96    HH   TYR  14           HH       TYR  14   3.084   3.910  -2.193
   97    H    LYS  15           H        LYS  15  -2.159  -0.562   1.710
   98    HA   LYS  15           HA       LYS  15  -2.921   2.114   1.531
   99   1HB   LYS  15          2HB       LYS  15  -5.039   1.262   1.710
  100   2HB   LYS  15          1HB       LYS  15  -4.183  -0.267   1.553
  101   1HG   LYS  15          2HG       LYS  15  -4.392  -0.763   3.810
  102   2HG   LYS  15          1HG       LYS  15  -4.572   0.919   4.284
  103   1HD   LYS  15          2HD       LYS  15  -6.659  -0.161   2.474
  104   2HD   LYS  15          1HD       LYS  15  -6.672  -0.750   4.138
  105   1HE   LYS  15          2HE       LYS  15  -6.859   1.488   5.019
  106   2HE   LYS  15          1HE       LYS  15  -6.552   2.199   3.423
  107   1HZ   LYS  15          1HZ       LYS  15  -8.889   2.169   3.703
  108   2HZ   LYS  15          2HZ       LYS  15  -8.881   0.563   4.257
  109   3HZ   LYS  15          3HZ       LYS  15  -8.527   0.905   2.631
  110    H    GLN  16           H        GLN  16  -2.343   0.172   4.447
  111    HA   GLN  16           HA       GLN  16  -2.902   2.378   6.287
  112   1HB   GLN  16          2HB       GLN  16  -1.288  -0.100   6.894
  113   2HB   GLN  16          1HB       GLN  16  -2.406   0.764   7.944
  114   1HG   GLN  16          2HG       GLN  16  -3.953  -0.023   5.739
  115   2HG   GLN  16          1HG       GLN  16  -2.940  -1.416   6.108
  116   1HE2  GLN  16          1HE2      GLN  16  -4.349   1.063   8.312
  117   2HE2  GLN  16          2HE2      GLN  16  -5.180  -0.058   9.279
  118    H    CYS  17           H        CYS  17  -0.188   1.347   4.403
  119    HA   CYS  17           HA       CYS  17   1.718   2.876   6.126
  120   1HB   CYS  17          2HB       CYS  17   2.352   0.601   5.593
  121   2HB   CYS  17          1HB       CYS  17   2.020   0.858   3.880
  122    H    HIS  18           H        HIS  18   1.293   2.385   2.597
  123    HA   HIS  18           HA       HIS  18   2.064   5.245   2.213
  124   1HB   HIS  18          2HB       HIS  18   2.264   2.734   0.556
  125   2HB   HIS  18          1HB       HIS  18   2.532   4.333  -0.141
  126    HD1  HIS  18           HD1      HIS  18   5.042   3.116  -0.388
  127    HD2  HIS  18           HD2      HIS  18   3.873   4.397   3.401
  128    HE1  HIS  18           HE1      HIS  18   7.156   3.275   0.998
  129    H    GLY  19           H        GLY  19  -0.718   3.619   2.530
  130   1HA   GLY  19          2HA       GLY  19  -2.153   4.216   0.111
  131   2HA   GLY  19          1HA       GLY  19  -2.887   3.893   1.679
  132    H    ARG  20           H        ARG  20  -1.004   6.200   2.648
  133    HA   ARG  20           HA       ARG  20  -1.295   8.501   3.091
  134   1HB   ARG  20          2HB       ARG  20  -0.736   8.544   0.678
  135   2HB   ARG  20          1HB       ARG  20  -2.444   8.344   0.283
  136   1HG   ARG  20          2HG       ARG  20  -2.208  10.509   2.137
  137   2HG   ARG  20          1HG       ARG  20  -1.045  10.768   0.837
  138   1HD   ARG  20          2HD       ARG  20  -3.676   9.835  -0.111
  139   2HD   ARG  20          1HD       ARG  20  -3.709  11.430   0.667
  140    HE   ARG  20           HE       ARG  20  -2.246  12.256  -1.035
  141   1HH1  ARG  20          1HH1      ARG  20  -3.765  10.637  -2.950
  142   2HH1  ARG  20          2HH1      ARG  20  -2.547   9.669  -3.708
  143   1HH2  ARG  20          1HH2      ARG  20  -0.187  10.224  -1.227
  144   2HH2  ARG  20          2HH2      ARG  20  -0.519   9.434  -2.732
  145    H    LEU  21           H        LEU  21  -2.871   8.641   4.700
  146    HA   LEU  21           HA       LEU  21  -5.722   8.214   4.032
  147   1HB   LEU  21          2HB       LEU  21  -4.365   9.028   6.622
  148   2HB   LEU  21          1HB       LEU  21  -5.986   8.357   6.450
  149    HG   LEU  21           HG       LEU  21  -4.215   6.566   5.138
  150   1HD1  LEU  21          1HD1      LEU  21  -2.296   7.272   6.291
  151   2HD1  LEU  21          2HD1      LEU  21  -2.902   5.975   7.320
  152   3HD1  LEU  21          3HD1      LEU  21  -3.201   7.658   7.755
  153   1HD2  LEU  21          1HD2      LEU  21  -5.165   5.944   7.881
  154   2HD2  LEU  21          2HD2      LEU  21  -5.396   5.046   6.379
  155   3HD2  LEU  21          3HD2      LEU  21  -6.410   6.445   6.736
  156    H    GLN  22           HN       GLN  22  -5.548  10.226   2.527
  157    HA   GLN  22           HA       GLN  22  -6.321  12.634   4.119
  158   1HB   GLN  22          2HB       GLN  22  -3.992  12.208   2.347
  159   2HB   GLN  22          1HB       GLN  22  -4.885  13.698   2.040
  160   1HG   GLN  22          2HG       GLN  22  -3.839  12.816   4.747
  161   2HG   GLN  22          1HG       GLN  22  -3.094  14.043   3.718
  162   1HE2  GLN  22          1HE2      GLN  22  -5.572  15.273   2.796
  163   2HE2  GLN  22          2HE2      GLN  22  -6.266  16.069   4.124
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -1.442 -12.054  -0.948
    2   2H    GLY   1          2HT       GLY   1  -0.421 -11.517  -2.196
    3   3H    GLY   1          3HT       GLY   1  -2.101 -11.582  -2.438
    4   1HA   GLY   1          2HA       GLY   1  -2.057  -9.987  -0.335
    5   2HA   GLY   1          1HA       GLY   1  -0.494  -9.591  -1.050
    6    H    ARG   2           H        ARG   2  -2.555  -7.696  -0.994
    7    HA   ARG   2           HA       ARG   2  -3.916  -7.689  -3.602
    8   1HB   ARG   2          2HB       ARG   2  -3.684  -5.661  -1.352
    9   2HB   ARG   2          1HB       ARG   2  -4.804  -5.541  -2.710
   10   1HG   ARG   2          2HG       ARG   2  -4.743  -7.930  -0.854
   11   2HG   ARG   2          1HG       ARG   2  -5.770  -6.525  -0.563
   12   1HD   ARG   2          2HD       ARG   2  -6.793  -6.846  -2.826
   13   2HD   ARG   2          1HD       ARG   2  -5.835  -8.331  -3.005
   14    HE   ARG   2           HE       ARG   2  -6.995  -9.208  -0.981
   15   1HH1  ARG   2          1HH1      ARG   2  -7.977  -6.057  -1.098
   16   2HH1  ARG   2          2HH1      ARG   2  -9.680  -6.376  -1.074
   17   1HH2  ARG   2          1HH2      ARG   2  -9.317  -9.788  -1.559
   18   2HH2  ARG   2          2HH2      ARG   2 -10.439  -8.488  -1.334
   19    H    ASN   3           H        ASN   3  -2.604  -4.667  -2.487
   20    HA   ASN   3           HA       ASN   3  -0.470  -4.750  -4.587
   21   1HB   ASN   3          2HB       ASN   3  -1.932  -2.202  -4.296
   22   2HB   ASN   3          1HB       ASN   3  -1.405  -3.026  -5.759
   23   1HD2  ASN   3          1HD2      ASN   3  -3.969  -3.149  -3.238
   24   2HD2  ASN   3          2HD2      ASN   3  -5.140  -3.850  -4.250
   25    H    ASP   4           H        ASP   4   0.613  -5.042  -2.267
   26    HA   ASP   4           HA       ASP   4   1.038  -2.324  -1.094
   27   1HB   ASP   4          2HB       ASP   4   1.492  -5.108   0.003
   28   2HB   ASP   4          1HB       ASP   4   1.777  -3.619   0.896
   29    HA   PRO   5           HA       PRO   5   4.849  -3.529  -3.508
   30   1HB   PRO   5          2HB       PRO   5   5.119  -1.066  -4.690
   31   2HB   PRO   5          1HB       PRO   5   4.105  -2.352  -5.361
   32   1HG   PRO   5          2HG       PRO   5   3.290  -0.047  -3.629
   33   2HG   PRO   5          1HG       PRO   5   2.553  -0.618  -5.133
   34   1HD   PRO   5          2HD       PRO   5   1.491  -1.281  -2.798
   35   2HD   PRO   5          1HD       PRO   5   1.584  -2.470  -4.114
   36    H    CYS   6           H        CYS   6   5.605  -0.225  -3.365
   37    HA   CYS   6           HA       CYS   6   7.375   0.774  -2.150
   38   1HB   CYS   6          2HB       CYS   6   6.318   1.539  -0.099
   39   2HB   CYS   6          1HB       CYS   6   5.083   1.325  -1.303
   40    HA   PRO   7           HA       PRO   7   9.582  -2.164   0.381
   41   1HB   PRO   7          2HB       PRO   7  10.040  -1.159   2.861
   42   2HB   PRO   7          1HB       PRO   7  10.743  -0.444   1.398
   43   1HG   PRO   7          2HG       PRO   7   8.680   0.586   3.132
   44   2HG   PRO   7          1HG       PRO   7   9.600   1.412   1.874
   45   1HD   PRO   7          2HD       PRO   7   6.910   0.303   1.762
   46   2HD   PRO   7          1HD       PRO   7   7.749   1.361   0.607
   47    H    CYS   8           H        CYS   8   6.520  -2.171   0.771
   48    HA   CYS   8           HA       CYS   8   6.362  -3.545   3.377
   49   1HB   CYS   8          2HB       CYS   8   4.311  -2.534   1.400
   50   2HB   CYS   8          1HB       CYS   8   3.877  -3.426   2.854
   51    H    GLY   9           H        GLY   9   5.683  -4.071  -0.076
   52   1HA   GLY   9          2HA       GLY   9   5.282  -6.050  -1.284
   53   2HA   GLY   9          1HA       GLY   9   6.549  -6.714  -0.253
   54    H    SER  10           H        SER  10   3.032  -6.065  -0.281
   55    HA   SER  10           HA       SER  10   2.482  -8.685   0.816
   56   1HB   SER  10          2HB       SER  10   1.811  -7.909   2.988
   57   2HB   SER  10          1HB       SER  10   3.437  -7.314   2.706
   58    HG   SER  10           HG       SER  10   2.681  -5.359   2.794
   59    H    GLY  11           H        GLY  11   0.144  -7.218   2.234
   60   1HA   GLY  11          2HA       GLY  11  -1.428  -6.269  -0.080
   61   2HA   GLY  11          1HA       GLY  11  -2.031  -7.688   0.780
   62    H    LYS  12           H        LYS  12  -3.096  -4.849   0.558
   63    HA   LYS  12           HA       LYS  12  -4.290  -3.412   1.993
   64   1HB   LYS  12          2HB       LYS  12  -3.883  -5.933   3.437
   65   2HB   LYS  12          1HB       LYS  12  -4.170  -4.549   4.491
   66   1HG   LYS  12          2HG       LYS  12  -6.329  -4.330   3.817
   67   2HG   LYS  12          1HG       LYS  12  -5.937  -4.672   2.132
   68   1HD   LYS  12          2HD       LYS  12  -7.347  -6.460   3.052
   69   2HD   LYS  12          1HD       LYS  12  -5.738  -7.082   2.684
   70   1HE   LYS  12          2HE       LYS  12  -6.276  -7.923   4.869
   71   2HE   LYS  12          1HE       LYS  12  -5.158  -6.573   5.148
   72   1HZ   LYS  12          1HZ       LYS  12  -6.750  -5.502   6.244
   73   2HZ   LYS  12          2HZ       LYS  12  -7.809  -6.811   6.021
   74   3HZ   LYS  12          3HZ       LYS  12  -7.763  -5.550   4.883
   75    H    LYS  13           H        LYS  13  -1.597  -4.728   3.862
   76    HA   LYS  13           HA       LYS  13  -0.852  -2.854   5.604
   77   1HB   LYS  13          2HB       LYS  13   0.521  -4.769   5.168
   78   2HB   LYS  13          1HB       LYS  13   0.865  -4.204   3.534
   79   1HG   LYS  13          2HG       LYS  13   2.785  -3.462   4.544
   80   2HG   LYS  13          1HG       LYS  13   1.767  -2.074   4.911
   81   1HD   LYS  13          2HD       LYS  13   1.124  -3.677   6.998
   82   2HD   LYS  13          1HD       LYS  13   2.780  -4.211   6.710
   83   1HE   LYS  13          2HE       LYS  13   3.039  -1.468   6.545
   84   2HE   LYS  13          1HE       LYS  13   1.820  -1.660   7.821
   85   1HZ   LYS  13          1HZ       LYS  13   4.369  -3.184   7.678
   86   2HZ   LYS  13          2HZ       LYS  13   3.220  -3.248   8.928
   87   3HZ   LYS  13          3HZ       LYS  13   4.120  -1.832   8.670
   88    H    TYR  14           H        TYR  14   0.162  -2.518   2.261
   89    HA   TYR  14           HA       TYR  14   1.278   0.035   2.343
   90   1HB   TYR  14          2HB       TYR  14   1.104  -1.627   0.486
   91   2HB   TYR  14          1HB       TYR  14  -0.550  -1.082   0.222
   92    HD1  TYR  14           HD1      TYR  14  -0.694   1.678   0.236
   93    HD2  TYR  14           HD2      TYR  14   2.701  -0.679  -0.937
   94    HE1  TYR  14           HE1      TYR  14   0.169   3.579  -1.084
   95    HE2  TYR  14           HE2      TYR  14   3.554   1.225  -2.267
   96    HH   TYR  14           HH       TYR  14   2.541   4.322  -1.907
   97    H    LYS  15           H        LYS  15  -2.166  -0.733   1.649
   98    HA   LYS  15           HA       LYS  15  -3.221   1.827   1.432
   99   1HB   LYS  15          2HB       LYS  15  -4.106  -0.839   2.120
  100   2HB   LYS  15          1HB       LYS  15  -4.984   0.347   3.089
  101   1HG   LYS  15          2HG       LYS  15  -4.630   0.895   0.169
  102   2HG   LYS  15          1HG       LYS  15  -5.820  -0.314   0.652
  103   1HD   LYS  15          2HD       LYS  15  -6.935   1.300   2.100
  104   2HD   LYS  15          1HD       LYS  15  -5.702   2.512   1.745
  105   1HE   LYS  15          2HE       LYS  15  -6.411   2.732  -0.520
  106   2HE   LYS  15          1HE       LYS  15  -7.373   1.242  -0.442
  107   1HZ   LYS  15          1HZ       LYS  15  -8.336   3.726   0.050
  108   2HZ   LYS  15          2HZ       LYS  15  -8.015   3.154   1.617
  109   3HZ   LYS  15          3HZ       LYS  15  -9.049   2.284   0.587
  110    H    GLN  16           H        GLN  16  -2.563   0.034   4.438
  111    HA   GLN  16           HA       GLN  16  -3.272   2.319   6.140
  112   1HB   GLN  16          2HB       GLN  16  -1.833  -0.251   6.857
  113   2HB   GLN  16          1HB       GLN  16  -2.838   0.748   7.907
  114   1HG   GLN  16          2HG       GLN  16  -3.814  -0.801   5.483
  115   2HG   GLN  16          1HG       GLN  16  -4.076  -1.252   7.167
  116   1HE2  GLN  16          1HE2      GLN  16  -5.885  -0.354   8.199
  117   2HE2  GLN  16          2HE2      GLN  16  -6.834   0.895   7.551
  118    H    CYS  17           H        CYS  17  -0.456   1.112   4.534
  119    HA   CYS  17           HA       CYS  17   1.415   2.599   6.304
  120   1HB   CYS  17          2HB       CYS  17   2.151   0.422   5.663
  121   2HB   CYS  17          1HB       CYS  17   1.633   0.655   4.000
  122    H    HIS  18           H        HIS  18   1.169   2.298   2.748
  123    HA   HIS  18           HA       HIS  18   1.786   5.211   2.527
  124   1HB   HIS  18          2HB       HIS  18   2.166   2.791   0.776
  125   2HB   HIS  18          1HB       HIS  18   2.345   4.425   0.139
  126    HD1  HIS  18           HD1      HIS  18   4.630   2.187   0.671
  127    HD2  HIS  18           HD2      HIS  18   3.914   5.613   2.916
  128    HE1  HIS  18           HE1      HIS  18   6.809   2.740   1.827
  129    H    GLY  19           H        GLY  19  -0.914   3.369   2.618
  130   1HA   GLY  19          2HA       GLY  19  -2.287   3.998   0.194
  131   2HA   GLY  19          1HA       GLY  19  -3.072   3.636   1.732
  132    H    ARG  20           H        ARG  20  -1.472   5.914   2.968
  133    HA   ARG  20           HA       ARG  20  -3.474   7.975   2.669
  134   1HB   ARG  20          2HB       ARG  20  -2.107   9.118   4.278
  135   2HB   ARG  20          1HB       ARG  20  -1.954   7.402   4.654
  136   1HG   ARG  20          2HG       ARG  20   0.053   7.735   2.816
  137   2HG   ARG  20          1HG       ARG  20   0.075   9.290   3.647
  138   1HD   ARG  20          2HD       ARG  20   0.299   6.547   4.935
  139   2HD   ARG  20          1HD       ARG  20   1.553   7.802   4.866
  140    HE   ARG  20           HE       ARG  20  -0.021   9.241   6.223
  141   1HH1  ARG  20          1HH2      ARG  20   0.996   6.890   7.850
  142   2HH1  ARG  20          2HH2      ARG  20  -0.468   6.316   8.573
  143   1HH2  ARG  20          1HH1      ARG  20  -2.536   8.045   6.389
  144   2HH2  ARG  20          2HH1      ARG  20  -2.470   6.974   7.750
  145    H    LEU  21           H        LEU  21  -1.307  10.111   2.702
  146    HA   LEU  21           HA       LEU  21  -1.410  10.848  -0.076
  147   1HB   LEU  21          2HB       LEU  21  -0.686  11.929   2.444
  148   2HB   LEU  21          1HB       LEU  21   0.728  12.107   1.404
  149    HG   LEU  21           HG       LEU  21  -1.565  12.768  -0.151
  150   1HD1  LEU  21          1HD1      LEU  21  -1.702  14.885   1.741
  151   2HD1  LEU  21          2HD1      LEU  21  -1.917  13.379   2.634
  152   3HD1  LEU  21          3HD1      LEU  21  -2.983  13.763   1.284
  153   1HD2  LEU  21          1HD2      LEU  21   0.298  13.931  -0.801
  154   2HD2  LEU  21          2HD2      LEU  21   0.939  14.018   0.839
  155   3HD2  LEU  21          3HD2      LEU  21  -0.325  15.136   0.326
  156    H    GLN  22           HN       GLN  22  -0.502   8.575  -0.745
  157    HA   GLN  22           HA       GLN  22   1.283   7.347  -1.697
  158   1HB   GLN  22          2HB       GLN  22   2.211  10.216  -1.618
  159   2HB   GLN  22          1HB       GLN  22   3.262   8.954  -2.261
  160   1HG   GLN  22          2HG       GLN  22   0.619   8.614  -3.341
  161   2HG   GLN  22          1HG       GLN  22   1.137  10.281  -3.594
  162   1HE2  GLN  22          1HE2      GLN  22   1.130   7.435  -5.194
  163   2HE2  GLN  22          2HE2      GLN  22   2.587   7.560  -6.058
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -3.417 -10.909  -0.510
    2   2H    GLY   1          2HT       GLY   1  -3.006 -10.202   0.978
    3   3H    GLY   1          3HT       GLY   1  -2.212 -11.611   0.454
    4   1HA   GLY   1          2HA       GLY   1  -1.421  -8.992   0.055
    5   2HA   GLY   1          1HA       GLY   1  -0.695 -10.445  -0.628
    6    H    ARG   2           H        ARG   2  -1.757  -7.553  -1.585
    7    HA   ARG   2           HA       ARG   2  -2.624  -8.610  -4.248
    8   1HB   ARG   2          2HB       ARG   2  -4.050  -6.935  -2.312
    9   2HB   ARG   2          1HB       ARG   2  -4.002  -6.238  -3.925
   10   1HG   ARG   2          2HG       ARG   2  -4.736  -9.135  -3.525
   11   2HG   ARG   2          1HG       ARG   2  -5.949  -7.863  -3.383
   12   1HD   ARG   2          2HD       ARG   2  -5.933  -7.414  -5.637
   13   2HD   ARG   2          1HD       ARG   2  -4.191  -7.719  -5.783
   14    HE   ARG   2           HE       ARG   2  -5.029 -10.215  -5.273
   15   1HH1  ARG   2          1HH1      ARG   2  -7.725  -8.729  -6.160
   16   2HH1  ARG   2          2HH1      ARG   2  -7.882  -9.412  -7.744
   17   1HH2  ARG   2          1HH2      ARG   2  -4.663 -10.690  -7.809
   18   2HH2  ARG   2          2HH2      ARG   2  -6.157 -10.524  -8.671
   19    H    ASN   3           H        ASN   3  -2.347  -5.274  -2.994
   20    HA   ASN   3           HA       ASN   3  -0.078  -4.908  -4.904
   21   1HB   ASN   3          2HB       ASN   3  -1.810  -2.578  -4.436
   22   2HB   ASN   3          1HB       ASN   3  -1.160  -3.205  -5.947
   23   1HD2  ASN   3          1HD2      ASN   3  -2.309  -5.182  -6.868
   24   2HD2  ASN   3          2HD2      ASN   3  -3.972  -5.351  -6.580
   25    H    ASP   4           H        ASP   4   0.827  -5.292  -2.402
   26    HA   ASP   4           HA       ASP   4   1.058  -2.549  -1.208
   27   1HB   ASP   4          2HB       ASP   4   1.385  -5.348  -0.141
   28   2HB   ASP   4          1HB       ASP   4   1.911  -3.943   0.774
   29    HA   PRO   5           HA       PRO   5   4.990  -3.672  -3.482
   30   1HB   PRO   5          2HB       PRO   5   5.271  -1.202  -4.646
   31   2HB   PRO   5          1HB       PRO   5   4.299  -2.499  -5.352
   32   1HG   PRO   5          2HG       PRO   5   3.392  -0.217  -3.641
   33   2HG   PRO   5          1HG       PRO   5   2.720  -0.787  -5.175
   34   1HD   PRO   5          2HD       PRO   5   1.578  -1.478  -2.890
   35   2HD   PRO   5          1HD       PRO   5   1.751  -2.663  -4.205
   36    H    CYS   6           H        CYS   6   5.758  -0.389  -3.322
   37    HA   CYS   6           HA       CYS   6   7.497   0.603  -2.063
   38   1HB   CYS   6          2HB       CYS   6   6.400   1.392  -0.033
   39   2HB   CYS   6          1HB       CYS   6   5.196   1.207  -1.273
   40    HA   PRO   7           HA       PRO   7   9.558  -2.383   0.534
   41   1HB   PRO   7          2HB       PRO   7   9.981  -1.393   3.024
   42   2HB   PRO   7          1HB       PRO   7  10.738  -0.694   1.581
   43   1HG   PRO   7          2HG       PRO   7   8.654   0.386   3.262
   44   2HG   PRO   7          1HG       PRO   7   9.635   1.191   2.036
   45   1HD   PRO   7          2HD       PRO   7   6.918   0.165   1.836
   46   2HD   PRO   7          1HD       PRO   7   7.828   1.195   0.707
   47    H    CYS   8           H        CYS   8   6.502  -2.354   0.801
   48    HA   CYS   8           HA       CYS   8   6.201  -3.664   3.427
   49   1HB   CYS   8          2HB       CYS   8   4.288  -2.640   1.331
   50   2HB   CYS   8          1HB       CYS   8   3.739  -3.557   2.726
   51    H    GLY   9           H        GLY   9   5.469  -4.288  -0.030
   52   1HA   GLY   9          2HA       GLY   9   5.138  -6.320  -1.171
   53   2HA   GLY   9          1HA       GLY   9   6.362  -6.962  -0.076
   54    H    SER  10           H        SER  10   2.860  -6.332  -0.327
   55    HA   SER  10           HA       SER  10   2.187  -8.847   0.877
   56   1HB   SER  10          2HB       SER  10   1.643  -8.078   3.039
   57   2HB   SER  10          1HB       SER  10   3.211  -7.363   2.709
   58    HG   SER  10           HG       SER  10   2.309  -5.467   2.763
   59    H    GLY  11           H        GLY  11  -0.069  -7.127   2.263
   60   1HA   GLY  11          2HA       GLY  11  -1.579  -6.209  -0.099
   61   2HA   GLY  11          1HA       GLY  11  -2.278  -7.542   0.820
   62    H    LYS  12           H        LYS  12  -3.087  -4.616   0.450
   63    HA   LYS  12           HA       LYS  12  -4.213  -3.042   1.800
   64   1HB   LYS  12          2HB       LYS  12  -3.694  -5.015   4.023
   65   2HB   LYS  12          1HB       LYS  12  -5.012  -3.850   3.912
   66   1HG   LYS  12          2HG       LYS  12  -6.031  -5.030   2.101
   67   2HG   LYS  12          1HG       LYS  12  -4.609  -6.048   1.873
   68   1HD   LYS  12          2HD       LYS  12  -6.064  -6.038   4.506
   69   2HD   LYS  12          1HD       LYS  12  -6.642  -7.033   3.168
   70   1HE   LYS  12          2HE       LYS  12  -4.876  -8.487   3.322
   71   2HE   LYS  12          1HE       LYS  12  -3.726  -7.196   3.724
   72   1HZ   LYS  12          1HZ       LYS  12  -5.853  -7.673   5.649
   73   2HZ   LYS  12          2HZ       LYS  12  -4.216  -7.298   5.910
   74   3HZ   LYS  12          3HZ       LYS  12  -4.676  -8.890   5.538
   75    H    LYS  13           H        LYS  13  -1.675  -4.492   3.775
   76    HA   LYS  13           HA       LYS  13  -0.800  -2.677   5.494
   77   1HB   LYS  13          2HB       LYS  13   0.459  -4.666   5.025
   78   2HB   LYS  13          1HB       LYS  13   0.827  -4.097   3.397
   79   1HG   LYS  13          2HG       LYS  13   2.794  -3.534   4.463
   80   2HG   LYS  13          1HG       LYS  13   1.885  -2.050   4.725
   81   1HD   LYS  13          2HD       LYS  13   1.594  -2.458   6.964
   82   2HD   LYS  13          1HD       LYS  13   1.509  -4.206   6.740
   83   1HE   LYS  13          2HE       LYS  13   3.945  -4.305   6.392
   84   2HE   LYS  13          1HE       LYS  13   4.050  -2.542   6.569
   85   1HZ   LYS  13          1HZ       LYS  13   4.478  -3.621   8.686
   86   2HZ   LYS  13          2HZ       LYS  13   2.995  -4.444   8.598
   87   3HZ   LYS  13          3HZ       LYS  13   3.023  -2.753   8.761
   88    H    TYR  14           H        TYR  14   0.188  -2.388   2.147
   89    HA   TYR  14           HA       TYR  14   1.473   0.082   2.179
   90   1HB   TYR  14          2HB       TYR  14   1.102  -1.588   0.336
   91   2HB   TYR  14          1HB       TYR  14  -0.507  -0.905   0.130
   92    HD1  TYR  14           HD1      TYR  14   2.813  -0.729  -1.007
   93    HD2  TYR  14           HD2      TYR  14  -0.516   1.792   0.005
   94    HE1  TYR  14           HE1      TYR  14   3.769   1.090  -2.387
   95    HE2  TYR  14           HE2      TYR  14   0.445   3.609  -1.373
   96    HH   TYR  14           HH       TYR  14   3.651   3.423  -2.702
   97    H    LYS  15           H        LYS  15  -2.040  -0.462   1.658
   98    HA   LYS  15           HA       LYS  15  -2.942   2.155   1.417
   99   1HB   LYS  15          2HB       LYS  15  -4.197   0.019   3.171
  100   2HB   LYS  15          1HB       LYS  15  -5.036   1.311   2.317
  101   1HG   LYS  15          2HG       LYS  15  -3.683  -1.126   1.156
  102   2HG   LYS  15          1HG       LYS  15  -5.352  -0.601   0.954
  103   1HD   LYS  15          2HD       LYS  15  -4.045   1.571  -0.023
  104   2HD   LYS  15          1HD       LYS  15  -2.912   0.293  -0.465
  105   1HE   LYS  15          2HE       LYS  15  -4.270  -0.348  -2.159
  106   2HE   LYS  15          1HE       LYS  15  -5.611  -0.581  -1.021
  107   1HZ   LYS  15          1HZ       LYS  15  -4.749   2.111  -1.898
  108   2HZ   LYS  15          2HZ       LYS  15  -6.210   1.663  -1.154
  109   3HZ   LYS  15          3HZ       LYS  15  -5.903   1.224  -2.765
  110    H    GLN  16           H        GLN  16  -2.314   0.392   4.455
  111    HA   GLN  16           HA       GLN  16  -2.827   2.713   6.149
  112   1HB   GLN  16          2HB       GLN  16  -1.322   0.159   6.793
  113   2HB   GLN  16          1HB       GLN  16  -2.210   1.189   7.914
  114   1HG   GLN  16          2HG       GLN  16  -3.467  -0.364   5.629
  115   2HG   GLN  16          1HG       GLN  16  -3.475  -0.869   7.317
  116   1HE2  GLN  16          1HE2      GLN  16  -5.941  -0.408   6.037
  117   2HE2  GLN  16          2HE2      GLN  16  -6.647   1.002   6.664
  118    H    CYS  17           H        CYS  17  -0.185   1.629   4.273
  119    HA   CYS  17           HA       CYS  17   1.811   3.106   5.928
  120   1HB   CYS  17          2HB       CYS  17   2.349   0.816   5.345
  121   2HB   CYS  17          1HB       CYS  17   1.967   1.112   3.651
  122    H    HIS  18           H        HIS  18   1.420   2.593   2.417
  123    HA   HIS  18           HA       HIS  18   2.150   5.458   2.004
  124   1HB   HIS  18          2HB       HIS  18   2.445   2.916   0.425
  125   2HB   HIS  18          1HB       HIS  18   2.717   4.495  -0.311
  126    HD1  HIS  18           HD1      HIS  18   4.670   1.955   0.885
  127    HD2  HIS  18           HD2      HIS  18   4.519   5.984   1.924
  128    HE1  HIS  18           HE1      HIS  18   6.912   2.505   1.916
  129    H    GLY  19           H        GLY  19  -0.668   3.828   2.214
  130   1HA   GLY  19          2HA       GLY  19  -1.809   5.055  -0.261
  131   2HA   GLY  19          1HA       GLY  19  -2.557   3.732   0.627
  132    H    ARG  20           H        ARG  20  -1.239   6.076   2.684
  133    HA   ARG  20           HA       ARG  20  -2.492   7.236   4.387
  134   1HB   ARG  20          2HB       ARG  20  -3.140   9.417   3.258
  135   2HB   ARG  20          1HB       ARG  20  -1.498   8.868   2.936
  136   1HG   ARG  20          2HG       ARG  20  -2.486   7.749   0.827
  137   2HG   ARG  20          1HG       ARG  20  -3.899   8.759   1.109
  138   1HD   ARG  20          2HD       ARG  20  -1.832  10.571   1.359
  139   2HD   ARG  20          1HD       ARG  20  -1.253   9.501   0.066
  140    HE   ARG  20           HE       ARG  20  -3.878  10.933   0.017
  141   1HH1  ARG  20          1HH1      ARG  20  -2.433   8.333  -1.458
  142   2HH1  ARG  20          2HH1      ARG  20  -2.515   8.956  -3.072
  143   1HH2  ARG  20          1HH2      ARG  20  -3.513  12.126  -2.079
  144   2HH2  ARG  20          2HH2      ARG  20  -3.124  11.104  -3.423
  145    H    LEU  21           H        LEU  21  -4.265   5.790   4.929
  146    HA   LEU  21           HA       LEU  21  -6.680   5.448   3.512
  147   1HB   LEU  21          2HB       LEU  21  -7.582   5.040   5.860
  148   2HB   LEU  21          1HB       LEU  21  -6.120   4.138   5.458
  149    HG   LEU  21           HG       LEU  21  -5.482   6.764   6.536
  150   1HD1  LEU  21          1HD1      LEU  21  -6.170   5.867   8.925
  151   2HD1  LEU  21          2HD1      LEU  21  -7.408   5.002   8.015
  152   3HD1  LEU  21          3HD1      LEU  21  -7.331   6.762   7.947
  153   1HD2  LEU  21          1HD2      LEU  21  -4.450   4.933   8.257
  154   2HD2  LEU  21          2HD2      LEU  21  -3.705   5.328   6.708
  155   3HD2  LEU  21          3HD2      LEU  21  -4.738   3.906   6.852
  156    H    GLN  22           HN       GLN  22  -7.194   7.558   2.561
  157    HA   GLN  22           HA       GLN  22  -8.246   9.679   2.531
  158   1HB   GLN  22          2HB       GLN  22  -9.589   7.819   4.266
  159   2HB   GLN  22          1HB       GLN  22  -9.754   9.440   4.937
  160   1HG   GLN  22          2HG       GLN  22 -10.132   9.420   2.042
  161   2HG   GLN  22          1HG       GLN  22 -11.279   8.362   2.865
  162   1HE2  GLN  22          1HE2      GLN  22 -12.243  10.726   1.653
  163   2HE2  GLN  22          2HE2      GLN  22 -12.707  11.825   2.861
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -7.510  -8.430  -4.559
    2   2H    GLY   1          2HT       GLY   1  -5.824  -8.371  -4.767
    3   3H    GLY   1          3HT       GLY   1  -6.714  -6.933  -4.603
    4   1HA   GLY   1          2HA       GLY   1  -6.813  -7.061  -2.379
    5   2HA   GLY   1          1HA       GLY   1  -7.012  -8.812  -2.420
    6    H    ARG   2           H        ARG   2  -4.400  -7.092  -4.067
    7    HA   ARG   2           HA       ARG   2  -2.445  -7.751  -1.952
    8   1HB   ARG   2          2HB       ARG   2  -2.946  -9.350  -4.393
    9   2HB   ARG   2          1HB       ARG   2  -1.256  -9.029  -4.030
   10   1HG   ARG   2          2HG       ARG   2  -2.753  -9.792  -1.643
   11   2HG   ARG   2          1HG       ARG   2  -2.796 -11.044  -2.886
   12   1HD   ARG   2          2HD       ARG   2  -0.252 -10.714  -3.094
   13   2HD   ARG   2          1HD       ARG   2  -0.365  -9.814  -1.569
   14    HE   ARG   2           HE       ARG   2  -1.461 -11.880  -0.604
   15   1HH1  ARG   2          1HH1      ARG   2   1.255 -11.940  -2.571
   16   2HH1  ARG   2          2HH1      ARG   2   1.270 -13.656  -2.801
   17   1HH2  ARG   2          1HH2      ARG   2  -1.809 -14.153  -1.285
   18   2HH2  ARG   2          2HH2      ARG   2  -0.467 -14.908  -2.076
   19    H    ASN   3           H        ASN   3  -2.400  -5.262  -2.405
   20    HA   ASN   3           HA       ASN   3  -0.468  -4.824  -4.647
   21   1HB   ASN   3          2HB       ASN   3  -2.143  -2.524  -3.872
   22   2HB   ASN   3          1HB       ASN   3  -1.714  -3.105  -5.478
   23   1HD2  ASN   3          1HD2      ASN   3  -3.820  -4.090  -2.708
   24   2HD2  ASN   3          2HD2      ASN   3  -5.066  -4.696  -3.689
   25    H    ASP   4           H        ASP   4   0.672  -5.308  -2.239
   26    HA   ASP   4           HA       ASP   4   1.056  -2.634  -0.959
   27   1HB   ASP   4          2HB       ASP   4   1.522  -5.460  -0.071
   28   2HB   ASP   4          1HB       ASP   4   1.972  -4.060   0.894
   29    HA   PRO   5           HA       PRO   5   4.899  -3.670  -3.417
   30   1HB   PRO   5          2HB       PRO   5   5.096  -1.209  -4.614
   31   2HB   PRO   5          1HB       PRO   5   4.173  -2.554  -5.300
   32   1HG   PRO   5          2HG       PRO   5   3.187  -0.247  -3.675
   33   2HG   PRO   5          1HG       PRO   5   2.518  -0.933  -5.165
   34   1HD   PRO   5          2HD       PRO   5   1.460  -1.527  -2.782
   35   2HD   PRO   5          1HD       PRO   5   1.579  -2.750  -4.066
   36    H    CYS   6           H        CYS   6   5.435  -0.299  -3.236
   37    HA   CYS   6           HA       CYS   6   7.134   0.797  -1.983
   38   1HB   CYS   6          2HB       CYS   6   6.027   1.420   0.089
   39   2HB   CYS   6          1HB       CYS   6   4.796   1.125  -1.107
   40    HA   PRO   7           HA       PRO   7   9.546  -2.093   0.418
   41   1HB   PRO   7          2HB       PRO   7   9.994  -1.112   2.907
   42   2HB   PRO   7          1HB       PRO   7  10.625  -0.326   1.447
   43   1HG   PRO   7          2HG       PRO   7   8.533   0.538   3.239
   44   2HG   PRO   7          1HG       PRO   7   9.390   1.450   1.995
   45   1HD   PRO   7          2HD       PRO   7   6.761   0.203   1.880
   46   2HD   PRO   7          1HD       PRO   7   7.534   1.323   0.735
   47    H    CYS   8           H        CYS   8   6.514  -2.334   0.822
   48    HA   CYS   8           HA       CYS   8   6.484  -3.731   3.422
   49   1HB   CYS   8          2HB       CYS   8   4.323  -2.785   1.539
   50   2HB   CYS   8          1HB       CYS   8   3.985  -3.722   2.986
   51    H    GLY   9           H        GLY   9   5.593  -4.247  -0.004
   52   1HA   GLY   9          2HA       GLY   9   5.266  -6.244  -1.208
   53   2HA   GLY   9          1HA       GLY   9   6.558  -6.890  -0.192
   54    H    SER  10           H        SER  10   3.044  -6.333  -0.258
   55    HA   SER  10           HA       SER  10   2.502  -8.887   0.975
   56   1HB   SER  10          2HB       SER  10   1.741  -7.891   3.102
   57   2HB   SER  10          1HB       SER  10   3.446  -7.573   2.829
   58    HG   SER  10           HG       SER  10   1.234  -5.850   2.661
   59    H    GLY  11           H        GLY  11   0.164  -7.322   2.340
   60   1HA   GLY  11          2HA       GLY  11  -1.413  -6.516  -0.030
   61   2HA   GLY  11          1HA       GLY  11  -2.040  -7.833   0.959
   62    H    LYS  12           H        LYS  12  -3.067  -5.018   0.500
   63    HA   LYS  12           HA       LYS  12  -4.227  -3.448   1.820
   64   1HB   LYS  12          2HB       LYS  12  -3.770  -5.797   3.511
   65   2HB   LYS  12          1HB       LYS  12  -4.020  -4.306   4.419
   66   1HG   LYS  12          2HG       LYS  12  -5.832  -5.279   2.193
   67   2HG   LYS  12          1HG       LYS  12  -6.152  -5.513   3.911
   68   1HD   LYS  12          2HD       LYS  12  -5.941  -2.887   2.422
   69   2HD   LYS  12          1HD       LYS  12  -7.356  -3.542   3.248
   70   1HE   LYS  12          2HE       LYS  12  -4.769  -2.605   4.544
   71   2HE   LYS  12          1HE       LYS  12  -6.382  -1.886   4.724
   72   1HZ   LYS  12          1HZ       LYS  12  -5.397  -4.485   5.707
   73   2HZ   LYS  12          2HZ       LYS  12  -7.054  -4.264   5.402
   74   3HZ   LYS  12          3HZ       LYS  12  -6.260  -3.288   6.544
   75    H    LYS  13           H        LYS  13  -1.603  -4.505   3.911
   76    HA   LYS  13           HA       LYS  13  -0.714  -2.566   5.395
   77   1HB   LYS  13          2HB       LYS  13   1.123  -3.496   3.191
   78   2HB   LYS  13          1HB       LYS  13   1.591  -2.969   4.798
   79   1HG   LYS  13          2HG       LYS  13  -0.128  -5.398   4.249
   80   2HG   LYS  13          1HG       LYS  13   1.606  -5.442   4.504
   81   1HD   LYS  13          2HD       LYS  13   1.054  -4.096   6.687
   82   2HD   LYS  13          1HD       LYS  13  -0.568  -4.752   6.460
   83   1HE   LYS  13          2HE       LYS  13   0.212  -6.591   7.558
   84   2HE   LYS  13          1HE       LYS  13   1.082  -6.963   6.056
   85   1HZ   LYS  13          1HZ       LYS  13   2.670  -6.816   7.831
   86   2HZ   LYS  13          2HZ       LYS  13   2.061  -5.307   8.321
   87   3HZ   LYS  13          3HZ       LYS  13   2.866  -5.460   6.833
   88    H    TYR  14           H        TYR  14   0.491  -2.201   2.142
   89    HA   TYR  14           HA       TYR  14   1.305   0.391   2.047
   90   1HB   TYR  14          2HB       TYR  14   1.150  -1.400   0.280
   91   2HB   TYR  14          1HB       TYR  14  -0.506  -0.868  -0.001
   92    HD1  TYR  14           HD1      TYR  14   2.755  -0.513  -1.138
   93    HD2  TYR  14           HD2      TYR  14  -0.667   1.866  -0.109
   94    HE1  TYR  14           HE1      TYR  14   3.626   1.339  -2.526
   95    HE2  TYR  14           HE2      TYR  14   0.205   3.719  -1.491
   96    HH   TYR  14           HH       TYR  14   3.185   4.092  -2.412
   97    H    LYS  15           H        LYS  15  -2.099  -0.564   1.407
   98    HA   LYS  15           HA       LYS  15  -3.250   1.945   1.102
   99   1HB   LYS  15          2HB       LYS  15  -4.157  -0.560   2.545
  100   2HB   LYS  15          1HB       LYS  15  -5.236   0.813   2.298
  101   1HG   LYS  15          2HG       LYS  15  -3.739  -0.535   0.041
  102   2HG   LYS  15          1HG       LYS  15  -5.377  -0.985   0.515
  103   1HD   LYS  15          2HD       LYS  15  -6.248   0.782  -0.578
  104   2HD   LYS  15          1HD       LYS  15  -5.147   1.892   0.239
  105   1HE   LYS  15          2HE       LYS  15  -3.850   0.222  -1.823
  106   2HE   LYS  15          1HE       LYS  15  -5.053   1.367  -2.450
  107   1HZ   LYS  15          1HZ       LYS  15  -2.644   1.918  -0.838
  108   2HZ   LYS  15          2HZ       LYS  15  -3.960   2.992  -0.804
  109   3HZ   LYS  15          3HZ       LYS  15  -3.161   2.670  -2.267
  110    H    GLN  16           H        GLN  16  -2.574   0.241   4.161
  111    HA   GLN  16           HA       GLN  16  -3.286   2.577   5.800
  112   1HB   GLN  16          2HB       GLN  16  -1.858   0.010   6.556
  113   2HB   GLN  16          1HB       GLN  16  -2.778   1.070   7.623
  114   1HG   GLN  16          2HG       GLN  16  -4.229   0.001   5.254
  115   2HG   GLN  16          1HG       GLN  16  -3.833  -1.155   6.524
  116   1HE2  GLN  16          1HE2      GLN  16  -6.427   0.452   5.641
  117   2HE2  GLN  16          2HE2      GLN  16  -7.045   0.981   7.131
  118    H    CYS  17           H        CYS  17  -0.451   1.389   4.205
  119    HA   CYS  17           HA       CYS  17   1.371   2.928   5.989
  120   1HB   CYS  17          2HB       CYS  17   2.099   0.712   5.486
  121   2HB   CYS  17          1HB       CYS  17   1.691   0.886   3.782
  122    H    HIS  18           H        HIS  18   1.121   2.496   2.435
  123    HA   HIS  18           HA       HIS  18   1.899   5.370   2.131
  124   1HB   HIS  18          2HB       HIS  18   2.160   2.888   0.428
  125   2HB   HIS  18          1HB       HIS  18   2.485   4.500  -0.210
  126    HD1  HIS  18           HD1      HIS  18   4.256   1.786   1.106
  127    HD2  HIS  18           HD2      HIS  18   4.385   5.875   1.889
  128    HE1  HIS  18           HE1      HIS  18   6.504   2.239   2.169
  129    H    GLY  19           H        GLY  19  -0.911   3.714   2.267
  130   1HA   GLY  19          2HA       GLY  19  -2.076   4.859  -0.214
  131   2HA   GLY  19          1HA       GLY  19  -2.880   3.718   0.862
  132    H    ARG  20           H        ARG  20  -1.799   5.511   3.152
  133    HA   ARG  20           HA       ARG  20  -4.039   7.497   2.993
  134   1HB   ARG  20          2HB       ARG  20  -3.728   5.495   4.736
  135   2HB   ARG  20          1HB       ARG  20  -2.709   6.685   5.545
  136   1HG   ARG  20          2HG       ARG  20  -4.854   8.236   4.970
  137   2HG   ARG  20          1HG       ARG  20  -5.647   6.674   5.146
  138   1HD   ARG  20          2HD       ARG  20  -3.703   7.009   7.260
  139   2HD   ARG  20          1HD       ARG  20  -4.835   8.376   7.242
  140    HE   ARG  20           HE       ARG  20  -6.676   6.607   7.135
  141   1HH1  ARG  20          1HH1      ARG  20  -4.544   4.376   6.962
  142   2HH1  ARG  20          2HH1      ARG  20  -4.619   3.748   8.574
  143   1HH2  ARG  20          1HH2      ARG  20  -6.342   6.476   9.842
  144   2HH2  ARG  20          2HH2      ARG  20  -5.635   4.938  10.205
  145    H    LEU  21           H        LEU  21  -3.243   9.096   5.132
  146    HA   LEU  21           HA       LEU  21  -0.526  10.099   4.440
  147   1HB   LEU  21          2HB       LEU  21  -1.715  12.432   4.485
  148   2HB   LEU  21          1HB       LEU  21  -1.884  11.436   3.038
  149    HG   LEU  21           HG       LEU  21  -4.039  10.569   3.896
  150   1HD1  LEU  21          1HD1      LEU  21  -3.372  12.412   6.196
  151   2HD1  LEU  21          2HD1      LEU  21  -3.775  10.696   6.257
  152   3HD1  LEU  21          3HD1      LEU  21  -5.021  11.882   5.869
  153   1HD2  LEU  21          1HD2      LEU  21  -3.516  13.091   2.836
  154   2HD2  LEU  21          2HD2      LEU  21  -4.585  13.426   4.200
  155   3HD2  LEU  21          3HD2      LEU  21  -5.098  12.318   2.926
  156    H    GLN  22           HN       GLN  22  -1.289   8.672   6.730
  157    HA   GLN  22           HA       GLN  22  -1.170  10.801   8.845
  158   1HB   GLN  22          2HB       GLN  22  -3.173   8.912   8.330
  159   2HB   GLN  22          1HB       GLN  22  -2.266   8.229   9.680
  160   1HG   GLN  22          2HG       GLN  22  -2.499  10.949  10.298
  161   2HG   GLN  22          1HG       GLN  22  -4.080  10.501   9.655
  162   1HE2  GLN  22          1HE2      GLN  22  -4.044   7.725  10.523
  163   2HE2  GLN  22          2HE2      GLN  22  -4.155   7.719  12.216
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -7.052   0.538  -6.548
    2   2H    GLY   1          2HT       GLY   1  -6.179   1.983  -6.742
    3   3H    GLY   1          3HT       GLY   1  -7.424   1.887  -5.589
    4   1HA   GLY   1          2HA       GLY   1  -4.984   1.710  -4.812
    5   2HA   GLY   1          1HA       GLY   1  -6.195   0.623  -4.131
    6    H    ARG   2           H        ARG   2  -3.164   0.458  -4.964
    7    HA   ARG   2           HA       ARG   2  -3.258  -1.898  -6.764
    8   1HB   ARG   2          2HB       ARG   2  -0.869  -0.610  -5.425
    9   2HB   ARG   2          1HB       ARG   2  -0.903  -1.521  -6.933
   10   1HG   ARG   2          2HG       ARG   2  -2.319   1.126  -6.513
   11   2HG   ARG   2          1HG       ARG   2  -0.740   0.957  -7.280
   12   1HD   ARG   2          2HD       ARG   2  -2.713  -0.874  -8.431
   13   2HD   ARG   2          1HD       ARG   2  -3.183   0.828  -8.603
   14    HE   ARG   2           HE       ARG   2  -1.399   1.055 -10.124
   15   1HH1  ARG   2          1HH1      ARG   2  -1.265  -2.056 -10.041
   16   2HH1  ARG   2          2HH1      ARG   2   0.438  -2.274  -9.806
   17   1HH2  ARG   2          1HH2      ARG   2   1.004   1.023  -8.889
   18   2HH2  ARG   2          2HH2      ARG   2   1.721  -0.532  -9.150
   19    H    ASN   3           H        ASN   3  -0.692  -2.777  -5.294
   20    HA   ASN   3           HA       ASN   3  -2.069  -4.344  -3.158
   21   1HB   ASN   3          2HB       ASN   3   0.548  -4.949  -4.527
   22   2HB   ASN   3          1HB       ASN   3  -0.507  -6.075  -3.670
   23   1HD2  ASN   3          1HD2      ASN   3   0.439  -5.993  -6.602
   24   2HD2  ASN   3          2HD2      ASN   3  -0.997  -6.103  -7.500
   25    H    ASP   4           H        ASP   4   0.667  -5.198  -2.215
   26    HA   ASP   4           HA       ASP   4   1.250  -2.690  -0.691
   27   1HB   ASP   4          2HB       ASP   4   1.436  -5.606  -0.092
   28   2HB   ASP   4          1HB       ASP   4   2.251  -4.427   0.917
   29    HA   PRO   5           HA       PRO   5   4.895  -3.972  -3.395
   30   1HB   PRO   5          2HB       PRO   5   5.103  -1.567  -4.713
   31   2HB   PRO   5          1HB       PRO   5   4.129  -2.920  -5.303
   32   1HG   PRO   5          2HG       PRO   5   3.251  -0.521  -3.750
   33   2HG   PRO   5          1HG       PRO   5   2.508  -1.260  -5.178
   34   1HD   PRO   5          2HD       PRO   5   1.542  -1.726  -2.734
   35   2HD   PRO   5          1HD       PRO   5   1.579  -3.016  -3.955
   36    H    CYS   6           H        CYS   6   5.540  -0.619  -3.385
   37    HA   CYS   6           HA       CYS   6   7.315   0.475  -2.236
   38   1HB   CYS   6          2HB       CYS   6   6.274   1.241  -0.173
   39   2HB   CYS   6          1HB       CYS   6   5.018   0.945  -1.342
   40    HA   PRO   7           HA       PRO   7   9.684  -2.351   0.280
   41   1HB   PRO   7          2HB       PRO   7  10.186  -1.276   2.721
   42   2HB   PRO   7          1HB       PRO   7  10.822  -0.572   1.222
   43   1HG   PRO   7          2HG       PRO   7   8.779   0.432   2.996
   44   2HG   PRO   7          1HG       PRO   7   9.638   1.259   1.698
   45   1HD   PRO   7          2HD       PRO   7   6.977   0.078   1.678
   46   2HD   PRO   7          1HD       PRO   7   7.758   1.127   0.475
   47    H    CYS   8           H        CYS   8   6.639  -2.452   0.753
   48    HA   CYS   8           HA       CYS   8   6.604  -3.765   3.392
   49   1HB   CYS   8          2HB       CYS   8   4.455  -2.851   1.476
   50   2HB   CYS   8          1HB       CYS   8   4.103  -3.711   2.969
   51    H    GLY   9           H        GLY   9   5.446  -4.414   0.055
   52   1HA   GLY   9          2HA       GLY   9   5.244  -6.445  -1.109
   53   2HA   GLY   9          1HA       GLY   9   6.484  -7.078  -0.028
   54    H    SER  10           H        SER  10   2.974  -6.475  -0.237
   55    HA   SER  10           HA       SER  10   2.320  -9.003   0.947
   56   1HB   SER  10          2HB       SER  10   1.752  -8.227   3.123
   57   2HB   SER  10          1HB       SER  10   3.357  -7.597   2.804
   58    HG   SER  10           HG       SER  10   2.538  -5.686   3.024
   59    H    GLY  11           H        GLY  11   0.064  -7.352   2.381
   60   1HA   GLY  11          2HA       GLY  11  -1.460  -6.309   0.089
   61   2HA   GLY  11          1HA       GLY  11  -2.138  -7.733   0.878
   62    H    LYS  12           H        LYS  12  -2.921  -4.745   0.740
   63    HA   LYS  12           HA       LYS  12  -4.257  -3.432   2.187
   64   1HB   LYS  12          2HB       LYS  12  -3.353  -5.230   4.435
   65   2HB   LYS  12          1HB       LYS  12  -4.831  -4.286   4.333
   66   1HG   LYS  12          2HG       LYS  12  -5.915  -5.915   3.216
   67   2HG   LYS  12          1HG       LYS  12  -4.578  -6.139   2.090
   68   1HD   LYS  12          2HD       LYS  12  -5.174  -8.130   3.616
   69   2HD   LYS  12          1HD       LYS  12  -3.476  -7.669   3.532
   70   1HE   LYS  12          2HE       LYS  12  -3.436  -6.938   5.709
   71   2HE   LYS  12          1HE       LYS  12  -5.091  -6.303   5.630
   72   1HZ   LYS  12          1HZ       LYS  12  -5.840  -8.667   5.467
   73   2HZ   LYS  12          2HZ       LYS  12  -5.163  -8.248   6.969
   74   3HZ   LYS  12          3HZ       LYS  12  -4.256  -9.143   5.846
   75    H    LYS  13           H        LYS  13  -1.181  -4.446   3.579
   76    HA   LYS  13           HA       LYS  13  -0.568  -2.446   5.349
   77   1HB   LYS  13          2HB       LYS  13   1.267  -3.514   3.202
   78   2HB   LYS  13          1HB       LYS  13   1.782  -2.764   4.705
   79   1HG   LYS  13          2HG       LYS  13   0.058  -5.251   4.595
   80   2HG   LYS  13          1HG       LYS  13   1.810  -5.280   4.744
   81   1HD   LYS  13          2HD       LYS  13   1.208  -5.338   6.983
   82   2HD   LYS  13          1HD       LYS  13   1.339  -3.596   6.738
   83   1HE   LYS  13          2HE       LYS  13  -1.262  -4.080   5.956
   84   2HE   LYS  13          1HE       LYS  13  -1.052  -5.219   7.302
   85   1HZ   LYS  13          1HZ       LYS  13  -1.534  -3.284   8.422
   86   2HZ   LYS  13          2HZ       LYS  13  -0.756  -2.291   7.285
   87   3HZ   LYS  13          3HZ       LYS  13   0.160  -3.210   8.381
   88    H    TYR  14           H        TYR  14   0.779  -2.098   2.150
   89    HA   TYR  14           HA       TYR  14   1.456   0.507   1.998
   90   1HB   TYR  14          2HB       TYR  14   1.422  -1.301   0.264
   91   2HB   TYR  14          1HB       TYR  14  -0.247  -0.853  -0.075
   92    HD1  TYR  14           HD1      TYR  14   2.991  -0.410  -1.191
   93    HD2  TYR  14           HD2      TYR  14  -0.482   1.913  -0.195
   94    HE1  TYR  14           HE1      TYR  14   3.832   1.454  -2.587
   95    HE2  TYR  14           HE2      TYR  14   0.364   3.774  -1.582
   96    HH   TYR  14           HH       TYR  14   3.040   3.393  -3.738
   97    H    LYS  15           H        LYS  15  -1.929  -0.513   1.278
   98    HA   LYS  15           HA       LYS  15  -3.095   1.981   0.917
   99   1HB   LYS  15          2HB       LYS  15  -3.888  -0.667   2.008
  100   2HB   LYS  15          1HB       LYS  15  -4.969   0.669   2.408
  101   1HG   LYS  15          2HG       LYS  15  -5.640  -0.416   0.293
  102   2HG   LYS  15          1HG       LYS  15  -5.142   1.253   0.026
  103   1HD   LYS  15          2HD       LYS  15  -3.025  -0.829  -0.169
  104   2HD   LYS  15          1HD       LYS  15  -4.209  -0.768  -1.473
  105   1HE   LYS  15          2HE       LYS  15  -3.483   1.926  -0.924
  106   2HE   LYS  15          1HE       LYS  15  -1.977   0.992  -1.027
  107   1HZ   LYS  15          1HZ       LYS  15  -4.054   1.388  -3.048
  108   2HZ   LYS  15          2HZ       LYS  15  -3.297  -0.132  -2.996
  109   3HZ   LYS  15          3HZ       LYS  15  -2.372   1.273  -3.237
  110    H    GLN  16           H        GLN  16  -2.396   0.333   3.991
  111    HA   GLN  16           HA       GLN  16  -3.187   2.662   5.607
  112   1HB   GLN  16          2HB       GLN  16  -1.698   0.164   6.452
  113   2HB   GLN  16          1HB       GLN  16  -2.757   1.173   7.433
  114   1HG   GLN  16          2HG       GLN  16  -3.886  -0.160   4.988
  115   2HG   GLN  16          1HG       GLN  16  -3.640  -1.113   6.448
  116   1HE2  GLN  16          1HE2      GLN  16  -5.483  -1.160   7.721
  117   2HE2  GLN  16          2HE2      GLN  16  -6.594   0.112   7.886
  118    H    CYS  17           H        CYS  17  -0.264   1.231   4.275
  119    HA   CYS  17           HA       CYS  17   1.533   2.845   5.971
  120   1HB   CYS  17          2HB       CYS  17   2.287   0.657   5.418
  121   2HB   CYS  17          1HB       CYS  17   1.820   0.833   3.733
  122    H    HIS  18           H        HIS  18   1.255   2.502   2.415
  123    HA   HIS  18           HA       HIS  18   2.049   5.374   2.157
  124   1HB   HIS  18          2HB       HIS  18   2.256   2.929   0.396
  125   2HB   HIS  18          1HB       HIS  18   2.627   4.551  -0.189
  126    HD1  HIS  18           HD1      HIS  18   4.518   1.882   0.639
  127    HD2  HIS  18           HD2      HIS  18   4.358   5.668   2.368
  128    HE1  HIS  18           HE1      HIS  18   6.720   2.208   1.841
  129    H    GLY  19           H        GLY  19  -0.769   3.736   2.290
  130   1HA   GLY  19          2HA       GLY  19  -1.972   4.841  -0.173
  131   2HA   GLY  19          1HA       GLY  19  -2.791   3.816   1.007
  132    H    ARG  20           H        ARG  20  -1.369   5.852   3.006
  133    HA   ARG  20           HA       ARG  20  -2.170   7.688   4.265
  134   1HB   ARG  20          2HB       ARG  20  -1.399   8.801   2.212
  135   2HB   ARG  20          1HB       ARG  20  -2.949   8.473   1.436
  136   1HG   ARG  20          2HG       ARG  20  -3.817  10.343   2.330
  137   2HG   ARG  20          1HG       ARG  20  -3.447   9.754   3.951
  138   1HD   ARG  20          2HD       ARG  20  -1.126  10.795   2.411
  139   2HD   ARG  20          1HD       ARG  20  -2.322  11.999   2.933
  140    HE   ARG  20           HE       ARG  20  -2.091  10.919   5.250
  141   1HH1  ARG  20          1HH1      ARG  20  -0.212   8.750   4.534
  142   2HH1  ARG  20          2HH1      ARG  20   1.330   9.433   4.926
  143   1HH2  ARG  20          1HH2      ARG  20   0.154  12.695   5.030
  144   2HH2  ARG  20          2HH2      ARG  20   1.539  11.669   5.203
  145    H    LEU  21           H        LEU  21  -4.052   5.353   3.474
  146    HA   LEU  21           HA       LEU  21  -6.373   4.859   3.600
  147   1HB   LEU  21          2HB       LEU  21  -5.534   5.546   5.910
  148   2HB   LEU  21          1HB       LEU  21  -6.233   7.135   5.596
  149    HG   LEU  21           HG       LEU  21  -8.292   5.429   4.904
  150   1HD1  LEU  21          1HD1      LEU  21  -7.665   3.416   5.799
  151   2HD1  LEU  21          2HD1      LEU  21  -8.261   4.148   7.289
  152   3HD1  LEU  21          3HD1      LEU  21  -6.534   4.157   6.932
  153   1HD2  LEU  21          1HD2      LEU  21  -7.942   6.449   7.720
  154   2HD2  LEU  21          2HD2      LEU  21  -9.408   6.398   6.743
  155   3HD2  LEU  21          3HD2      LEU  21  -8.144   7.572   6.375
  156    H    GLN  22           HN       GLN  22  -6.043   6.391   1.373
  157    HA   GLN  22           HA       GLN  22  -7.079   8.002  -0.026
  158   1HB   GLN  22          2HB       GLN  22  -9.059   6.609   1.680
  159   2HB   GLN  22          1HB       GLN  22  -9.653   8.073   0.896
  160   1HG   GLN  22          2HG       GLN  22  -9.446   7.194  -1.220
  161   2HG   GLN  22          1HG       GLN  22  -8.063   6.193  -0.782
  162   1HE2  GLN  22          1HE2      GLN  22  -8.525   3.996  -0.589
  163   2HE2  GLN  22          2HE2      GLN  22 -10.062   3.347  -0.277
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -6.497  -7.889  -3.364
    2   2H    GLY   1          2HT       GLY   1  -7.454  -8.180  -1.991
    3   3H    GLY   1          3HT       GLY   1  -6.077  -7.193  -1.876
    4   1HA   GLY   1          2HA       GLY   1  -8.437  -6.547  -3.552
    5   2HA   GLY   1          1HA       GLY   1  -8.196  -5.935  -1.917
    6    H    ARG   2           H        ARG   2  -5.753  -5.096  -1.671
    7    HA   ARG   2           HA       ARG   2  -5.364  -3.157  -3.917
    8   1HB   ARG   2          2HB       ARG   2  -4.385  -3.101  -1.042
    9   2HB   ARG   2          1HB       ARG   2  -4.354  -1.761  -2.189
   10   1HG   ARG   2          2HG       ARG   2  -6.968  -3.102  -1.574
   11   2HG   ARG   2          1HG       ARG   2  -6.309  -1.934  -0.430
   12   1HD   ARG   2          2HD       ARG   2  -6.921  -0.202  -1.759
   13   2HD   ARG   2          1HD       ARG   2  -6.126  -0.941  -3.166
   14    HE   ARG   2           HE       ARG   2  -8.475  -2.442  -2.592
   15   1HH1  ARG   2          1HH1      ARG   2  -7.721  -1.247  -5.277
   16   2HH1  ARG   2          2HH1      ARG   2  -9.028  -0.140  -5.537
   17   1HH2  ARG   2          1HH2      ARG   2 -10.071  -0.187  -2.229
   18   2HH2  ARG   2          2HH2      ARG   2 -10.360   0.459  -3.811
   19    H    ASN   3           H        ASN   3  -2.730  -2.412  -3.237
   20    HA   ASN   3           HA       ASN   3  -1.150  -4.929  -3.641
   21   1HB   ASN   3          2HB       ASN   3  -0.260  -2.426  -4.976
   22   2HB   ASN   3          1HB       ASN   3  -0.201  -4.085  -5.563
   23   1HD2  ASN   3          1HD2      ASN   3  -1.720  -4.603  -7.152
   24   2HD2  ASN   3          2HD2      ASN   3  -3.130  -3.714  -7.473
   25    H    ASP   4           H        ASP   4   0.653  -5.047  -2.295
   26    HA   ASP   4           HA       ASP   4   1.294  -2.533  -0.813
   27   1HB   ASP   4          2HB       ASP   4   1.472  -5.428  -0.121
   28   2HB   ASP   4          1HB       ASP   4   2.159  -4.171   0.895
   29    HA   PRO   5           HA       PRO   5   4.990  -3.806  -3.428
   30   1HB   PRO   5          2HB       PRO   5   5.249  -1.380  -4.688
   31   2HB   PRO   5          1HB       PRO   5   4.237  -2.686  -5.322
   32   1HG   PRO   5          2HG       PRO   5   3.418  -0.336  -3.656
   33   2HG   PRO   5          1HG       PRO   5   2.681  -0.953  -5.143
   34   1HD   PRO   5          2HD       PRO   5   1.626  -1.554  -2.784
   35   2HD   PRO   5          1HD       PRO   5   1.722  -2.782  -4.065
   36    H    CYS   6           H        CYS   6   5.684  -0.477  -3.351
   37    HA   CYS   6           HA       CYS   6   7.426   0.589  -2.126
   38   1HB   CYS   6          2HB       CYS   6   6.279   1.404  -0.138
   39   2HB   CYS   6          1HB       CYS   6   5.078   1.114  -1.367
   40    HA   PRO   7           HA       PRO   7   9.574  -2.246   0.575
   41   1HB   PRO   7          2HB       PRO   7   9.926  -1.163   3.037
   42   2HB   PRO   7          1HB       PRO   7  10.681  -0.485   1.581
   43   1HG   PRO   7          2HG       PRO   7   8.537   0.574   3.200
   44   2HG   PRO   7          1HG       PRO   7   9.505   1.375   1.963
   45   1HD   PRO   7          2HD       PRO   7   6.830   0.252   1.764
   46   2HD   PRO   7          1HD       PRO   7   7.715   1.270   0.608
   47    H    CYS   8           H        CYS   8   6.516  -2.340   0.809
   48    HA   CYS   8           HA       CYS   8   6.271  -3.577   3.478
   49   1HB   CYS   8          2HB       CYS   8   4.276  -2.671   1.400
   50   2HB   CYS   8          1HB       CYS   8   3.803  -3.534   2.857
   51    H    GLY   9           H        GLY   9   5.366  -4.291   0.079
   52   1HA   GLY   9          2HA       GLY   9   5.173  -6.352  -1.039
   53   2HA   GLY   9          1HA       GLY   9   6.318  -6.987   0.141
   54    H    SER  10           H        SER  10   2.867  -6.381  -0.418
   55    HA   SER  10           HA       SER  10   2.082  -8.776   0.949
   56   1HB   SER  10          2HB       SER  10   1.158  -7.629   2.921
   57   2HB   SER  10          1HB       SER  10   2.892  -7.369   2.800
   58    HG   SER  10           HG       SER  10   2.513  -5.330   2.603
   59    H    GLY  11           H        GLY  11  -0.329  -6.987   1.943
   60   1HA   GLY  11          2HA       GLY  11  -1.595  -6.465  -0.697
   61   2HA   GLY  11          1HA       GLY  11  -2.403  -7.555   0.423
   62    H    LYS  12           H        LYS  12  -1.983  -6.162   2.859
   63    HA   LYS  12           HA       LYS  12  -3.760  -3.807   2.404
   64   1HB   LYS  12          2HB       LYS  12  -3.120  -5.291   4.956
   65   2HB   LYS  12          1HB       LYS  12  -4.498  -4.235   4.653
   66   1HG   LYS  12          2HG       LYS  12  -5.404  -5.792   3.022
   67   2HG   LYS  12          1HG       LYS  12  -3.968  -6.809   3.144
   68   1HD   LYS  12          2HD       LYS  12  -6.058  -6.309   5.274
   69   2HD   LYS  12          1HD       LYS  12  -5.652  -7.843   4.501
   70   1HE   LYS  12          2HE       LYS  12  -3.338  -7.657   5.488
   71   2HE   LYS  12          1HE       LYS  12  -3.903  -6.241   6.399
   72   1HZ   LYS  12          1HZ       LYS  12  -5.630  -7.536   7.386
   73   2HZ   LYS  12          2HZ       LYS  12  -4.170  -8.372   7.618
   74   3HZ   LYS  12          3HZ       LYS  12  -5.262  -8.881   6.421
   75    H    LYS  13           H        LYS  13  -0.766  -4.753   3.870
   76    HA   LYS  13           HA       LYS  13   0.099  -2.825   5.534
   77   1HB   LYS  13          2HB       LYS  13   1.570  -3.722   3.048
   78   2HB   LYS  13          1HB       LYS  13   2.329  -3.044   4.485
   79   1HG   LYS  13          2HG       LYS  13   0.718  -5.605   4.378
   80   2HG   LYS  13          1HG       LYS  13   2.471  -5.493   4.453
   81   1HD   LYS  13          2HD       LYS  13   2.445  -5.148   6.684
   82   2HD   LYS  13          1HD       LYS  13   1.201  -3.907   6.544
   83   1HE   LYS  13          2HE       LYS  13  -0.527  -5.700   6.345
   84   2HE   LYS  13          1HE       LYS  13   0.743  -6.911   6.608
   85   1HZ   LYS  13          1HZ       LYS  13   1.157  -6.152   8.732
   86   2HZ   LYS  13          2HZ       LYS  13  -0.529  -5.975   8.640
   87   3HZ   LYS  13          3HZ       LYS  13   0.483  -4.624   8.445
   88    H    TYR  14           H        TYR  14   1.014  -2.276   2.236
   89    HA   TYR  14           HA       TYR  14   1.598   0.353   2.122
   90   1HB   TYR  14          2HB       TYR  14   1.424  -1.451   0.371
   91   2HB   TYR  14          1HB       TYR  14  -0.268  -1.000   0.191
   92    HD1  TYR  14           HD1      TYR  14  -0.575   1.709   0.045
   93    HD2  TYR  14           HD2      TYR  14   2.917  -0.504  -1.098
   94    HE1  TYR  14           HE1      TYR  14   0.141   3.585  -1.394
   95    HE2  TYR  14           HE2      TYR  14   3.641   1.367  -2.533
   96    HH   TYR  14           HH       TYR  14   2.805   4.277  -2.331
   97    H    LYS  15           H        LYS  15  -1.786  -0.787   1.674
   98    HA   LYS  15           HA       LYS  15  -3.092   1.642   1.499
   99   1HB   LYS  15          2HB       LYS  15  -3.688  -1.054   2.079
  100   2HB   LYS  15          1HB       LYS  15  -4.435  -0.119   3.376
  101   1HG   LYS  15          2HG       LYS  15  -4.799   1.066   0.712
  102   2HG   LYS  15          1HG       LYS  15  -5.543  -0.523   0.888
  103   1HD   LYS  15          2HD       LYS  15  -5.985   1.157   3.236
  104   2HD   LYS  15          1HD       LYS  15  -6.620   1.894   1.764
  105   1HE   LYS  15          2HE       LYS  15  -7.612  -0.497   1.304
  106   2HE   LYS  15          1HE       LYS  15  -7.398  -0.712   3.052
  107   1HZ   LYS  15          1HZ       LYS  15  -8.507   1.484   3.334
  108   2HZ   LYS  15          2HZ       LYS  15  -9.526   0.273   2.712
  109   3HZ   LYS  15          3HZ       LYS  15  -8.886   1.463   1.682
  110    H    GLN  16           H        GLN  16  -2.101  -0.030   4.488
  111    HA   GLN  16           HA       GLN  16  -2.894   2.176   6.239
  112   1HB   GLN  16          2HB       GLN  16  -1.062  -0.168   6.815
  113   2HB   GLN  16          1HB       GLN  16  -2.084   0.701   7.955
  114   1HG   GLN  16          2HG       GLN  16  -3.624  -0.402   5.730
  115   2HG   GLN  16          1HG       GLN  16  -2.754  -1.648   6.624
  116   1HE2  GLN  16          1HE2      GLN  16  -5.732  -0.448   6.574
  117   2HE2  GLN  16          2HE2      GLN  16  -6.108  -0.405   8.229
  118    H    CYS  17           H        CYS  17  -0.066   1.264   4.435
  119    HA   CYS  17           HA       CYS  17   1.713   3.023   6.047
  120   1HB   CYS  17          2HB       CYS  17   2.614   0.885   5.525
  121   2HB   CYS  17          1HB       CYS  17   2.033   0.961   3.864
  122    H    HIS  18           H        HIS  18   1.286   2.489   2.539
  123    HA   HIS  18           HA       HIS  18   1.785   5.403   2.110
  124   1HB   HIS  18          2HB       HIS  18   2.124   2.895   0.461
  125   2HB   HIS  18          1HB       HIS  18   2.341   4.510  -0.217
  126    HD1  HIS  18           HD1      HIS  18   4.388   1.962   0.842
  127    HD2  HIS  18           HD2      HIS  18   4.160   5.955   2.017
  128    HE1  HIS  18           HE1      HIS  18   6.626   2.528   1.872
  129    H    GLY  19           H        GLY  19  -0.871   3.575   2.502
  130   1HA   GLY  19          2HA       GLY  19  -2.301   4.327   0.038
  131   2HA   GLY  19          1HA       GLY  19  -2.974   3.424   1.389
  132    H    ARG  20           H        ARG  20  -1.295   6.235   2.364
  133    HA   ARG  20           HA       ARG  20  -3.443   7.457   3.674
  134   1HB   ARG  20          2HB       ARG  20  -2.022   9.490   3.564
  135   2HB   ARG  20          1HB       ARG  20  -1.052   8.055   3.901
  136   1HG   ARG  20          2HG       ARG  20  -1.211   8.252   1.083
  137   2HG   ARG  20          1HG       ARG  20  -0.861   9.878   1.672
  138   1HD   ARG  20          2HD       ARG  20   0.714   7.928   3.134
  139   2HD   ARG  20          1HD       ARG  20   0.991   7.778   1.387
  140    HE   ARG  20           HE       ARG  20   1.187  10.396   1.520
  141   1HH1  ARG  20          1HH1      ARG  20   3.743   8.961   1.975
  142   2HH1  ARG  20          2HH1      ARG  20   4.270   9.598   3.497
  143   1HH2  ARG  20          1HH2      ARG  20   1.153  10.869   4.341
  144   2HH2  ARG  20          2HH2      ARG  20   2.803  10.681   4.836
  145    H    LEU  21           H        LEU  21  -4.996   9.029   3.055
  146    HA   LEU  21           HA       LEU  21  -5.155   9.677   0.134
  147   1HB   LEU  21          2HB       LEU  21  -6.631   7.740   1.280
  148   2HB   LEU  21          1HB       LEU  21  -7.644   9.124   1.690
  149    HG   LEU  21           HG       LEU  21  -8.453   8.366  -0.418
  150   1HD1  LEU  21          1HD1      LEU  21  -7.986  10.229  -1.899
  151   2HD1  LEU  21          2HD1      LEU  21  -6.472  10.568  -1.061
  152   3HD1  LEU  21          3HD1      LEU  21  -8.011  10.833  -0.241
  153   1HD2  LEU  21          1HD2      LEU  21  -6.264   7.022  -0.805
  154   2HD2  LEU  21          2HD2      LEU  21  -5.678   8.484  -1.598
  155   3HD2  LEU  21          3HD2      LEU  21  -7.104   7.653  -2.221
  156    H    GLN  22           HN       GLN  22  -4.579  11.872   0.479
  157    HA   GLN  22           HA       GLN  22  -4.866  14.112   1.190
  158   1HB   GLN  22          2HB       GLN  22  -6.838  13.743  -0.214
  159   2HB   GLN  22          1HB       GLN  22  -7.701  13.022   1.145
  160   1HG   GLN  22          2HG       GLN  22  -7.595  15.148   2.370
  161   2HG   GLN  22          1HG       GLN  22  -6.683  15.878   1.048
  162   1HE2  GLN  22          1HE2      GLN  22  -8.364  17.443   0.543
  163   2HE2  GLN  22          2HE2      GLN  22  -9.841  16.975  -0.151
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  -1.718 -11.576  -0.788
    2   2H    GLY   1          2HT       GLY   1  -1.665 -11.123   0.849
    3   3H    GLY   1          3HT       GLY   1  -0.310 -11.842   0.120
    4   1HA   GLY   1          2HA       GLY   1  -0.949  -9.119   0.299
    5   2HA   GLY   1          1HA       GLY   1   0.470  -9.863  -0.442
    6    H    ARG   2           H        ARG   2  -2.557  -8.323  -1.054
    7    HA   ARG   2           HA       ARG   2  -2.898  -9.175  -3.801
    8   1HB   ARG   2          2HB       ARG   2  -3.942  -7.021  -1.987
    9   2HB   ARG   2          1HB       ARG   2  -4.306  -6.945  -3.713
   10   1HG   ARG   2          2HG       ARG   2  -5.505  -8.960  -3.685
   11   2HG   ARG   2          1HG       ARG   2  -4.736  -9.508  -2.194
   12   1HD   ARG   2          2HD       ARG   2  -6.212  -8.369  -0.868
   13   2HD   ARG   2          1HD       ARG   2  -6.273  -6.982  -1.972
   14    HE   ARG   2           HE       ARG   2  -8.053  -9.274  -2.053
   15   1HH1  ARG   2          1HH2      ARG   2  -7.469  -6.245  -3.289
   16   2HH1  ARG   2          2HH2      ARG   2  -8.130  -6.548  -4.861
   17   1HH2  ARG   2          1HH1      ARG   2  -8.458  -9.961  -4.357
   18   2HH2  ARG   2          2HH1      ARG   2  -8.687  -8.649  -5.466
   19    H    ASN   3           H        ASN   3  -2.059  -5.882  -2.610
   20    HA   ASN   3           HA       ASN   3   0.111  -5.734  -4.625
   21   1HB   ASN   3          2HB       ASN   3  -1.756  -3.454  -4.747
   22   2HB   ASN   3          1HB       ASN   3  -0.934  -4.303  -6.054
   23   1HD2  ASN   3          1HD2      ASN   3  -3.982  -3.865  -4.589
   24   2HD2  ASN   3          2HD2      ASN   3  -4.777  -5.188  -5.294
   25    H    ASP   4           H        ASP   4   0.953  -5.616  -2.187
   26    HA   ASP   4           HA       ASP   4   0.937  -2.735  -1.356
   27   1HB   ASP   4          2HB       ASP   4   1.416  -5.332   0.103
   28   2HB   ASP   4          1HB       ASP   4   1.790  -3.769   0.818
   29    HA   PRO   5           HA       PRO   5   4.966  -3.818  -3.434
   30   1HB   PRO   5          2HB       PRO   5   5.122  -1.383  -4.710
   31   2HB   PRO   5          1HB       PRO   5   4.264  -2.781  -5.376
   32   1HG   PRO   5          2HG       PRO   5   3.147  -0.503  -3.778
   33   2HG   PRO   5          1HG       PRO   5   2.566  -1.160  -5.316
   34   1HD   PRO   5          2HD       PRO   5   1.377  -1.881  -3.082
   35   2HD   PRO   5          1HD       PRO   5   1.753  -3.113  -4.310
   36    H    CYS   6           H        CYS   6   5.436  -0.450  -3.384
   37    HA   CYS   6           HA       CYS   6   7.084   0.731  -2.174
   38   1HB   CYS   6          2HB       CYS   6   5.954   1.440  -0.161
   39   2HB   CYS   6          1HB       CYS   6   4.730   1.054  -1.342
   40    HA   PRO   7           HA       PRO   7   9.531  -1.983   0.380
   41   1HB   PRO   7          2HB       PRO   7   9.965  -0.857   2.807
   42   2HB   PRO   7          1HB       PRO   7  10.580  -0.142   1.305
   43   1HG   PRO   7          2HG       PRO   7   8.480   0.789   3.054
   44   2HG   PRO   7          1HG       PRO   7   9.307   1.639   1.750
   45   1HD   PRO   7          2HD       PRO   7   6.709   0.318   1.737
   46   2HD   PRO   7          1HD       PRO   7   7.434   1.405   0.529
   47    H    CYS   8           H        CYS   8   6.508  -2.257   0.789
   48    HA   CYS   8           HA       CYS   8   6.504  -3.522   3.463
   49   1HB   CYS   8          2HB       CYS   8   4.310  -2.680   1.566
   50   2HB   CYS   8          1HB       CYS   8   4.007  -3.517   3.082
   51    H    GLY   9           H        GLY   9   5.484  -4.201   0.091
   52   1HA   GLY   9          2HA       GLY   9   5.225  -6.248  -1.038
   53   2HA   GLY   9          1HA       GLY   9   6.477  -6.865   0.039
   54    H    SER  10           H        SER  10   2.964  -6.259  -0.136
   55    HA   SER  10           HA       SER  10   2.396  -8.771   1.183
   56   1HB   SER  10          2HB       SER  10   1.562  -7.699   3.239
   57   2HB   SER  10          1HB       SER  10   3.275  -7.390   3.008
   58    HG   SER  10           HG       SER  10   2.729  -5.371   3.121
   59    H    GLY  11           H        GLY  11   0.049  -6.945   2.398
   60   1HA   GLY  11          2HA       GLY  11  -1.479  -6.341  -0.043
   61   2HA   GLY  11          1HA       GLY  11  -2.116  -7.655   0.948
   62    H    LYS  12           H        LYS  12  -3.092  -4.792   0.384
   63    HA   LYS  12           HA       LYS  12  -4.324  -3.209   1.637
   64   1HB   LYS  12          2HB       LYS  12  -3.709  -5.012   3.980
   65   2HB   LYS  12          1HB       LYS  12  -5.086  -3.928   3.796
   66   1HG   LYS  12          2HG       LYS  12  -4.529  -6.300   1.996
   67   2HG   LYS  12          1HG       LYS  12  -5.673  -6.312   3.340
   68   1HD   LYS  12          2HD       LYS  12  -7.125  -5.725   1.650
   69   2HD   LYS  12          1HD       LYS  12  -6.560  -4.113   2.096
   70   1HE   LYS  12          2HE       LYS  12  -5.308  -3.874   0.174
   71   2HE   LYS  12          1HE       LYS  12  -4.928  -5.605   0.085
   72   1HZ   LYS  12          1HZ       LYS  12  -6.511  -5.202  -1.599
   73   2HZ   LYS  12          2HZ       LYS  12  -7.493  -4.273  -0.573
   74   3HZ   LYS  12          3HZ       LYS  12  -7.366  -5.950  -0.341
   75    H    LYS  13           H        LYS  13  -1.797  -4.414   3.765
   76    HA   LYS  13           HA       LYS  13  -0.968  -2.483   5.347
   77   1HB   LYS  13          2HB       LYS  13   0.440  -4.348   5.091
   78   2HB   LYS  13          1HB       LYS  13   0.613  -4.068   3.358
   79   1HG   LYS  13          2HG       LYS  13   2.671  -3.399   4.419
   80   2HG   LYS  13          1HG       LYS  13   1.840  -1.938   3.901
   81   1HD   LYS  13          2HD       LYS  13   2.152  -1.239   6.039
   82   2HD   LYS  13          1HD       LYS  13   0.798  -2.303   6.415
   83   1HE   LYS  13          2HE       LYS  13   2.810  -4.119   6.455
   84   2HE   LYS  13          1HE       LYS  13   3.691  -2.671   6.982
   85   1HZ   LYS  13          1HZ       LYS  13   2.474  -3.953   8.779
   86   2HZ   LYS  13          2HZ       LYS  13   1.034  -3.387   8.077
   87   3HZ   LYS  13          3HZ       LYS  13   2.168  -2.286   8.705
   88    H    TYR  14           H        TYR  14   0.010  -2.321   1.987
   89    HA   TYR  14           HA       TYR  14   1.227   0.160   1.877
   90   1HB   TYR  14          2HB       TYR  14   0.740  -1.578   0.082
   91   2HB   TYR  14          1HB       TYR  14  -0.840  -0.813  -0.089
   92    HD1  TYR  14           HD1      TYR  14  -0.684   1.894  -0.170
   93    HD2  TYR  14           HD2      TYR  14   2.429  -0.817  -1.361
   94    HE1  TYR  14           HE1      TYR  14   0.343   3.679  -1.542
   95    HE2  TYR  14           HE2      TYR  14   3.455   0.973  -2.734
   96    HH   TYR  14           HH       TYR  14   2.042   4.243  -2.853
   97    H    LYS  15           H        LYS  15  -2.289  -0.336   1.284
   98    HA   LYS  15           HA       LYS  15  -3.159   2.290   1.131
   99   1HB   LYS  15          2HB       LYS  15  -4.291  -0.179   2.458
  100   2HB   LYS  15          1HB       LYS  15  -5.205   1.329   2.434
  101   1HG   LYS  15          2HG       LYS  15  -4.092  -0.032  -0.035
  102   2HG   LYS  15          1HG       LYS  15  -5.760  -0.182   0.516
  103   1HD   LYS  15          2HD       LYS  15  -5.941   2.331   0.401
  104   2HD   LYS  15          1HD       LYS  15  -4.347   2.352  -0.356
  105   1HE   LYS  15          2HE       LYS  15  -5.807   0.406  -1.782
  106   2HE   LYS  15          1HE       LYS  15  -6.913   1.779  -1.577
  107   1HZ   LYS  15          1HZ       LYS  15  -5.123   1.786  -3.477
  108   2HZ   LYS  15          2HZ       LYS  15  -4.104   2.322  -2.227
  109   3HZ   LYS  15          3HZ       LYS  15  -5.496   3.211  -2.632
  110    H    GLN  16           H        GLN  16  -2.569   0.427   4.107
  111    HA   GLN  16           HA       GLN  16  -3.052   2.733   5.850
  112   1HB   GLN  16          2HB       GLN  16  -1.728   0.083   6.481
  113   2HB   GLN  16          1HB       GLN  16  -2.614   1.131   7.586
  114   1HG   GLN  16          2HG       GLN  16  -4.215   0.342   5.257
  115   2HG   GLN  16          1HG       GLN  16  -3.680  -1.034   6.217
  116   1HE2  GLN  16          1HE2      GLN  16  -5.788  -1.432   7.159
  117   2HE2  GLN  16          2HE2      GLN  16  -6.487  -0.364   8.277
  118    H    CYS  17           H        CYS  17  -0.370   1.453   4.098
  119    HA   CYS  17           HA       CYS  17   1.600   2.849   5.850
  120   1HB   CYS  17          2HB       CYS  17   2.017   0.508   5.267
  121   2HB   CYS  17          1HB       CYS  17   1.856   0.883   3.552
  122    H    HIS  18           H        HIS  18   1.204   2.398   2.315
  123    HA   HIS  18           HA       HIS  18   2.223   5.179   1.937
  124   1HB   HIS  18          2HB       HIS  18   2.221   2.629   0.340
  125   2HB   HIS  18          1HB       HIS  18   2.525   4.177  -0.445
  126    HD1  HIS  18           HD1      HIS  18   5.025   3.327  -0.845
  127    HD2  HIS  18           HD2      HIS  18   3.946   3.888   3.135
  128    HE1  HIS  18           HE1      HIS  18   7.181   3.360   0.481
  129    H    GLY  19           H        GLY  19  -0.717   3.836   2.270
  130   1HA   GLY  19          2HA       GLY  19  -1.988   4.841  -0.179
  131   2HA   GLY  19          1HA       GLY  19  -2.820   4.140   1.213
  132    H    ARG  20           H        ARG  20  -2.661   5.540   3.258
  133    HA   ARG  20           HA       ARG  20  -2.135   8.339   3.195
  134   1HB   ARG  20          2HB       ARG  20  -3.961   8.188   1.447
  135   2HB   ARG  20          1HB       ARG  20  -5.046   7.630   2.718
  136   1HG   ARG  20          2HG       ARG  20  -5.095   9.689   3.776
  137   2HG   ARG  20          1HG       ARG  20  -3.493  10.141   3.195
  138   1HD   ARG  20          2HD       ARG  20  -5.263   9.779   0.939
  139   2HD   ARG  20          1HD       ARG  20  -5.968  10.933   2.090
  140    HE   ARG  20           HE       ARG  20  -3.089  11.256   1.462
  141   1HH1  ARG  20          1HH1      ARG  20  -5.309  11.894  -0.691
  142   2HH1  ARG  20          2HH1      ARG  20  -5.379  13.615  -0.514
  143   1HH2  ARG  20          1HH2      ARG  20  -3.620  13.642   2.475
  144   2HH2  ARG  20          2HH2      ARG  20  -4.420  14.606   1.277
  145    H    LEU  21           H        LEU  21  -2.852   9.380   5.195
  146    HA   LEU  21           HA       LEU  21  -4.226   7.591   7.156
  147   1HB   LEU  21          2HB       LEU  21  -1.563   7.717   7.110
  148   2HB   LEU  21          1HB       LEU  21  -1.852   9.208   8.009
  149    HG   LEU  21           HG       LEU  21  -3.160   7.993   9.676
  150   1HD1  LEU  21          1HD1      LEU  21  -4.239   6.162   8.890
  151   2HD1  LEU  21          2HD1      LEU  21  -2.731   5.306   9.214
  152   3HD1  LEU  21          3HD1      LEU  21  -3.065   5.920   7.595
  153   1HD2  LEU  21          1HD2      LEU  21  -0.441   7.864   9.378
  154   2HD2  LEU  21          2HD2      LEU  21  -0.852   6.152   9.479
  155   3HD2  LEU  21          3HD2      LEU  21  -1.310   7.248  10.785
  156    H    GLN  22           HN       GLN  22  -5.508   9.677   5.904
  157    HA   GLN  22           HA       GLN  22  -6.349  11.338   8.094
  158   1HB   GLN  22          2HB       GLN  22  -4.013  12.196   7.552
  159   2HB   GLN  22          1HB       GLN  22  -4.656  12.723   5.997
  160   1HG   GLN  22          2HG       GLN  22  -5.332  14.620   6.998
  161   2HG   GLN  22          1HG       GLN  22  -6.492  13.655   7.913
  162   1HE2  GLN  22          1HE2      GLN  22  -5.866  15.559   9.528
  163   2HE2  GLN  22          2HE2      GLN  22  -4.586  15.218  10.589
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  -7.652   1.521  -3.027
    2   2H    GLY   1          2HT       GLY   1  -7.445   0.784  -4.543
    3   3H    GLY   1          3HT       GLY   1  -6.106   1.421  -3.714
    4   1HA   GLY   1          2HA       GLY   1  -6.428  -0.218  -1.940
    5   2HA   GLY   1          1HA       GLY   1  -7.745  -0.911  -2.885
    6    H    ARG   2           H        ARG   2  -4.260  -0.230  -2.960
    7    HA   ARG   2           HA       ARG   2  -3.948  -2.198  -5.187
    8   1HB   ARG   2          2HB       ARG   2  -1.853  -0.393  -3.960
    9   2HB   ARG   2          1HB       ARG   2  -1.872  -1.092  -5.580
   10   1HG   ARG   2          2HG       ARG   2  -4.042   0.260  -5.937
   11   2HG   ARG   2          1HG       ARG   2  -3.568   1.154  -4.491
   12   1HD   ARG   2          2HD       ARG   2  -1.518   1.894  -5.511
   13   2HD   ARG   2          1HD       ARG   2  -1.740   0.794  -6.887
   14    HE   ARG   2           HE       ARG   2  -3.637   3.040  -6.305
   15   1HH1  ARG   2          1HH1      ARG   2  -4.064   0.726  -8.352
   16   2HH1  ARG   2          2HH1      ARG   2  -3.686   1.557  -9.824
   17   1HH2  ARG   2          1HH2      ARG   2  -2.184   4.246  -8.231
   18   2HH2  ARG   2          2HH2      ARG   2  -2.626   3.551  -9.756
   19    H    ASN   3           H        ASN   3  -1.533  -3.262  -4.813
   20    HA   ASN   3           HA       ASN   3  -1.849  -4.959  -2.448
   21   1HB   ASN   3          2HB       ASN   3   0.440  -4.927  -4.401
   22   2HB   ASN   3          1HB       ASN   3  -0.211  -6.307  -3.514
   23   1HD2  ASN   3          1HD2      ASN   3  -0.558  -4.373  -6.404
   24   2HD2  ASN   3          2HD2      ASN   3  -1.867  -5.232  -7.062
   25    H    ASP   4           H        ASP   4   0.855  -5.450  -1.802
   26    HA   ASP   4           HA       ASP   4   1.525  -2.817  -0.560
   27   1HB   ASP   4          2HB       ASP   4   1.424  -5.572   0.373
   28   2HB   ASP   4          1HB       ASP   4   2.895  -4.739   0.845
   29    HA   PRO   5           HA       PRO   5   4.910  -4.033  -3.501
   30   1HB   PRO   5          2HB       PRO   5   4.864  -1.657  -4.890
   31   2HB   PRO   5          1HB       PRO   5   3.893  -3.062  -5.353
   32   1HG   PRO   5          2HG       PRO   5   3.074  -0.665  -3.761
   33   2HG   PRO   5          1HG       PRO   5   2.223  -1.465  -5.092
   34   1HD   PRO   5          2HD       PRO   5   1.538  -1.916  -2.546
   35   2HD   PRO   5          1HD       PRO   5   1.491  -3.226  -3.746
   36    H    CYS   6           H        CYS   6   5.463  -0.692  -3.633
   37    HA   CYS   6           HA       CYS   6   7.262   0.476  -2.562
   38   1HB   CYS   6          2HB       CYS   6   6.168   1.409  -0.586
   39   2HB   CYS   6          1HB       CYS   6   4.947   1.043  -1.773
   40    HA   PRO   7           HA       PRO   7   9.506  -2.162   0.292
   41   1HB   PRO   7          2HB       PRO   7   9.900  -0.933   2.674
   42   2HB   PRO   7          1HB       PRO   7  10.595  -0.317   1.162
   43   1HG   PRO   7          2HG       PRO   7   8.471   0.777   2.785
   44   2HG   PRO   7          1HG       PRO   7   9.382   1.533   1.477
   45   1HD   PRO   7          2HD       PRO   7   6.735   0.324   1.421
   46   2HD   PRO   7          1HD       PRO   7   7.551   1.319   0.196
   47    H    CYS   8           H        CYS   8   6.442  -2.266   0.629
   48    HA   CYS   8           HA       CYS   8   6.259  -3.326   3.382
   49   1HB   CYS   8          2HB       CYS   8   4.277  -2.581   1.233
   50   2HB   CYS   8          1HB       CYS   8   3.779  -3.393   2.713
   51    H    GLY   9           H        GLY   9   5.631  -4.320   0.017
   52   1HA   GLY   9          2HA       GLY   9   5.339  -6.451  -0.928
   53   2HA   GLY   9          1HA       GLY   9   6.568  -6.957   0.230
   54    H    SER  10           H        SER  10   3.033  -6.483  -0.111
   55    HA   SER  10           HA       SER  10   2.493  -8.907   1.339
   56   1HB   SER  10          2HB       SER  10   1.901  -8.007   3.401
   57   2HB   SER  10          1HB       SER  10   3.313  -7.054   2.982
   58    HG   SER  10           HG       SER  10   1.425  -5.844   3.701
   59    H    GLY  11           H        GLY  11   0.025  -7.207   2.409
   60   1HA   GLY  11          2HA       GLY  11  -1.511  -7.453  -0.135
   61   2HA   GLY  11          1HA       GLY  11  -2.197  -7.748   1.457
   62    H    LYS  12           H        LYS  12  -3.024  -5.998   2.624
   63    HA   LYS  12           HA       LYS  12  -3.398  -3.506   1.094
   64   1HB   LYS  12          2HB       LYS  12  -4.663  -4.945   3.385
   65   2HB   LYS  12          1HB       LYS  12  -4.937  -3.209   3.244
   66   1HG   LYS  12          2HG       LYS  12  -6.362  -3.490   1.521
   67   2HG   LYS  12          1HG       LYS  12  -5.222  -4.535   0.670
   68   1HD   LYS  12          2HD       LYS  12  -7.086  -5.392   2.906
   69   2HD   LYS  12          1HD       LYS  12  -7.285  -5.768   1.195
   70   1HE   LYS  12          2HE       LYS  12  -4.683  -6.607   1.720
   71   2HE   LYS  12          1HE       LYS  12  -5.578  -7.077   3.179
   72   1HZ   LYS  12          1HZ       LYS  12  -5.688  -8.687   1.248
   73   2HZ   LYS  12          2HZ       LYS  12  -6.643  -7.530   0.451
   74   3HZ   LYS  12          3HZ       LYS  12  -7.176  -8.216   1.910
   75    H    LYS  13           H        LYS  13  -1.381  -4.574   3.629
   76    HA   LYS  13           HA       LYS  13  -1.136  -2.532   5.442
   77   1HB   LYS  13          2HB       LYS  13   0.301  -4.459   5.496
   78   2HB   LYS  13          1HB       LYS  13   0.999  -4.040   3.934
   79   1HG   LYS  13          2HG       LYS  13   2.646  -3.120   5.216
   80   2HG   LYS  13          1HG       LYS  13   1.529  -1.764   5.322
   81   1HD   LYS  13          2HD       LYS  13   1.331  -2.063   7.539
   82   2HD   LYS  13          1HD       LYS  13   0.793  -3.725   7.286
   83   1HE   LYS  13          2HE       LYS  13   2.804  -4.544   7.944
   84   2HE   LYS  13          1HE       LYS  13   3.670  -3.451   6.849
   85   1HZ   LYS  13          1HZ       LYS  13   2.364  -2.181   9.105
   86   2HZ   LYS  13          2HZ       LYS  13   3.896  -1.886   8.428
   87   3HZ   LYS  13          3HZ       LYS  13   3.675  -3.177   9.509
   88    H    TYR  14           H        TYR  14  -0.499  -2.307   2.071
   89    HA   TYR  14           HA       TYR  14   1.085   0.088   2.052
   90   1HB   TYR  14          2HB       TYR  14   0.729  -1.627   0.257
   91   2HB   TYR  14          1HB       TYR  14  -0.882  -0.970   0.025
   92    HD1  TYR  14           HD1      TYR  14  -0.879   1.747  -0.123
   93    HD2  TYR  14           HD2      TYR  14   2.403  -0.820  -1.172
   94    HE1  TYR  14           HE1      TYR  14   0.053   3.534  -1.554
   95    HE2  TYR  14           HE2      TYR  14   3.329   0.971  -2.614
   96    HH   TYR  14           HH       TYR  14   1.562   3.975  -3.189
   97    H    LYS  15           H        LYS  15  -2.426  -0.508   1.545
   98    HA   LYS  15           HA       LYS  15  -3.200   2.178   1.207
   99   1HB   LYS  15          2HB       LYS  15  -5.370   1.361   1.581
  100   2HB   LYS  15          1HB       LYS  15  -4.499  -0.100   1.128
  101   1HG   LYS  15          2HG       LYS  15  -4.169  -0.628   3.523
  102   2HG   LYS  15          1HG       LYS  15  -5.085   0.812   3.954
  103   1HD   LYS  15          2HD       LYS  15  -6.229  -1.335   2.163
  104   2HD   LYS  15          1HD       LYS  15  -6.390  -1.398   3.918
  105   1HE   LYS  15          2HE       LYS  15  -7.401   0.922   3.829
  106   2HE   LYS  15          1HE       LYS  15  -7.427   0.768   2.062
  107   1HZ   LYS  15          1HZ       LYS  15  -9.464  -0.045   3.384
  108   2HZ   LYS  15          2HZ       LYS  15  -8.495  -1.385   3.773
  109   3HZ   LYS  15          3HZ       LYS  15  -8.854  -1.035   2.150
  110    H    GLN  16           H        GLN  16  -2.563   0.339   4.173
  111    HA   GLN  16           HA       GLN  16  -3.183   2.607   5.944
  112   1HB   GLN  16          2HB       GLN  16  -1.635   0.094   6.621
  113   2HB   GLN  16          1HB       GLN  16  -2.669   1.051   7.678
  114   1HG   GLN  16          2HG       GLN  16  -4.015  -0.083   5.297
  115   2HG   GLN  16          1HG       GLN  16  -3.458  -1.264   6.476
  116   1HE2  GLN  16          1HE2      GLN  16  -5.097  -1.734   7.938
  117   2HE2  GLN  16          2HE2      GLN  16  -6.213  -0.613   8.553
  118    H    CYS  17           H        CYS  17  -0.430   1.271   4.264
  119    HA   CYS  17           HA       CYS  17   1.525   2.810   5.882
  120   1HB   CYS  17          2HB       CYS  17   2.105   0.545   5.299
  121   2HB   CYS  17          1HB       CYS  17   1.668   0.808   3.616
  122    H    HIS  18           H        HIS  18   1.099   2.368   2.358
  123    HA   HIS  18           HA       HIS  18   1.977   5.192   1.974
  124   1HB   HIS  18          2HB       HIS  18   2.028   2.655   0.350
  125   2HB   HIS  18          1HB       HIS  18   2.268   4.222  -0.423
  126    HD1  HIS  18           HD1      HIS  18   4.734   2.832  -0.725
  127    HD2  HIS  18           HD2      HIS  18   3.838   4.532   2.975
  128    HE1  HIS  18           HE1      HIS  18   6.935   3.067   0.508
  129    H    GLY  19           H        GLY  19  -0.929   3.767   2.348
  130   1HA   GLY  19          2HA       GLY  19  -2.214   4.795  -0.093
  131   2HA   GLY  19          1HA       GLY  19  -3.032   3.981   1.241
  132    H    ARG  20           H        ARG  20  -0.871   6.491   2.158
  133    HA   ARG  20           HA       ARG  20  -1.265   8.673   3.004
  134   1HB   ARG  20          2HB       ARG  20  -3.942   8.709   1.651
  135   2HB   ARG  20          1HB       ARG  20  -2.720   9.976   1.736
  136   1HG   ARG  20          2HG       ARG  20  -1.318   8.251   0.299
  137   2HG   ARG  20          1HG       ARG  20  -2.914   7.654  -0.139
  138   1HD   ARG  20          2HD       ARG  20  -2.707  10.592  -0.227
  139   2HD   ARG  20          1HD       ARG  20  -1.667   9.758  -1.400
  140    HE   ARG  20           HE       ARG  20  -4.339   8.607  -1.259
  141   1HH1  ARG  20          1HH1      ARG  20  -2.193   9.427  -3.508
  142   2HH1  ARG  20          2HH1      ARG  20  -3.241  10.366  -4.517
  143   1HH2  ARG  20          1HH2      ARG  20  -5.791  10.528  -2.176
  144   2HH2  ARG  20          2HH2      ARG  20  -5.278  10.987  -3.765
  145    H    LEU  21           H        LEU  21  -3.301   9.902   4.151
  146    HA   LEU  21           HA       LEU  21  -4.312   7.938   6.125
  147   1HB   LEU  21          2HB       LEU  21  -4.706   9.906   7.485
  148   2HB   LEU  21          1HB       LEU  21  -3.129  10.108   6.723
  149    HG   LEU  21           HG       LEU  21  -5.162  11.120   4.959
  150   1HD1  LEU  21          1HD1      LEU  21  -6.548  12.307   6.286
  151   2HD1  LEU  21          2HD1      LEU  21  -5.193  12.960   7.206
  152   3HD1  LEU  21          3HD1      LEU  21  -5.895  11.405   7.654
  153   1HD2  LEU  21          1HD2      LEU  21  -2.555  11.679   5.723
  154   2HD2  LEU  21          2HD2      LEU  21  -3.460  13.060   6.345
  155   3HD2  LEU  21          3HD2      LEU  21  -3.534  12.658   4.630
  156    H    GLN  22           HN       GLN  22  -5.366   8.008   3.435
  157    HA   GLN  22           HA       GLN  22  -7.441   8.169   2.278
  158   1HB   GLN  22          2HB       GLN  22  -8.408   7.588   5.092
  159   2HB   GLN  22          1HB       GLN  22  -9.171   7.090   3.581
  160   1HG   GLN  22          2HG       GLN  22  -7.039   5.817   3.051
  161   2HG   GLN  22          1HG       GLN  22  -6.527   6.140   4.707
  162   1HE2  GLN  22          1HE2      GLN  22  -8.566   5.634   6.332
  163   2HE2  GLN  22          2HE2      GLN  22  -9.260   4.107   6.078
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -5.985  -5.442   0.088
    2   2H    GLY   1          2HT       GLY   1  -7.474  -5.955  -0.553
    3   3H    GLY   1          3HT       GLY   1  -7.129  -4.296  -0.419
    4   1HA   GLY   1          2HA       GLY   1  -6.782  -5.795  -2.649
    5   2HA   GLY   1          1HA       GLY   1  -6.023  -4.232  -2.335
    6    H    ARG   2           H        ARG   2  -4.925  -6.550  -3.810
    7    HA   ARG   2           HA       ARG   2  -2.711  -7.453  -2.033
    8   1HB   ARG   2          2HB       ARG   2  -3.896  -8.270  -4.676
    9   2HB   ARG   2          1HB       ARG   2  -2.287  -8.828  -4.223
   10   1HG   ARG   2          2HG       ARG   2  -4.680  -9.141  -2.401
   11   2HG   ARG   2          1HG       ARG   2  -4.215 -10.372  -3.576
   12   1HD   ARG   2          2HD       ARG   2  -2.031  -9.345  -1.831
   13   2HD   ARG   2          1HD       ARG   2  -3.249 -10.377  -1.056
   14    HE   ARG   2           HE       ARG   2  -2.556 -12.184  -2.446
   15   1HH1  ARG   2          1HH2      ARG   2  -0.117 -10.030  -2.360
   16   2HH1  ARG   2          2HH2      ARG   2   0.522 -10.348  -3.938
   17   1HH2  ARG   2          1HH1      ARG   2  -2.205 -12.236  -4.953
   18   2HH2  ARG   2          2HH1      ARG   2  -0.662 -11.593  -5.407
   19    H    ASN   3           H        ASN   3  -2.463  -4.737  -2.610
   20    HA   ASN   3           HA       ASN   3  -0.226  -4.778  -4.599
   21   1HB   ASN   3          2HB       ASN   3  -1.728  -2.251  -4.340
   22   2HB   ASN   3          1HB       ASN   3  -1.136  -3.059  -5.788
   23   1HD2  ASN   3          1HD2      ASN   3  -2.574  -4.512  -6.903
   24   2HD2  ASN   3          2HD2      ASN   3  -4.206  -4.692  -6.469
   25    H    ASP   4           H        ASP   4   0.721  -5.050  -2.149
   26    HA   ASP   4           HA       ASP   4   1.167  -2.278  -1.107
   27   1HB   ASP   4          2HB       ASP   4   1.309  -5.006   0.176
   28   2HB   ASP   4          1HB       ASP   4   1.875  -3.548   0.980
   29    HA   PRO   5           HA       PRO   5   4.995  -3.784  -3.281
   30   1HB   PRO   5          2HB       PRO   5   5.404  -1.423  -4.615
   31   2HB   PRO   5          1HB       PRO   5   4.370  -2.720  -5.232
   32   1HG   PRO   5          2HG       PRO   5   3.578  -0.265  -3.717
   33   2HG   PRO   5          1HG       PRO   5   2.872  -0.935  -5.194
   34   1HD   PRO   5          2HD       PRO   5   1.719  -1.358  -2.841
   35   2HD   PRO   5          1HD       PRO   5   1.793  -2.648  -4.064
   36    H    CYS   6           H        CYS   6   5.825  -0.479  -3.316
   37    HA   CYS   6           HA       CYS   6   7.614   0.545  -2.151
   38   1HB   CYS   6          2HB       CYS   6   6.606   1.398  -0.107
   39   2HB   CYS   6          1HB       CYS   6   5.344   1.170  -1.285
   40    HA   PRO   7           HA       PRO   7   9.794  -2.383   0.399
   41   1HB   PRO   7          2HB       PRO   7  10.303  -1.370   2.863
   42   2HB   PRO   7          1HB       PRO   7  11.003  -0.680   1.386
   43   1HG   PRO   7          2HG       PRO   7   8.972   0.399   3.134
   44   2HG   PRO   7          1HG       PRO   7   9.908   1.204   1.876
   45   1HD   PRO   7          2HD       PRO   7   7.192   0.179   1.770
   46   2HD   PRO   7          1HD       PRO   7   8.064   1.187   0.594
   47    H    CYS   8           H        CYS   8   6.733  -2.296   0.835
   48    HA   CYS   8           HA       CYS   8   6.564  -3.649   3.444
   49   1HB   CYS   8          2HB       CYS   8   4.527  -2.564   1.499
   50   2HB   CYS   8          1HB       CYS   8   4.080  -3.433   2.958
   51    H    GLY   9           H        GLY   9   5.234  -4.191   0.148
   52   1HA   GLY   9          2HA       GLY   9   4.981  -6.200  -1.058
   53   2HA   GLY   9          1HA       GLY   9   6.126  -6.940   0.059
   54    H    SER  10           H        SER  10   2.694  -6.070  -0.319
   55    HA   SER  10           HA       SER  10   1.870  -8.485   1.052
   56   1HB   SER  10          2HB       SER  10   0.992  -7.291   3.006
   57   2HB   SER  10          1HB       SER  10   2.728  -7.063   2.869
   58    HG   SER  10           HG       SER  10   2.423  -5.018   2.368
   59    H    GLY  11           H        GLY  11  -0.431  -6.463   2.031
   60   1HA   GLY  11          2HA       GLY  11  -1.726  -5.893  -0.548
   61   2HA   GLY  11          1HA       GLY  11  -2.515  -7.115   0.445
   62    H    LYS  12           H        LYS  12  -2.035  -5.933   3.010
   63    HA   LYS  12           HA       LYS  12  -3.972  -3.682   2.840
   64   1HB   LYS  12          2HB       LYS  12  -3.194  -5.785   4.799
   65   2HB   LYS  12          1HB       LYS  12  -3.818  -4.270   5.453
   66   1HG   LYS  12          2HG       LYS  12  -5.924  -4.607   4.603
   67   2HG   LYS  12          1HG       LYS  12  -5.327  -5.461   3.180
   68   1HD   LYS  12          2HD       LYS  12  -6.574  -6.924   4.822
   69   2HD   LYS  12          1HD       LYS  12  -4.936  -7.470   4.460
   70   1HE   LYS  12          2HE       LYS  12  -4.147  -6.938   6.571
   71   2HE   LYS  12          1HE       LYS  12  -5.298  -5.602   6.775
   72   1HZ   LYS  12          1HZ       LYS  12  -5.983  -7.474   8.120
   73   2HZ   LYS  12          2HZ       LYS  12  -5.955  -8.501   6.768
   74   3HZ   LYS  12          3HZ       LYS  12  -7.095  -7.246   6.861
   75    H    LYS  13           H        LYS  13  -0.855  -4.509   4.222
   76    HA   LYS  13           HA       LYS  13  -0.160  -2.383   5.794
   77   1HB   LYS  13          2HB       LYS  13   1.372  -4.169   5.335
   78   2HB   LYS  13          1HB       LYS  13   1.400  -3.761   3.618
   79   1HG   LYS  13          2HG       LYS  13   3.405  -2.856   4.541
   80   2HG   LYS  13          1HG       LYS  13   2.325  -1.488   4.300
   81   1HD   LYS  13          2HD       LYS  13   2.482  -0.991   6.488
   82   2HD   LYS  13          1HD       LYS  13   1.774  -2.557   6.882
   83   1HE   LYS  13          2HE       LYS  13   4.004  -3.605   6.821
   84   2HE   LYS  13          1HE       LYS  13   4.730  -2.043   6.393
   85   1HZ   LYS  13          1HZ       LYS  13   3.976  -1.091   8.411
   86   2HZ   LYS  13          2HZ       LYS  13   4.713  -2.561   8.831
   87   3HZ   LYS  13          3HZ       LYS  13   3.019  -2.440   8.784
   88    H    TYR  14           H        TYR  14   1.054  -2.233   2.547
   89    HA   TYR  14           HA       TYR  14   1.616   0.375   2.163
   90   1HB   TYR  14          2HB       TYR  14   1.579  -1.601   0.578
   91   2HB   TYR  14          1HB       TYR  14  -0.099  -1.176   0.253
   92    HD1  TYR  14           HD1      TYR  14   3.136  -0.754  -0.926
   93    HD2  TYR  14           HD2      TYR  14  -0.391   1.543  -0.079
   94    HE1  TYR  14           HE1      TYR  14   3.934   1.034  -2.434
   95    HE2  TYR  14           HE2      TYR  14   0.407   3.329  -1.585
   96    HH   TYR  14           HH       TYR  14   3.327   3.805  -2.488
   97    H    LYS  15           H        LYS  15  -1.700  -0.876   1.609
   98    HA   LYS  15           HA       LYS  15  -3.027   1.494   1.043
   99   1HB   LYS  15          2HB       LYS  15  -3.629  -1.117   2.243
  100   2HB   LYS  15          1HB       LYS  15  -4.729   0.151   2.786
  101   1HG   LYS  15          2HG       LYS  15  -4.228   0.351  -0.071
  102   2HG   LYS  15          1HG       LYS  15  -4.863  -1.238   0.357
  103   1HD   LYS  15          2HD       LYS  15  -6.133   1.249   1.483
  104   2HD   LYS  15          1HD       LYS  15  -6.550   0.695  -0.140
  105   1HE   LYS  15          2HE       LYS  15  -7.165  -1.529   0.784
  106   2HE   LYS  15          1HE       LYS  15  -6.797  -0.935   2.416
  107   1HZ   LYS  15          1HZ       LYS  15  -8.487   0.782   0.797
  108   2HZ   LYS  15          2HZ       LYS  15  -8.600   0.391   2.446
  109   3HZ   LYS  15          3HZ       LYS  15  -9.199  -0.683   1.274
  110    H    GLN  16           H        GLN  16  -2.213   0.184   4.250
  111    HA   GLN  16           HA       GLN  16  -3.144   2.606   5.643
  112   1HB   GLN  16          2HB       GLN  16  -1.509   0.291   6.714
  113   2HB   GLN  16          1HB       GLN  16  -2.629   1.322   7.600
  114   1HG   GLN  16          2HG       GLN  16  -3.403  -0.613   5.394
  115   2HG   GLN  16          1HG       GLN  16  -3.634  -0.886   7.119
  116   1HE2  GLN  16          1HE2      GLN  16  -5.810  -0.562   7.596
  117   2HE2  GLN  16          2HE2      GLN  16  -6.762   0.708   6.994
  118    H    CYS  17           H        CYS  17  -0.160   1.263   4.391
  119    HA   CYS  17           HA       CYS  17   1.556   3.120   5.909
  120   1HB   CYS  17          2HB       CYS  17   2.449   0.947   5.502
  121   2HB   CYS  17          1HB       CYS  17   1.927   0.964   3.826
  122    H    HIS  18           H        HIS  18   1.339   2.459   2.398
  123    HA   HIS  18           HA       HIS  18   1.823   5.367   1.906
  124   1HB   HIS  18          2HB       HIS  18   2.361   2.832   0.361
  125   2HB   HIS  18          1HB       HIS  18   2.616   4.441  -0.317
  126    HD1  HIS  18           HD1      HIS  18   4.790   2.149   0.556
  127    HD2  HIS  18           HD2      HIS  18   3.982   5.750   2.484
  128    HE1  HIS  18           HE1      HIS  18   6.860   2.716   1.891
  129    H    GLY  19           H        GLY  19  -0.839   3.478   2.085
  130   1HA   GLY  19          2HA       GLY  19  -1.994   4.494  -0.476
  131   2HA   GLY  19          1HA       GLY  19  -2.660   3.162   0.463
  132    H    ARG  20           H        ARG  20  -2.119   4.869   2.971
  133    HA   ARG  20           HA       ARG  20  -4.713   6.317   2.836
  134   1HB   ARG  20          2HB       ARG  20  -3.739   4.585   4.626
  135   2HB   ARG  20          1HB       ARG  20  -3.060   6.061   5.314
  136   1HG   ARG  20          2HG       ARG  20  -5.071   6.730   6.085
  137   2HG   ARG  20          1HG       ARG  20  -5.837   6.435   4.523
  138   1HD   ARG  20          2HD       ARG  20  -5.204   3.895   5.713
  139   2HD   ARG  20          1HD       ARG  20  -6.103   4.875   6.889
  140    HE   ARG  20           HE       ARG  20  -7.225   5.068   4.210
  141   1HH1  ARG  20          1HH1      ARG  20  -6.755   2.357   6.084
  142   2HH1  ARG  20          2HH1      ARG  20  -8.432   1.991   6.315
  143   1HH2  ARG  20          1HH2      ARG  20  -9.543   4.975   4.936
  144   2HH2  ARG  20          2HH2      ARG  20 -10.012   3.475   5.665
  145    H    LEU  21           H        LEU  21  -3.581   8.045   1.463
  146    HA   LEU  21           HA       LEU  21  -1.855   9.858   3.093
  147   1HB   LEU  21          2HB       LEU  21  -1.127  10.709   0.977
  148   2HB   LEU  21          1HB       LEU  21  -1.248   8.963   0.759
  149    HG   LEU  21           HG       LEU  21  -3.816   9.974   0.193
  150   1HD1  LEU  21          1HD1      LEU  21  -2.252  12.145  -0.017
  151   2HD1  LEU  21          2HD1      LEU  21  -3.594  11.850  -1.123
  152   3HD1  LEU  21          3HD1      LEU  21  -1.948  11.445  -1.608
  153   1HD2  LEU  21          1HD2      LEU  21  -1.511   8.878  -1.407
  154   2HD2  LEU  21          2HD2      LEU  21  -2.989   9.393  -2.220
  155   3HD2  LEU  21          3HD2      LEU  21  -3.048   8.110  -1.012
  156    H    GLN  22           HN       GLN  22  -4.437   9.929   3.970
  157    HA   GLN  22           HA       GLN  22  -6.319  11.335   4.250
  158   1HB   GLN  22          2HB       GLN  22  -3.878  12.895   3.744
  159   2HB   GLN  22          1HB       GLN  22  -5.361  13.795   3.425
  160   1HG   GLN  22          2HG       GLN  22  -6.185  13.394   5.644
  161   2HG   GLN  22          1HG       GLN  22  -4.903  12.226   5.972
  162   1HE2  GLN  22          1HE2      GLN  22  -2.656  13.634   4.965
  163   2HE2  GLN  22          2HE2      GLN  22  -2.419  15.034   5.896
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -5.255 -11.271  -5.165
    2   2H    GLY   1          2HT       GLY   1  -4.537 -10.052  -6.107
    3   3H    GLY   1          3HT       GLY   1  -6.090 -10.623  -6.492
    4   1HA   GLY   1          2HA       GLY   1  -6.366  -8.535  -5.433
    5   2HA   GLY   1          1HA       GLY   1  -6.872  -9.788  -4.297
    6    H    ARG   2           H        ARG   2  -4.285  -7.552  -5.115
    7    HA   ARG   2           HA       ARG   2  -3.579  -7.024  -2.396
    8   1HB   ARG   2          2HB       ARG   2  -2.356  -8.858  -1.929
    9   2HB   ARG   2          1HB       ARG   2  -2.581  -9.465  -3.558
   10   1HG   ARG   2          2HG       ARG   2  -0.667  -7.915  -4.248
   11   2HG   ARG   2          1HG       ARG   2  -0.359  -7.700  -2.524
   12   1HD   ARG   2          2HD       ARG   2   0.832  -9.630  -2.553
   13   2HD   ARG   2          1HD       ARG   2  -0.655 -10.500  -2.977
   14    HE   ARG   2           HE       ARG   2  -0.122  -9.772  -5.393
   15   1HH1  ARG   2          1HH2      ARG   2   2.454  -8.660  -3.736
   16   2HH1  ARG   2          2HH2      ARG   2   3.653  -9.663  -4.481
   17   1HH2  ARG   2          1HH1      ARG   2   1.340 -11.732  -6.034
   18   2HH2  ARG   2          2HH1      ARG   2   3.023 -11.407  -5.779
   19    H    ASN   3           H        ASN   3  -2.036  -5.325  -2.321
   20    HA   ASN   3           HA       ASN   3  -0.428  -4.848  -4.691
   21   1HB   ASN   3          2HB       ASN   3  -2.014  -2.453  -4.000
   22   2HB   ASN   3          1HB       ASN   3  -1.573  -3.073  -5.587
   23   1HD2  ASN   3          1HD2      ASN   3  -3.420  -3.606  -6.758
   24   2HD2  ASN   3          2HD2      ASN   3  -4.821  -4.311  -6.109
   25    H    ASP   4           H        ASP   4   0.766  -5.279  -2.327
   26    HA   ASP   4           HA       ASP   4   1.191  -2.555  -1.161
   27   1HB   ASP   4          2HB       ASP   4   1.636  -5.318  -0.036
   28   2HB   ASP   4          1HB       ASP   4   1.976  -3.822   0.827
   29    HA   PRO   5           HA       PRO   5   4.977  -3.723  -3.580
   30   1HB   PRO   5          2HB       PRO   5   5.157  -1.279  -4.823
   31   2HB   PRO   5          1HB       PRO   5   4.160  -2.600  -5.450
   32   1HG   PRO   5          2HG       PRO   5   3.323  -0.284  -3.746
   33   2HG   PRO   5          1HG       PRO   5   2.574  -0.896  -5.226
   34   1HD   PRO   5          2HD       PRO   5   1.579  -1.530  -2.854
   35   2HD   PRO   5          1HD       PRO   5   1.656  -2.739  -4.157
   36    H    CYS   6           H        CYS   6   5.762  -0.473  -3.549
   37    HA   CYS   6           HA       CYS   6   7.480   0.585  -2.308
   38   1HB   CYS   6          2HB       CYS   6   6.283   1.522  -0.392
   39   2HB   CYS   6          1HB       CYS   6   5.151   1.253  -1.683
   40    HA   PRO   7           HA       PRO   7   9.418  -2.182   0.623
   41   1HB   PRO   7          2HB       PRO   7   9.642  -1.031   3.075
   42   2HB   PRO   7          1HB       PRO   7  10.505  -0.422   1.648
   43   1HG   PRO   7          2HG       PRO   7   8.305   0.752   3.096
   44   2HG   PRO   7          1HG       PRO   7   9.360   1.477   1.882
   45   1HD   PRO   7          2HD       PRO   7   6.666   0.406   1.578
   46   2HD   PRO   7          1HD       PRO   7   7.638   1.366   0.442
   47    H    CYS   8           H        CYS   8   6.348  -2.164   0.683
   48    HA   CYS   8           HA       CYS   8   5.817  -3.289   3.343
   49   1HB   CYS   8          2HB       CYS   8   4.181  -2.530   0.934
   50   2HB   CYS   8          1HB       CYS   8   3.468  -3.483   2.229
   51    H    GLY   9           H        GLY   9   5.884  -4.279  -0.076
   52   1HA   GLY   9          2HA       GLY   9   5.723  -6.439  -1.036
   53   2HA   GLY   9          1HA       GLY   9   6.843  -6.863   0.257
   54    H    SER  10           H        SER  10   3.304  -6.195  -0.048
   55    HA   SER  10           HA       SER  10   2.672  -8.796   1.088
   56   1HB   SER  10          2HB       SER  10   2.231  -8.082   3.236
   57   2HB   SER  10          1HB       SER  10   3.574  -7.029   2.843
   58    HG   SER  10           HG       SER  10   2.249  -5.370   2.767
   59    H    GLY  11           H        GLY  11   0.272  -7.292   2.341
   60   1HA   GLY  11          2HA       GLY  11  -1.195  -6.409  -0.069
   61   2HA   GLY  11          1HA       GLY  11  -1.842  -7.800   0.800
   62    H    LYS  12           H        LYS  12  -2.984  -5.067   0.435
   63    HA   LYS  12           HA       LYS  12  -4.286  -3.599   1.739
   64   1HB   LYS  12          2HB       LYS  12  -3.784  -5.990   3.365
   65   2HB   LYS  12          1HB       LYS  12  -4.193  -4.556   4.308
   66   1HG   LYS  12          2HG       LYS  12  -6.246  -4.247   3.092
   67   2HG   LYS  12          1HG       LYS  12  -5.801  -5.483   1.916
   68   1HD   LYS  12          2HD       LYS  12  -6.413  -5.911   4.854
   69   2HD   LYS  12          1HD       LYS  12  -7.376  -6.456   3.481
   70   1HE   LYS  12          2HE       LYS  12  -4.924  -7.544   2.876
   71   2HE   LYS  12          1HE       LYS  12  -4.950  -7.661   4.648
   72   1HZ   LYS  12          1HZ       LYS  12  -7.328  -8.450   4.349
   73   2HZ   LYS  12          2HZ       LYS  12  -6.104  -9.548   3.921
   74   3HZ   LYS  12          3HZ       LYS  12  -6.942  -8.689   2.716
   75    H    LYS  13           H        LYS  13  -1.590  -4.649   3.744
   76    HA   LYS  13           HA       LYS  13  -0.973  -2.673   5.400
   77   1HB   LYS  13          2HB       LYS  13   0.487  -4.553   4.983
   78   2HB   LYS  13          1HB       LYS  13   0.870  -3.932   3.378
   79   1HG   LYS  13          2HG       LYS  13   2.702  -3.121   4.504
   80   2HG   LYS  13          1HG       LYS  13   1.589  -1.788   4.811
   81   1HD   LYS  13          2HD       LYS  13   1.101  -3.797   6.781
   82   2HD   LYS  13          1HD       LYS  13   2.842  -3.517   6.716
   83   1HE   LYS  13          2HE       LYS  13   2.505  -1.107   7.015
   84   2HE   LYS  13          1HE       LYS  13   0.746  -1.334   6.996
   85   1HZ   LYS  13          1HZ       LYS  13   1.465  -1.336   9.264
   86   2HZ   LYS  13          2HZ       LYS  13   2.674  -2.485   8.941
   87   3HZ   LYS  13          3HZ       LYS  13   1.036  -2.926   8.855
   88    H    TYR  14           H        TYR  14   0.046  -2.395   2.049
   89    HA   TYR  14           HA       TYR  14   1.094   0.152   1.975
   90   1HB   TYR  14          2HB       TYR  14   0.687  -1.572   0.168
   91   2HB   TYR  14          1HB       TYR  14  -0.923  -0.883   0.006
   92    HD1  TYR  14           HD1      TYR  14  -1.069   1.694  -0.293
   93    HD2  TYR  14           HD2      TYR  14   2.520  -0.570  -0.978
   94    HE1  TYR  14           HE1      TYR  14  -0.151   3.560  -1.627
   95    HE2  TYR  14           HE2      TYR  14   3.433   1.298  -2.320
   96    HH   TYR  14           HH       TYR  14   1.513   4.249  -2.917
   97    H    LYS  15           H        LYS  15  -2.400  -0.570   1.535
   98    HA   LYS  15           HA       LYS  15  -3.396   2.020   1.378
   99   1HB   LYS  15          2HB       LYS  15  -4.320  -0.627   2.148
  100   2HB   LYS  15          1HB       LYS  15  -5.137   0.615   3.097
  101   1HG   LYS  15          2HG       LYS  15  -5.137   1.698   0.549
  102   2HG   LYS  15          1HG       LYS  15  -5.395  -0.021   0.245
  103   1HD   LYS  15          2HD       LYS  15  -7.347  -0.081   1.593
  104   2HD   LYS  15          1HD       LYS  15  -6.973   1.472   2.344
  105   1HE   LYS  15          2HE       LYS  15  -7.143   2.430  -0.081
  106   2HE   LYS  15          1HE       LYS  15  -8.027   0.930  -0.429
  107   1HZ   LYS  15          1HZ       LYS  15  -8.708   3.088   1.449
  108   2HZ   LYS  15          2HZ       LYS  15  -9.215   1.504   1.793
  109   3HZ   LYS  15          3HZ       LYS  15  -9.708   2.264   0.357
  110    H    GLN  16           H        GLN  16  -2.577   0.180   4.324
  111    HA   GLN  16           HA       GLN  16  -3.138   2.456   6.099
  112   1HB   GLN  16          2HB       GLN  16  -1.602  -0.097   6.664
  113   2HB   GLN  16          1HB       GLN  16  -2.481   0.901   7.820
  114   1HG   GLN  16          2HG       GLN  16  -3.936  -0.325   5.489
  115   2HG   GLN  16          1HG       GLN  16  -3.598  -1.290   6.925
  116   1HE2  GLN  16          1HE2      GLN  16  -6.261  -0.325   5.972
  117   2HE2  GLN  16          2HE2      GLN  16  -6.893   0.612   7.239
  118    H    CYS  17           H        CYS  17  -0.448   1.247   4.263
  119    HA   CYS  17           HA       CYS  17   1.531   2.804   5.844
  120   1HB   CYS  17          2HB       CYS  17   2.150   0.565   5.155
  121   2HB   CYS  17          1HB       CYS  17   1.671   0.897   3.498
  122    H    HIS  18           H        HIS  18   1.113   2.410   2.312
  123    HA   HIS  18           HA       HIS  18   1.711   5.314   1.988
  124   1HB   HIS  18          2HB       HIS  18   1.885   2.841   0.281
  125   2HB   HIS  18          1HB       HIS  18   1.982   4.445  -0.445
  126    HD1  HIS  18           HD1      HIS  18   4.301   2.145   0.086
  127    HD2  HIS  18           HD2      HIS  18   3.869   5.855   1.923
  128    HE1  HIS  18           HE1      HIS  18   6.584   2.765   0.990
  129    H    GLY  19           H        GLY  19  -1.042   3.612   2.389
  130   1HA   GLY  19          2HA       GLY  19  -2.554   4.368   0.036
  131   2HA   GLY  19          1HA       GLY  19  -3.240   3.821   1.567
  132    H    ARG  20           H        ARG  20  -1.892   5.838   3.170
  133    HA   ARG  20           HA       ARG  20  -3.027   8.400   2.150
  134   1HB   ARG  20          2HB       ARG  20  -4.520   6.802   3.704
  135   2HB   ARG  20          1HB       ARG  20  -3.583   7.586   4.974
  136   1HG   ARG  20          2HG       ARG  20  -4.279   9.788   4.190
  137   2HG   ARG  20          1HG       ARG  20  -5.124   9.066   2.821
  138   1HD   ARG  20          2HD       ARG  20  -6.190   7.707   5.008
  139   2HD   ARG  20          1HD       ARG  20  -6.031   9.378   5.586
  140    HE   ARG  20           HE       ARG  20  -7.138   9.085   2.871
  141   1HH1  ARG  20          1HH2      ARG  20  -7.394  11.141   5.318
  142   2HH1  ARG  20          2HH2      ARG  20  -9.106  11.036   5.555
  143   1HH2  ARG  20          1HH1      ARG  20  -9.473   8.207   3.583
  144   2HH2  ARG  20          2HH1      ARG  20 -10.284   9.376   4.570
  145    H    LEU  21           H        LEU  21  -2.658   9.192   5.164
  146    HA   LEU  21           HA       LEU  21  -0.950  10.338   6.334
  147   1HB   LEU  21          2HB       LEU  21   0.079   7.645   5.502
  148   2HB   LEU  21          1HB       LEU  21   1.187   8.757   6.310
  149    HG   LEU  21           HG       LEU  21  -1.510   7.865   7.375
  150   1HD1  LEU  21          1HD1      LEU  21   0.238   6.116   7.455
  151   2HD1  LEU  21          2HD1      LEU  21  -0.167   6.694   9.072
  152   3HD1  LEU  21          3HD1      LEU  21   1.315   7.239   8.285
  153   1HD2  LEU  21          1HD2      LEU  21  -1.360   9.787   8.569
  154   2HD2  LEU  21          2HD2      LEU  21   0.300  10.071   8.046
  155   3HD2  LEU  21          3HD2      LEU  21  -0.024   9.017   9.423
  156    H    GLN  22           HN       GLN  22  -1.195  11.501   3.868
  157    HA   GLN  22           HA       GLN  22   0.003  12.765   2.263
  158   1HB   GLN  22          2HB       GLN  22   0.999  13.268   4.638
  159   2HB   GLN  22          1HB       GLN  22   2.386  12.349   4.058
  160   1HG   GLN  22          2HG       GLN  22   1.730  14.098   1.956
  161   2HG   GLN  22          1HG       GLN  22   1.606  15.067   3.425
  162   1HE2  GLN  22          1HE2      GLN  22   3.842  12.674   1.903
  163   2HE2  GLN  22          2HE2      GLN  22   5.256  13.411   2.484
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -5.432  -8.622  -5.368
    2   2H    GLY   1          2HT       GLY   1  -7.050  -8.838  -5.840
    3   3H    GLY   1          3HT       GLY   1  -6.368  -9.845  -4.656
    4   1HA   GLY   1          2HA       GLY   1  -7.255  -7.052  -4.442
    5   2HA   GLY   1          1HA       GLY   1  -7.556  -8.406  -3.351
    6    H    ARG   2           H        ARG   2  -4.582  -9.116  -3.698
    7    HA   ARG   2           HA       ARG   2  -3.651  -7.446  -1.442
    8   1HB   ARG   2          2HB       ARG   2  -2.349  -9.757  -2.922
    9   2HB   ARG   2          1HB       ARG   2  -1.891  -9.140  -1.335
   10   1HG   ARG   2          2HG       ARG   2  -4.726  -9.999  -1.748
   11   2HG   ARG   2          1HG       ARG   2  -3.492 -11.249  -1.569
   12   1HD   ARG   2          2HD       ARG   2  -2.994 -10.631   0.626
   13   2HD   ARG   2          1HD       ARG   2  -3.543  -8.959   0.385
   14    HE   ARG   2           HE       ARG   2  -5.885  -9.919   0.224
   15   1HH1  ARG   2          1HH1      ARG   2  -4.080 -10.419   2.853
   16   2HH1  ARG   2          2HH1      ARG   2  -4.785 -11.924   3.345
   17   1HH2  ARG   2          1HH2      ARG   2  -6.489 -12.405   0.364
   18   2HH2  ARG   2          2HH2      ARG   2  -6.149 -13.048   1.935
   19    H    ASN   3           H        ASN   3  -2.344  -5.676  -1.782
   20    HA   ASN   3           HA       ASN   3  -0.423  -5.675  -4.033
   21   1HB   ASN   3          2HB       ASN   3  -2.148  -3.256  -3.859
   22   2HB   ASN   3          1HB       ASN   3  -1.428  -4.019  -5.273
   23   1HD2  ASN   3          1HD2      ASN   3  -2.513  -6.072  -6.057
   24   2HD2  ASN   3          2HD2      ASN   3  -4.178  -6.267  -5.789
   25    H    ASP   4           H        ASP   4   0.813  -5.711  -1.825
   26    HA   ASP   4           HA       ASP   4   0.980  -2.930  -0.720
   27   1HB   ASP   4          2HB       ASP   4   1.568  -5.673   0.298
   28   2HB   ASP   4          1HB       ASP   4   2.340  -4.288   1.049
   29    HA   PRO   5           HA       PRO   5   4.765  -3.764  -3.354
   30   1HB   PRO   5          2HB       PRO   5   4.717  -1.331  -4.627
   31   2HB   PRO   5          1HB       PRO   5   3.862  -2.759  -5.223
   32   1HG   PRO   5          2HG       PRO   5   2.798  -0.487  -3.596
   33   2HG   PRO   5          1HG       PRO   5   2.103  -1.252  -5.038
   34   1HD   PRO   5          2HD       PRO   5   1.212  -1.878  -2.600
   35   2HD   PRO   5          1HD       PRO   5   1.381  -3.122  -3.858
   36    H    CYS   6           H        CYS   6   5.204  -0.402  -3.347
   37    HA   CYS   6           HA       CYS   6   6.896   0.792  -2.196
   38   1HB   CYS   6          2HB       CYS   6   5.841   1.518  -0.130
   39   2HB   CYS   6          1HB       CYS   6   4.585   1.151  -1.281
   40    HA   PRO   7           HA       PRO   7   9.420  -1.913   0.305
   41   1HB   PRO   7          2HB       PRO   7   9.891  -0.816   2.741
   42   2HB   PRO   7          1HB       PRO   7  10.482  -0.084   1.237
   43   1HG   PRO   7          2HG       PRO   7   8.408   0.824   3.028
   44   2HG   PRO   7          1HG       PRO   7   9.220   1.691   1.725
   45   1HD   PRO   7          2HD       PRO   7   6.617   0.390   1.726
   46   2HD   PRO   7          1HD       PRO   7   7.340   1.471   0.515
   47    H    CYS   8           H        CYS   8   6.389  -2.156   0.806
   48    HA   CYS   8           HA       CYS   8   6.452  -3.461   3.454
   49   1HB   CYS   8          2HB       CYS   8   4.225  -2.635   1.588
   50   2HB   CYS   8          1HB       CYS   8   3.947  -3.498   3.095
   51    H    GLY   9           H        GLY   9   5.495  -4.110   0.078
   52   1HA   GLY   9          2HA       GLY   9   5.189  -6.133  -1.071
   53   2HA   GLY   9          1HA       GLY   9   6.508  -6.732  -0.064
   54    H    SER  10           H        SER  10   2.998  -6.472  -0.306
   55    HA   SER  10           HA       SER  10   2.614  -8.935   1.108
   56   1HB   SER  10          2HB       SER  10   1.665  -7.927   3.141
   57   2HB   SER  10          1HB       SER  10   3.341  -7.457   2.915
   58    HG   SER  10           HG       SER  10   2.715  -5.479   2.777
   59    H    GLY  11           H        GLY  11   0.061  -7.130   2.168
   60   1HA   GLY  11          2HA       GLY  11  -1.447  -7.595  -0.375
   61   2HA   GLY  11          1HA       GLY  11  -2.130  -7.931   1.209
   62    H    LYS  12           H        LYS  12  -2.413  -5.939   2.662
   63    HA   LYS  12           HA       LYS  12  -3.286  -3.628   0.975
   64   1HB   LYS  12          2HB       LYS  12  -4.186  -4.679   3.660
   65   2HB   LYS  12          1HB       LYS  12  -4.878  -3.283   2.851
   66   1HG   LYS  12          2HG       LYS  12  -6.011  -4.558   1.325
   67   2HG   LYS  12          1HG       LYS  12  -4.721  -5.758   1.229
   68   1HD   LYS  12          2HD       LYS  12  -6.707  -5.467   3.504
   69   2HD   LYS  12          1HD       LYS  12  -6.713  -6.739   2.283
   70   1HE   LYS  12          2HE       LYS  12  -4.377  -7.371   3.066
   71   2HE   LYS  12          1HE       LYS  12  -4.617  -6.260   4.427
   72   1HZ   LYS  12          1HZ       LYS  12  -6.929  -7.562   4.449
   73   2HZ   LYS  12          2HZ       LYS  12  -5.580  -8.056   5.356
   74   3HZ   LYS  12          3HZ       LYS  12  -5.922  -8.796   3.865
   75    H    LYS  13           H        LYS  13  -1.189  -4.542   3.478
   76    HA   LYS  13           HA       LYS  13  -0.758  -2.615   5.268
   77   1HB   LYS  13          2HB       LYS  13   1.323  -3.623   3.327
   78   2HB   LYS  13          1HB       LYS  13   1.689  -2.879   4.883
   79   1HG   LYS  13          2HG       LYS  13  -0.196  -5.202   4.825
   80   2HG   LYS  13          1HG       LYS  13   1.527  -5.515   4.645
   81   1HD   LYS  13          2HD       LYS  13   1.484  -5.534   6.930
   82   2HD   LYS  13          1HD       LYS  13   1.590  -3.786   6.730
   83   1HE   LYS  13          2HE       LYS  13  -0.957  -3.735   6.720
   84   2HE   LYS  13          1HE       LYS  13  -0.907  -5.435   7.225
   85   1HZ   LYS  13          1HZ       LYS  13   0.395  -4.870   9.117
   86   2HZ   LYS  13          2HZ       LYS  13  -0.936  -3.815   9.104
   87   3HZ   LYS  13          3HZ       LYS  13   0.590  -3.268   8.596
   88    H    TYR  14           H        TYR  14   0.249  -2.184   1.954
   89    HA   TYR  14           HA       TYR  14   1.272   0.387   1.963
   90   1HB   TYR  14          2HB       TYR  14   0.934  -1.315   0.109
   91   2HB   TYR  14          1HB       TYR  14  -0.709  -0.694  -0.035
   92    HD1  TYR  14           HD1      TYR  14   2.504  -0.397  -1.320
   93    HD2  TYR  14           HD2      TYR  14  -0.775   2.035   0.009
   94    HE1  TYR  14           HE1      TYR  14   3.374   1.498  -2.652
   95    HE2  TYR  14           HE2      TYR  14   0.092   3.931  -1.322
   96    HH   TYR  14           HH       TYR  14   3.223   3.917  -2.725
   97    H    LYS  15           H        LYS  15  -2.189  -0.467   1.483
   98    HA   LYS  15           HA       LYS  15  -3.247   2.125   1.385
   99   1HB   LYS  15          2HB       LYS  15  -4.128  -0.583   2.191
  100   2HB   LYS  15          1HB       LYS  15  -5.096   0.726   2.868
  101   1HG   LYS  15          2HG       LYS  15  -4.391   0.795  -0.047
  102   2HG   LYS  15          1HG       LYS  15  -5.694  -0.263   0.495
  103   1HD   LYS  15          2HD       LYS  15  -6.820   1.654   1.559
  104   2HD   LYS  15          1HD       LYS  15  -5.513   2.717   1.037
  105   1HE   LYS  15          2HE       LYS  15  -6.047   2.316  -1.308
  106   2HE   LYS  15          1HE       LYS  15  -7.266   1.108  -0.857
  107   1HZ   LYS  15          1HZ       LYS  15  -7.294   3.929   0.073
  108   2HZ   LYS  15          2HZ       LYS  15  -8.502   2.761   0.320
  109   3HZ   LYS  15          3HZ       LYS  15  -8.203   3.362  -1.240
  110    H    GLN  16           H        GLN  16  -2.552   0.141   4.265
  111    HA   GLN  16           HA       GLN  16  -3.211   2.283   6.145
  112   1HB   GLN  16          2HB       GLN  16  -1.617  -0.245   6.634
  113   2HB   GLN  16          1HB       GLN  16  -2.640   0.624   7.776
  114   1HG   GLN  16          2HG       GLN  16  -4.071  -0.242   5.353
  115   2HG   GLN  16          1HG       GLN  16  -3.422  -1.575   6.303
  116   1HE2  GLN  16          1HE2      GLN  16  -5.757  -2.060   6.833
  117   2HE2  GLN  16          2HE2      GLN  16  -6.516  -1.178   8.068
  118    H    CYS  17           H        CYS  17  -0.438   1.391   4.299
  119    HA   CYS  17           HA       CYS  17   1.406   2.878   6.120
  120   1HB   CYS  17          2HB       CYS  17   2.140   0.670   5.546
  121   2HB   CYS  17          1HB       CYS  17   1.732   0.905   3.847
  122    H    HIS  18           H        HIS  18   1.216   2.479   2.569
  123    HA   HIS  18           HA       HIS  18   1.913   5.361   2.276
  124   1HB   HIS  18          2HB       HIS  18   2.047   2.906   0.520
  125   2HB   HIS  18          1HB       HIS  18   2.335   4.526  -0.118
  126    HD1  HIS  18           HD1      HIS  18   4.790   3.091  -0.412
  127    HD2  HIS  18           HD2      HIS  18   3.772   4.597   3.340
  128    HE1  HIS  18           HE1      HIS  18   6.940   3.219   0.916
  129    H    GLY  19           H        GLY  19  -0.884   3.744   2.591
  130   1HA   GLY  19          2HA       GLY  19  -2.314   4.574   0.196
  131   2HA   GLY  19          1HA       GLY  19  -3.045   3.956   1.677
  132    H    ARG  20           H        ARG  20  -2.360   5.699   3.600
  133    HA   ARG  20           HA       ARG  20  -4.074   7.910   3.310
  134   1HB   ARG  20          2HB       ARG  20  -2.906   8.731   5.319
  135   2HB   ARG  20          1HB       ARG  20  -3.139   6.985   5.419
  136   1HG   ARG  20          2HG       ARG  20  -0.788   6.822   4.334
  137   2HG   ARG  20          1HG       ARG  20  -0.611   8.510   4.812
  138   1HD   ARG  20          2HD       ARG  20  -1.329   6.249   6.715
  139   2HD   ARG  20          1HD       ARG  20   0.281   6.979   6.560
  140    HE   ARG  20           HE       ARG  20  -0.856   9.182   7.147
  141   1HH1  ARG  20          1HH1      ARG  20  -1.446   6.203   8.634
  142   2HH1  ARG  20          2HH1      ARG  20  -2.716   6.780   9.661
  143   1HH2  ARG  20          1HH2      ARG  20  -2.841   9.917   8.188
  144   2HH2  ARG  20          2HH2      ARG  20  -3.503   8.883   9.410
  145    H    LEU  21           H        LEU  21  -3.831   9.944   2.408
  146    HA   LEU  21           HA       LEU  21  -1.177  10.565   1.160
  147   1HB   LEU  21          2HB       LEU  21  -3.952  10.624   0.312
  148   2HB   LEU  21          1HB       LEU  21  -3.207  12.210   0.107
  149    HG   LEU  21           HG       LEU  21  -2.884  10.821  -1.907
  150   1HD1  LEU  21          1HD1      LEU  21  -0.131  10.715  -1.016
  151   2HD1  LEU  21          2HD1      LEU  21  -0.905  12.190  -0.439
  152   3HD1  LEU  21          3HD1      LEU  21  -0.882  11.823  -2.164
  153   1HD2  LEU  21          1HD2      LEU  21  -2.178   8.848   0.138
  154   2HD2  LEU  21          2HD2      LEU  21  -0.971   8.945  -1.146
  155   3HD2  LEU  21          3HD2      LEU  21  -2.655   8.596  -1.541
  156    H    GLN  22           HN       GLN  22  -0.568  11.442   3.379
  157    HA   GLN  22           HA       GLN  22  -1.775  13.470   4.825
  158   1HB   GLN  22          2HB       GLN  22   1.037  12.749   4.092
  159   2HB   GLN  22          1HB       GLN  22   0.775  14.264   4.956
  160   1HG   GLN  22          2HG       GLN  22  -0.040  13.203   6.856
  161   2HG   GLN  22          1HG       GLN  22  -0.570  11.780   5.958
  162   1HE2  GLN  22          1HE2      GLN  22   2.657  13.366   5.895
  163   2HE2  GLN  22          2HE2      GLN  22   3.506  12.003   6.442
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  -8.341  -3.194   0.211
    2   2H    GLY   1          2HT       GLY   1  -8.523  -1.647  -0.467
    3   3H    GLY   1          3HT       GLY   1  -7.062  -2.084   0.282
    4   1HA   GLY   1          2HA       GLY   1  -8.141  -3.434  -2.130
    5   2HA   GLY   1          1HA       GLY   1  -6.977  -2.110  -2.189
    6    H    ARG   2           H        ARG   2  -5.428  -3.611  -3.153
    7    HA   ARG   2           HA       ARG   2  -4.088  -5.295  -1.075
    8   1HB   ARG   2          2HB       ARG   2  -4.826  -6.019  -3.929
    9   2HB   ARG   2          1HB       ARG   2  -3.762  -6.995  -2.914
   10   1HG   ARG   2          2HG       ARG   2  -5.735  -8.027  -2.365
   11   2HG   ARG   2          1HG       ARG   2  -5.834  -6.697  -1.211
   12   1HD   ARG   2          2HD       ARG   2  -7.950  -6.783  -2.389
   13   2HD   ARG   2          1HD       ARG   2  -7.066  -5.379  -3.019
   14    HE   ARG   2           HE       ARG   2  -6.398  -7.759  -4.512
   15   1HH1  ARG   2          1HH1      ARG   2  -9.469  -7.606  -4.325
   16   2HH1  ARG   2          2HH1      ARG   2  -9.832  -6.742  -5.782
   17   1HH2  ARG   2          1HH2      ARG   2  -6.573  -5.667  -6.273
   18   2HH2  ARG   2          2HH2      ARG   2  -8.193  -5.647  -6.885
   19    H    ASN   3           H        ASN   3  -2.520  -5.976  -3.835
   20    HA   ASN   3           HA       ASN   3  -0.301  -5.363  -4.455
   21   1HB   ASN   3          2HB       ASN   3  -1.787  -2.778  -4.879
   22   2HB   ASN   3          1HB       ASN   3  -0.470  -3.421  -5.849
   23   1HD2  ASN   3          1HD2      ASN   3  -1.793  -3.421  -7.808
   24   2HD2  ASN   3          2HD2      ASN   3  -3.036  -4.555  -8.033
   25    H    ASP   4           H        ASP   4   0.774  -5.285  -2.319
   26    HA   ASP   4           HA       ASP   4   1.005  -2.492  -1.254
   27   1HB   ASP   4          2HB       ASP   4   1.416  -5.206   0.024
   28   2HB   ASP   4          1HB       ASP   4   1.704  -3.674   0.845
   29    HA   PRO   5           HA       PRO   5   4.958  -3.802  -3.406
   30   1HB   PRO   5          2HB       PRO   5   5.266  -1.387  -4.685
   31   2HB   PRO   5          1HB       PRO   5   4.326  -2.728  -5.354
   32   1HG   PRO   5          2HG       PRO   5   3.343  -0.384  -3.764
   33   2HG   PRO   5          1HG       PRO   5   2.734  -1.005  -5.304
   34   1HD   PRO   5          2HD       PRO   5   1.485  -1.656  -3.084
   35   2HD   PRO   5          1HD       PRO   5   1.797  -2.905  -4.309
   36    H    CYS   6           H        CYS   6   5.656  -0.479  -3.366
   37    HA   CYS   6           HA       CYS   6   7.352   0.595  -2.128
   38   1HB   CYS   6          2HB       CYS   6   6.245   1.398  -0.125
   39   2HB   CYS   6          1HB       CYS   6   5.031   1.119  -1.343
   40    HA   PRO   7           HA       PRO   7   9.570  -2.244   0.492
   41   1HB   PRO   7          2HB       PRO   7   9.982  -1.182   2.954
   42   2HB   PRO   7          1HB       PRO   7  10.693  -0.486   1.484
   43   1HG   PRO   7          2HG       PRO   7   8.584   0.542   3.171
   44   2HG   PRO   7          1HG       PRO   7   9.523   1.363   1.924
   45   1HD   PRO   7          2HD       PRO   7   6.846   0.241   1.766
   46   2HD   PRO   7          1HD       PRO   7   7.711   1.268   0.601
   47    H    CYS   8           H        CYS   8   6.513  -2.297   0.829
   48    HA   CYS   8           HA       CYS   8   6.320  -3.588   3.471
   49   1HB   CYS   8          2HB       CYS   8   4.314  -2.663   1.415
   50   2HB   CYS   8          1HB       CYS   8   3.844  -3.546   2.860
   51    H    GLY   9           H        GLY   9   5.508  -4.253   0.050
   52   1HA   GLY   9          2HA       GLY   9   5.283  -6.287  -1.102
   53   2HA   GLY   9          1HA       GLY   9   6.489  -6.908   0.023
   54    H    SER  10           H        SER  10   2.977  -6.143  -0.068
   55    HA   SER  10           HA       SER  10   2.340  -8.761   1.021
   56   1HB   SER  10          2HB       SER  10   1.650  -7.946   3.171
   57   2HB   SER  10          1HB       SER  10   3.286  -7.367   2.906
   58    HG   SER  10           HG       SER  10   2.316  -5.536   3.414
   59    H    GLY  11           H        GLY  11   0.004  -7.218   2.373
   60   1HA   GLY  11          2HA       GLY  11  -1.520  -6.328  -0.005
   61   2HA   GLY  11          1HA       GLY  11  -2.177  -7.664   0.943
   62    H    LYS  12           H        LYS  12  -3.223  -4.879   0.554
   63    HA   LYS  12           HA       LYS  12  -4.344  -3.288   1.878
   64   1HB   LYS  12          2HB       LYS  12  -3.704  -5.429   3.908
   65   2HB   LYS  12          1HB       LYS  12  -4.668  -4.009   4.298
   66   1HG   LYS  12          2HG       LYS  12  -6.001  -4.717   2.121
   67   2HG   LYS  12          1HG       LYS  12  -5.326  -6.304   2.494
   68   1HD   LYS  12          2HD       LYS  12  -6.799  -4.607   4.523
   69   2HD   LYS  12          1HD       LYS  12  -7.580  -5.853   3.548
   70   1HE   LYS  12          2HE       LYS  12  -5.851  -7.494   4.439
   71   2HE   LYS  12          1HE       LYS  12  -5.363  -6.229   5.586
   72   1HZ   LYS  12          1HZ       LYS  12  -7.046  -7.036   6.815
   73   2HZ   LYS  12          2HZ       LYS  12  -7.800  -7.794   5.495
   74   3HZ   LYS  12          3HZ       LYS  12  -8.033  -6.134   5.773
   75    H    LYS  13           H        LYS  13  -1.677  -4.494   3.838
   76    HA   LYS  13           HA       LYS  13  -0.781  -2.579   5.402
   77   1HB   LYS  13          2HB       LYS  13   0.595  -4.460   4.970
   78   2HB   LYS  13          1HB       LYS  13   0.742  -4.036   3.265
   79   1HG   LYS  13          2HG       LYS  13   2.805  -3.439   4.415
   80   2HG   LYS  13          1HG       LYS  13   1.966  -1.968   3.924
   81   1HD   LYS  13          2HD       LYS  13   2.567  -1.525   6.159
   82   2HD   LYS  13          1HD       LYS  13   0.889  -2.051   6.286
   83   1HE   LYS  13          2HE       LYS  13   1.826  -4.423   6.654
   84   2HE   LYS  13          1HE       LYS  13   3.390  -3.630   6.922
   85   1HZ   LYS  13          1HZ       LYS  13   2.581  -2.437   8.715
   86   2HZ   LYS  13          2HZ       LYS  13   1.811  -3.937   8.920
   87   3HZ   LYS  13          3HZ       LYS  13   0.960  -2.626   8.257
   88    H    TYR  14           H        TYR  14   0.525  -2.328   2.172
   89    HA   TYR  14           HA       TYR  14   1.499   0.204   2.060
   90   1HB   TYR  14          2HB       TYR  14   1.233  -1.552   0.271
   91   2HB   TYR  14          1HB       TYR  14  -0.397  -0.941   0.012
   92    HD1  TYR  14           HD1      TYR  14   2.830  -0.749  -1.244
   93    HD2  TYR  14           HD2      TYR  14  -0.398   1.833  -0.064
   94    HE1  TYR  14           HE1      TYR  14   3.748   1.063  -2.662
   95    HE2  TYR  14           HE2      TYR  14   0.528   3.639  -1.474
   96    HH   TYR  14           HH       TYR  14   2.353   4.308  -2.642
   97    H    LYS  15           H        LYS  15  -1.980  -0.492   1.424
   98    HA   LYS  15           HA       LYS  15  -2.933   2.108   1.139
   99   1HB   LYS  15          2HB       LYS  15  -4.073  -0.281   2.617
  100   2HB   LYS  15          1HB       LYS  15  -5.020   1.158   2.244
  101   1HG   LYS  15          2HG       LYS  15  -3.780  -0.812   0.318
  102   2HG   LYS  15          1HG       LYS  15  -5.472  -0.340   0.458
  103   1HD   LYS  15          2HD       LYS  15  -4.648   2.043  -0.140
  104   2HD   LYS  15          1HD       LYS  15  -3.171   1.243  -0.680
  105   1HE   LYS  15          2HE       LYS  15  -4.645  -0.269  -2.111
  106   2HE   LYS  15          1HE       LYS  15  -5.984   0.833  -1.735
  107   1HZ   LYS  15          1HZ       LYS  15  -3.363   1.796  -2.730
  108   2HZ   LYS  15          2HZ       LYS  15  -4.830   2.650  -2.649
  109   3HZ   LYS  15          3HZ       LYS  15  -4.633   1.398  -3.781
  110    H    GLN  16           H        GLN  16  -2.381   0.346   4.187
  111    HA   GLN  16           HA       GLN  16  -2.982   2.679   5.848
  112   1HB   GLN  16          2HB       GLN  16  -1.617   0.055   6.532
  113   2HB   GLN  16          1HB       GLN  16  -2.464   1.128   7.645
  114   1HG   GLN  16          2HG       GLN  16  -3.998   0.131   5.287
  115   2HG   GLN  16          1HG       GLN  16  -3.652  -1.025   6.574
  116   1HE2  GLN  16          1HE2      GLN  16  -3.989   0.211   8.911
  117   2HE2  GLN  16          2HE2      GLN  16  -5.490   0.996   9.035
  118    H    CYS  17           H        CYS  17  -0.223   1.487   4.163
  119    HA   CYS  17           HA       CYS  17   1.673   2.969   5.928
  120   1HB   CYS  17          2HB       CYS  17   2.295   0.705   5.456
  121   2HB   CYS  17          1HB       CYS  17   1.926   0.892   3.742
  122    H    HIS  18           H        HIS  18   1.422   2.451   2.390
  123    HA   HIS  18           HA       HIS  18   2.305   5.278   2.005
  124   1HB   HIS  18          2HB       HIS  18   2.449   2.726   0.407
  125   2HB   HIS  18          1HB       HIS  18   2.770   4.292  -0.341
  126    HD1  HIS  18           HD1      HIS  18   5.239   2.940  -0.507
  127    HD2  HIS  18           HD2      HIS  18   4.088   4.482   3.192
  128    HE1  HIS  18           HE1      HIS  18   7.342   3.082   0.897
  129    H    GLY  19           H        GLY  19  -0.584   3.796   2.242
  130   1HA   GLY  19          2HA       GLY  19  -1.725   5.030  -0.218
  131   2HA   GLY  19          1HA       GLY  19  -2.545   3.839   0.786
  132    H    ARG  20           H        ARG  20  -1.331   5.656   3.109
  133    HA   ARG  20           HA       ARG  20  -2.331   7.247   4.556
  134   1HB   ARG  20          2HB       ARG  20  -1.352   8.575   2.652
  135   2HB   ARG  20          1HB       ARG  20  -2.935   8.538   1.876
  136   1HG   ARG  20          2HG       ARG  20  -3.827   9.513   4.105
  137   2HG   ARG  20          1HG       ARG  20  -2.139   9.892   4.451
  138   1HD   ARG  20          2HD       ARG  20  -2.731  11.850   3.353
  139   2HD   ARG  20          1HD       ARG  20  -2.285  10.875   1.938
  140    HE   ARG  20           HE       ARG  20  -4.927  10.188   2.382
  141   1HH1  ARG  20          1HH2      ARG  20  -5.231  12.941   3.551
  142   2HH1  ARG  20          2HH2      ARG  20  -5.654  13.878   2.158
  143   1HH2  ARG  20          1HH1      ARG  20  -4.601  11.472  -0.108
  144   2HH2  ARG  20          2HH1      ARG  20  -5.297  13.046   0.085
  145    H    LEU  21           H        LEU  21  -4.050   5.063   3.954
  146    HA   LEU  21           HA       LEU  21  -6.714   6.362   3.526
  147   1HB   LEU  21          2HB       LEU  21  -5.863   4.460   2.060
  148   2HB   LEU  21          1HB       LEU  21  -5.976   3.424   3.483
  149    HG   LEU  21           HG       LEU  21  -8.430   4.622   3.516
  150   1HD1  LEU  21          1HD1      LEU  21  -9.281   4.945   1.361
  151   2HD1  LEU  21          2HD1      LEU  21  -8.020   3.967   0.610
  152   3HD1  LEU  21          3HD1      LEU  21  -7.647   5.587   1.199
  153   1HD2  LEU  21          1HD2      LEU  21  -8.890   2.416   3.571
  154   2HD2  LEU  21          2HD2      LEU  21  -7.294   2.053   2.916
  155   3HD2  LEU  21          3HD2      LEU  21  -8.650   2.340   1.826
  156    H    GLN  22           HN       GLN  22  -5.865   6.934   6.011
  157    HA   GLN  22           HA       GLN  22  -6.428   4.837   7.963
  158   1HB   GLN  22          2HB       GLN  22  -5.142   7.315   7.855
  159   2HB   GLN  22          1HB       GLN  22  -6.538   7.604   8.893
  160   1HG   GLN  22          2HG       GLN  22  -5.883   5.956  10.443
  161   2HG   GLN  22          1HG       GLN  22  -4.796   5.178   9.293
  162   1HE2  GLN  22          1HE2      GLN  22  -5.107   7.856  11.567
  163   2HE2  GLN  22          2HE2      GLN  22  -3.486   8.353  11.488
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  -7.008  -5.567  -6.245
    2   2H    GLY   1          2HT       GLY   1  -7.979  -5.607  -4.853
    3   3H    GLY   1          3HT       GLY   1  -6.826  -6.824  -5.122
    4   1HA   GLY   1          2HA       GLY   1  -5.682  -4.196  -5.129
    5   2HA   GLY   1          1HA       GLY   1  -6.455  -4.610  -3.600
    6    H    ARG   2           H        ARG   2  -5.078  -5.559  -2.195
    7    HA   ARG   2           HA       ARG   2  -3.316  -6.901  -1.369
    8   1HB   ARG   2          2HB       ARG   2  -3.658  -8.283  -4.049
    9   2HB   ARG   2          1HB       ARG   2  -3.016  -8.991  -2.566
   10   1HG   ARG   2          2HG       ARG   2  -5.692  -7.790  -2.267
   11   2HG   ARG   2          1HG       ARG   2  -5.636  -9.171  -3.361
   12   1HD   ARG   2          2HD       ARG   2  -4.721 -10.601  -1.657
   13   2HD   ARG   2          1HD       ARG   2  -4.420  -9.221  -0.581
   14    HE   ARG   2           HE       ARG   2  -7.028  -8.902  -0.826
   15   1HH1  ARG   2          1HH1      ARG   2  -6.179 -11.910  -1.920
   16   2HH1  ARG   2          2HH1      ARG   2  -7.085 -12.810  -0.748
   17   1HH2  ARG   2          1HH2      ARG   2  -7.832 -10.039   1.196
   18   2HH2  ARG   2          2HH2      ARG   2  -8.019 -11.751   1.013
   19    H    ASN   3           H        ASN   3  -2.886  -4.596  -3.475
   20    HA   ASN   3           HA       ASN   3  -0.214  -5.397  -4.521
   21   1HB   ASN   3          2HB       ASN   3  -1.551  -2.736  -4.928
   22   2HB   ASN   3          1HB       ASN   3  -0.498  -3.622  -6.028
   23   1HD2  ASN   3          1HD2      ASN   3  -1.454  -5.267  -7.382
   24   2HD2  ASN   3          2HD2      ASN   3  -3.133  -5.499  -7.480
   25    H    ASP   4           H        ASP   4   0.841  -5.373  -2.379
   26    HA   ASP   4           HA       ASP   4   1.139  -2.624  -1.224
   27   1HB   ASP   4          2HB       ASP   4   1.317  -5.431  -0.250
   28   2HB   ASP   4          1HB       ASP   4   2.172  -4.176   0.634
   29    HA   PRO   5           HA       PRO   5   5.095  -3.759  -3.490
   30   1HB   PRO   5          2HB       PRO   5   5.384  -1.276  -4.636
   31   2HB   PRO   5          1HB       PRO   5   4.474  -2.596  -5.389
   32   1HG   PRO   5          2HG       PRO   5   3.439  -0.334  -3.717
   33   2HG   PRO   5          1HG       PRO   5   2.845  -0.920  -5.279
   34   1HD   PRO   5          2HD       PRO   5   1.614  -1.652  -3.056
   35   2HD   PRO   5          1HD       PRO   5   1.899  -2.843  -4.344
   36    H    CYS   6           H        CYS   6   5.654  -0.400  -3.232
   37    HA   CYS   6           HA       CYS   6   7.308   0.672  -1.915
   38   1HB   CYS   6          2HB       CYS   6   6.141   1.280   0.118
   39   2HB   CYS   6          1HB       CYS   6   4.939   0.975  -1.100
   40    HA   PRO   7           HA       PRO   7   9.645  -2.248   0.518
   41   1HB   PRO   7          2HB       PRO   7  10.055  -1.244   3.007
   42   2HB   PRO   7          1HB       PRO   7  10.721  -0.480   1.551
   43   1HG   PRO   7          2HG       PRO   7   8.615   0.434   3.297
   44   2HG   PRO   7          1HG       PRO   7   9.482   1.312   2.037
   45   1HD   PRO   7          2HD       PRO   7   6.855   0.049   1.932
   46   2HD   PRO   7          1HD       PRO   7   7.618   1.175   0.787
   47    H    CYS   8           H        CYS   8   6.622  -2.505   0.837
   48    HA   CYS   8           HA       CYS   8   6.559  -3.889   3.452
   49   1HB   CYS   8          2HB       CYS   8   4.392  -2.881   1.607
   50   2HB   CYS   8          1HB       CYS   8   4.070  -3.776   3.086
   51    H    GLY   9           H        GLY   9   5.402  -4.352   0.080
   52   1HA   GLY   9          2HA       GLY   9   5.114  -6.334  -1.156
   53   2HA   GLY   9          1HA       GLY   9   6.359  -7.038  -0.122
   54    H    SER  10           H        SER  10   2.874  -6.207  -0.073
   55    HA   SER  10           HA       SER  10   2.205  -8.815   1.017
   56   1HB   SER  10          2HB       SER  10   1.522  -7.926   3.185
   57   2HB   SER  10          1HB       SER  10   3.225  -7.588   2.913
   58    HG   SER  10           HG       SER  10   2.785  -5.521   2.814
   59    H    GLY  11           H        GLY  11  -0.039  -7.116   2.469
   60   1HA   GLY  11          2HA       GLY  11  -1.583  -6.132   0.164
   61   2HA   GLY  11          1HA       GLY  11  -2.248  -7.544   0.985
   62    H    LYS  12           H        LYS  12  -2.993  -4.538   0.773
   63    HA   LYS  12           HA       LYS  12  -4.214  -3.054   2.120
   64   1HB   LYS  12          2HB       LYS  12  -3.997  -5.508   3.829
   65   2HB   LYS  12          1HB       LYS  12  -4.696  -4.041   4.498
   66   1HG   LYS  12          2HG       LYS  12  -6.573  -4.205   3.220
   67   2HG   LYS  12          1HG       LYS  12  -5.676  -4.769   1.809
   68   1HD   LYS  12          2HD       LYS  12  -5.977  -6.569   4.198
   69   2HD   LYS  12          1HD       LYS  12  -7.299  -6.425   3.038
   70   1HE   LYS  12          2HE       LYS  12  -4.547  -6.878   1.946
   71   2HE   LYS  12          1HE       LYS  12  -5.388  -8.252   2.689
   72   1HZ   LYS  12          1HZ       LYS  12  -6.672  -6.444   0.722
   73   2HZ   LYS  12          2HZ       LYS  12  -7.249  -7.937   1.291
   74   3HZ   LYS  12          3HZ       LYS  12  -5.892  -7.880   0.270
   75    H    LYS  13           H        LYS  13  -1.101  -4.102   3.051
   76    HA   LYS  13           HA       LYS  13  -0.727  -2.353   5.310
   77   1HB   LYS  13          2HB       LYS  13   0.577  -4.335   5.176
   78   2HB   LYS  13          1HB       LYS  13   1.026  -3.998   3.506
   79   1HG   LYS  13          2HG       LYS  13   2.949  -3.260   4.490
   80   2HG   LYS  13          1HG       LYS  13   2.025  -1.780   4.688
   81   1HD   LYS  13          2HD       LYS  13   1.277  -2.624   6.935
   82   2HD   LYS  13          1HD       LYS  13   2.387  -3.980   6.736
   83   1HE   LYS  13          2HE       LYS  13   4.104  -2.693   7.455
   84   2HE   LYS  13          1HE       LYS  13   3.789  -1.529   6.153
   85   1HZ   LYS  13          1HZ       LYS  13   2.345  -1.679   8.746
   86   2HZ   LYS  13          2HZ       LYS  13   1.979  -0.605   7.483
   87   3HZ   LYS  13          3HZ       LYS  13   3.462  -0.484   8.303
   88    H    TYR  14           H        TYR  14  -0.311  -2.094   1.902
   89    HA   TYR  14           HA       TYR  14   1.323   0.295   1.938
   90   1HB   TYR  14          2HB       TYR  14   1.134  -1.421   0.133
   91   2HB   TYR  14          1HB       TYR  14  -0.494  -0.827  -0.191
   92    HD1  TYR  14           HD1      TYR  14  -0.618   1.868  -0.388
   93    HD2  TYR  14           HD2      TYR  14   2.877  -0.517  -1.140
   94    HE1  TYR  14           HE1      TYR  14   0.358   3.711  -1.716
   95    HE2  TYR  14           HE2      TYR  14   3.844   1.329  -2.478
   96    HH   TYR  14           HH       TYR  14   3.567   3.869  -2.580
   97    H    LYS  15           H        LYS  15  -2.134  -0.268   1.122
   98    HA   LYS  15           HA       LYS  15  -2.910   2.391   0.810
   99   1HB   LYS  15          2HB       LYS  15  -5.088   1.559   1.069
  100   2HB   LYS  15          1HB       LYS  15  -4.191   0.095   0.682
  101   1HG   LYS  15          2HG       LYS  15  -4.030  -0.470   3.054
  102   2HG   LYS  15          1HG       LYS  15  -4.840   1.036   3.486
  103   1HD   LYS  15          2HD       LYS  15  -6.121  -0.991   1.649
  104   2HD   LYS  15          1HD       LYS  15  -6.306  -1.074   3.401
  105   1HE   LYS  15          2HE       LYS  15  -7.791   0.653   3.421
  106   2HE   LYS  15          1HE       LYS  15  -6.797   1.618   2.310
  107   1HZ   LYS  15          1HZ       LYS  15  -7.587   0.412   0.464
  108   2HZ   LYS  15          2HZ       LYS  15  -8.972   0.780   1.378
  109   3HZ   LYS  15          3HZ       LYS  15  -8.303  -0.781   1.434
  110    H    GLN  16           H        GLN  16  -2.443   0.535   3.811
  111    HA   GLN  16           HA       GLN  16  -3.138   2.812   5.537
  112   1HB   GLN  16          2HB       GLN  16  -1.637   0.303   6.311
  113   2HB   GLN  16          1HB       GLN  16  -2.726   1.268   7.301
  114   1HG   GLN  16          2HG       GLN  16  -3.944   0.130   4.859
  115   2HG   GLN  16          1HG       GLN  16  -3.447  -1.051   6.063
  116   1HE2  GLN  16          1HE2      GLN  16  -4.474   2.246   6.915
  117   2HE2  GLN  16          2HE2      GLN  16  -5.907   1.780   7.695
  118    H    CYS  17           H        CYS  17  -0.283   1.493   4.014
  119    HA   CYS  17           HA       CYS  17   1.547   3.036   5.775
  120   1HB   CYS  17          2HB       CYS  17   2.167   0.773   5.237
  121   2HB   CYS  17          1HB       CYS  17   1.871   1.039   3.524
  122    H    HIS  18           H        HIS  18   1.313   2.604   2.230
  123    HA   HIS  18           HA       HIS  18   2.251   5.417   1.903
  124   1HB   HIS  18          2HB       HIS  18   2.291   2.913   0.223
  125   2HB   HIS  18          1HB       HIS  18   2.715   4.489  -0.447
  126    HD1  HIS  18           HD1      HIS  18   4.098   1.680   1.401
  127    HD2  HIS  18           HD2      HIS  18   4.967   5.744   1.080
  128    HE1  HIS  18           HE1      HIS  18   6.447   1.981   2.289
  129    H    GLY  19           H        GLY  19  -0.681   4.007   2.115
  130   1HA   GLY  19          2HA       GLY  19  -1.794   5.283  -0.331
  131   2HA   GLY  19          1HA       GLY  19  -2.662   4.165   0.722
  132    H    ARG  20           H        ARG  20  -3.064   4.988   2.996
  133    HA   ARG  20           HA       ARG  20  -2.937   7.784   3.636
  134   1HB   ARG  20          2HB       ARG  20  -5.345   8.306   3.187
  135   2HB   ARG  20          1HB       ARG  20  -4.441   7.961   1.713
  136   1HG   ARG  20          2HG       ARG  20  -5.613   6.058   1.295
  137   2HG   ARG  20          1HG       ARG  20  -5.620   5.581   2.994
  138   1HD   ARG  20          2HD       ARG  20  -7.868   6.083   2.767
  139   2HD   ARG  20          1HD       ARG  20  -7.280   7.718   3.129
  140    HE   ARG  20           HE       ARG  20  -7.729   6.680   0.357
  141   1HH1  ARG  20          1HH1      ARG  20  -8.627   8.985   2.602
  142   2HH1  ARG  20          2HH1      ARG  20  -8.469  10.345   1.543
  143   1HH2  ARG  20          1HH2      ARG  20  -6.972   8.526  -0.999
  144   2HH2  ARG  20          2HH2      ARG  20  -7.533  10.085  -0.497
  145    H    LEU  21           H        LEU  21  -3.974   8.214   5.699
  146    HA   LEU  21           HA       LEU  21  -4.324   5.827   7.358
  147   1HB   LEU  21          2HB       LEU  21  -3.558   8.519   7.643
  148   2HB   LEU  21          1HB       LEU  21  -5.055   8.364   8.566
  149    HG   LEU  21           HG       LEU  21  -3.730   6.064   9.267
  150   1HD1  LEU  21          1HD1      LEU  21  -1.777   7.558   8.006
  151   2HD1  LEU  21          2HD1      LEU  21  -1.475   6.297   9.201
  152   3HD1  LEU  21          3HD1      LEU  21  -1.551   7.987   9.701
  153   1HD2  LEU  21          1HD2      LEU  21  -4.653   7.208  11.041
  154   2HD2  LEU  21          2HD2      LEU  21  -4.106   8.776  10.450
  155   3HD2  LEU  21          3HD2      LEU  21  -2.975   7.698  11.268
  156    H    GLN  22           HN       GLN  22  -6.298   5.050   6.126
  157    HA   GLN  22           HA       GLN  22  -8.751   6.354   5.855
  158   1HB   GLN  22          2HB       GLN  22  -8.063   4.024   5.148
  159   2HB   GLN  22          1HB       GLN  22  -8.329   3.507   6.814
  160   1HG   GLN  22          2HG       GLN  22 -10.654   4.879   6.240
  161   2HG   GLN  22          1HG       GLN  22 -10.286   4.092   4.704
  162   1HE2  GLN  22          1HE2      GLN  22 -12.189   3.537   7.229
  163   2HE2  GLN  22          2HE2      GLN  22 -12.025   1.859   7.417
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1   1.447  -9.981  -6.068
    2   2H    GLY   1          2HT       GLY   1   0.692 -11.001  -7.197
    3   3H    GLY   1          3HT       GLY   1   1.840 -11.630  -6.112
    4   1HA   GLY   1          2HA       GLY   1  -0.907 -11.517  -5.777
    5   2HA   GLY   1          1HA       GLY   1   0.299 -12.020  -4.590
    6    H    ARG   2           H        ARG   2  -2.257 -10.118  -4.707
    7    HA   ARG   2           HA       ARG   2  -2.939  -8.221  -3.462
    8   1HB   ARG   2          2HB       ARG   2  -0.266  -8.671  -2.098
    9   2HB   ARG   2          1HB       ARG   2  -1.700  -7.917  -1.401
   10   1HG   ARG   2          2HG       ARG   2  -2.197 -10.608  -2.477
   11   2HG   ARG   2          1HG       ARG   2  -1.039 -10.584  -1.148
   12   1HD   ARG   2          2HD       ARG   2  -2.923  -8.900  -0.149
   13   2HD   ARG   2          1HD       ARG   2  -3.943  -9.974  -1.126
   14    HE   ARG   2           HE       ARG   2  -2.295 -10.797   1.184
   15   1HH1  ARG   2          1HH1      ARG   2  -3.748 -11.759  -1.776
   16   2HH1  ARG   2          2HH1      ARG   2  -4.206 -13.329  -1.202
   17   1HH2  ARG   2          1HH2      ARG   2  -3.056 -12.776   2.023
   18   2HH2  ARG   2          2HH2      ARG   2  -3.818 -13.903   0.950
   19    H    ASN   3           H        ASN   3  -2.093  -5.879  -2.883
   20    HA   ASN   3           HA       ASN   3  -0.026  -5.087  -4.915
   21   1HB   ASN   3          2HB       ASN   3  -2.062  -3.085  -4.212
   22   2HB   ASN   3          1HB       ASN   3  -1.434  -3.539  -5.794
   23   1HD2  ASN   3          1HD2      ASN   3  -2.332  -5.613  -6.757
   24   2HD2  ASN   3          2HD2      ASN   3  -3.921  -6.066  -6.368
   25    H    ASP   4           H        ASP   4   0.908  -5.505  -2.368
   26    HA   ASP   4           HA       ASP   4   0.982  -2.765  -1.141
   27   1HB   ASP   4          2HB       ASP   4   1.412  -5.557  -0.130
   28   2HB   ASP   4          1HB       ASP   4   1.894  -4.152   0.811
   29    HA   PRO   5           HA       PRO   5   4.960  -3.769  -3.419
   30   1HB   PRO   5          2HB       PRO   5   5.130  -1.317  -4.649
   31   2HB   PRO   5          1HB       PRO   5   4.250  -2.691  -5.331
   32   1HG   PRO   5          2HG       PRO   5   3.177  -0.413  -3.711
   33   2HG   PRO   5          1HG       PRO   5   2.572  -1.072  -5.240
   34   1HD   PRO   5          2HD       PRO   5   1.417  -1.763  -2.961
   35   2HD   PRO   5          1HD       PRO   5   1.707  -2.983  -4.223
   36    H    CYS   6           H        CYS   6   5.507  -0.424  -3.315
   37    HA   CYS   6           HA       CYS   6   7.177   0.691  -2.070
   38   1HB   CYS   6          2HB       CYS   6   6.049   1.407  -0.034
   39   2HB   CYS   6          1HB       CYS   6   4.838   1.110  -1.251
   40    HA   PRO   7           HA       PRO   7   9.496  -2.159   0.469
   41   1HB   PRO   7          2HB       PRO   7   9.900  -1.131   2.945
   42   2HB   PRO   7          1HB       PRO   7  10.576  -0.386   1.484
   43   1HG   PRO   7          2HG       PRO   7   8.454   0.546   3.206
   44   2HG   PRO   7          1HG       PRO   7   9.355   1.419   1.967
   45   1HD   PRO   7          2HD       PRO   7   6.713   0.213   1.810
   46   2HD   PRO   7          1HD       PRO   7   7.532   1.294   0.660
   47    H    CYS   8           H        CYS   8   6.445  -2.321   0.821
   48    HA   CYS   8           HA       CYS   8   6.311  -3.654   3.448
   49   1HB   CYS   8          2HB       CYS   8   4.255  -2.737   1.439
   50   2HB   CYS   8          1HB       CYS   8   3.826  -3.661   2.871
   51    H    GLY   9           H        GLY   9   5.413  -4.303   0.031
   52   1HA   GLY   9          2HA       GLY   9   5.206  -6.339  -1.128
   53   2HA   GLY   9          1HA       GLY   9   6.474  -6.931  -0.056
   54    H    SER  10           H        SER  10   2.943  -6.447  -0.233
   55    HA   SER  10           HA       SER  10   2.362  -9.010   0.893
   56   1HB   SER  10          2HB       SER  10   1.939  -8.392   3.107
   57   2HB   SER  10          1HB       SER  10   3.413  -7.515   2.745
   58    HG   SER  10           HG       SER  10   2.101  -5.702   2.277
   59    H    GLY  11           H        GLY  11   0.114  -7.429   2.428
   60   1HA   GLY  11          2HA       GLY  11  -1.501  -6.514   0.118
   61   2HA   GLY  11          1HA       GLY  11  -2.145  -7.808   1.124
   62    H    LYS  12           H        LYS  12  -3.111  -4.992   0.700
   63    HA   LYS  12           HA       LYS  12  -4.261  -3.446   2.072
   64   1HB   LYS  12          2HB       LYS  12  -3.165  -4.990   4.418
   65   2HB   LYS  12          1HB       LYS  12  -4.656  -4.060   4.337
   66   1HG   LYS  12          2HG       LYS  12  -5.818  -5.782   3.440
   67   2HG   LYS  12          1HG       LYS  12  -4.519  -6.197   2.322
   68   1HD   LYS  12          2HD       LYS  12  -4.976  -7.987   4.019
   69   2HD   LYS  12          1HD       LYS  12  -3.320  -7.380   4.074
   70   1HE   LYS  12          2HE       LYS  12  -3.586  -6.596   6.189
   71   2HE   LYS  12          1HE       LYS  12  -5.137  -5.834   5.783
   72   1HZ   LYS  12          1HZ       LYS  12  -5.267  -7.775   7.361
   73   2HZ   LYS  12          2HZ       LYS  12  -4.813  -8.768   6.059
   74   3HZ   LYS  12          3HZ       LYS  12  -6.260  -7.879   5.990
   75    H    LYS  13           H        LYS  13  -1.443  -4.341   3.943
   76    HA   LYS  13           HA       LYS  13  -0.453  -2.355   5.260
   77   1HB   LYS  13          2HB       LYS  13   1.137  -3.401   2.922
   78   2HB   LYS  13          1HB       LYS  13   1.792  -2.773   4.430
   79   1HG   LYS  13          2HG       LYS  13   0.096  -5.262   4.107
   80   2HG   LYS  13          1HG       LYS  13   1.815  -5.196   4.473
   81   1HD   LYS  13          2HD       LYS  13   1.074  -3.715   6.498
   82   2HD   LYS  13          1HD       LYS  13  -0.510  -4.440   6.222
   83   1HE   LYS  13          2HE       LYS  13   0.304  -6.642   6.642
   84   2HE   LYS  13          1HE       LYS  13   1.997  -6.120   6.512
   85   1HZ   LYS  13          1HZ       LYS  13   0.936  -6.321   8.848
   86   2HZ   LYS  13          2HZ       LYS  13   0.195  -4.841   8.464
   87   3HZ   LYS  13          3HZ       LYS  13   1.890  -4.964   8.492
   88    H    TYR  14           H        TYR  14   0.580  -2.020   1.949
   89    HA   TYR  14           HA       TYR  14   1.345   0.564   1.808
   90   1HB   TYR  14          2HB       TYR  14   1.095  -1.250   0.038
   91   2HB   TYR  14          1HB       TYR  14  -0.544  -0.638  -0.189
   92    HD1  TYR  14           HD1      TYR  14  -0.646   2.064  -0.282
   93    HD2  TYR  14           HD2      TYR  14   2.757  -0.341  -1.325
   94    HE1  TYR  14           HE1      TYR  14   0.278   3.946  -1.592
   95    HE2  TYR  14           HE2      TYR  14   3.680   1.540  -2.641
   96    HH   TYR  14           HH       TYR  14   2.064   3.963  -3.771
   97    H    LYS  15           H        LYS  15  -2.084  -0.298   1.126
   98    HA   LYS  15           HA       LYS  15  -3.188   2.229   0.928
   99   1HB   LYS  15          2HB       LYS  15  -4.057  -0.408   2.020
  100   2HB   LYS  15          1HB       LYS  15  -5.095   0.973   2.369
  101   1HG   LYS  15          2HG       LYS  15  -4.163   0.846  -0.422
  102   2HG   LYS  15          1HG       LYS  15  -5.200  -0.499   0.055
  103   1HD   LYS  15          2HD       LYS  15  -6.443   1.731   1.173
  104   2HD   LYS  15          1HD       LYS  15  -5.900   2.296  -0.405
  105   1HE   LYS  15          2HE       LYS  15  -7.105  -0.401  -0.457
  106   2HE   LYS  15          1HE       LYS  15  -8.228   0.898  -0.010
  107   1HZ   LYS  15          1HZ       LYS  15  -7.702   0.412  -2.515
  108   2HZ   LYS  15          2HZ       LYS  15  -6.331   1.362  -2.200
  109   3HZ   LYS  15          3HZ       LYS  15  -7.885   2.006  -1.964
  110    H    GLN  16           H        GLN  16  -2.634   0.442   3.974
  111    HA   GLN  16           HA       GLN  16  -3.296   2.772   5.633
  112   1HB   GLN  16          2HB       GLN  16  -1.938   0.162   6.372
  113   2HB   GLN  16          1HB       GLN  16  -2.863   1.217   7.435
  114   1HG   GLN  16          2HG       GLN  16  -4.132   0.000   4.986
  115   2HG   GLN  16          1HG       GLN  16  -4.040  -0.897   6.500
  116   1HE2  GLN  16          1HE2      GLN  16  -6.581  -0.508   5.986
  117   2HE2  GLN  16          2HE2      GLN  16  -7.249   0.837   6.777
  118    H    CYS  17           H        CYS  17  -0.482   1.533   4.062
  119    HA   CYS  17           HA       CYS  17   1.371   3.013   5.868
  120   1HB   CYS  17          2HB       CYS  17   2.040   0.781   5.349
  121   2HB   CYS  17          1HB       CYS  17   1.641   0.979   3.643
  122    H    HIS  18           H        HIS  18   1.330   2.560   2.322
  123    HA   HIS  18           HA       HIS  18   2.144   5.406   2.001
  124   1HB   HIS  18          2HB       HIS  18   2.198   2.895   0.330
  125   2HB   HIS  18          1HB       HIS  18   2.472   4.477  -0.408
  126    HD1  HIS  18           HD1      HIS  18   4.264   1.805   1.161
  127    HD2  HIS  18           HD2      HIS  18   4.621   5.955   1.189
  128    HE1  HIS  18           HE1      HIS  18   6.600   2.319   1.973
  129    H    GLY  19           H        GLY  19  -0.729   3.910   2.286
  130   1HA   GLY  19          2HA       GLY  19  -1.982   5.220  -0.067
  131   2HA   GLY  19          1HA       GLY  19  -2.770   4.038   0.984
  132    H    ARG  20           H        ARG  20  -0.875   6.634   2.332
  133    HA   ARG  20           HA       ARG  20  -1.508   8.552   3.570
  134   1HB   ARG  20          2HB       ARG  20  -3.457   8.182   1.477
  135   2HB   ARG  20          1HB       ARG  20  -4.273   8.753   2.932
  136   1HG   ARG  20          2HG       ARG  20  -3.587  10.816   2.296
  137   2HG   ARG  20          1HG       ARG  20  -1.997  10.315   2.873
  138   1HD   ARG  20          2HD       ARG  20  -2.419   9.263   0.215
  139   2HD   ARG  20          1HD       ARG  20  -2.691  11.017   0.218
  140    HE   ARG  20           HE       ARG  20  -0.393  10.524   1.801
  141   1HH1  ARG  20          1HH2      ARG  20   0.062   8.510  -0.414
  142   2HH1  ARG  20          2HH2      ARG  20   0.956   9.452  -1.561
  143   1HH2  ARG  20          1HH1      ARG  20   0.109  12.492  -0.120
  144   2HH2  ARG  20          2HH1      ARG  20   0.983  11.708  -1.394
  145    H    LEU  21           H        LEU  21  -3.049   9.115   5.439
  146    HA   LEU  21           HA       LEU  21  -4.449   6.728   6.544
  147   1HB   LEU  21          2HB       LEU  21  -3.174   7.403   8.751
  148   2HB   LEU  21          1HB       LEU  21  -2.348   6.428   7.537
  149    HG   LEU  21           HG       LEU  21  -1.384   8.525   6.569
  150   1HD1  LEU  21          1HD1      LEU  21  -3.066   9.690   8.742
  151   2HD1  LEU  21          2HD1      LEU  21  -2.704  10.327   7.139
  152   3HD1  LEU  21          3HD1      LEU  21  -1.506  10.449   8.427
  153   1HD2  LEU  21          1HD2      LEU  21   0.230   7.619   7.928
  154   2HD2  LEU  21          2HD2      LEU  21  -0.851   7.524   9.319
  155   3HD2  LEU  21          3HD2      LEU  21  -0.097   9.060   8.891
  156    H    GLN  22           HN       GLN  22  -5.652   9.068   5.536
  157    HA   GLN  22           HA       GLN  22  -7.374   9.811   7.686
  158   1HB   GLN  22          2HB       GLN  22  -6.396  11.683   8.592
  159   2HB   GLN  22          1HB       GLN  22  -4.920  10.911   8.024
  160   1HG   GLN  22          2HG       GLN  22  -5.083  12.206   5.904
  161   2HG   GLN  22          1HG       GLN  22  -6.514  13.020   6.538
  162   1HE2  GLN  22          1HE2      GLN  22  -6.148  14.195   8.716
  163   2HE2  GLN  22          2HE2      GLN  22  -4.639  14.934   8.954
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -6.645  -9.797  -3.835
    2   2H    GLY   1          2HT       GLY   1  -7.533  -9.691  -5.280
    3   3H    GLY   1          3HT       GLY   1  -8.207  -9.137  -3.822
    4   1HA   GLY   1          2HA       GLY   1  -6.281  -7.858  -5.595
    5   2HA   GLY   1          1HA       GLY   1  -7.547  -7.137  -4.598
    6    H    ARG   2           H        ARG   2  -4.240  -8.300  -4.620
    7    HA   ARG   2           HA       ARG   2  -3.815  -6.911  -1.998
    8   1HB   ARG   2          2HB       ARG   2  -2.939  -9.655  -2.936
    9   2HB   ARG   2          1HB       ARG   2  -2.195  -8.849  -1.555
   10   1HG   ARG   2          2HG       ARG   2  -3.859  -9.676  -0.279
   11   2HG   ARG   2          1HG       ARG   2  -4.963  -8.601  -1.138
   12   1HD   ARG   2          2HD       ARG   2  -5.996 -10.425  -1.993
   13   2HD   ARG   2          1HD       ARG   2  -4.492 -10.842  -2.840
   14    HE   ARG   2           HE       ARG   2  -5.305 -11.862  -0.167
   15   1HH1  ARG   2          1HH2      ARG   2  -2.340 -11.071  -1.232
   16   2HH1  ARG   2          2HH2      ARG   2  -1.719 -12.679  -1.399
   17   1HH2  ARG   2          1HH1      ARG   2  -4.811 -14.200  -1.042
   18   2HH2  ARG   2          2HH1      ARG   2  -3.115 -14.448  -1.290
   19    H    ASN   3           H        ASN   3  -2.581  -5.156  -2.702
   20    HA   ASN   3           HA       ASN   3  -0.085  -5.806  -4.222
   21   1HB   ASN   3          2HB       ASN   3  -1.640  -3.299  -4.761
   22   2HB   ASN   3          1HB       ASN   3  -0.519  -4.156  -5.815
   23   1HD2  ASN   3          1HD2      ASN   3  -1.491  -5.397  -7.420
   24   2HD2  ASN   3          2HD2      ASN   3  -3.082  -5.987  -7.368
   25    H    ASP   4           H        ASP   4   0.959  -5.560  -2.075
   26    HA   ASP   4           HA       ASP   4   1.066  -2.699  -1.166
   27   1HB   ASP   4          2HB       ASP   4   1.453  -5.370   0.159
   28   2HB   ASP   4          1HB       ASP   4   2.101  -3.911   0.894
   29    HA   PRO   5           HA       PRO   5   5.018  -3.842  -3.405
   30   1HB   PRO   5          2HB       PRO   5   5.164  -1.430  -4.720
   31   2HB   PRO   5          1HB       PRO   5   4.257  -2.819  -5.339
   32   1HG   PRO   5          2HG       PRO   5   3.235  -0.511  -3.716
   33   2HG   PRO   5          1HG       PRO   5   2.597  -1.159  -5.236
   34   1HD   PRO   5          2HD       PRO   5   1.458  -1.869  -2.979
   35   2HD   PRO   5          1HD       PRO   5   1.793  -3.107  -4.211
   36    H    CYS   6           H        CYS   6   5.539  -0.490  -3.419
   37    HA   CYS   6           HA       CYS   6   7.224   0.690  -2.256
   38   1HB   CYS   6          2HB       CYS   6   6.120   1.471  -0.232
   39   2HB   CYS   6          1HB       CYS   6   4.893   1.107  -1.415
   40    HA   PRO   7           HA       PRO   7   9.642  -1.998   0.371
   41   1HB   PRO   7          2HB       PRO   7  10.045  -0.862   2.800
   42   2HB   PRO   7          1HB       PRO   7  10.695  -0.161   1.305
   43   1HG   PRO   7          2HG       PRO   7   8.561   0.789   3.009
   44   2HG   PRO   7          1HG       PRO   7   9.439   1.636   1.735
   45   1HD   PRO   7          2HD       PRO   7   6.822   0.382   1.638
   46   2HD   PRO   7          1HD       PRO   7   7.620   1.423   0.438
   47    H    CYS   8           H        CYS   8   6.603  -2.215   0.755
   48    HA   CYS   8           HA       CYS   8   6.551  -3.446   3.436
   49   1HB   CYS   8          2HB       CYS   8   4.414  -2.597   1.486
   50   2HB   CYS   8          1HB       CYS   8   4.060  -3.438   2.987
   51    H    GLY   9           H        GLY   9   5.334  -4.194   0.136
   52   1HA   GLY   9          2HA       GLY   9   5.131  -6.269  -0.959
   53   2HA   GLY   9          1HA       GLY   9   6.365  -6.879   0.145
   54    H    SER  10           H        SER  10   2.883  -6.329  -0.204
   55    HA   SER  10           HA       SER  10   2.283  -8.692   1.353
   56   1HB   SER  10          2HB       SER  10   1.264  -7.412   3.201
   57   2HB   SER  10          1HB       SER  10   2.990  -7.096   3.063
   58    HG   SER  10           HG       SER  10   0.811  -5.448   2.607
   59    H    GLY  11           H        GLY  11  -0.232  -6.919   2.184
   60   1HA   GLY  11          2HA       GLY  11  -1.556  -6.976  -0.487
   61   2HA   GLY  11          1HA       GLY  11  -2.311  -7.763   0.893
   62    H    LYS  12           H        LYS  12  -2.505  -6.131   2.891
   63    HA   LYS  12           HA       LYS  12  -3.873  -3.734   1.796
   64   1HB   LYS  12          2HB       LYS  12  -3.920  -5.051   4.519
   65   2HB   LYS  12          1HB       LYS  12  -4.989  -3.747   3.995
   66   1HG   LYS  12          2HG       LYS  12  -6.117  -5.116   2.457
   67   2HG   LYS  12          1HG       LYS  12  -4.805  -6.292   2.400
   68   1HD   LYS  12          2HD       LYS  12  -6.462  -5.780   4.882
   69   2HD   LYS  12          1HD       LYS  12  -6.837  -7.045   3.709
   70   1HE   LYS  12          2HE       LYS  12  -5.085  -8.366   4.382
   71   2HE   LYS  12          1HE       LYS  12  -4.022  -6.974   4.676
   72   1HZ   LYS  12          1HZ       LYS  12  -6.259  -7.934   6.374
   73   2HZ   LYS  12          2HZ       LYS  12  -5.539  -6.407   6.570
   74   3HZ   LYS  12          3HZ       LYS  12  -4.619  -7.817   6.793
   75    H    LYS  13           H        LYS  13  -1.265  -4.600   3.925
   76    HA   LYS  13           HA       LYS  13  -0.632  -2.544   5.506
   77   1HB   LYS  13          2HB       LYS  13   0.908  -4.347   5.081
   78   2HB   LYS  13          1HB       LYS  13   1.124  -3.809   3.415
   79   1HG   LYS  13          2HG       LYS  13   2.975  -2.794   4.296
   80   2HG   LYS  13          1HG       LYS  13   1.815  -1.537   4.704
   81   1HD   LYS  13          2HD       LYS  13   1.650  -2.253   6.947
   82   2HD   LYS  13          1HD       LYS  13   2.347  -3.833   6.582
   83   1HE   LYS  13          2HE       LYS  13   4.537  -2.855   6.207
   84   2HE   LYS  13          1HE       LYS  13   3.874  -1.215   6.352
   85   1HZ   LYS  13          1HZ       LYS  13   3.057  -1.874   8.591
   86   2HZ   LYS  13          2HZ       LYS  13   4.752  -1.824   8.469
   87   3HZ   LYS  13          3HZ       LYS  13   3.938  -3.315   8.449
   88    H    TYR  14           H        TYR  14   0.610  -2.294   2.246
   89    HA   TYR  14           HA       TYR  14   1.364   0.297   2.024
   90   1HB   TYR  14          2HB       TYR  14   1.165  -1.536   0.285
   91   2HB   TYR  14          1HB       TYR  14  -0.502  -1.017   0.057
   92    HD1  TYR  14           HD1      TYR  14  -0.693   1.726  -0.092
   93    HD2  TYR  14           HD2      TYR  14   2.719  -0.631  -1.213
   94    HE1  TYR  14           HE1      TYR  14   0.116   3.581  -1.507
   95    HE2  TYR  14           HE2      TYR  14   3.521   1.222  -2.639
   96    HH   TYR  14           HH       TYR  14   1.565   3.948  -3.409
   97    H    LYS  15           H        LYS  15  -2.066  -0.732   1.688
   98    HA   LYS  15           HA       LYS  15  -3.210   1.805   1.275
   99   1HB   LYS  15          2HB       LYS  15  -4.161  -0.579   2.903
  100   2HB   LYS  15          1HB       LYS  15  -5.205   0.752   2.412
  101   1HG   LYS  15          2HG       LYS  15  -4.528   0.269   0.018
  102   2HG   LYS  15          1HG       LYS  15  -3.750  -1.200   0.612
  103   1HD   LYS  15          2HD       LYS  15  -5.768  -2.196   1.207
  104   2HD   LYS  15          1HD       LYS  15  -6.596  -0.649   1.383
  105   1HE   LYS  15          2HE       LYS  15  -6.038  -0.496  -1.242
  106   2HE   LYS  15          1HE       LYS  15  -6.120  -2.263  -1.080
  107   1HZ   LYS  15          1HZ       LYS  15  -8.261  -2.170  -0.226
  108   2HZ   LYS  15          2HZ       LYS  15  -8.302  -0.984  -1.440
  109   3HZ   LYS  15          3HZ       LYS  15  -8.146  -0.531   0.190
  110    H    GLN  16           H        GLN  16  -2.397   0.187   4.341
  111    HA   GLN  16           HA       GLN  16  -3.134   2.521   5.968
  112   1HB   GLN  16          2HB       GLN  16  -1.598   0.020   6.731
  113   2HB   GLN  16          1HB       GLN  16  -2.569   1.043   7.787
  114   1HG   GLN  16          2HG       GLN  16  -3.740  -0.440   5.423
  115   2HG   GLN  16          1HG       GLN  16  -3.678  -1.127   7.043
  116   1HE2  GLN  16          1HE2      GLN  16  -6.006  -1.052   7.347
  117   2HE2  GLN  16          2HE2      GLN  16  -6.838   0.416   7.525
  118    H    CYS  17           H        CYS  17  -0.367   1.435   4.251
  119    HA   CYS  17           HA       CYS  17   1.508   3.016   5.951
  120   1HB   CYS  17          2HB       CYS  17   2.254   0.800   5.459
  121   2HB   CYS  17          1HB       CYS  17   1.757   0.928   3.774
  122    H    HIS  18           H        HIS  18   1.098   2.482   2.433
  123    HA   HIS  18           HA       HIS  18   1.798   5.354   1.998
  124   1HB   HIS  18          2HB       HIS  18   2.036   2.806   0.404
  125   2HB   HIS  18          1HB       HIS  18   2.246   4.386  -0.354
  126    HD1  HIS  18           HD1      HIS  18   4.296   1.881   0.804
  127    HD2  HIS  18           HD2      HIS  18   4.125   5.933   1.747
  128    HE1  HIS  18           HE1      HIS  18   6.554   2.479   1.767
  129    H    GLY  19           H        GLY  19  -0.950   3.662   2.369
  130   1HA   GLY  19          2HA       GLY  19  -2.345   4.446  -0.087
  131   2HA   GLY  19          1HA       GLY  19  -3.075   3.671   1.320
  132    H    ARG  20           H        ARG  20  -2.068   5.628   3.245
  133    HA   ARG  20           HA       ARG  20  -3.852   7.927   2.517
  134   1HB   ARG  20          2HB       ARG  20  -3.994   6.106   4.576
  135   2HB   ARG  20          1HB       ARG  20  -3.153   7.453   5.343
  136   1HG   ARG  20          2HG       ARG  20  -5.129   8.507   5.558
  137   2HG   ARG  20          1HG       ARG  20  -5.234   8.593   3.798
  138   1HD   ARG  20          2HD       ARG  20  -6.094   6.118   3.985
  139   2HD   ARG  20          1HD       ARG  20  -6.452   6.568   5.664
  140    HE   ARG  20           HE       ARG  20  -7.480   8.115   3.312
  141   1HH1  ARG  20          1HH2      ARG  20  -9.223   6.057   4.705
  142   2HH1  ARG  20          2HH2      ARG  20 -10.128   7.058   5.790
  143   1HH2  ARG  20          1HH1      ARG  20  -7.990   9.770   5.494
  144   2HH2  ARG  20          2HH1      ARG  20  -9.428   9.157   6.242
  145    H    LEU  21           H        LEU  21  -1.547   8.543   1.478
  146    HA   LEU  21           HA       LEU  21   0.218   9.808   3.526
  147   1HB   LEU  21          2HB       LEU  21   0.805   8.257   1.422
  148   2HB   LEU  21          1HB       LEU  21   0.784   9.814   0.593
  149    HG   LEU  21           HG       LEU  21   2.192  10.307   2.956
  150   1HD1  LEU  21          1HD1      LEU  21   2.254   7.703   3.018
  151   2HD1  LEU  21          2HD1      LEU  21   3.762   8.583   3.253
  152   3HD1  LEU  21          3HD1      LEU  21   3.402   7.859   1.687
  153   1HD2  LEU  21          1HD2      LEU  21   4.102  10.578   1.427
  154   2HD2  LEU  21          2HD2      LEU  21   2.635  11.226   0.696
  155   3HD2  LEU  21          3HD2      LEU  21   3.252   9.655   0.187
  156    H    GLN  22           HN       GLN  22  -2.085  11.216   3.454
  157    HA   GLN  22           HA       GLN  22  -1.668  13.458   1.512
  158   1HB   GLN  22          2HB       GLN  22  -3.835  12.150   1.618
  159   2HB   GLN  22          1HB       GLN  22  -4.068  12.795   3.244
  160   1HG   GLN  22          2HG       GLN  22  -5.234  14.357   1.969
  161   2HG   GLN  22          1HG       GLN  22  -3.644  15.115   2.065
  162   1HE2  GLN  22          1HE2      GLN  22  -2.844  15.775   0.069
  163   2HE2  GLN  22          2HE2      GLN  22  -3.255  15.082  -1.426