*HEADER    SIGNALING PROTEIN                       24-SEP-99   1D2L              
*TITLE     NMR SOLUTION STRUCTURE OF COMPLEMENT-LIKE REPEAT CR3 FROM             
*TITLE    2 THE LOW DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN (LRP).          
*TITLE    3 EVIDENCE FOR SPECIFIC BINDING TO THE RECEPTOR BINDING                
*TITLE    4 DOMAIN OF HUMAN ALPHA-2 MACROGLOBULIN                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIPOPROTEIN RECEPTOR RELATED PROTEIN;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: COMPLEMENT-LIKE REPEAT 3 (CR3);                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 TISSUE: LIVER;                                                       
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    LIGAND BINDING, CALCIUM BINDING, COMPLEMENT-LIKE REPEAT,              
*KEYWDS   2 RECEPTOR                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.DOLMER, W.HUANG, P.G.W.GETTINS                                      
*REVDAT   1   14-JAN-00 1D2L    0
# 

# DYANA NOE constraint file for CR1/3
# from 15Nnoehsqc
# intensity is /E6
# intensity(I)>30 set distance(d)<3A; 30>I>20 set d<4A; I<20 set d<5A
# if QB +1; if side chain +0.5
#### GLN 5 I=905 ####
  5 GLN  HN      4 PRO  HA      5.00 #I=22             4.26
  5 GLN  HN      5 GLN  HB3     5.50 #I=13             1.84
#### CYSS 6 I=1106 ####
  6 CYSS HN      7 GLN  HG3     5.50 #I=9.2            2.25
#### GLN 7 I=819 ####
  7 GLN  HN      7 GLN  HA      5.00 #I=15.9           4.35
  7 GLN  HN      6 CYSS HB2     3.50 #I=64.9           3.58
  7 GLN  HN      7 GLN  HG3     4.50 #I=35.6           2.24
  7 GLN  HN      7 GLN  HB2     5.50 #I=16.5           2.08
#### GLY 9 I=740 ####
  9 GLY  HN      4 PRO  HA      3.00 #I=148.9          4.24
  9 GLY  HN      9 GLY  HA1     3.00 #I=40.7           4.11
  9 GLY  HN      9 GLY  HA2     3.00 #I=82.5           3.59
  9 GLY  HN     10 GLU- HB2     5.50 #I=6.3            1.87
#### GLU-10 ####  
 10 GLU- HN      9 GLY  HN      3.00 #I=42.5           8.76
 10 GLU- HN     11 PHE  HA      6.00 #I=5              4.51
 10 GLU- HN      4 PRO  HA      6.00 #I=20             4.25
 10 GLU- HN      9 GLY  HA1     6.00 #I=20             4.11
 10 GLU- HN     20 GLN  HA      6.00 #I=9              3.95
 10 GLU- HN     10 GLU- HB2     4.50 #I=65.3           2.34
 10 GLU- HN     10 GLU- HG2     4.50 #I=28.2           1.89
 10 GLU- HN     10 GLU- HB3     4.50 #I=24.0           1.56
#### PHE 11 I=493 #### 
 11 PHE  HN     19 ILE  HN      4.00 #I=21             8.67
 11 PHE  HN     10 GLU- HA      3.00 #I=104.3          4.85
 11 PHE  HN     11 PHE  HA      4.00 #I=28             4.52
 11 PHE  HN     11 PHE  HB2     3.50 #I=41.1           2.72
 11 PHE  HN     11 PHE  HB3     3.50 #I=63             2.52
 11 PHE  HN     10 GLU- HB2     5.50 #I=15.6           2.35
 11 PHE  HN     10 GLU- HB3     3.50 #I=47.6           1.56
 11 PHE  HN     19 ILE  HG12    5.50 #I=11.1           1.24
 11 PHE  HN     12 ALA  QB      6.50 #I=8.7            0.84
#### ALA 12 I=478 ####
 12 ALA  HN     12 ALA  HA      3.00 #I=187.7           4.52
 12 ALA  HN     11 PHE  HB3     6.00 #I=10              2.52
 12 ALA  HN     12 ALA  QB      4.50 #I=124.2           0.85
#### CYS 13 ####
 13 CYSS HN     14 ALA  HN      5.00 #I=7              9.14
 13 CYSS HN     18 CYSS HA      4.00 #I=28             5.45
 13 CYSS HN     12 ALA  HA      3.00 #I=180.7          4.52
 13 CYSS HN     13 CYSS HA      3.00 #I=35             4.32
 13 CYSS HN     13 CYSS HB2     3.50 #I=61             3.18
 13 CYSS HN     13 CYSS HB3     4.50 #I=23             2.95
 13 CYSS HN     17 ARG  QB      6.50 #I=8              1.76
 13 CYSS HN     19 ILE  HG12    5.50 #I=5              1.45
 13 CYSS HN     19 ILE  HG13    5.50 #I=5              1.22
#### ALA 14 ####  
 14 ALA  HN     15 ASN  HN      4.00 #I=23.2           7.47
 14 ALA  HN     11 PHE  HZ      4.50 #I=30             7.88
 14 ALA  HN     13 CYSS HA      3.00 #I=103.3          4.32
 14 ALA  HN     14 ALA  HA      3.00 #I=46.6           3.96
 14 ALA  HN     31 CYSS HB2     5.50 #I=10             3.44 
 14 ALA  HN     14 ALA  QB      4.50 #I=80.7           1.43
#### ASN 15 #### 
 15 ASN  HN     16 SER  HN      3.00 #I=51             7.65
 15 ASN  HN     15 ASN  HA      3.00 #I=43             4.42
 15 ASN  HN     14 ALA  HA      4.00 #I=27             3.98
 15 ASN  HN     16 SER  QB      6.00 #I=9              3.81
 15 ASN  HN     15 ASN  HB2     3.50 #I=42             3.13
 15 ASN  HN     13 CYSS HB3     3.50 #I=44             2.95
 15 ASN  HN     15 ASN  HB3     3.50 #I=57             2.66
 15 ASN  HN     14 ALA  QB      4.50 #I=60             1.42
#### SER 16 #### 
 16 SER  HN     17 ARG  HN      3.00 #I=47.3           7.42
 16 SER  HN     15 ASN  HA      4.00 #I=24             4.41
 16 SER  HN     16 SER  HA      5.00 #I=13             4.16
 16 SER  HN     16 SER  QB      4.00 #I=197            3.80
 16 SER  HN     13 CYSS HB2     4.50 #I=19             3.18
 16 SER  HN     13 CYSS HB3     4.50 #I=11             2.95
 16 SER  HN     17 ARG  QB      6.50 #I=7              1.77
 16 SER  HN     17 ARG  HG2     5.00 #I=10             1.42
 16 SER  HN     19 ILE  QD1     6.50 #I=8              0.83
#### ARG 17 I=1224 #### 
 17 ARG  HN     12 ALA  HA      5.00 #I=10             4.52
 17 ARG  HN     17 ARG  HA      3.00 #I=48             4.07
 17 ARG  HN     16 SER  QB      5.50 #I=28             3.80
 17 ARG  HN     17 ARG  HD2     4.00 #I=92             3.19
 17 ARG  HN     13 CYSS HB3     4.50 #I=30             2.95
 17 ARG  HN     17 ARG  QB      4.50 #I=132            1.77
 17 ARG  HN     17 ARG  HG2     3.50 #I=78             1.41
#### CYSS 18 I=1081 ####
 18 CYSS HN     17 ARG  HA      3.00 #I=132.6          4.08
 18 CYSS HN     18 CYSS HB2     5.50 #I=15.7           2.76
 18 CYSS HN     18 CYSS HB3     3.50 #I=52.5           2.61
 18 CYSS HN     17 ARG  QB      4.50 #I=60.9           1.77
 18 CYSS HN     17 ARG  HG2     5.50 #I=15.8           1.41
 18 CYSS HN     19 ILE  QD1     6.50 #I=7.0            0.81
#### ILE 19 I=480 ####
 19 ILE  HN     13 CYSS HN      5.00 #I=10             8.42
 19 ILE  HN     18 CYSS HA      3.00 #I=117            5.45
 19 ILE  HN     19 ILE  HA      4.00 #I=26             4.98
 19 ILE  HN     12 ALA  HA      5.00 #I=9              4.52
 19 ILE  HN     18 CYSS HB3     4.50 #I=29             2.76
 19 ILE  HN     11 PHE  HB3     5.50 #I=12             2.52
 19 ILE  HN     10 GLU- HB2     5.50 #I=7              2.36
 19 ILE  HN     19 ILE  HB      5.50 #I=7.5            2.08
 19 ILE  HN     19 ILE  HG13    4.00 #I=39.0           1.23 + 0.5 A
 19 ILE  HN     19 ILE  QD1     4.50 #I=30.3           0.82
#### GLN 20 I=651 ####
 20 GLN  HN     19 ILE  HA      3.00 #I=75.2           4.98
 20 GLN  HN     20 GLN  HA      4.00 #I=21             3.96
 20 GLN  HN     20 GLN  QG      4.50 #I=85.1           2.03
 20 GLN  HN     20 GLN  HB2     4.50 #I=22.3           1.68
 20 GLN  HN     20 GLN  HB3     3.50 #I=47.5           0.93
 20 GLN  HN     19 ILE  QD1     5.50 #I=20.4           0.82 
#### GLU-21 I=1162 #### 
 21 GLU- HN     10 GLU- HA      3.00 #I=71             4.85
 21 GLU- HN     20 GLN  HA      3.00 #I=175            3.96
 21 GLU- HN     21 GLU- HG2     4.50 #I=22             2.12
 21 GLU- HN     20 GLN  QB      6.50 #I=19             2.00
 21 GLU- HN     21 GLU- HB2     4.50 #I=57             1.84
 21 GLU- HN     21 GLU- HB3     4.50 #I=87.4           1.67
 21 GLU- HN     20 GLN  HB2     4.50 #I=87.4           1.67
 21 GLU- HN     10 GLU- HB3     5.50 #I=9.4            1.56
 21 GLU- HN     20 GLN  HB3     5.50 #I=8.8            0.95
#### ARG 22 I=1092 ####
 22 ARG  HN     21 GLU- HN      4.00 #I=23             8.16
 22 ARG  HN     22 ARG  HA      3.00 #I=57.0           4.00
 22 ARG  HN     23 TRP  HB2     5.50 #I=6              2.96
 22 ARG  HN     22 ARG  HD3     5.50 #I=10             2.67
 22 ARG  HN     19 ILE  HB      6.25 #I=13             2.11 + 0.75A
 22 ARG  HN     21 GLU- HG3     5.50 #I=16             1.99
 22 ARG  HN     21 GLU- HB2     5.50 #I=15             1.85
 22 ARG  HN     21 GLU- HB3     3.50 #I=63.1           1.67
 22 ARG  HN     22 ARG  HB2     3.50 #I=73             1.53
 22 ARG  HN     22 ARG  HB3     3.50 #I=77.2           1.35
 22 ARG  HN     22 ARG  HG3     5.50 #I=24.1           0.37
#### TRP 23 I=1207 #### 
 23 TRP  HN     22 ARG  HN      4.00 #I=93.2           7.89
 23 TRP  HN     23 TRP  HD1     4.50 #I=25             6.98
 23 TRP  HN     23 TRP  HA      3.00 #I=47             5.11
 23 TRP  HN     22 ARG  HA      4.00 #I=23             3.99
 23 TRP  HN     23 TRP  HB3     3.50 #I=72             2.94
 23 TRP  HN     21 GLU- HG3     5.50 #I=8              2.01
 23 TRP  HN     21 GLU- HB3     5.50 #I=12             1.68
 23 TRP  HN     22 ARG  HB2     5.00 #I=13             1.53
 23 TRP  HN     22 ARG  HB3     5.00 #I=14             1.37
 23 TRP  HN     22 ARG  HB3     4.50 #I=34             0.86
 23 TRP  HN     22 ARG  HG3     5.50 #I=17             0.37
#### LYS 24 I=1180 #### 
 24 LYS  HN     23 TRP  HN      3.00 #I=58.6           7.31
 24 LYS  HN     23 TRP  HA      4.00 #I=29             5.11
 24 LYS  HN     22 ARG  HA      5.00 #I=15             3.99
 24 LYS  HN     24 LYS  HA      3.00 #I=44             3.89
 24 LYS  HN     21 GLU- HA      4.00 #I=26             3.66
 24 LYS  HN     23 TRP  HB3     5.50 #I=12             2.96
 24 LYS  HN     24 LYS  HB2     3.50 #I=65             1.56
 24 LYS  HN     24 LYS  HB3     3.50 #I=72.8           1.29
#### CYSS 25 I=796 ####
 25 CYSS HN     26 ASP- HN      4.00 #I=32 ?           9.90
 25 CYSS HN     25 CYSS HA      3.00 #I=140.7          4.52
 25 CYSS HN     24 LYS  HA      3.00 #I=194.5          3.89
 25 CYSS HN     25 CYSS HB3     5.50 #I=16             2.78
 25 CYSS HN     36 ASP- HB3     4.50 #I=26.7           2.38
 25 CYSS HN     24 LYS  HB2     5.50 #I=15.7           1.58
 25 CYSS HN     37 GLU- HB3     5.50 #I=11.3           1.27
 25 CYSS HN     41 LEU  HG      6.20 #I=11.3           1.27 + 0.7 A
 25 CYSS HN     24 LYS  HG3     5.00 #I=22             0.78 close to 20 => +0.5
#### ASP-26 I=661 #### 
 26 ASP- HN     27 GLY  HN      3.00 #I=115            9.40
 26 ASP- HN     28 ASP- HN      5.00 #I=14             7.61
 26 ASP- HN     26 ASP- HA      3.00 #I=34             4.74
 26 ASP- HN     25 CYSS HA      3.50 #I=46.1           4.51
 26 ASP- HN     27 GLY  HA1     5.00 #I=6.0            4.17
 26 ASP- HN     27 GLY  HA2     5.00 #I=10.3           3.37
 26 ASP- HN     25 CYSS HB3     5.50 #I=6.3            2.77
 26 ASP- HN     26 ASP- HB3     4.50 #I=26.2           2.33
#### GLY 27 I=802 #### 
 27 GLY  HN     26 ASP- HA      4.00 #I=24             4.74
 27 GLY  HN     43 HIS  HA      4.70 #I=26             4.51 + 0.7 A
 27 GLY  HN     27 GLY  HA1     3.00 #I=62             4.16
 27 GLY  HN     27 GLY  HA2     3.00 #I=114            3.36
 27 GLY  HN     26 ASP- HB2     5.00 #I=7.2            3.06
 27 GLY  HN     26 ASP- HB3     5.00 #I=6.6            2.33
#### ASP-28 I=873 #### 
 28 ASP- HN     26 ASP- HA      5.00 #I=10             9.90
 28 ASP- HN     27 GLY  HN      4.00 #I=29.1           9.40
 28 ASP- HN     28 ASP- HA      3.00 #I=30             4.83
 28 ASP- HN     27 GLY  HA1     5.00 #I=15             4.16
 28 ASP- HN     28 ASP- HB2     3.50 #I=42.7           2.86
 28 ASP- HN     28 ASP- HB3     5.50 #I=18             2.40
#### ASN 29 I=162 ####
 29 ASN  HN     28 ASP- HA      3.00 #I=52.6           4.83
 29 ASN  HN     29 ASN  HA      3.00 #I=107.1          4.65
 29 ASN  HN     29 ASN  HB2     3.50 #I=34             2.95
 29 ASN  HN     29 ASN  HB3     3.50 #I=32             2.72
 29 ASN  HN     28 ASP- HB2     5.50 #I=9.0            2.39
#### ASP-30 I=527 ####
 30 ASP- HN     31 CYSS HN      3.25 #I=69             8.71 + 0.25 A
 30 ASP- HN     30 ASP- HA      3.00 #I=76.2           4.62
 30 ASP- HN     31 CYSS HA      5.60 #I=5              4.27 + 0.6 A
 30 ASP- HN     31 CYSS HB3     5.50 #I=5              3.19
 30 ASP- HN     29 ASN  HB2     5.50 #I=5              2.97
 30 ASP- HN     30 ASP- HB2     3.50 #I=43.7           2.62
 30 ASP- HN     30 ASP- HB3     4.50 #I=20.1           2.52
 30 ASP- HN     28 ASP- HB2     5.50 #I=6.2            2.39
 30 ASP- HN     37 GLU- HG2     5.50 #I=5.8            1.86
 30 ASP- HN     37 GLU- HG3     5.50 #I=7.2            1.72
#### ASP-33 I=1019 #### 
 33 ASP- HN     34 ASN  HN      3.00 #I=70             8.57
 33 ASP- HN     33 ASP- HA      3.00 #I=33             4.63
 33 ASP- HN     31 CYSS HA      5.00 #I=13             4.27
 33 ASP- HN     32 LEU  HA      5.00 #I=14             3.64
 33 ASP- HN     31 CYSS HB3     3.50 #I=31             3.18
 33 ASP- HN     33 ASP- HB2     5.50 #I=14             3.09
 33 ASP- HN     33 ASP- HB3     3.50 #I=32             2.46
 33 ASP- HN     32 LEU  HB2     5.50 #I=16             2.25
 33 ASP- HN     32 LEU  HB3     5.50 #I=14             1.40
 33 ASP- HN     32 LEU  QQD     6.50 #I=7              0.73
#### 34 ASN I=476 #### 
#### SER 35 I=375 #### 
 35 SER  HN     34 ASN  HN      5.00 #I=18             8.58
 35 SER  HN     31 CYSS HB2     5.50 #I=14             3.43
 35 SER  HN     31 CYSS HB3     4.50 #I=26             3.18
 35 SER  HN     34 ASN  HB2     5.50 #I=5              2.98
 35 SER  HN     34 ASN  HB3     5.50 #I=5              2.33
#### 36 ASP-I=631 #### 
 36 ASP- HN     35 SER  HN      4.00 #I=29             8.98
 36 ASP- HN     31 CYSS HN      5.00 #I=10             8.71
 36 ASP- HN     11 PHE  HZ      5.50 #I=9              7.86
 36 ASP- HN     37 GLU- HN      3.00 #I=68             7.13
 36 ASP- HN     38 ALA  HN      5.00 #I=6              6.59
 36 ASP- HN     35 SER  HA      4.00 #I=22             4.28
 36 ASP- HN     36 ASP- HA      3.00 #I=38             3.93
 36 ASP- HN     31 CYSS HB2     5.50 #I=16             3.44
 36 ASP- HN     31 CYSS HB3     3.50 #I=37             3.19
 36 ASP- HN     36 ASP- HB3     5.50 #I=18.8           2.37
 36 ASP- HN     37 GLU- HG3     5.75 #I=4              1.69 + 0.25 A
 36 ASP- HN     38 ALA  QB      6.50 #I=6              1.38
 36 ASP- HN     41 LEU  QD1     6.50 #I=7              0.88
 36 ASP- HN     41 LEU  QD2     6.50 #I=4              0.68 
#### 37 GLU-I=713 #### 
 37 GLU- HN     38 ALA  HN      3.00 #I=98.6           6.59
 37 GLU- HN     35 SER  HA      5.00 #I=9              4.29
 37 GLU- HN     35 SER  QB      5.00 #I=11             4.02
 37 GLU- HN     36 ASP- HA      5.00 #I=16             3.93
 37 GLU- HN     36 ASP- HB3     5.50 #I=6              2.38
 37 GLU- HN     37 GLU- HB2     4.50 #I=22             2.20
 37 GLU- HN     37 GLU- HG3     3.50 #I=31             1.73
 37 GLU- HN     38 ALA  QB      5.50 #I=20             1.39
 37 GLU- HN     37 GLU- HB3     3.50 #I=53.4           1.25
 37 GLU- HN     41 LEU  QD2     6.50 #I=4.7            0.68
#### 38 ALA I=127 ####
 38 ALA  HN     38 ALA  QB      6.50 #I=17.8           1.39
 38 ALA  HN     40 ALA  QB      6.50 #I=4              1.25
#### 40 ALA I=1727 60/3 40/4 30/5 #### 
 40 ALA  HN     41 LEU  HN      4.00 #I=39             7.08
 40 ALA  HN     39 PRO  HA      3.00 #I=56             4.64
 40 ALA  HN     40 ALA  HA      3.00 #I=66             3.97
 40 ALA  HN     43 HIS  HB2     5.00 #I=23             3.73 + 0.5 A
 40 ALA  HN     38 ALA  QB      5.50 #I=54             1.39
 40 ALA  HN     41 LEU  QD2     6.50 #I=4.9            0.67
#### 41 LEU I=767 #### 
 41 LEU  HN     42 CYSS HN      3.00 #I=81.2           7.73
 41 LEU  HN     41 LEU  HA      3.00 #I=30             4.16
 41 LEU  HN     41 LEU  HB2     3.50 #I=70.0           1.94
 41 LEU  HN     41 LEU  HB3     3.50 #I=53.3           1.50
 41 LEU  HN     38 ALA  QB      4.50 #I=39.4           1.39
 41 LEU  HN     41 LEU  QD1     6.50 #I=8              0.92
 41 LEU  HN     41 LEU  QD2     6.50 #I=8              0.68
#### CYSS 42 I=653 ####
 42 CYSS HN     40 ALA  HN      4.25 #I=29             8.26 + 0.25 A
 42 CYSS HN     42 CYSS HA      4.00 #I=24             4.63
 42 CYSS HN     41 LEU  HA      5.00 #I=15             4.17
 42 CYSS HN     42 CYSS HB3     3.50 #I=59             2.24
 42 CYSS HN     41 LEU  HB2     3.50 #I=55             1.94
 42 CYSS HN     38 ALA  QB      6.50 #I=12             1.40
 42 CYSS HN     41 LEU  HG      5.50 #I=15             1.25
 42 CYSS HN     41 LEU  QD2     6.50 #I=9              0.67
#### HIS 45 I=2339 #### 
 45 HIS  HN     44 GLN  HA      5.00 #I=53.4           4.12
 45 HIS  HN     44 GLN  HB2     6.50 #I=6.9            1.91
# Data from C13 NOESY HSQC 
# Intensities are /E6
# I>10E6  d<3
# 10E6>I>4E6 d<4
# I<4E6 d<5
# sc +0.5A, Q +1.0A, QQD +2.4A
#### PRO 3 ####
  3 PRO  HA      3 PRO  HB2     3.50 #I=70             2.18
  3 PRO  HA      3 PRO  HB3     5.50 #I=3.5            2.04
#### PRO 4 ####
  4 PRO  HA      5 GLN  HB2     4.50 #I=7              1.84
  4 PRO  HA      4 PRO  HB2     3.50 #I=13             1.70
  4 PRO  HB3     9 GLY  HN      5.50 #I=3.5            8.75
#### Cys 6 ####
  6 CYSS HA      6 CYSS HN      3.00 #I=25.5           8.21
  6 CYSS HA      6 CYSS HB2     3.50 #I=59             3.57
  6 CYSS HA     18 CYSS HB2     3.50 #I=11.9           2.77
  6 CYSS HA     18 CYSS HB3     3.50 #I=12             2.62
  6 CYSS HA      6 CYSS HB3     3.50 #I=34             2.38
  6 CYSS HA      7 GLN  HG2     4.50 #I=8              2.24
  6 CYSS HB2     6 CYSS HN      4.50 #I=5.6            8.21
  6 CYSS HB2     6 CYSS HA      3.50 #I=12             4.87
  6 CYSS HB2    18 CYSS HB2     5.00 #I=6.7            2.77
  6 CYSS HB2    10 GLU- HB3     5.00 #I=8.7            1.57  
#### GLN 7 ####
  7 GLN  HA      7 GLN  HN      3.00 #I=17.5           8.62
  7 GLN  HA      7 GLN  HG2     3.50 #I=12.5           2.31
  7 GLN  HA      7 GLN  HG3     3.50 #I=18.3           2.24
  7 GLN  HA      7 GLN  HB2     3.50 #I=32.9           2.06
  7 GLN  HA      7 GLN  HB3     3.50 #I=22.6           1.39
  7 GLN  HG2     7 GLN  HN      4.00 #I=12.4           8.63
  7 GLN  HG2     6 CYSS HA      5.50 #I=3.9            4.89
  7 GLN  HG2     7 GLN  HA      3.50 #I=11.1           4.34
#### GLY 9 ####
  9 GLY  HA2    10 GLU- HN      4.00 #I=9              7.81 
#### GLU 10 ####
 10 GLU- HA     10 GLU- HN      3.00 #I=15             7.82
 10 GLU- HA     20 GLN  HA      3.50 #I=35             3.95 + 0.5 A
 10 GLU- HA     21 GLU- HA      4.00 #I=5.8            3.64
 10 GLU- HA     10 GLU- HB2     3.50 #I=15             2.35
 10 GLU- HA     10 GLU- HG2     3.50 #I=22             1.89
 10 GLU- HA     10 GLU- HG3     4.00 #I=41             1.65 + 0.5A
 10 GLU- HA     10 GLU- HB3     3.50 #I=25             1.58
 10 GLU- HB2     7 GLN  HN      5.50 #I=10.8           8.63
 10 GLU- HB2    10 GLU- HA      3.50 #I=10.4           4.87
 10 GLU- HB2     6 CYSS HB2     3.50 #I=23.2           3.56
 10 GLU- HB2    18 CYSS HB2     5.00 #I=7.8            2.75
 10 GLU- HG2     7 GLN  HN      5.50 #I=2.8            8.63
 10 GLU- HG2    10 GLU- HA      3.50 #I=13             4.84
 10 GLU- HG2     9 GLY  HA1     5.50 #I=1              4.13
 10 GLU- HG2    20 GLN  HA      4.50 #I=5.2            3.96
 10 GLU- HG2     9 GLY  HA2     5.50 #I=3              3.59
 10 GLU- HG2    10 GLU- HB2     4.00 #I=15.2           2.33
 10 GLU- HG2     7 GLN  HB2     5.00 #I=6              1.38
 10 GLU- HG3    11 PHE  HN      5.00 #I=4.7            9.38
 10 GLU- HG3     7 GLN  HN      5.50 #I=2              8.63
 10 GLU- HG3    10 GLU- HN      4.50 #I=6.9            7.84
 10 GLU- HG3    10 GLU- HA      4.00 #I=22.1           4.84 + 0.5 A
 10 GLU- HG3     9 GLY  HA1     6.00 #I=1              4.13
 10 GLU- HG3    20 GLN  HA      4.50 #I=5.2            3.96
 10 GLU- HG3     9 GLY  HA2     5.50 #I=3              3.59
 10 GLU- HG3    18 CYSS HB2     5.50 #I=4.2            2.75
 10 GLU- HG3    10 GLU- HB2     4.00 #I=15.2           2.33
 10 GLU- HG3     7 GLN  HB2     5.00 #I=6              1.38
#### PHE 11 ####
 11 PHE  HA     12 ALA  HN      3.00 #I=79             7.40
 11 PHE  HA     11 PHE  HB2     3.50 #I=37             2.68
 11 PHE  HA     11 PHE  HB3     3.50 #I=49             2.50
 11 PHE  HA     12 ALA  QB      5.50 #I=9              0.83
 11 PHE  HB2    19 ILE  HN      5.50 #I=3.4            8.69
 11 PHE  HB2    21 GLU- HN      5.50 #I=2.3            8.20
 11 PHE  HB2    11 PHE  HZ      6.00 #I=2.3            7.90
 11 PHE  HB2    12 ALA  HN      4.50 #I=7.4            7.39
 11 PHE  HB2    11 PHE  HD1     4.00 #I=13             7.17
 11 PHE  HB2    11 PHE  HD2     4.00 #I=18             7.02
 11 PHE  HB2    11 PHE  QE      5.00 #I=10.3           6.90
 11 PHE  HB2    10 GLU- HA      5.50 #I=3              4.84
 11 PHE  HB2    11 PHE  HA      3.50 #I=35.4           4.52
 11 PHE  HB2    21 GLU- HA      3.50 #I=25             3.65
 11 PHE  HB3    21 GLU- HN      5.50 #I=3.6            8.20
 11 PHE  HB3    11 PHE  HZ      6.00 #I=2.3            7.90
 11 PHE  HB3    12 ALA  HN      5.50 #I=2.6            7.39
 11 PHE  HB3    11 PHE  HD1     5.00 #I=9.6            7.17
 11 PHE  HB3    11 PHE  HD2     4.00 #I=13.6           7.02
 11 PHE  HB3    11 PHE  QE      6.00 #I=7.9            6.90
 11 PHE  HB3    10 GLU- HA      5.50 #I=3              4.84
 11 PHE  HB3    11 PHE  HA      3.50 #I=28.8           4.52
 11 PHE  HB3    21 GLU- HA      3.50 #I=14             3.65
#### ALA 12 ####
 12 ALA  HA     18 CYSS HA      3.00 #I=27             5.46
 12 ALA  HA     12 ALA  QB      4.50 #I=75             0.86
 12 ALA  QB     13 CYSS HN      4.50 #I=11.4           8.43
 12 ALA  QB      6 CYSS HN      6.50 #I=3.8            8.21
 12 ALA  QB     18 CYSS HA      5.50 #I=5.3            5.46
 12 ALA  QB     12 ALA  HA      4.50 #I=54             4.53
#### CYSS 13 ####
 13 CYSS HB2    36 ASP- HN      5.50 #I=3              9.97
 13 CYSS HB2    14 ALA  HN      4.50 #I=9              9.16
 13 CYSS HB2    35 SER  HN      6.00 #I=2              9.02
 13 CYSS HB2    31 CYSS HN      5.50 #I=3.4            8.74
 13 CYSS HB2    12 ALA  HA      4.50 #I=4.8            4.51
 13 CYSS HB2    13 CYSS HA      3.50 #I=16             4.33
 13 CYSS HB2    31 CYSS HB2     4.00 #I=29.6           3.43
 13 CYSS HB2    17 ARG  QB      5.00 #I=16.6           1.78
 13 CYSS HB2    17 ARG  QG      7.00 #I=3              1.39
 13 CYSS HB2    12 ALA  QB      7.00 #I=2.5            0.83
#### Ala 14 ####
 14 ALA  HA     16 SER  HN      4.00 #I=5.6            7.65
 14 ALA  HA     14 ALA  QB      4.50 #I=83             1.42
#### Asn 15 ####
 15 ASN  HA     15 ASN  HB2     3.50 #I=69             3.15
 15 ASN  HA     15 ASN  HB3     3.50 #I=69             2.68
 15 ASN  HB2    15 ASN  HA      3.50 #I=47.7           4.42
 15 ASN  HB3    15 ASN  HA      3.50 #I=41             4.42
 15 ASN  HB3    13 CYSS HB3     4.00 #I=14.4           2.95
 15 ASN  HB3    31 CYSS HB2     5.50 #I=6              2.44 + 0.5
 15 ASN  HB3    14 ALA  QB      7.00 #I=3.4            1.40
#### Arg 17 ####
 17 ARG  HA     18 CYSS HA      5.00 #I=3              5.47
 17 ARG  HA     18 CYSS HB3     4.50 #I=5              2.62
 17 ARG  HA     17 ARG  QB      4.50 #I=71             1.76
 17 ARG  HA     17 ARG  QG      4.50 #I=45             1.39
#### Cyss 18 ####
 18 CYSS HA     11 PHE  HN      5.00 #I=3              9.40
 18 CYSS HA     18 CYSS HN      3.00 #I=15             8.41
 18 CYSS HA     12 ALA  HA      3.00 #I=15             4.54
 18 CYSS HA     17 ARG  HA      5.00 #I=2.5            4.09
 18 CYSS HA      6 CYSS HB2     5.50 #I=2              3.57
 18 CYSS HA     18 CYSS HB2     3.50 #I=26             2.75
 18 CYSS HA     18 CYSS HB3     3.50 #I=16             2.61
 18 CYSS HA      6 CYSS HB3     5.50 #I=2.4            2.37
 18 CYSS HA     17 ARG  QB      6.50 #I=1.7            1.76
 18 CYSS HA     10 GLU- HB3     5.50 #I=3.5            1.57
 18 CYSS HA     17 ARG  QG      6.50 #I=3.5            1.44
 18 CYSS HA     19 ILE  HG13    5.50 #I=3.5            1.22
 18 CYSS HA     19 ILE  QD1     5.50 #I=7              0.82
 18 CYSS HB2    19 ILE  HN      4.50 #I=8.7            8.68
 18 CYSS HB2    18 CYSS HA      3.50 #I=25.7           5.45
 18 CYSS HB2    19 ILE  HA      5.50 #I=3.4            5.00
 18 CYSS HB2    12 ALA  HA      5.50 #I=2              4.53
 18 CYSS HB2    17 ARG  HA      5.50 #I=2.3            4.06
 18 CYSS HB2     6 CYSS HB2     4.00 #I=11             3.57
 18 CYSS HB2     6 CYSS HB3     5.00 #I=10             2.36
 18 CYSS HB2    10 GLU- HB3     4.50 #I=15             1.55 + 0.5 A
 18 CYSS HB2    19 ILE  QD1     7.00 #I=3.2            0.81
#### ILE 19 ####
 19 ILE  HA     19 ILE  HB      3.50 #I=67.2           2.07
 19 ILE  HA     19 ILE  HG12    4.50 #I=7.1            1.47
 19 ILE  HA     19 ILE  HG13    4.50 #I=5.5            1.22
 19 ILE  HA     19 ILE  QD1     4.50 #I=61.4           0.81
 19 ILE  HB     20 GLN  HN      3.50 #I=27.5           7.85
 19 ILE  HB     23 TRP  HD1     5.00 #I=5.5            7.00
 19 ILE  HB     23 TRP  HZ2     6.00 #I=3              6.83
 19 ILE  HB     19 ILE  HA      3.50 #I=47             4.98
 19 ILE  HB     19 ILE  HG12    4.00 #I=20             1.47
 19 ILE  HB     19 ILE  HG13    4.00 #I=10.6           1.22
 19 ILE  HB     19 ILE  QD1     5.00 #I=53             0.81
 19 ILE  HG12   11 PHE  HN      4.50 #I=6.5            9.38
 19 ILE  HG12   19 ILE  HN      4.50 #I=10.6           8.69
 19 ILE  HG12   20 GLN  HN      5.50 #I=2.7            7.84
 19 ILE  HG12   12 ALA  HN      5.50 #I=1.9            7.39
 19 ILE  HG12   11 PHE  HD1     6.00 #I=3.6            7.17
 19 ILE  HG12   11 PHE  HD2     5.00 #I=4.8            7.02
 19 ILE  HG12   19 ILE  HA      5.50 #I=3.9            4.99
 19 ILE  HG12   11 PHE  HB2     5.00 #I=8              2.71
 19 ILE  HG12   11 PHE  HB3     4.00 #I=20.4           2.54
 19 ILE  HG12   19 ILE  HB      4.00 #I=13.2           2.08
#### 20 GLN ####
 20 GLN  HA     11 PHE  HN      4.00 #I=5              9.39
 20 GLN  HA     10 GLU- HA      3.50 #I=30             4.84 + 0.5 A
 20 GLN  HA     20 GLN  QG      4.00 #I=33             2.01
 20 GLN  HA     10 GLU- HB2     4.50 #I=9              1.87
 20 GLN  HA     20 GLN  HB2     3.50 #I=50             1.68
 20 GLN  HA     20 GLN  HB3     3.50 #I=17             0.92
 20 GLN  QG     21 GLU- HN      5.50 #I=6.3            8.19
 20 GLN  QG     11 PHE  HD2     6.00 #I=1.9            7.00
 20 GLN  QG     19 ILE  HA      5.50 #I=5              4.99
 20 GLN  QG     20 GLN  HA      4.50 #I=24.4           3.96
#### GLU-21 ####
 21 GLU- HA     11 PHE  HN      4.00 #I=10             9.40
 21 GLU- HA     21 GLU- HN      3.00 #I=35             8.20
 21 GLU- HA     22 ARG  HN      3.50 #I=15             7.92   + 0.5 A!
 21 GLU- HA     23 TRP  HN      4.00 #I=9.6            7.31
 21 GLU- HA     10 GLU- HA      4.00 #I=6.8            4.86
 21 GLU- HA     11 PHE  HA      5.00 #I=3.3            4.54
 21 GLU- HA     11 PHE  HB2     3.50 #I=40             2.71
 21 GLU- HA     11 PHE  HB3     3.50 #I=21             2.52
 21 GLU- HA     21 GLU- HG2     3.50 #I=10             2.14
 21 GLU- HA     21 GLU- HG3     3.50 #I=12             1.96
 21 GLU- HA     21 GLU- HB2     3.50 #I=41             1.82
 21 GLU- HA     21 GLU- HB3     3.50 #I=35             1.67
 21 GLU- HA     24 LYS  HD3     3.50 #I=16             1.42
 21 GLU- HA     24 LYS  HB3     4.50 #I=9.7            1.28
 21 GLU- HA     24 LYS  HG2     3.75 #I=17             0.86 + 0.25 A
#### ARG 22 ####
 22 ARG  HA     23 TRP  HA      5.00 #I=3.6            5.14
 22 ARG  HA     22 ARG  HD3     4.50 #I=6              2.66
 22 ARG  HA     20 GLN  QG      5.50 #I=9              2.00
 22 ARG  HA     22 ARG  HB2     3.50 #I=72             1.53
 22 ARG  HA     22 ARG  HB3     3.50 #I=62             1.34
 22 ARG  HA     22 ARG  HG2     3.50 #I=12             0.85
 22 ARG  HA     22 ARG  HG3     4.50 #I=9              0.37
 22 ARG  HB2    22 ARG  HN      3.50 #I=10.9           7.93
 22 ARG  HB2    23 TRP  HD1     6.00 #I=2.5            7.30
 22 ARG  HB2    22 ARG  HA      3.50 #I=22.2           4.00
 22 ARG  HB2    22 ARG  HD3     4.00 #I=10.3           2.67
 22 ARG  HB2    22 ARG  HG2     5.00 #I=9.3            0.80
 22 ARG  HB2    22 ARG  HG3     5.00 #I=9.3            0.37
 22 ARG  HG3    23 TRP  HD1     5.50 #I=2.5            7.30
 22 ARG  HG3    23 TRP  HD1     6.00 #I=2              6.99
 22 ARG  HG3    23 TRP  HA      5.50 #I=1.7            5.15
 22 ARG  HG3    22 ARG  HA      5.50 #I=1.7            4.02
 22 ARG  HG3    22 ARG  HG2     5.00 #I=7              2.66
 22 ARG  HG3    22 ARG  HB2     5.00 #I=6.5            1.53
 22 ARG  HG3    22 ARG  HB3     5.00 #I=5.9            1.33
 22 ARG  HD2    22 ARG  HN      5.50 #I=2.8            7.95
 22 ARG  HD2    22 ARG  HA      5.50 #I=2.8            3.99
 22 ARG  HD2    22 ARG  HB2     4.00 #I=16             1.54
 22 ARG  HD2    22 ARG  HB3     4.00 #I=16             1.34
 22 ARG  HD2    22 ARG  HG2     4.00 #I=24             0.81
 22 ARG  HD2    22 ARG  HG3     4.00 #I=16             0.38
#### TRP 23 ####
 23 TRP  HA     23 TRP  HE1     5.50 #I=2              9.82
 23 TRP  HA     23 TRP  HD1     3.50 #I=11.6           6.98
 23 TRP  HA     23 TRP  HB2     3.50 #I=27             3.74
 23 TRP  HA     23 TRP  HB3     3.50 #I=17             2.96
 23 TRP  HA     26 ASP- HB3     4.50 #I=9.2            2.31
 23 TRP  HA     22 ARG  HG2     4.50 #I=4.8            0.83
 23 TRP  HA     22 ARG  HB3     5.50 #I=3              0.35
 23 TRP  HA     23 TRP  HB2     3.50 #I=27             3.74
 23 TRP  HB2    24 LYS  HN      5.50 #I=2.1            7.88
 23 TRP  HB2    23 TRP  HN      4.50 #I=6.4            7.30
 23 TRP  HB2    23 TRP  HD1     6.00 #I=3              6.99
 23 TRP  HB2    23 TRP  HA      3.50 #I=15             5.13
 23 TRP  HB2    22 ARG  HG2     5.00 #I=9.5            0.86
 23 TRP  HB3    23 TRP  HN      3.50 #I=11.1           7.30
 23 TRP  HB3    23 TRP  HD1     6.00 #I=3.7            6.99
 23 TRP  HB3    23 TRP  HA      3.50 #I=11             5.13
 23 TRP  HB3    22 ARG  HG2     5.00 #I=15             0.86
#### LYS 24 ####
 24 LYS  HA     26 ASP- HN      4.00 #I=6              9.95
 24 LYS  HA     25 CYSS HA      4.50 #I=11 ?           4.51 + 0.5A
 24 LYS  HA     24 LYS  HB2     3.50 #I=23             1.58
 24 LYS  HA     24 LYS  HB3     3.50 #I=24             1.28
 24 LYS  HA     24 LYS  HG2     3.50 #I=22             0.87
 24 LYS  HA     24 LYS  HG3     3.50 #I=15             0.73
 24 LYS  HB3    25 CYSS HN      5.50 #I=2.3            8.97
 24 LYS  HB3    24 LYS  HN      3.50 #I=14.5           7.90
 24 LYS  HB3    24 LYS  HA      4.50 #I=8.7            3.90
 24 LYS  HB3    21 GLU- HA      5.50 #I=3.5            3.65
 24 LYS  HB3    24 LYS  HE2     5.00 #I=4.8            2.71
 24 LYS  HB3    24 LYS  HE3     6.00 #I=2.0            2.55
 24 LYS  HB3    24 LYS  HG2     5.00 #I=7.5            0.87
 24 LYS  HE3    24 LYS  HA      5.50 #I=2.5            3.90
#### CYSS 25 ####
 25 CYSS HB2    25 CYSS HN      4.50 #I=4.3            8.97
 25 CYSS HB2    42 CYSS HB2     5.00 #I=4.7            2.26
#### ASP-26 ####
 26 ASP- HA     26 ASP- HB2     3.50 #I=89             3.04
 26 ASP- HA     25 CYSS HB2     4.50 #I=11.8           2.82
 26 ASP- HA     26 ASP- HB3     3.50 #I=62             2.34
 26 ASP- HB2    26 ASP- HN      4.50 #I=5              9.96
 26 ASP- HB2    23 TRP  HA      4.50 #I=5              5.13
 26 ASP- HB2    26 ASP- HA      3.50 #I=44.7           4.75
 26 ASP- HB2    37 GLU- HG3     6.50 #I=3.3            1.70 + 0.5 A
 26 ASP- HB3    23 TRP  HA      3.50 #I=10.4           5.13
 26 ASP- HB3    26 ASP- HA      3.50 #I=41.7           4.75
#### GLY 27 ####
 27 GLY  HA2    28 ASP- HN      4.00 #I=9              7.64
#### ASP-28 ####
 28 ASP- HA     28 ASP- HB2     3.50 #I=21             2.91
 28 ASP- HA     28 ASP- HB3     3.50 #I=46             2.38
#### ASN 29 ####
 29 ASN  HB2    28 ASP- HA       5.50 #I=3.4            4.84
 29 ASN  HB2    29 ASN  HA       3.50 #I=16.8           4.65
 29 ASN  HB2    31 CYSS HA       6.20 #I=2.1            4.27 + 0.7 A
 29 ASN  HB2    32 LEU  HB2      5.00 #I=7.9            2.24
 29 ASN  HB3    28 ASP- HA       5.50 #I=2.6            4.84
 29 ASN  HB3    29 ASN  HA       3.50 #I=21.9           4.65
 29 ASN  HB3    31 CYSS HA       6.20 #I=3.8            4.27 + 0.7 A
 29 ASN  HB3    32 LEU  HA       5.50 #I=2.3            3.60
#### ASP-30 ####
 30 ASP- HB3    31 CYSS HN      4.50 #I=4              8.73
 30 ASP- HB3    28 ASP- HN      5.50 #I=2.5            7.63
 30 ASP- HB3    37 GLU- HN      6.20 #I=1.5            7.18 + 0.7 A
 30 ASP- HB3    30 ASP- HA      3.50 #I=22.8           4.55
 30 ASP- HB3    26 ASP- HB2     6.50 #I=3.7            3.09 + 0.5 A
 30 ASP- HB3    28 ASP- HB3     6.00 #I=3.5            2.06
#### CYSS 31 ####
 31 CYSS HA     31 CYSS HN      3.50 #I=8.4            8.03
 31 CYSS HA     31 CYSS HB2     3.50 #I=16             3.10
#### LEU 32 ####
 32 LEU  HA     32 LEU  HN      3.00 #I=30.1           7.40
 32 LEU  HA     32 LEU  HB2     3.50 #I=11             2.23
 32 LEU  HA     32 LEU  HB3     3.50 #I=30.1           1.39
 32 LEU  HB2    32 LEU  HA      4.50 #I=4.5            3.60
 32 LEU  HB2    32 LEU  QQD     6.90 #I=9.5            0.72
 32 LEU  HB3    32 LEU  HA      3.00 #I=10.7           3.60
 32 LEU  HB3    15 ASN  HB3     5.00 #I=5.5            2.69
 32 LEU  HB3    32 LEU  QQD     5.90 #I=17.3           0.72
 32 LEU  QQD    32 LEU  HB2     5.90 #I=33             2.24
 32 LEU  QQD    32 LEU  HA      6.90 #I=6              3.60
#### ASP-33 ####
 33 ASP- HB3    15 ASN  HN      3.50 #I=12.4           7.52
 33 ASP- HB3    32 LEU  HG      4.00 #I=6              1.43
#### ASN 34 ####
 34 ASN  HA     36 ASP- HN      4.00 #I=7.3            9.92
 34 ASN  HA     35 SER  HN      4.00 #I=6.4            9.00
 34 ASN  HA     34 ASN  HN      3.00 #I=48             8.62
 34 ASN  HA     33 ASP- HN      4.25 #I=4.6            7.32 + 0.25 A
 34 ASN  HA     37 GLU- HN      4.00 #I=5.3            7.13
 34 ASN  HA     38 ALA  HN      5.00 #I=3              6.58
 34 ASN  HA     31 CYSS HB2     4.50 #I=7.2            3.46
 34 ASN  HA     31 CYSS HB3     4.50 #I=5              3.19
 34 ASN  HA     34 ASN  HB2     3.50 #I=19.4           3.00
 34 ASN  HA     34 ASN  HB3     3.50 #I=19.2           2.33
 34 ASN  HA     38 ALA  QB      5.50 #I=4.4            1.38
#### SER 35 ####
 35 SER  HA     35 SER  HN      4.00 #I=6.3            9.00
 35 SER  HB2    35 SER  HA      3.50 #I=71.5           4.29
 35 SER  HB2    35 SER  HN      3.50 #I=12.5           9.00
 35 SER  HB3    35 SER  HA      3.50 #I=45.5           4.29
 35 SER  HB3    35 SER  HN      3.50 #I=6.0            9.00
 35 SER  HB3    38 ALA  QB      5.50 #I=8.4            1.40
#### Asp 36 ####
 36 ASP- HA     35 SER  HN      4.75 #I=4.5            8.97 + 0.75 A
 36 ASP- HA     38 ALA  HN      5.00 #I=4.7            6.60
 36 ASP- HA     36 ASP- HB2     3.50 #I=49             2.82
 36 ASP- HA     36 ASP- HB3     3.50 #I=47             2.37
 36 ASP- HA     41 LEU  HB3     5.50 #I=2.5            1.53
 36 ASP- HA     38 ALA  QB      5.50 #I=4.5            1.42
 36 ASP- HA     24 LYS  HG2     4.00 #I=12             0.88 + 0.5 A
 36 ASP- HA     41 LEU  QD2     4.50 #I=27             0.69
 36 ASP- HB2    36 ASP- HN      3.50 #I=10.4           9.93
 36 ASP- HB2    35 SER  HN      5.50 #I=4.6            9.00
 36 ASP- HB2    37 GLU- HN      4.50 #I=9.4            7.17
 36 ASP- HB2    25 CYSS HA      4.50 #I=6.5            4.51
 36 ASP- HB2    36 ASP- HA      3.50 #I=46.9           3.90
 36 ASP- HB2    41 LEU  QD1     5.00 #I=26.7           0.83
 36 ASP- HB2    41 LEU  QD2     7.00 #I=2.4            0.70
 36 ASP- HB3    36 ASP- HA      3.50 #I=55.9           3.90
#### GLU-37 ####
 37 GLU- HG2    36 ASP- HN      5.50 #I=2.3            9.93
 37 GLU- HG2    37 GLU- HN      4.50 #I=6.6            7.17
 37 GLU- HG2    38 ALA  HN      5.50 #I=1.9            6.60
 37 GLU- HG2    37 GLU- HA      3.50 #I=12             4.65
 37 GLU- HG2    35 SER  HA      6.20 #I=3.2            4.28 + 0.7 A
 37 GLU- HB2    37 GLU- HA      3.50 #I=29             4.59
#### ALA 38 ####
 38 ALA  HA     38 ALA  HN      3.00 #I=36             6.60
 38 ALA  HA     39 PRO  QD      4.00 #I=139            3.81
 38 ALA  HA     38 ALA  QB      4.50 #I=92             1.38
#### PRO 39 ####
 39 PRO  HD3    40 ALA  HN      4.50 #I=7              8.26
 39 PRO  HD3    38 ALA  HN      5.50 #I=3.6            6.60
 39 PRO  HD3    38 ALA  QB      5.00 #I=22.5           1.38
#### Ala 40 ####
 40 ALA  HA     41 LEU  HN      4.00 #I=8.5            7.11
 40 ALA  HA     40 ALA  QB      4.50 #I=115            1.25
 40 ALA  QB     40 ALA  HN      4.50 #I=56.1           8.24
 40 ALA  QB     41 LEU  HN      4.50 #I=11.9           7.10
 40 ALA  QB     40 ALA  HA      4.50 #I=65.6           4
#### LEU 41 ####
 41 LEU  HB2    38 ALA  HN      5.50 #I=3              6.60
 41 LEU  HB2    41 LEU  HA      3.50 #I=12.6           4.18
 41 LEU  HB2    41 LEU  HB3     3.00 #I=108.2          1.51
 41 LEU  HB2    41 LEU  HG      3.30 #I=19.1           1.22
 41 LEU  HB2    41 LEU  QD1     5.00 #I=10.1           0.91
 41 LEU  HB2    41 LEU  QD2     5.00 #I=23.9           0.66
 41 LEU  HB3    42 CYSS HN      3.50 #I=7              7.76
 41 LEU  HB3    38 ALA  HN      5.50 #I=1.3            6.60
 41 LEU  HB3    41 LEU  HA      3.50 #I=25.2           4.18
 41 LEU  HB3    41 LEU  HB2     3.00 #I=108.2          1.96
 41 LEU  HB3    41 LEU  HG      3.30 #I=28.9           1.22
 41 LEU  HB3    41 LEU  QD1     5.00 #I=19.7           0.91
 41 LEU  HB3    41 LEU  QD2     5.00 #I=22.1           0.66
 41 LEU  HG     41 LEU  HN      5.50 #I=2.8            7.10
 41 LEU  HG     42 CYSS HA      5.50 #I=2.4            4.65
 41 LEU  HG     41 LEU  HA      5.50 #I=3.0            4.16
 41 LEU  QD1    41 LEU  HA      4.50 #I=60.4           4.19
 41 LEU  QD1    24 LYS  HA      5.50 #I=4.4            3.91
 41 LEU  QD1    11 PHE  HB2     6.00 #I=7.4            2.69
 41 LEU  QD1    11 PHE  HB3     5.00 #I=14.3           2.55
 41 LEU  QD1    41 LEU  HB2     5.00 #I=17.7           1.96
 41 LEU  QD1    41 LEU  HB3     5.00 #I=44             1.49
 41 LEU  QD1    41 LEU  HG      5.00 #I=64             1.22
 41 LEU  QD2    38 ALA  HN      5.50 #I=5.5            6.60
 41 LEU  QD2    42 CYSS HA      5.50 #I=4.7            4.65
 41 LEU  QD2    43 HIS  HA      6.50 #I=2.7            4.50
 41 LEU  QD2    41 LEU  HA      5.50 #I=4.9            4.19
 41 LEU  QD2    24 LYS  HA      4.50 #I=14.4           3.91
 41 LEU  QD2    11 PHE  HB2     7.00 #I=1.7            2.69
 41 LEU  QD2    11 PHE  HB3     6.00 #I=5.2            2.55
 41 LEU  QD2    41 LEU  HB2     5.00 #I=21.5           1.96
 41 LEU  QD2    41 LEU  HB3     5.00 #I=20             1.49
 41 LEU  QD2    41 LEU  HG      6.00 #I=6.4            1.22
#### CYSS 42 ####
 42 CYSS HB2    42 CYSS HN      3.50 #I=16.8           7.76
 42 CYSS HB2    41 LEU  HN      5.50 #I=2.1            7.08
 42 CYSS HB2    42 CYSS HA      3.50 #I=11.1           4.61
 42 CYSS HB2    25 CYSS HB2     5.00 #I=7.5            3.08
 42 CYSS HB2    25 CYSS HB3     6.00 #I=3.8            2.80
 42 CYSS HB3    42 CYSS HN      3.50 #I=11.3           7.76
 42 CYSS HB3    42 CYSS HA      3.50 #I=25.1           4.61
 42 CYSS HB3    25 CYSS HB2     5.00 #I=7.5            3.08
 42 CYSS HB3    25 CYSS HB3     5.00 #I=11.3           2.80
#### Ca - binding ####
 23 TRP  O      26 ASP- OD1     4.00
 23 TRP  O      36 ASP- OD1     4.00
 23 TRP  O      28 ASP- O       5.00
 23 TRP  O      30 ASP- OD1     4.00
 23 TRP  O      37 GLU- OE1     4.00
 28 ASP- O      26 ASP- OD1     4.00
 28 ASP- O      36 ASP- OD1     4.00
 28 ASP- O      30 ASP- OD1     4.00
 28 ASP- O      37 GLU- OE1     4.00

                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1   0.425  -1.272  -1.432
    2   1HA   GLY   1           HA1      GLY   1   2.368  -0.279  -0.359
    3   2HA   GLY   1           HA2      GLY   1   2.897  -0.817  -1.957
    4    H    SER   2           H        SER   2   0.901   1.670  -2.598
    5    HA   SER   2           HA       SER   2   2.854   3.882  -2.129
    6   1HB   SER   2           HB2      SER   2   3.172   2.969  -4.433
    7   2HB   SER   2           HB3      SER   2   1.507   3.452  -4.808
    8    HG   SER   2           HG       SER   2   3.698   5.099  -4.043
    9    HA   PRO   3           HA       PRO   3  -1.439   5.039  -0.925
   10   1HB   PRO   3           HB2      PRO   3  -0.934   6.019   1.563
   11   2HB   PRO   3           HB3      PRO   3  -0.986   4.272   1.201
   12   1HG   PRO   3           HG2      PRO   3   1.443   6.074   1.447
   13   2HG   PRO   3           HG3      PRO   3   1.173   4.465   2.183
   14   1HD   PRO   3           HD2      PRO   3   2.563   4.842  -0.161
   15   2HD   PRO   3           HD3      PRO   3   1.612   3.365   0.175
   16    HA   PRO   4           HA       PRO   4  -0.408   9.380  -2.121
   17   1HB   PRO   4           HB2      PRO   4  -2.770  10.046  -3.352
   18   2HB   PRO   4           HB3      PRO   4  -1.494   9.080  -4.149
   19   1HG   PRO   4           HG2      PRO   4  -4.027   8.083  -2.825
   20   2HG   PRO   4           HG3      PRO   4  -3.305   7.581  -4.379
   21   1HD   PRO   4           HD2      PRO   4  -2.953   6.185  -2.029
   22   2HD   PRO   4           HD3      PRO   4  -1.741   6.233  -3.342
   23    H    GLN   5           H        GLN   5  -3.744   8.726  -1.164
   24    HA   GLN   5           HA       GLN   5  -4.981   9.069   0.633
   25   1HB   GLN   5           HB2      GLN   5  -2.385   9.876   1.977
   26   2HB   GLN   5           HB3      GLN   5  -3.943   9.790   2.784
   27   1HG   GLN   5           HG2      GLN   5  -4.164   7.401   1.965
   28   2HG   GLN   5           HG3      GLN   5  -2.498   7.520   1.403
   29   1HE2  GLN   5          HE21      GLN   5  -2.882   5.481   3.140
   30   2HE2  GLN   5          HE22      GLN   5  -2.375   5.982   4.757
   31    H    CYS   6           H        CYS   6  -3.640  11.823  -0.810
   32    HA   CYS   6           HA       CYS   6  -6.197  13.131  -0.569
   33   1HB   CYS   6           HB2      CYS   6  -4.947  13.812   1.635
   34   2HB   CYS   6           HB3      CYS   6  -3.943  14.790   0.606
   35    H    GLN   7           H        GLN   7  -2.823  13.735  -1.114
   36    HA   GLN   7           HA       GLN   7  -3.166  14.209  -3.987
   37   1HB   GLN   7           HB2      GLN   7  -1.113  15.769  -2.384
   38   2HB   GLN   7           HB3      GLN   7  -1.757  16.085  -4.004
   39   1HG   GLN   7           HG2      GLN   7  -4.024  16.551  -2.863
   40   2HG   GLN   7           HG3      GLN   7  -3.150  16.537  -1.342
   41   1HE2  GLN   7          HE21      GLN   7  -2.053  18.376  -0.633
   42   2HE2  GLN   7          HE22      GLN   7  -1.988  19.804  -1.712
   43    HA   PRO   8           HA       PRO   8  -0.057  11.073  -3.930
   44   1HB   PRO   8           HB2      PRO   8   2.072  11.597  -5.510
   45   2HB   PRO   8           HB3      PRO   8   0.400  11.559  -6.133
   46   1HG   PRO   8           HG2      PRO   8   1.994  14.001  -5.293
   47   2HG   PRO   8           HG3      PRO   8   1.101  13.739  -6.826
   48   1HD   PRO   8           HD2      PRO   8   0.044  15.075  -4.685
   49   2HD   PRO   8           HD3      PRO   8  -0.980  14.091  -5.779
   50    H    GLY   9           H        GLY   9   0.093  11.795  -1.496
   51   1HA   GLY   9           HA1      GLY   9   2.148  10.791  -0.182
   52   2HA   GLY   9           HA2      GLY   9   2.928  12.294  -0.690
   53    H    GLU  10           H        GLU  10  -0.204  11.413   0.854
   54    HA   GLU  10           HA       GLU  10   0.140  13.705   2.753
   55   1HB   GLU  10           HB2      GLU  10  -2.126  12.916   0.914
   56   2HB   GLU  10           HB3      GLU  10  -2.402  14.061   2.197
   57   1HG   GLU  10           HG2      GLU  10  -0.294  14.448  -0.007
   58   2HG   GLU  10           HG3      GLU  10  -1.941  14.980  -0.093
   59    H    PHE  11           H        PHE  11  -2.496  13.321   4.117
   60    HA   PHE  11           HA       PHE  11  -2.198  10.694   5.292
   61   1HB   PHE  11           HB2      PHE  11  -1.253  12.262   6.719
   62   2HB   PHE  11           HB3      PHE  11  -2.501  13.395   6.528
   63    HD1  PHE  11           HD1      PHE  11  -2.976   9.727   7.431
   64    HD2  PHE  11           HD2      PHE  11  -3.089  13.849   8.682
   65    HE1  PHE  11           HE1      PHE  11  -4.213   9.092   9.464
   66    HE2  PHE  11           HE2      PHE  11  -4.225  13.200  10.766
   67    HZ   PHE  11           HZ       PHE  11  -4.878  10.854  11.123
   68    H    ALA  12           H        ALA  12  -3.745   9.393   5.307
   69    HA   ALA  12           HA       ALA  12  -6.572  10.203   4.934
   70   1HB   ALA  12           HB1      ALA  12  -6.977   7.809   4.574
   71   2HB   ALA  12           HB2      ALA  12  -5.785   8.474   3.452
   72   3HB   ALA  12           HB3      ALA  12  -5.256   7.475   4.837
   73    H    CYS  13           H        CYS  13  -7.654  10.621   6.693
   74    HA   CYS  13           HA       CYS  13  -7.041   9.575   9.389
   75   1HB   CYS  13           HB2      CYS  13  -7.619  11.921   8.995
   76   2HB   CYS  13           HB3      CYS  13  -9.115  11.418   8.219
   77    H    ALA  14           H        ALA  14  -8.100   7.773  10.257
   78    HA   ALA  14           HA       ALA  14 -10.161   6.394   8.877
   79   1HB   ALA  14           HB1      ALA  14  -9.449   6.233  11.821
   80   2HB   ALA  14           HB2      ALA  14 -10.324   5.029  10.867
   81   3HB   ALA  14           HB3      ALA  14  -8.620   5.371  10.508
   82    H    ASN  15           H        ASN  15 -10.611   9.339  10.689
   83    HA   ASN  15           HA       ASN  15 -13.454   8.908  11.173
   84   1HB   ASN  15           HB2      ASN  15 -12.430  10.752  12.330
   85   2HB   ASN  15           HB3      ASN  15 -11.878  11.522  10.856
   86   1HD2  ASN  15          HD21      ASN  15 -14.905  10.473  12.535
   87   2HD2  ASN  15          HD22      ASN  15 -15.817  11.821  11.857
   88    H    SER  16           H        SER  16 -11.563   9.612   8.376
   89    HA   SER  16           HA       SER  16 -12.230   8.556   6.357
   90   1HB   SER  16           HB2      SER  16 -14.836  10.105   6.416
   91   2HB   SER  16           HB3      SER  16 -14.282   8.969   5.172
   92    HG   SER  16           HG       SER  16 -14.898   8.481   7.869
   93    H    ARG  17           H        ARG  17 -10.484  10.385   6.802
   94    HA   ARG  17           HA       ARG  17 -11.219  12.808   5.134
   95   1HB   ARG  17           HB2      ARG  17  -9.514  13.304   7.544
   96   2HB   ARG  17           HB3      ARG  17 -10.501  14.401   6.637
   97   1HG   ARG  17           HG2      ARG  17 -11.622  12.190   8.418
   98   2HG   ARG  17           HG3      ARG  17 -11.366  13.839   8.936
   99   1HD   ARG  17           HD2      ARG  17 -13.089  13.246   6.503
  100   2HD   ARG  17           HD3      ARG  17 -13.750  13.118   8.118
  101    HE   ARG  17           HE       ARG  17 -12.950  15.561   6.700
  102   1HH1  ARG  17          HH11      ARG  17 -13.414  17.555   7.587
  103   2HH1  ARG  17          HH12      ARG  17 -14.008  17.658   9.217
  104   1HH2  ARG  17          HH21      ARG  17 -14.284  15.856  10.477
  105   2HH2  ARG  17          HH22      ARG  17 -13.942  14.267   9.858
  106    H    CYS  18           H        CYS  18  -9.952  13.814   3.746
  107    HA   CYS  18           HA       CYS  18  -7.118  12.907   3.681
  108   1HB   CYS  18           HB2      CYS  18  -6.940  13.084   1.604
  109   2HB   CYS  18           HB3      CYS  18  -8.667  12.780   1.559
  110    H    ILE  19           H        ILE  19  -5.755  14.003   4.673
  111    HA   ILE  19           HA       ILE  19  -5.728  16.960   4.519
  112    HB   ILE  19           HB       ILE  19  -4.983  16.976   6.918
  113   1HG1  ILE  19          HG12      ILE  19  -4.588  14.403   6.918
  114   2HG1  ILE  19          HG13      ILE  19  -5.080  15.223   8.366
  115   1HG2  ILE  19          HG21      ILE  19  -7.871  16.137   6.382
  116   2HG2  ILE  19          HG22      ILE  19  -7.305  16.848   7.884
  117   3HG2  ILE  19          HG23      ILE  19  -7.199  17.779   6.379
  118   1HD1  ILE  19          HD11      ILE  19  -7.049  13.711   6.652
  119   2HD1  ILE  19          HD12      ILE  19  -6.134  13.028   7.997
  120   3HD1  ILE  19          HD13      ILE  19  -7.284  14.351   8.292
  121    H    GLN  20           H        GLN  20  -3.475  17.501   5.520
  122    HA   GLN  20           HA       GLN  20  -1.713  16.075   3.729
  123   1HB   GLN  20           HB2      GLN  20  -0.484  18.243   3.700
  124   2HB   GLN  20           HB3      GLN  20  -2.210  18.477   3.385
  125   1HG   GLN  20           HG2      GLN  20  -2.517  19.060   5.821
  126   2HG   GLN  20           HG3      GLN  20  -0.772  18.927   6.043
  127   1HE2  GLN  20          HE21      GLN  20  -0.838  20.397   3.079
  128   2HE2  GLN  20          HE22      GLN  20  -0.935  22.047   3.714
  129    H    GLU  21           H        GLU  21   0.379  15.710   4.073
  130    HA   GLU  21           HA       GLU  21   0.937  14.043   6.234
  131   1HB   GLU  21           HB2      GLU  21   1.975  13.757   4.141
  132   2HB   GLU  21           HB3      GLU  21   2.675  15.375   4.114
  133   1HG   GLU  21           HG2      GLU  21   4.372  14.824   5.634
  134   2HG   GLU  21           HG3      GLU  21   3.571  13.379   6.206
  135    H    ARG  22           H        ARG  22   1.347  17.517   6.398
  136    HA   ARG  22           HA       ARG  22   3.292  17.826   8.478
  137   1HB   ARG  22           HB2      ARG  22   2.446  19.846   7.694
  138   2HB   ARG  22           HB3      ARG  22   0.808  19.273   7.654
  139   1HG   ARG  22           HG2      ARG  22   1.221  19.240  10.397
  140   2HG   ARG  22           HG3      ARG  22   2.351  20.501   9.916
  141   1HD   ARG  22           HD2      ARG  22   0.610  21.934   9.767
  142   2HD   ARG  22           HD3      ARG  22  -0.205  20.879   8.628
  143    HE   ARG  22           HE       ARG  22  -1.656  20.196  10.321
  144   1HH1  ARG  22          HH11      ARG  22  -2.387  19.415  12.399
  145   2HH1  ARG  22          HH12      ARG  22  -1.233  19.601  13.655
  146   1HH2  ARG  22          HH21      ARG  22   0.571  20.391  13.531
  147   2HH2  ARG  22          HH22      ARG  22   1.288  21.110  12.068
  148    H    TRP  23           H        TRP  23  -0.007  16.550   8.489
  149    HA   TRP  23           HA       TRP  23  -0.402  16.953  11.319
  150   1HB   TRP  23           HB2      TRP  23  -1.905  15.489   9.157
  151   2HB   TRP  23           HB3      TRP  23  -2.527  15.793  10.772
  152    HD1  TRP  23           HD1      TRP  23  -0.863  18.447   8.522
  153    HE1  TRP  23           HE1      TRP  23  -2.496  20.288   7.877
  154    HE3  TRP  23           HE3      TRP  23  -5.117  16.438  10.502
  155    HZ2  TRP  23           HZ2      TRP  23  -5.247  20.866   8.221
  156    HZ3  TRP  23           HZ3      TRP  23  -7.265  17.679  10.267
  157    HH2  TRP  23           HH2      TRP  23  -7.343  19.881   9.164
  158    H    LYS  24           H        LYS  24   1.364  14.543   9.451
  159    HA   LYS  24           HA       LYS  24   0.824  12.296  11.150
  160   1HB   LYS  24           HB2      LYS  24   2.680  12.701   8.753
  161   2HB   LYS  24           HB3      LYS  24   2.419  11.195   9.585
  162   1HG   LYS  24           HG2      LYS  24  -0.095  11.482   9.054
  163   2HG   LYS  24           HG3      LYS  24   0.413  12.786   8.019
  164   1HD   LYS  24           HD2      LYS  24   1.340   9.862   7.770
  165   2HD   LYS  24           HD3      LYS  24   0.063  10.606   6.801
  166   1HE   LYS  24           HE2      LYS  24   1.810  12.345   6.118
  167   2HE   LYS  24           HE3      LYS  24   3.018  11.249   6.775
  168   1HZ   LYS  24           HZ1      LYS  24   2.207   9.586   5.165
  169   2HZ   LYS  24           HZ2      LYS  24   1.119  10.685   4.548
  170   3HZ   LYS  24           HZ3      LYS  24   2.753  10.978   4.453
  171    H    CYS  25           H        CYS  25   1.701  12.406  12.992
  172    HA   CYS  25           HA       CYS  25   3.305  12.420  14.658
  173   1HB   CYS  25           HB2      CYS  25   5.431  13.512  12.808
  174   2HB   CYS  25           HB3      CYS  25   5.651  12.713  14.341
  175    H    ASP  26           H        ASP  26   1.565  14.727  13.780
  176    HA   ASP  26           HA       ASP  26   3.244  17.098  14.456
  177   1HB   ASP  26           HB2      ASP  26   1.796  18.105  13.169
  178   2HB   ASP  26           HB3      ASP  26   0.838  16.699  12.983
  179    H    GLY  27           H        GLY  27   0.970  14.812  15.866
  180   1HA   GLY  27           HA1      GLY  27   0.968  14.223  18.145
  181   2HA   GLY  27           HA2      GLY  27   1.719  15.755  18.589
  182    H    ASP  28           H        ASP  28  -0.852  16.618  16.472
  183    HA   ASP  28           HA       ASP  28  -2.816  16.564  18.695
  184   1HB   ASP  28           HB2      ASP  28  -2.427  18.821  17.776
  185   2HB   ASP  28           HB3      ASP  28  -2.923  18.250  16.175
  186    H    ASN  29           H        ASN  29  -4.780  15.915  18.394
  187    HA   ASN  29           HA       ASN  29  -5.341  13.485  17.129
  188   1HB   ASN  29           HB2      ASN  29  -7.436  15.637  17.551
  189   2HB   ASN  29           HB3      ASN  29  -7.628  13.918  17.570
  190   1HD2  ASN  29          HD21      ASN  29  -5.409  13.215  19.497
  191   2HD2  ASN  29          HD22      ASN  29  -6.010  13.944  20.995
  192    H    ASP  30           H        ASP  30  -5.822  16.757  15.992
  193    HA   ASP  30           HA       ASP  30  -6.098  17.885  14.117
  194   1HB   ASP  30           HB2      ASP  30  -3.991  16.798  14.705
  195   2HB   ASP  30           HB3      ASP  30  -4.253  15.579  13.425
  196    H    CYS  31           H        CYS  31  -6.015  14.636  13.267
  197    HA   CYS  31           HA       CYS  31  -8.062  14.423  11.258
  198   1HB   CYS  31           HB2      CYS  31  -6.412  12.740  11.232
  199   2HB   CYS  31           HB3      CYS  31  -6.389  12.587  12.965
  200    H    LEU  32           H        LEU  32  -8.189  14.803  14.628
  201    HA   LEU  32           HA       LEU  32  -9.895  14.899  16.135
  202   1HB   LEU  32           HB2      LEU  32 -11.856  15.684  15.461
  203   2HB   LEU  32           HB3      LEU  32 -11.189  15.601  13.847
  204    HG   LEU  32           HG       LEU  32 -12.271  13.163  13.809
  205   1HD1  LEU  32          HD11      LEU  32 -14.402  13.084  15.014
  206   2HD1  LEU  32          HD12      LEU  32 -13.083  13.199  16.179
  207   3HD1  LEU  32          HD13      LEU  32 -14.049  14.636  15.806
  208   1HD2  LEU  32          HD21      LEU  32 -12.830  14.981  12.305
  209   2HD2  LEU  32          HD22      LEU  32 -14.307  14.178  12.868
  210   3HD2  LEU  32          HD23      LEU  32 -13.840  15.753  13.557
  211    H    ASP  33           H        ASP  33  -9.813  12.148  13.985
  212    HA   ASP  33           HA       ASP  33 -10.847  10.254  16.031
  213   1HB   ASP  33           HB2      ASP  33 -11.643   9.516  14.053
  214   2HB   ASP  33           HB3      ASP  33 -10.378  10.268  13.102
  215    H    ASN  34           H        ASN  34  -7.958  11.777  15.179
  216    HA   ASN  34           HA       ASN  34  -5.795  11.530  15.661
  217   1HB   ASN  34           HB2      ASN  34  -6.912  11.682  17.936
  218   2HB   ASN  34           HB3      ASN  34  -6.950   9.935  18.027
  219   1HD2  ASN  34          HD21      ASN  34  -4.717   8.904  17.717
  220   2HD2  ASN  34          HD22      ASN  34  -3.433   9.611  18.734
  221    H    SER  35           H        SER  35  -5.790  10.289  13.609
  222    HA   SER  35           HA       SER  35  -5.477   7.373  13.917
  223   1HB   SER  35           HB2      SER  35  -5.991   9.206  11.573
  224   2HB   SER  35           HB3      SER  35  -5.094   7.716  11.297
  225    HG   SER  35           HG       SER  35  -7.743   7.867  12.526
  226    H    ASP  36           H        ASP  36  -3.728  10.292  12.629
  227    HA   ASP  36           HA       ASP  36  -1.361   8.943  12.083
  228   1HB   ASP  36           HB2      ASP  36  -0.351  11.101  12.233
  229   2HB   ASP  36           HB3      ASP  36  -1.685  11.012  11.082
  230    H    GLU  37           H        GLU  37  -2.471  10.790  14.910
  231    HA   GLU  37           HA       GLU  37  -0.164  10.022  16.395
  232   1HB   GLU  37           HB2      GLU  37  -2.426  11.515  17.614
  233   2HB   GLU  37           HB3      GLU  37  -0.692  11.553  17.969
  234   1HG   GLU  37           HG2      GLU  37  -2.093  12.601  15.530
  235   2HG   GLU  37           HG3      GLU  37  -1.389  13.567  16.829
  236    H    ALA  38           H        ALA  38  -2.369   7.801  15.613
  237    HA   ALA  38           HA       ALA  38  -1.702   6.523  18.173
  238   1HB   ALA  38           HB1      ALA  38  -3.639   5.734  15.956
  239   2HB   ALA  38           HB2      ALA  38  -3.254   4.760  17.396
  240   3HB   ALA  38           HB3      ALA  38  -4.076   6.328  17.567
  241    HA   PRO  39           HA       PRO  39   1.828   5.309  15.784
  242   1HB   PRO  39           HB2      PRO  39   2.926   3.372  17.363
  243   2HB   PRO  39           HB3      PRO  39   2.784   5.078  17.869
  244   1HG   PRO  39           HG2      PRO  39   0.866   2.804  18.493
  245   2HG   PRO  39           HG3      PRO  39   1.650   3.933  19.650
  246   1HD   PRO  39           HD2      PRO  39  -0.850   4.396  18.721
  247   2HD   PRO  39           HD3      PRO  39   0.307   5.742  18.935
  248    H    ALA  40           H        ALA  40  -0.733   3.970  15.142
  249    HA   ALA  40           HA       ALA  40   0.114   1.576  13.601
  250   1HB   ALA  40           HB1      ALA  40  -2.397   3.322  13.499
  251   2HB   ALA  40           HB2      ALA  40  -2.105   1.860  12.531
  252   3HB   ALA  40           HB3      ALA  40  -2.263   1.736  14.295
  253    H    LEU  41           H        LEU  41  -0.014   5.084  13.570
  254    HA   LEU  41           HA       LEU  41   1.233   5.157  10.860
  255   1HB   LEU  41           HB2      LEU  41  -1.031   6.146  11.127
  256   2HB   LEU  41           HB3      LEU  41  -0.398   7.240  12.329
  257    HG   LEU  41           HG       LEU  41   0.897   7.130   9.594
  258   1HD1  LEU  41          HD11      LEU  41  -1.486   7.257   9.026
  259   2HD1  LEU  41          HD12      LEU  41  -1.676   8.694  10.041
  260   3HD1  LEU  41          HD13      LEU  41  -0.660   8.764   8.611
  261   1HD2  LEU  41          HD21      LEU  41   0.728   9.767  10.190
  262   2HD2  LEU  41          HD22      LEU  41   0.859   9.091  11.803
  263   3HD2  LEU  41          HD23      LEU  41   2.096   8.719  10.591
  264    H    CYS  42           H        CYS  42   1.155   7.631  13.610
  265    HA   CYS  42           HA       CYS  42   4.040   7.095  13.933
  266   1HB   CYS  42           HB2      CYS  42   3.633   8.897  12.299
  267   2HB   CYS  42           HB3      CYS  42   2.801   9.837  13.545
  268    H    HIS  43           H        HIS  43   1.609   9.360  15.365
  269    HA   HIS  43           HA       HIS  43   1.425  10.243  17.426
  270   1HB   HIS  43           HB2      HIS  43   0.895   7.830  17.979
  271   2HB   HIS  43           HB3      HIS  43   2.534   7.688  18.591
  272    HD1  HIS  43           HD1      HIS  43   1.376  11.094  19.674
  273    HD2  HIS  43           HD2      HIS  43   0.850   7.058  20.834
  274    HE1  HIS  43           HE1      HIS  43   0.439  11.119  22.005
  275    H    GLN  44           H        GLN  44   2.715  11.857  16.908
  276    HA   GLN  44           HA       GLN  44   5.245  12.018  18.488
  277   1HB   GLN  44           HB2      GLN  44   5.169  13.544  16.702
  278   2HB   GLN  44           HB3      GLN  44   3.544  14.114  17.112
  279   1HG   GLN  44           HG2      GLN  44   4.322  15.349  18.989
  280   2HG   GLN  44           HG3      GLN  44   5.842  14.448  19.057
  281   1HE2  GLN  44          HE21      GLN  44   4.139  17.107  17.186
  282   2HE2  GLN  44          HE22      GLN  44   5.711  17.628  16.572
  283    H    HIS  45           H        HIS  45   5.327  12.725  20.570
  284    HA   HIS  45           HA       HIS  45   2.827  13.397  22.049
  285   1HB   HIS  45           HB2      HIS  45   3.360  10.892  22.117
  286   2HB   HIS  45           HB3      HIS  45   4.812  11.301  23.021
  287    HD1  HIS  45           HD1      HIS  45   3.313  13.534  24.895
  288    HD2  HIS  45           HD2      HIS  45   2.113   9.588  24.056
  289    HE1  HIS  45           HE1      HIS  45   1.795  12.778  26.854
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1  -3.564   7.427   6.899
    2   1HA   GLY   1           HA1      GLY   1  -2.544   4.975   7.431
    3   2HA   GLY   1           HA2      GLY   1  -3.990   5.256   6.461
    4    H    SER   2           H        SER   2  -1.286   6.511   5.042
    5    HA   SER   2           HA       SER   2   0.503   5.797   3.807
    6   1HB   SER   2           HB2      SER   2  -0.837   3.114   3.389
    7   2HB   SER   2           HB3      SER   2   0.731   3.597   2.749
    8    HG   SER   2           HG       SER   2   1.518   3.833   4.825
    9    HA   PRO   3           HA       PRO   3  -1.574   5.436  -0.398
   10   1HB   PRO   3           HB2      PRO   3  -4.214   6.075  -0.808
   11   2HB   PRO   3           HB3      PRO   3  -3.652   4.434  -0.363
   12   1HG   PRO   3           HG2      PRO   3  -4.726   6.601   1.460
   13   2HG   PRO   3           HG3      PRO   3  -5.212   4.877   1.390
   14   1HD   PRO   3           HD2      PRO   3  -3.430   5.823   3.197
   15   2HD   PRO   3           HD3      PRO   3  -3.236   4.188   2.486
   16    HA   PRO   4           HA       PRO   4  -1.125   9.828  -1.088
   17   1HB   PRO   4           HB2      PRO   4  -1.269  10.033  -3.790
   18   2HB   PRO   4           HB3      PRO   4  -0.030   9.007  -3.005
   19   1HG   PRO   4           HG2      PRO   4  -2.718   8.100  -4.094
   20   2HG   PRO   4           HG3      PRO   4  -1.090   7.460  -4.501
   21   1HD   PRO   4           HD2      PRO   4  -2.633   6.317  -2.575
   22   2HD   PRO   4           HD3      PRO   4  -0.858   6.438  -2.389
   23    H    GLN   5           H        GLN   5  -3.388   9.530   0.084
   24    HA   GLN   5           HA       GLN   5  -5.805   9.639  -1.251
   25   1HB   GLN   5           HB2      GLN   5  -5.017   9.095   1.197
   26   2HB   GLN   5           HB3      GLN   5  -5.434  10.769   1.539
   27   1HG   GLN   5           HG2      GLN   5  -7.356   9.583   2.135
   28   2HG   GLN   5           HG3      GLN   5  -7.779  10.174   0.528
   29    HE2  GLN   5           HE2      GLN   5  -8.938   7.795   1.941
   30    HE2  GLN   5           HE2      GLN   5  -8.475   6.456   0.881
   31    H    CYS   6           H        CYS   6  -3.793  12.303  -0.644
   32    HA   CYS   6           HA       CYS   6  -5.910  14.281  -1.416
   33   1HB   CYS   6           HB2      CYS   6  -4.369  14.230   0.985
   34   2HB   CYS   6           HB3      CYS   6  -3.686  15.512   0.017
   35    H    GLN   7           H        GLN   7  -2.379  13.756  -1.244
   36    HA   GLN   7           HA       GLN   7  -1.971  14.351  -4.061
   37   1HB   GLN   7           HB2      GLN   7  -0.154  15.695  -2.039
   38   2HB   GLN   7           HB3      GLN   7  -0.375  16.055  -3.741
   39   1HG   GLN   7           HG2      GLN   7  -2.662  16.975  -3.214
   40   2HG   GLN   7           HG3      GLN   7  -2.301  16.762  -1.504
   41    HE2  GLN   7           HE2      GLN   7  -0.688  18.166  -0.428
   42    HE2  GLN   7           HE2      GLN   7  -0.145  19.580  -1.366
   43    HA   PRO   8           HA       PRO   8   0.849  10.981  -3.304
   44   1HB   PRO   8           HB2      PRO   8   2.958  11.259  -4.991
   45   2HB   PRO   8           HB3      PRO   8   1.284  11.013  -5.557
   46   1HG   PRO   8           HG2      PRO   8   2.754  13.651  -5.252
   47   2HG   PRO   8           HG3      PRO   8   1.870  13.042  -6.689
   48   1HD   PRO   8           HD2      PRO   8   0.726  14.725  -4.906
   49   2HD   PRO   8           HD3      PRO   8  -0.228  13.421  -5.670
   50    H    GLY   9           H        GLY   9   0.997  12.008  -1.123
   51   1HA   GLY   9           HA1      GLY   9   3.255  11.357   0.274
   52   2HA   GLY   9           HA2      GLY   9   3.681  12.971  -0.310
   53    H    GLU  10           H        GLU  10   0.590  11.635   0.981
   54    HA   GLU  10           HA       GLU  10   0.488  13.878   2.940
   55   1HB   GLU  10           HB2      GLU  10  -1.589  13.082   0.873
   56   2HB   GLU  10           HB3      GLU  10  -1.919  14.224   2.162
   57   1HG   GLU  10           HG2      GLU  10   0.271  14.628   0.062
   58   2HG   GLU  10           HG3      GLU  10  -1.367  15.211  -0.048
   59    H    PHE  11           H        PHE  11  -2.054  13.467   4.157
   60    HA   PHE  11           HA       PHE  11  -1.751  10.832   5.285
   61   1HB   PHE  11           HB2      PHE  11  -1.029  12.410   6.794
   62   2HB   PHE  11           HB3      PHE  11  -2.364  13.483   6.528
   63    HD1  PHE  11           HD1      PHE  11  -2.498   9.734   7.177
   64    HD2  PHE  11           HD2      PHE  11  -3.200  13.689   8.775
   65    HE1  PHE  11           HE1      PHE  11  -3.845   8.771   9.005
   66    HE2  PHE  11           HE2      PHE  11  -4.524  12.693  10.584
   67    HZ   PHE  11           HZ       PHE  11  -4.902  10.268  10.690
   68    H    ALA  12           H        ALA  12  -3.187   9.454   5.143
   69    HA   ALA  12           HA       ALA  12  -6.008  10.045   4.488
   70   1HB   ALA  12           HB1      ALA  12  -4.607   8.371   3.154
   71   2HB   ALA  12           HB2      ALA  12  -4.579   7.350   4.585
   72   3HB   ALA  12           HB3      ALA  12  -6.130   7.733   3.816
   73    H    CYS  13           H        CYS  13  -7.207  10.374   6.229
   74    HA   CYS  13           HA       CYS  13  -6.727   9.176   8.881
   75   1HB   CYS  13           HB2      CYS  13  -7.393  11.507   8.635
   76   2HB   CYS  13           HB3      CYS  13  -8.816  10.991   7.720
   77    H    ALA  14           H        ALA  14  -7.648   7.253   9.464
   78    HA   ALA  14           HA       ALA  14  -9.550   5.791   8.010
   79   1HB   ALA  14           HB1      ALA  14  -8.008   4.880   9.712
   80   2HB   ALA  14           HB2      ALA  14  -8.935   5.701  10.985
   81   3HB   ALA  14           HB3      ALA  14  -9.693   4.421  10.027
   82    H    ASN  15           H        ASN  15 -10.278   8.610  10.000
   83    HA   ASN  15           HA       ASN  15 -13.097   7.903  10.359
   84   1HB   ASN  15           HB2      ASN  15 -12.039   9.597  11.791
   85   2HB   ASN  15           HB3      ASN  15 -11.788  10.667  10.419
   86    HD2  ASN  15           HD2      ASN  15 -13.422  12.157  10.018
   87    HD2  ASN  15           HD2      ASN  15 -15.044  11.921  10.693
   88    H    SER  16           H        SER  16 -11.185   9.078   7.754
   89    HA   SER  16           HA       SER  16 -11.780   8.327   5.603
   90   1HB   SER  16           HB2      SER  16 -14.445   9.755   5.811
   91   2HB   SER  16           HB3      SER  16 -13.824   8.818   4.440
   92    HG   SER  16           HG       SER  16 -14.480   7.955   7.030
   93    H    ARG  17           H        ARG  17 -10.074  10.077   6.234
   94    HA   ARG  17           HA       ARG  17 -10.749  12.613   4.705
   95   1HB   ARG  17           HB2      ARG  17  -9.059  12.928   7.161
   96   2HB   ARG  17           HB3      ARG  17  -9.931  14.123   6.271
   97   1HG   ARG  17           HG2      ARG  17 -11.263  11.951   7.957
   98   2HG   ARG  17           HG3      ARG  17 -10.868  13.558   8.538
   99   1HD   ARG  17           HD2      ARG  17 -12.702  13.027   6.175
  100   2HD   ARG  17           HD3      ARG  17 -13.261  13.262   7.833
  101    HE   ARG  17           HE       ARG  17 -11.789  15.491   7.494
  102    HH1  ARG  17           HH1      ARG  17 -12.426  17.466   6.657
  103    HH1  ARG  17           HH1      ARG  17 -13.696  17.537   5.475
  104    HH2  ARG  17           HH2      ARG  17 -14.717  15.675   4.751
  105    HH2  ARG  17           HH2      ARG  17 -14.211  14.128   5.376
  106    H    CYS  18           H        CYS  18  -9.477  13.638   3.368
  107    HA   CYS  18           HA       CYS  18  -6.615  12.825   3.408
  108   1HB   CYS  18           HB2      CYS  18  -6.300  13.189   1.341
  109   2HB   CYS  18           HB3      CYS  18  -7.954  12.712   1.171
  110    H    ILE  19           H        ILE  19  -5.343  13.982   4.482
  111    HA   ILE  19           HA       ILE  19  -5.480  16.962   4.423
  112    HB   ILE  19           HB       ILE  19  -4.689  16.877   6.865
  113    HG2  ILE  19           HG2      ILE  19  -7.602  16.236   6.209
  114    HG2  ILE  19           HG2      ILE  19  -7.030  16.837   7.768
  115    HG2  ILE  19           HG2      ILE  19  -6.839  17.835   6.312
  116    HG1  ILE  19           HG1      ILE  19  -4.456  14.287   6.762
  117    HG1  ILE  19           HG1      ILE  19  -4.947  15.082   8.224
  118    HD1  ILE  19           HD1      ILE  19  -6.128  12.991   7.806
  119    HD1  ILE  19           HD1      ILE  19  -7.220  14.371   8.006
  120    HD1  ILE  19           HD1      ILE  19  -6.906  13.697   6.389
  121    H    GLN  20           H        GLN  20  -3.343  17.760   5.239
  122    HA   GLN  20           HA       GLN  20  -1.351  16.429   3.689
  123   1HB   GLN  20           HB2      GLN  20  -0.101  18.598   4.005
  124   2HB   GLN  20           HB3      GLN  20  -1.732  18.809   3.356
  125   1HG   GLN  20           HG2      GLN  20  -2.584  19.466   5.576
  126   2HG   GLN  20           HG3      GLN  20  -1.015  19.102   6.292
  127    HE2  GLN  20           HE2      GLN  20  -0.758  20.871   3.290
  128    HE2  GLN  20           HE2      GLN  20  -0.471  22.404   4.115
  129    H    GLU  21           H        GLU  21   0.663  15.900   4.206
  130    HA   GLU  21           HA       GLU  21   1.056  14.313   6.491
  131   1HB   GLU  21           HB2      GLU  21   2.055  13.849   4.404
  132   2HB   GLU  21           HB3      GLU  21   2.942  15.373   4.360
  133   1HG   GLU  21           HG2      GLU  21   4.560  14.638   5.836
  134   2HG   GLU  21           HG3      GLU  21   3.526  13.463   6.608
  135    H    ARG  22           H        ARG  22   1.596  17.742   6.419
  136    HA   ARG  22           HA       ARG  22   3.433  18.005   8.584
  137   1HB   ARG  22           HB2      ARG  22   2.827  19.920   7.367
  138   2HB   ARG  22           HB3      ARG  22   1.100  19.569   7.430
  139   1HG   ARG  22           HG2      ARG  22   1.045  20.049   9.851
  140   2HG   ARG  22           HG3      ARG  22   2.803  20.368   9.813
  141   1HD   ARG  22           HD2      ARG  22   2.137  22.494   9.542
  142   2HD   ARG  22           HD3      ARG  22   2.103  22.059   7.852
  143    HE   ARG  22           HE       ARG  22  -0.196  22.287   7.820
  144    HH1  ARG  22           HH1      ARG  22  -2.117  23.125   8.637
  145    HH1  ARG  22           HH1      ARG  22  -2.453  23.006  10.344
  146    HH2  ARG  22           HH2      ARG  22  -0.892  22.327  11.787
  147    HH2  ARG  22           HH2      ARG  22   0.658  21.818  11.191
  148    H    TRP  23           H        TRP  23   0.098  16.769   8.523
  149    HA   TRP  23           HA       TRP  23  -0.229  17.138  11.400
  150   1HB   TRP  23           HB2      TRP  23  -2.072  15.978   9.312
  151   2HB   TRP  23           HB3      TRP  23  -2.481  16.567  10.920
  152    HD1  TRP  23           HD1      TRP  23  -0.486  18.957   8.790
  153    HE1  TRP  23           HE1      TRP  23  -1.895  20.794   7.820
  154    HE3  TRP  23           HE3      TRP  23  -5.110  17.106   9.850
  155    HZ2  TRP  23           HZ2      TRP  23  -4.636  21.623   7.874
  156    HZ3  TRP  23           HZ3      TRP  23  -7.110  18.495   9.489
  157    HH2  TRP  23           HH2      TRP  23  -6.902  20.761   8.483
  158    H    LYS  24           H        LYS  24   1.427  14.769   9.528
  159    HA   LYS  24           HA       LYS  24   0.684  12.459  11.117
  160   1HB   LYS  24           HB2      LYS  24   2.862  13.059   9.050
  161   2HB   LYS  24           HB3      LYS  24   2.614  11.498   9.784
  162   1HG   LYS  24           HG2      LYS  24   0.330  11.356   8.784
  163   2HG   LYS  24           HG3      LYS  24   0.525  12.978   8.170
  164   1HD   LYS  24           HD2      LYS  24   1.511  12.252   6.322
  165   2HD   LYS  24           HD3      LYS  24   2.792  11.471   7.249
  166   1HE   LYS  24           HE2      LYS  24   1.650   9.400   7.264
  167   2HE   LYS  24           HE3      LYS  24   0.148  10.125   6.644
  168   1HZ   LYS  24           HZ1      LYS  24   2.591  10.504   5.066
  169   2HZ   LYS  24           HZ2      LYS  24   1.864   9.007   4.990
  170   3HZ   LYS  24           HZ3      LYS  24   1.056  10.382   4.550
  171    H    CYS  25           H        CYS  25   1.319  12.487  13.147
  172    HA   CYS  25           HA       CYS  25   2.276  13.191  15.035
  173   1HB   CYS  25           HB2      CYS  25   4.674  12.834  15.396
  174   2HB   CYS  25           HB3      CYS  25   3.685  11.451  14.966
  175    H    ASP  26           H        ASP  26   1.453  15.347  13.868
  176    HA   ASP  26           HA       ASP  26   3.382  17.315  14.925
  177   1HB   ASP  26           HB2      ASP  26   1.379  18.803  14.879
  178   2HB   ASP  26           HB3      ASP  26   1.699  18.127  13.264
  179    H    GLY  27           H        GLY  27   0.873  14.998  15.977
  180   1HA   GLY  27           HA1      GLY  27   0.853  14.332  18.288
  181   2HA   GLY  27           HA2      GLY  27   1.186  15.983  18.785
  182    H    ASP  28           H        ASP  28  -1.134  16.548  16.387
  183    HA   ASP  28           HA       ASP  28  -3.254  16.410  18.436
  184   1HB   ASP  28           HB2      ASP  28  -2.614  18.577  17.282
  185   2HB   ASP  28           HB3      ASP  28  -3.361  17.915  15.820
  186    H    ASN  29           H        ASN  29  -5.280  15.669  18.088
  187    HA   ASN  29           HA       ASN  29  -5.576  13.428  16.200
  188   1HB   ASN  29           HB2      ASN  29  -8.083  14.022  17.526
  189   2HB   ASN  29           HB3      ASN  29  -7.099  12.607  17.501
  190    HD2  ASN  29           HD2      ASN  29  -5.405  12.396  19.338
  191    HD2  ASN  29           HD2      ASN  29  -5.705  13.430  20.749
  192    H    ASP  30           H        ASP  30  -5.017  15.192  14.641
  193    HA   ASP  30           HA       ASP  30  -6.883  17.038  13.587
  194   1HB   ASP  30           HB2      ASP  30  -5.257  17.247  11.970
  195   2HB   ASP  30           HB3      ASP  30  -4.327  16.612  13.303
  196    H    CYS  31           H        CYS  31  -6.445  13.630  13.231
  197    HA   CYS  31           HA       CYS  31  -8.494  13.168  11.285
  198   1HB   CYS  31           HB2      CYS  31  -6.474  11.866  11.501
  199   2HB   CYS  31           HB3      CYS  31  -6.898  11.387  13.138
  200    H    LEU  32           H        LEU  32  -8.843  13.757  14.620
  201    HA   LEU  32           HA       LEU  32 -10.337  13.374  16.205
  202   1HB   LEU  32           HB2      LEU  32 -12.386  14.021  15.697
  203   2HB   LEU  32           HB3      LEU  32 -11.752  14.179  14.075
  204    HG   LEU  32           HG       LEU  32 -12.663  11.722  13.723
  205    HD1  LEU  32           HD1      LEU  32 -14.717  11.272  14.995
  206    HD1  LEU  32           HD1      LEU  32 -13.345  11.295  16.098
  207    HD1  LEU  32           HD1      LEU  32 -14.427  12.696  16.020
  208    HD2  LEU  32           HD2      LEU  32 -13.492  13.712  12.569
  209    HD2  LEU  32           HD2      LEU  32 -14.845  12.684  13.074
  210    HD2  LEU  32           HD2      LEU  32 -14.465  14.162  13.988
  211    H    ASP  33           H        ASP  33 -10.257  10.751  13.915
  212    HA   ASP  33           HA       ASP  33 -11.030   8.580  15.735
  213   1HB   ASP  33           HB2      ASP  33 -11.477   8.008  13.554
  214   2HB   ASP  33           HB3      ASP  33 -10.182   8.986  12.899
  215    H    ASN  34           H        ASN  34  -8.301  10.473  15.084
  216    HA   ASN  34           HA       ASN  34  -6.174  10.574  15.717
  217   1HB   ASN  34           HB2      ASN  34  -7.288  10.413  17.972
  218   2HB   ASN  34           HB3      ASN  34  -7.065   8.678  17.954
  219    HD2  ASN  34           HD2      ASN  34  -4.751   7.959  17.644
  220    HD2  ASN  34           HD2      ASN  34  -3.537   8.832  18.628
  221    H    SER  35           H        SER  35  -5.607   9.589  13.688
  222    HA   SER  35           HA       SER  35  -4.806   6.727  13.838
  223   1HB   SER  35           HB2      SER  35  -5.773   8.501  11.593
  224   2HB   SER  35           HB3      SER  35  -4.629   7.218  11.228
  225    HG   SER  35           HG       SER  35  -7.259   6.890  12.447
  226    H    ASP  36           H        ASP  36  -3.802   9.832  12.544
  227    HA   ASP  36           HA       ASP  36  -1.086   9.643  12.081
  228   1HB   ASP  36           HB2      ASP  36  -1.332  12.059  13.062
  229   2HB   ASP  36           HB3      ASP  36  -2.105  11.678  11.551
  230    H    GLU  37           H        GLU  37  -2.652  10.707  15.007
  231    HA   GLU  37           HA       GLU  37  -0.276  10.204  16.495
  232   1HB   GLU  37           HB2      GLU  37  -2.816  11.288  17.634
  233   2HB   GLU  37           HB3      GLU  37  -1.133  11.562  18.134
  234   1HG   GLU  37           HG2      GLU  37  -2.406  12.447  15.564
  235   2HG   GLU  37           HG3      GLU  37  -2.099  13.484  16.939
  236    H    ALA  38           H        ALA  38  -2.029   7.697  15.540
  237    HA   ALA  38           HA       ALA  38  -1.428   6.382  18.101
  238   1HB   ALA  38           HB1      ALA  38  -3.724   5.972  17.343
  239   2HB   ALA  38           HB2      ALA  38  -3.157   5.687  15.684
  240   3HB   ALA  38           HB3      ALA  38  -2.749   4.530  16.980
  241    HA   PRO  39           HA       PRO  39   2.254   5.445  15.702
  242   1HB   PRO  39           HB2      PRO  39   3.383   3.434  17.179
  243   2HB   PRO  39           HB3      PRO  39   3.235   5.118  17.752
  244   1HG   PRO  39           HG2      PRO  39   1.343   2.806  18.307
  245   2HG   PRO  39           HG3      PRO  39   2.122   3.904  19.498
  246   1HD   PRO  39           HD2      PRO  39  -0.393   4.362  18.607
  247   2HD   PRO  39           HD3      PRO  39   0.745   5.722  18.855
  248    H    ALA  40           H        ALA  40  -0.262   4.109  14.932
  249    HA   ALA  40           HA       ALA  40   0.669   1.810  13.291
  250   1HB   ALA  40           HB1      ALA  40  -1.599   1.983  12.302
  251   2HB   ALA  40           HB2      ALA  40  -1.692   1.762  14.061
  252   3HB   ALA  40           HB3      ALA  40  -1.964   3.372  13.350
  253    H    LEU  41           H        LEU  41   0.349   5.295  13.462
  254    HA   LEU  41           HA       LEU  41   1.477   5.572  10.740
  255   1HB   LEU  41           HB2      LEU  41  -0.856   6.477  11.164
  256   2HB   LEU  41           HB3      LEU  41  -0.148   7.679  12.229
  257    HG   LEU  41           HG       LEU  41   0.945   7.286   9.433
  258    HD1  LEU  41           HD1      LEU  41  -1.491   7.549   9.171
  259    HD1  LEU  41           HD1      LEU  41  -1.402   9.083  10.057
  260    HD1  LEU  41           HD1      LEU  41  -0.575   8.907   8.503
  261    HD2  LEU  41           HD2      LEU  41   2.272   8.758  10.796
  262    HD2  LEU  41           HD2      LEU  41   1.505   9.600   9.491
  263    HD2  LEU  41           HD2      LEU  41   0.852   9.774  11.140
  264    H    CYS  42           H        CYS  42   1.355   8.012  13.540
  265    HA   CYS  42           HA       CYS  42   4.243   7.364  13.835
  266   1HB   CYS  42           HB2      CYS  42   4.052   9.095  12.102
  267   2HB   CYS  42           HB3      CYS  42   3.198  10.127  13.240
  268    H    HIS  43           H        HIS  43   1.641   9.473  15.252
  269    HA   HIS  43           HA       HIS  43   1.433  10.375  17.333
  270   1HB   HIS  43           HB2      HIS  43   0.892   8.038  17.847
  271   2HB   HIS  43           HB3      HIS  43   2.580   7.675  18.124
  272    HD1  HIS  43           HD1      HIS  43   3.293   7.706  20.559
  273    HD2  HIS  43           HD2      HIS  43  -0.005  10.188  19.739
  274    HE1  HIS  43           HE1      HIS  43   2.434   8.554  22.813
  275    H    GLN  44           H        GLN  44   2.497  12.182  17.452
  276    HA   GLN  44           HA       GLN  44   5.340  12.294  17.904
  277   1HB   GLN  44           HB2      GLN  44   3.854  14.210  17.078
  278   2HB   GLN  44           HB3      GLN  44   3.444  14.499  18.773
  279   1HG   GLN  44           HG2      GLN  44   5.895  14.672  19.304
  280   2HG   GLN  44           HG3      GLN  44   6.274  14.406  17.599
  281    HE2  GLN  44           HE2      GLN  44   5.090  16.113  16.015
  282    HE2  GLN  44           HE2      GLN  44   5.112  17.739  16.744
  283    H    HIS  45           H        HIS  45   6.297  11.375  19.562
  284    HA   HIS  45           HA       HIS  45   6.786  10.516  21.610
  285   1HB   HIS  45           HB2      HIS  45   7.296  12.855  22.101
  286   2HB   HIS  45           HB3      HIS  45   5.619  13.160  22.553
  287    HD1  HIS  45           HD1      HIS  45   8.645  11.101  23.830
  288    HD2  HIS  45           HD2      HIS  45   4.919  12.645  25.041
  289    HE1  HIS  45           HE1      HIS  45   8.461  10.698  26.355
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1  -3.809   7.286   7.104
    2   1HA   GLY   1           HA1      GLY   1  -2.725   4.869   7.766
    3   2HA   GLY   1           HA2      GLY   1  -3.958   5.062   6.514
    4    H    SER   2           H        SER   2  -1.308   6.672   5.616
    5    HA   SER   2           HA       SER   2   0.780   6.261   4.709
    6   1HB   SER   2           HB2      SER   2  -0.112   3.474   3.930
    7   2HB   SER   2           HB3      SER   2   1.419   4.220   3.480
    8    HG   SER   2           HG       SER   2   1.960   4.401   5.652
    9    HA   PRO   3           HA       PRO   3  -0.399   5.902   0.232
   10   1HB   PRO   3           HB2      PRO   3  -2.960   5.463  -0.719
   11   2HB   PRO   3           HB3      PRO   3  -1.804   4.177  -0.262
   12   1HG   PRO   3           HG2      PRO   3  -4.009   5.388   1.419
   13   2HG   PRO   3           HG3      PRO   3  -3.649   3.651   1.153
   14   1HD   PRO   3           HD2      PRO   3  -2.830   5.012   3.337
   15   2HD   PRO   3           HD3      PRO   3  -1.793   3.751   2.596
   16    HA   PRO   4           HA       PRO   4  -1.254  10.096  -0.401
   17   1HB   PRO   4           HB2      PRO   4  -0.990  10.395  -3.087
   18   2HB   PRO   4           HB3      PRO   4   0.317   9.731  -2.062
   19   1HG   PRO   4           HG2      PRO   4  -1.748   8.178  -3.666
   20   2HG   PRO   4           HG3      PRO   4   0.043   8.030  -3.736
   21   1HD   PRO   4           HD2      PRO   4  -1.440   6.401  -2.167
   22   2HD   PRO   4           HD3      PRO   4   0.140   7.027  -1.609
   23    H    GLN   5           H        GLN   5  -3.647   9.316   0.331
   24    HA   GLN   5           HA       GLN   5  -5.816   9.496  -1.444
   25   1HB   GLN   5           HB2      GLN   5  -5.392   9.636   1.471
   26   2HB   GLN   5           HB3      GLN   5  -6.797  10.544   0.968
   27   1HG   GLN   5           HG2      GLN   5  -7.633   8.430   1.459
   28   2HG   GLN   5           HG3      GLN   5  -7.632   8.530  -0.299
   29    HE2  GLN   5           HE2      GLN   5  -7.391   6.208   1.865
   30    HE2  GLN   5           HE2      GLN   5  -6.051   5.312   1.143
   31    H    CYS   6           H        CYS   6  -3.931  12.175  -0.409
   32    HA   CYS   6           HA       CYS   6  -6.056  14.112  -1.269
   33   1HB   CYS   6           HB2      CYS   6  -4.530  14.080   1.070
   34   2HB   CYS   6           HB3      CYS   6  -3.687  15.247   0.088
   35    H    GLN   7           H        GLN   7  -2.512  13.690  -1.337
   36    HA   GLN   7           HA       GLN   7  -2.227  14.397  -4.136
   37   1HB   GLN   7           HB2      GLN   7  -0.536  15.908  -2.118
   38   2HB   GLN   7           HB3      GLN   7  -0.815  16.267  -3.809
   39   1HG   GLN   7           HG2      GLN   7  -3.149  16.969  -3.273
   40   2HG   GLN   7           HG3      GLN   7  -2.795  16.729  -1.558
   41    HE2  GLN   7           HE2      GLN   7  -1.184  18.170  -0.465
   42    HE2  GLN   7           HE2      GLN   7  -0.848  19.699  -1.315
   43    HA   PRO   8           HA       PRO   8   0.940  11.327  -3.549
   44   1HB   PRO   8           HB2      PRO   8   3.073  11.969  -5.111
   45   2HB   PRO   8           HB3      PRO   8   1.467  11.515  -5.745
   46   1HG   PRO   8           HG2      PRO   8   2.547  14.315  -5.296
   47   2HG   PRO   8           HG3      PRO   8   1.789  13.647  -6.779
   48   1HD   PRO   8           HD2      PRO   8   0.374  15.086  -5.002
   49   2HD   PRO   8           HD3      PRO   8  -0.365  13.664  -5.791
   50    H    GLY   9           H        GLY   9   0.990  12.032  -1.262
   51   1HA   GLY   9           HA1      GLY   9   3.231  11.440   0.098
   52   2HA   GLY   9           HA2      GLY   9   3.635  13.096  -0.356
   53    H    GLU  10           H        GLU  10   0.516  11.711   0.808
   54    HA   GLU  10           HA       GLU  10   0.421  13.926   2.808
   55   1HB   GLU  10           HB2      GLU  10  -1.651  12.975   0.792
   56   2HB   GLU  10           HB3      GLU  10  -2.022  14.150   2.039
   57   1HG   GLU  10           HG2      GLU  10   0.141  14.564  -0.089
   58   2HG   GLU  10           HG3      GLU  10  -1.524  15.090  -0.192
   59    H    PHE  11           H        PHE  11  -2.042  13.565   4.111
   60    HA   PHE  11           HA       PHE  11  -1.755  10.984   5.316
   61   1HB   PHE  11           HB2      PHE  11  -0.981  12.623   6.746
   62   2HB   PHE  11           HB3      PHE  11  -2.303  13.708   6.431
   63    HD1  PHE  11           HD1      PHE  11  -2.558  10.010   7.227
   64    HD2  PHE  11           HD2      PHE  11  -3.105  14.069   8.618
   65    HE1  PHE  11           HE1      PHE  11  -4.036   9.191   9.014
   66    HE2  PHE  11           HE2      PHE  11  -4.576  13.213  10.427
   67    HZ   PHE  11           HZ       PHE  11  -5.084  10.788  10.577
   68    H    ALA  12           H        ALA  12  -3.199   9.623   5.126
   69    HA   ALA  12           HA       ALA  12  -6.026  10.238   4.503
   70   1HB   ALA  12           HB1      ALA  12  -4.623   8.566   3.131
   71   2HB   ALA  12           HB2      ALA  12  -4.564   7.545   4.557
   72   3HB   ALA  12           HB3      ALA  12  -6.133   7.912   3.812
   73    H    CYS  13           H        CYS  13  -7.214  10.567   6.279
   74    HA   CYS  13           HA       CYS  13  -6.795   9.260   8.870
   75   1HB   CYS  13           HB2      CYS  13  -7.509  11.583   8.670
   76   2HB   CYS  13           HB3      CYS  13  -8.863  11.061   7.660
   77    H    ALA  14           H        ALA  14  -7.673   7.293   9.343
   78    HA   ALA  14           HA       ALA  14  -9.520   5.879   7.738
   79   1HB   ALA  14           HB1      ALA  14  -9.625   4.338   9.624
   80   2HB   ALA  14           HB2      ALA  14  -7.953   4.870   9.352
   81   3HB   ALA  14           HB3      ALA  14  -8.898   5.549  10.693
   82    H    ASN  15           H        ASN  15 -10.359   8.569   9.801
   83    HA   ASN  15           HA       ASN  15 -13.153   7.745  10.150
   84   1HB   ASN  15           HB2      ASN  15 -12.195   9.527  11.586
   85   2HB   ASN  15           HB3      ASN  15 -11.964  10.565  10.183
   86    HD2  ASN  15           HD2      ASN  15 -14.534   8.913  12.089
   87    HD2  ASN  15           HD2      ASN  15 -15.724  10.129  11.601
   88    H    SER  16           H        SER  16 -11.255   9.154   7.626
   89    HA   SER  16           HA       SER  16 -11.764   8.523   5.381
   90   1HB   SER  16           HB2      SER  16 -14.482   9.836   5.685
   91   2HB   SER  16           HB3      SER  16 -13.798   9.111   4.217
   92    HG   SER  16           HG       SER  16 -14.450   7.890   6.661
   93    H    ARG  17           H        ARG  17 -10.113  10.222   6.211
   94    HA   ARG  17           HA       ARG  17 -10.803  12.870   4.906
   95   1HB   ARG  17           HB2      ARG  17  -9.120  13.067   7.355
   96   2HB   ARG  17           HB3      ARG  17 -10.132  14.250   6.607
   97   1HG   ARG  17           HG2      ARG  17 -11.264  11.813   8.064
   98   2HG   ARG  17           HG3      ARG  17 -10.862  13.310   8.877
   99   1HD   ARG  17           HD2      ARG  17 -12.792  13.191   6.540
  100   2HD   ARG  17           HD3      ARG  17 -13.288  12.986   8.231
  101    HE   ARG  17           HE       ARG  17 -11.830  15.320   8.268
  102    HH1  ARG  17           HH1      ARG  17 -12.696  17.380   8.137
  103    HH1  ARG  17           HH1      ARG  17 -14.225  17.630   7.351
  104    HH2  ARG  17           HH2      ARG  17 -15.359  15.907   6.445
  105    HH2  ARG  17           HH2      ARG  17 -14.677  14.303   6.549
  106    H    CYS  18           H        CYS  18  -9.518  13.949   3.595
  107    HA   CYS  18           HA       CYS  18  -6.676  13.049   3.520
  108   1HB   CYS  18           HB2      CYS  18  -6.477  13.225   1.423
  109   2HB   CYS  18           HB3      CYS  18  -8.183  12.918   1.379
  110    H    ILE  19           H        ILE  19  -5.340  14.178   4.555
  111    HA   ILE  19           HA       ILE  19  -5.349  17.148   4.411
  112    HB   ILE  19           HB       ILE  19  -4.446  16.999   6.876
  113    HG2  ILE  19           HG2      ILE  19  -7.418  16.979   6.285
  114    HG2  ILE  19           HG2      ILE  19  -6.649  17.560   7.784
  115    HG2  ILE  19           HG2      ILE  19  -6.317  18.370   6.244
  116    HG1  ILE  19           HG1      ILE  19  -4.752  14.408   6.838
  117    HG1  ILE  19           HG1      ILE  19  -5.037  15.327   8.293
  118    HD1  ILE  19           HD1      ILE  19  -7.269  14.348   6.501
  119    HD1  ILE  19           HD1      ILE  19  -6.686  13.566   7.980
  120    HD1  ILE  19           HD1      ILE  19  -7.430  15.167   8.072
  121    H    GLN  20           H        GLN  20  -3.101  17.840   5.186
  122    HA   GLN  20           HA       GLN  20  -1.267  16.157   3.693
  123   1HB   GLN  20           HB2      GLN  20   0.186  18.185   3.710
  124   2HB   GLN  20           HB3      GLN  20  -1.389  18.490   3.027
  125   1HG   GLN  20           HG2      GLN  20  -0.775  19.104   5.935
  126   2HG   GLN  20           HG3      GLN  20  -0.277  20.206   4.659
  127    HE2  GLN  20           HE2      GLN  20  -3.040  19.416   3.200
  128    HE2  GLN  20           HE2      GLN  20  -4.114  20.477   4.122
  129    H    GLU  21           H        GLU  21   0.831  15.810   4.186
  130    HA   GLU  21           HA       GLU  21   1.160  14.299   6.518
  131   1HB   GLU  21           HB2      GLU  21   2.170  13.783   4.432
  132   2HB   GLU  21           HB3      GLU  21   3.120  15.269   4.406
  133   1HG   GLU  21           HG2      GLU  21   4.676  14.484   5.920
  134   2HG   GLU  21           HG3      GLU  21   3.578  13.365   6.686
  135    H    ARG  22           H        ARG  22   1.780  17.696   6.281
  136    HA   ARG  22           HA       ARG  22   3.471  18.231   8.477
  137   1HB   ARG  22           HB2      ARG  22   2.544  19.984   7.126
  138   2HB   ARG  22           HB3      ARG  22   0.893  19.436   7.410
  139   1HG   ARG  22           HG2      ARG  22   1.096  20.074   9.826
  140   2HG   ARG  22           HG3      ARG  22   2.726  20.705   9.468
  141   1HD   ARG  22           HD2      ARG  22   1.683  22.628   9.035
  142   2HD   ARG  22           HD3      ARG  22   1.198  21.920   7.498
  143    HE   ARG  22           HE       ARG  22  -0.709  21.120   9.440
  144    HH1  ARG  22           HH1      ARG  22  -2.648  22.139   9.825
  145    HH1  ARG  22           HH1      ARG  22  -2.909  23.765   9.266
  146    HH2  ARG  22           HH2      ARG  22  -1.304  24.864   8.140
  147    HH2  ARG  22           HH2      ARG  22   0.233  24.082   7.864
  148    H    TRP  23           H        TRP  23   0.180  16.783   8.482
  149    HA   TRP  23           HA       TRP  23  -0.008  17.233  11.350
  150   1HB   TRP  23           HB2      TRP  23  -1.978  16.081   9.411
  151   2HB   TRP  23           HB3      TRP  23  -2.240  16.523  11.084
  152    HD1  TRP  23           HD1      TRP  23  -0.991  18.515   8.092
  153    HE1  TRP  23           HE1      TRP  23  -2.638  20.417   7.624
  154    HE3  TRP  23           HE3      TRP  23  -3.721  18.158  12.337
  155    HZ2  TRP  23           HZ2      TRP  23  -4.922  21.602   8.941
  156    HZ3  TRP  23           HZ3      TRP  23  -5.615  19.712  12.759
  157    HH2  TRP  23           HH2      TRP  23  -6.256  21.408  11.054
  158    H    LYS  24           H        LYS  24   1.578  14.810   9.552
  159    HA   LYS  24           HA       LYS  24   0.710  12.533  11.139
  160   1HB   LYS  24           HB2      LYS  24   2.900  13.036   9.055
  161   2HB   LYS  24           HB3      LYS  24   2.637  11.485   9.811
  162   1HG   LYS  24           HG2      LYS  24   0.335  11.371   8.841
  163   2HG   LYS  24           HG3      LYS  24   0.552  12.979   8.205
  164   1HD   LYS  24           HD2      LYS  24   1.574  12.232   6.377
  165   2HD   LYS  24           HD3      LYS  24   2.775  11.344   7.314
  166   1HE   LYS  24           HE2      LYS  24   1.481   9.367   7.275
  167   2HE   LYS  24           HE3      LYS  24   0.047  10.210   6.645
  168   1HZ   LYS  24           HZ1      LYS  24   2.528  10.437   5.101
  169   2HZ   LYS  24           HZ2      LYS  24   1.700   8.996   4.986
  170   3HZ   LYS  24           HZ3      LYS  24   0.994  10.422   4.564
  171    H    CYS  25           H        CYS  25   1.151  12.890  13.223
  172    HA   CYS  25           HA       CYS  25   2.121  13.468  15.091
  173   1HB   CYS  25           HB2      CYS  25   4.405  12.970  15.645
  174   2HB   CYS  25           HB3      CYS  25   3.413  11.619  15.133
  175    H    ASP  26           H        ASP  26   1.360  15.475  13.941
  176    HA   ASP  26           HA       ASP  26   3.266  17.440  15.063
  177   1HB   ASP  26           HB2      ASP  26   1.144  18.885  15.120
  178   2HB   ASP  26           HB3      ASP  26   1.796  18.532  13.513
  179    H    GLY  27           H        GLY  27   0.798  15.032  15.939
  180   1HA   GLY  27           HA1      GLY  27   0.372  14.355  18.171
  181   2HA   GLY  27           HA2      GLY  27   0.979  15.886  18.787
  182    H    ASP  28           H        ASP  28  -1.150  16.296  16.004
  183    HA   ASP  28           HA       ASP  28  -3.365  16.997  17.897
  184   1HB   ASP  28           HB2      ASP  28  -2.665  18.837  16.404
  185   2HB   ASP  28           HB3      ASP  28  -3.103  17.852  15.005
  186    H    ASN  29           H        ASN  29  -5.164  16.054  17.845
  187    HA   ASN  29           HA       ASN  29  -5.852  13.515  17.652
  188   1HB   ASN  29           HB2      ASN  29  -7.729  15.774  16.758
  189   2HB   ASN  29           HB3      ASN  29  -8.184  14.259  17.437
  190    HD2  ASN  29           HD2      ASN  29  -6.447  17.388  18.273
  191    HD2  ASN  29           HD2      ASN  29  -6.859  17.153  19.985
  192    H    ASP  30           H        ASP  30  -4.951  14.501  14.509
  193    HA   ASP  30           HA       ASP  30  -7.047  16.186  14.628
  194   1HB   ASP  30           HB2      ASP  30  -6.011  17.199  12.719
  195   2HB   ASP  30           HB3      ASP  30  -4.765  16.550  13.783
  196    H    CYS  31           H        CYS  31  -6.673  13.421  12.911
  197    HA   CYS  31           HA       CYS  31  -8.810  13.117  11.159
  198   1HB   CYS  31           HB2      CYS  31  -6.743  11.835  11.337
  199   2HB   CYS  31           HB3      CYS  31  -7.122  11.342  12.979
  200    H    LEU  32           H        LEU  32  -8.870  13.124  14.613
  201    HA   LEU  32           HA       LEU  32 -10.475  12.946  16.163
  202   1HB   LEU  32           HB2      LEU  32 -12.362  13.932  15.639
  203   2HB   LEU  32           HB3      LEU  32 -11.825  13.931  13.982
  204    HG   LEU  32           HG       LEU  32 -12.986  11.528  13.861
  205    HD1  LEU  32           HD1      LEU  32 -13.674  11.496  16.280
  206    HD1  LEU  32           HD1      LEU  32 -14.618  12.971  16.006
  207    HD1  LEU  32           HD1      LEU  32 -15.055  11.459  15.179
  208    HD2  LEU  32           HD2      LEU  32 -15.020  12.639  13.052
  209    HD2  LEU  32           HD2      LEU  32 -14.494  14.167  13.800
  210    HD2  LEU  32           HD2      LEU  32 -13.559  13.442  12.469
  211    H    ASP  33           H        ASP  33 -10.455  10.535  13.709
  212    HA   ASP  33           HA       ASP  33 -11.081   8.242  15.464
  213   1HB   ASP  33           HB2      ASP  33 -11.526   7.668  13.287
  214   2HB   ASP  33           HB3      ASP  33 -10.345   8.762  12.618
  215    H    ASN  34           H        ASN  34  -8.544  10.468  14.932
  216    HA   ASN  34           HA       ASN  34  -6.365  10.622  15.439
  217   1HB   ASN  34           HB2      ASN  34  -7.505  10.546  17.662
  218   2HB   ASN  34           HB3      ASN  34  -7.208   8.813  17.751
  219    HD2  ASN  34           HD2      ASN  34  -4.751   8.288  17.379
  220    HD2  ASN  34           HD2      ASN  34  -3.689   9.238  18.465
  221    H    SER  35           H        SER  35  -6.127   9.475  13.350
  222    HA   SER  35           HA       SER  35  -5.174   6.725  13.471
  223   1HB   SER  35           HB2      SER  35  -5.514   8.799  11.269
  224   2HB   SER  35           HB3      SER  35  -4.554   7.351  10.995
  225    HG   SER  35           HG       SER  35  -7.304   7.118  11.921
  226    H    ASP  36           H        ASP  36  -3.970   9.858  12.596
  227    HA   ASP  36           HA       ASP  36  -1.373   9.517  12.103
  228   1HB   ASP  36           HB2      ASP  36  -1.407  12.031  13.014
  229   2HB   ASP  36           HB3      ASP  36  -2.126  11.569  11.499
  230    H    GLU  37           H        GLU  37  -2.717  10.713  15.043
  231    HA   GLU  37           HA       GLU  37  -0.292  10.355  16.519
  232   1HB   GLU  37           HB2      GLU  37  -2.925  11.327  17.610
  233   2HB   GLU  37           HB3      GLU  37  -1.277  11.726  18.130
  234   1HG   GLU  37           HG2      GLU  37  -2.599  12.443  15.509
  235   2HG   GLU  37           HG3      GLU  37  -2.285  13.535  16.879
  236    H    ALA  38           H        ALA  38  -2.072   7.796  15.662
  237    HA   ALA  38           HA       ALA  38  -1.127   6.548  18.154
  238   1HB   ALA  38           HB1      ALA  38  -2.580   4.664  17.359
  239   2HB   ALA  38           HB2      ALA  38  -3.519   6.143  17.677
  240   3HB   ALA  38           HB3      ALA  38  -3.121   5.693  16.008
  241    HA   PRO  39           HA       PRO  39   2.258   5.465  15.462
  242   1HB   PRO  39           HB2      PRO  39   3.445   3.417  16.828
  243   2HB   PRO  39           HB3      PRO  39   3.372   5.091  17.442
  244   1HG   PRO  39           HG2      PRO  39   1.474   2.806  18.082
  245   2HG   PRO  39           HG3      PRO  39   2.360   3.859  19.237
  246   1HD   PRO  39           HD2      PRO  39  -0.199   4.395  18.535
  247   2HD   PRO  39           HD3      PRO  39   0.988   5.720  18.733
  248    H    ALA  40           H        ALA  40  -0.360   4.178  14.921
  249    HA   ALA  40           HA       ALA  40   0.379   1.897  13.161
  250   1HB   ALA  40           HB1      ALA  40  -2.157   3.595  13.386
  251   2HB   ALA  40           HB2      ALA  40  -1.924   2.209  12.299
  252   3HB   ALA  40           HB3      ALA  40  -1.934   1.962  14.057
  253    H    LEU  41           H        LEU  41   0.240   5.394  13.392
  254    HA   LEU  41           HA       LEU  41   1.236   5.682  10.609
  255   1HB   LEU  41           HB2      LEU  41  -1.016   6.577  11.020
  256   2HB   LEU  41           HB3      LEU  41  -0.421   7.603  12.302
  257    HG   LEU  41           HG       LEU  41   0.965   7.770   9.620
  258    HD1  LEU  41           HD1      LEU  41  -1.352   7.668   8.942
  259    HD1  LEU  41           HD1      LEU  41  -1.776   8.969  10.066
  260    HD1  LEU  41           HD1      LEU  41  -0.706   9.297   8.692
  261    HD2  LEU  41           HD2      LEU  41   0.255  10.337  10.653
  262    HD2  LEU  41           HD2      LEU  41   0.877   9.435  11.982
  263    HD2  LEU  41           HD2      LEU  41   1.866   9.571  10.530
  264    H    CYS  42           H        CYS  42   1.228   8.020  13.472
  265    HA   CYS  42           HA       CYS  42   4.128   7.395  13.677
  266   1HB   CYS  42           HB2      CYS  42   3.891   9.347  12.179
  267   2HB   CYS  42           HB3      CYS  42   2.989  10.185  13.432
  268    H    HIS  43           H        HIS  43   1.684   9.551  15.249
  269    HA   HIS  43           HA       HIS  43   1.609  10.445  17.310
  270   1HB   HIS  43           HB2      HIS  43   0.963   8.075  17.881
  271   2HB   HIS  43           HB3      HIS  43   2.636   7.708  18.234
  272    HD1  HIS  43           HD1      HIS  43  -0.321   9.514  19.726
  273    HD2  HIS  43           HD2      HIS  43   3.709   8.621  20.532
  274    HE1  HIS  43           HE1      HIS  43   0.126  10.218  22.179
  275    H    GLN  44           H        GLN  44   4.648   8.597  17.300
  276    HA   GLN  44           HA       GLN  44   6.700   8.943  18.139
  277   1HB   GLN  44           HB2      GLN  44   6.649  10.780  16.443
  278   2HB   GLN  44           HB3      GLN  44   6.271  11.924  17.736
  279   1HG   GLN  44           HG2      GLN  44   8.388  11.237  18.900
  280   2HG   GLN  44           HG3      GLN  44   8.759  10.162  17.546
  281    HE2  GLN  44           HE2      GLN  44   8.086  11.840  15.278
  282    HE2  GLN  44           HE2      GLN  44   9.189  13.215  15.415
  283    H    HIS  45           H        HIS  45   4.882  11.672  19.536
  284    HA   HIS  45           HA       HIS  45   4.846  10.458  22.170
  285   1HB   HIS  45           HB2      HIS  45   7.108  11.430  22.241
  286   2HB   HIS  45           HB3      HIS  45   6.465  13.012  21.805
  287    HD1  HIS  45           HD1      HIS  45   4.739  14.067  23.680
  288    HD2  HIS  45           HD2      HIS  45   7.109  10.799  24.825
  289    HE1  HIS  45           HE1      HIS  45   4.808  14.071  26.281
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1  -1.085   9.242   3.976
    2   1HA   GLY   1           HA1      GLY   1  -0.013   8.128   5.771
    3   2HA   GLY   1           HA2      GLY   1  -1.474   7.178   6.069
    4    H    SER   2           H        SER   2  -1.257   6.836   2.940
    5    HA   SER   2           HA       SER   2   1.064   5.320   2.331
    6   1HB   SER   2           HB2      SER   2  -1.346   3.627   3.066
    7   2HB   SER   2           HB3      SER   2  -0.071   3.060   1.964
    8    HG   SER   2           HG       SER   2   0.609   4.223   4.447
    9    HA   PRO   3           HA       PRO   3  -1.779   5.431  -1.470
   10   1HB   PRO   3           HB2      PRO   3  -4.397   6.244  -1.322
   11   2HB   PRO   3           HB3      PRO   3  -3.891   4.541  -1.098
   12   1HG   PRO   3           HG2      PRO   3  -4.443   6.620   1.043
   13   2HG   PRO   3           HG3      PRO   3  -5.069   4.945   0.943
   14   1HD   PRO   3           HD2      PRO   3  -2.912   5.589   2.457
   15   2HD   PRO   3           HD3      PRO   3  -2.994   4.035   1.576
   16    HA   PRO   4           HA       PRO   4  -1.184   9.852  -1.731
   17   1HB   PRO   4           HB2      PRO   4  -1.722  10.396  -4.351
   18   2HB   PRO   4           HB3      PRO   4  -0.445   9.224  -3.909
   19   1HG   PRO   4           HG2      PRO   4  -3.322   8.575  -4.630
   20   2HG   PRO   4           HG3      PRO   4  -1.822   7.915  -5.365
   21   1HD   PRO   4           HD2      PRO   4  -3.114   6.622  -3.346
   22   2HD   PRO   4           HD3      PRO   4  -1.327   6.636  -3.446
   23    H    GLN   5           H        GLN   5  -3.142   9.625  -0.222
   24    HA   GLN   5           HA       GLN   5  -5.713   9.728  -1.171
   25   1HB   GLN   5           HB2      GLN   5  -4.817   8.879   0.983
   26   2HB   GLN   5           HB3      GLN   5  -4.730  10.524   1.604
   27   1HG   GLN   5           HG2      GLN   5  -6.760   9.337   2.417
   28   2HG   GLN   5           HG3      GLN   5  -7.154  10.778   1.518
   29    HE2  GLN   5           HE2      GLN   5  -8.017  10.534  -0.701
   30    HE2  GLN   5           HE2      GLN   5  -8.813   8.980  -1.076
   31    H    CYS   6           H        CYS   6  -3.773  12.451  -0.522
   32    HA   CYS   6           HA       CYS   6  -6.007  14.346  -1.155
   33   1HB   CYS   6           HB2      CYS   6  -4.423  14.321   1.204
   34   2HB   CYS   6           HB3      CYS   6  -3.749  15.608   0.235
   35    H    GLN   7           H        GLN   7  -2.457  14.027  -1.061
   36    HA   GLN   7           HA       GLN   7  -2.188  14.428  -3.936
   37   1HB   GLN   7           HB2      GLN   7  -0.393  15.902  -1.953
   38   2HB   GLN   7           HB3      GLN   7  -0.424  16.052  -3.702
   39   1HG   GLN   7           HG2      GLN   7  -2.890  16.895  -3.367
   40   2HG   GLN   7           HG3      GLN   7  -2.385  17.150  -1.698
   41    HE2  GLN   7           HE2      GLN   7  -1.766  18.137  -5.118
   42    HE2  GLN   7           HE2      GLN   7  -0.918  19.602  -4.590
   43    HA   PRO   8           HA       PRO   8   0.538  11.013  -3.176
   44   1HB   PRO   8           HB2      PRO   8   2.597  11.134  -4.948
   45   2HB   PRO   8           HB3      PRO   8   0.892  10.954  -5.451
   46   1HG   PRO   8           HG2      PRO   8   2.499  13.523  -5.280
   47   2HG   PRO   8           HG3      PRO   8   1.535  12.915  -6.664
   48   1HD   PRO   8           HD2      PRO   8   0.544  14.705  -4.902
   49   2HD   PRO   8           HD3      PRO   8  -0.505  13.428  -5.584
   50    H    GLY   9           H        GLY   9   0.817  12.013  -1.049
   51   1HA   GLY   9           HA1      GLY   9   3.089  11.236   0.252
   52   2HA   GLY   9           HA2      GLY   9   3.552  12.852  -0.296
   53    H    GLU  10           H        GLU  10   0.472  11.533   1.049
   54    HA   GLU  10           HA       GLU  10   0.428  13.740   3.040
   55   1HB   GLU  10           HB2      GLU  10  -1.661  13.055   0.940
   56   2HB   GLU  10           HB3      GLU  10  -1.984  14.142   2.277
   57   1HG   GLU  10           HG2      GLU  10   0.222  14.642   0.218
   58   2HG   GLU  10           HG3      GLU  10  -1.420  15.231   0.111
   59    H    PHE  11           H        PHE  11  -2.074  13.413   4.300
   60    HA   PHE  11           HA       PHE  11  -1.790  10.793   5.433
   61   1HB   PHE  11           HB2      PHE  11  -1.011  12.339   6.908
   62   2HB   PHE  11           HB3      PHE  11  -2.303  13.452   6.678
   63    HD1  PHE  11           HD1      PHE  11  -2.574   9.696   7.292
   64    HD2  PHE  11           HD2      PHE  11  -3.058  13.658   8.962
   65    HE1  PHE  11           HE1      PHE  11  -3.907   8.767   9.135
   66    HE2  PHE  11           HE2      PHE  11  -4.358  12.682  10.807
   67    HZ   PHE  11           HZ       PHE  11  -4.831  10.289  10.889
   68    H    ALA  12           H        ALA  12  -3.227   9.424   5.229
   69    HA   ALA  12           HA       ALA  12  -6.058  10.012   4.647
   70   1HB   ALA  12           HB1      ALA  12  -4.742   8.359   3.252
   71   2HB   ALA  12           HB2      ALA  12  -4.481   7.378   4.696
   72   3HB   ALA  12           HB3      ALA  12  -6.129   7.607   4.076
   73    H    CYS  13           H        CYS  13  -7.218  10.343   6.421
   74    HA   CYS  13           HA       CYS  13  -6.707   9.134   9.059
   75   1HB   CYS  13           HB2      CYS  13  -7.323  11.458   8.833
   76   2HB   CYS  13           HB3      CYS  13  -8.736  11.004   7.881
   77    H    ALA  14           H        ALA  14  -7.694   7.242   9.727
   78    HA   ALA  14           HA       ALA  14  -9.638   5.832   8.259
   79   1HB   ALA  14           HB1      ALA  14  -9.795   4.425  10.232
   80   2HB   ALA  14           HB2      ALA  14  -8.099   4.869   9.944
   81   3HB   ALA  14           HB3      ALA  14  -9.029   5.670  11.230
   82    H    ASN  15           H        ASN  15 -10.305   8.694  10.163
   83    HA   ASN  15           HA       ASN  15 -13.129   8.032  10.577
   84   1HB   ASN  15           HB2      ASN  15 -12.115   9.825  11.913
   85   2HB   ASN  15           HB3      ASN  15 -11.774  10.776  10.478
   86    HD2  ASN  15           HD2      ASN  15 -14.495   9.371  12.378
   87    HD2  ASN  15           HD2      ASN  15 -15.605  10.617  11.793
   88    H    SER  16           H        SER  16 -11.204   9.142   7.934
   89    HA   SER  16           HA       SER  16 -11.762   8.261   5.796
   90   1HB   SER  16           HB2      SER  16 -14.431   9.693   5.927
   91   2HB   SER  16           HB3      SER  16 -13.787   8.735   4.580
   92    HG   SER  16           HG       SER  16 -14.463   7.907   7.179
   93    H    ARG  17           H        ARG  17 -10.082  10.050   6.443
   94    HA   ARG  17           HA       ARG  17 -10.785  12.588   4.935
   95   1HB   ARG  17           HB2      ARG  17  -9.113  12.948   7.383
   96   2HB   ARG  17           HB3      ARG  17 -10.105  14.084   6.540
   97   1HG   ARG  17           HG2      ARG  17 -11.188  11.783   8.233
   98   2HG   ARG  17           HG3      ARG  17 -10.936  13.418   8.812
   99   1HD   ARG  17           HD2      ARG  17 -12.818  12.672   6.547
  100   2HD   ARG  17           HD3      ARG  17 -13.297  12.915   8.229
  101    HE   ARG  17           HE       ARG  17 -12.009  15.248   7.648
  102    HH1  ARG  17           HH1      ARG  17 -12.955  17.126   6.855
  103    HH1  ARG  17           HH1      ARG  17 -14.424  17.031   5.934
  104    HH2  ARG  17           HH2      ARG  17 -15.396  15.052   5.492
  105    HH2  ARG  17           HH2      ARG  17 -14.646  13.594   6.088
  106    H    CYS  18           H        CYS  18  -9.507  13.685   3.651
  107    HA   CYS  18           HA       CYS  18  -6.649  12.851   3.629
  108   1HB   CYS  18           HB2      CYS  18  -6.385  13.254   1.546
  109   2HB   CYS  18           HB3      CYS  18  -8.061  12.828   1.424
  110    H    ILE  19           H        ILE  19  -5.364  13.974   4.730
  111    HA   ILE  19           HA       ILE  19  -5.429  16.953   4.713
  112    HB   ILE  19           HB       ILE  19  -4.605  16.807   7.141
  113    HG2  ILE  19           HG2      ILE  19  -7.544  16.251   6.539
  114    HG2  ILE  19           HG2      ILE  19  -6.919  16.828   8.090
  115    HG2  ILE  19           HG2      ILE  19  -6.737  17.828   6.635
  116    HG1  ILE  19           HG1      ILE  19  -4.436  14.217   6.987
  117    HG1  ILE  19           HG1      ILE  19  -4.884  14.992   8.474
  118    HD1  ILE  19           HD1      ILE  19  -6.915  13.697   6.649
  119    HD1  ILE  19           HD1      ILE  19  -6.110  12.939   8.025
  120    HD1  ILE  19           HD1      ILE  19  -7.171  14.334   8.292
  121    H    GLN  20           H        GLN  20  -3.204  17.643   5.598
  122    HA   GLN  20           HA       GLN  20  -1.347  16.191   3.943
  123   1HB   GLN  20           HB2      GLN  20  -0.017  18.297   4.073
  124   2HB   GLN  20           HB3      GLN  20  -1.683  18.570   3.547
  125   1HG   GLN  20           HG2      GLN  20  -2.312  19.416   5.752
  126   2HG   GLN  20           HG3      GLN  20  -0.732  18.982   6.405
  127    HE2  GLN  20           HE2      GLN  20  -0.610  20.442   3.214
  128    HE2  GLN  20           HE2      GLN  20  -0.114  22.016   3.844
  129    H    GLU  21           H        GLU  21   0.687  15.710   4.367
  130    HA   GLU  21           HA       GLU  21   1.192  14.035   6.527
  131   1HB   GLU  21           HB2      GLU  21   2.133  13.761   4.402
  132   2HB   GLU  21           HB3      GLU  21   2.983  15.302   4.449
  133   1HG   GLU  21           HG2      GLU  21   4.708  14.485   5.629
  134   2HG   GLU  21           HG3      GLU  21   3.763  13.435   6.622
  135    H    ARG  22           H        ARG  22   1.703  17.421   6.550
  136    HA   ARG  22           HA       ARG  22   3.581  17.733   8.725
  137   1HB   ARG  22           HB2      ARG  22   3.042  19.685   7.582
  138   2HB   ARG  22           HB3      ARG  22   1.320  19.334   7.569
  139   1HG   ARG  22           HG2      ARG  22   1.209  19.781  10.025
  140   2HG   ARG  22           HG3      ARG  22   2.926  20.249  10.000
  141   1HD   ARG  22           HD2      ARG  22   2.488  22.232   8.889
  142   2HD   ARG  22           HD3      ARG  22   1.159  21.531   7.967
  143    HE   ARG  22           HE       ARG  22   0.885  22.104  10.883
  144    HH1  ARG  22           HH1      ARG  22  -1.003  22.975  11.600
  145    HH1  ARG  22           HH1      ARG  22  -2.218  23.496  10.480
  146    HH2  ARG  22           HH2      ARG  22  -1.891  23.374   8.296
  147    HH2  ARG  22           HH2      ARG  22  -0.533  22.519   7.617
  148    H    TRP  23           H        TRP  23   0.229  16.581   8.711
  149    HA   TRP  23           HA       TRP  23  -0.088  16.961  11.581
  150   1HB   TRP  23           HB2      TRP  23  -1.962  15.832   9.488
  151   2HB   TRP  23           HB3      TRP  23  -2.358  16.416  11.097
  152    HD1  TRP  23           HD1      TRP  23  -0.309  18.761   8.937
  153    HE1  TRP  23           HE1      TRP  23  -1.660  20.750   8.181
  154    HE3  TRP  23           HE3      TRP  23  -4.960  17.084  10.156
  155    HZ2  TRP  23           HZ2      TRP  23  -4.383  21.601   8.206
  156    HZ3  TRP  23           HZ3      TRP  23  -6.923  18.534   9.837
  157    HH2  TRP  23           HH2      TRP  23  -6.662  20.802   8.847
  158    H    LYS  24           H        LYS  24   1.496  14.550   9.686
  159    HA   LYS  24           HA       LYS  24   0.704  12.284  11.311
  160   1HB   LYS  24           HB2      LYS  24   2.878  12.749   9.201
  161   2HB   LYS  24           HB3      LYS  24   2.512  11.204   9.908
  162   1HG   LYS  24           HG2      LYS  24   0.202  11.278   8.903
  163   2HG   LYS  24           HG3      LYS  24   0.583  12.878   8.294
  164   1HD   LYS  24           HD2      LYS  24   1.016  11.516   6.413
  165   2HD   LYS  24           HD3      LYS  24   2.587  11.818   7.129
  166   1HE   LYS  24           HE2      LYS  24   2.291   9.542   8.331
  167   2HE   LYS  24           HE3      LYS  24   0.980   9.285   7.164
  168   1HZ   LYS  24           HZ1      LYS  24   3.857   9.496   6.688
  169   2HZ   LYS  24           HZ2      LYS  24   2.758   8.542   5.901
  170   3HZ   LYS  24           HZ3      LYS  24   2.944  10.170   5.563
  171    H    CYS  25           H        CYS  25   1.270  12.598  13.330
  172    HA   CYS  25           HA       CYS  25   2.332  13.284  15.150
  173   1HB   CYS  25           HB2      CYS  25   4.630  12.781  15.558
  174   2HB   CYS  25           HB3      CYS  25   3.600  11.419  15.125
  175    H    ASP  26           H        ASP  26   1.553  15.282  14.020
  176    HA   ASP  26           HA       ASP  26   3.514  17.235  15.054
  177   1HB   ASP  26           HB2      ASP  26   1.349  18.589  15.388
  178   2HB   ASP  26           HB3      ASP  26   1.894  18.364  13.717
  179    H    GLY  27           H        GLY  27   1.087  14.784  16.060
  180   1HA   GLY  27           HA1      GLY  27   1.135  13.963  18.327
  181   2HA   GLY  27           HA2      GLY  27   1.644  15.546  18.890
  182    H    ASP  28           H        ASP  28  -0.997  15.547  16.497
  183    HA   ASP  28           HA       ASP  28  -2.896  15.466  18.781
  184   1HB   ASP  28           HB2      ASP  28  -2.370  17.875  18.217
  185   2HB   ASP  28           HB3      ASP  28  -3.227  17.618  16.696
  186    H    ASN  29           H        ASN  29  -4.979  15.054  18.397
  187    HA   ASN  29           HA       ASN  29  -5.609  13.029  16.413
  188   1HB   ASN  29           HB2      ASN  29  -7.903  14.191  17.887
  189   2HB   ASN  29           HB3      ASN  29  -7.426  12.561  17.622
  190    HD2  ASN  29           HD2      ASN  29  -6.058  15.416  19.705
  191    HD2  ASN  29           HD2      ASN  29  -5.987  14.270  21.041
  192    H    ASP  30           H        ASP  30  -4.838  14.936  14.875
  193    HA   ASP  30           HA       ASP  30  -6.635  16.945  13.978
  194   1HB   ASP  30           HB2      ASP  30  -5.031  17.182  12.322
  195   2HB   ASP  30           HB3      ASP  30  -4.114  16.459  13.632
  196    H    CYS  31           H        CYS  31  -6.349  13.565  13.422
  197    HA   CYS  31           HA       CYS  31  -8.405  13.264  11.475
  198   1HB   CYS  31           HB2      CYS  31  -6.449  11.860  11.643
  199   2HB   CYS  31           HB3      CYS  31  -6.861  11.391  13.287
  200    H    LEU  32           H        LEU  32  -8.800  13.792  14.794
  201    HA   LEU  32           HA       LEU  32 -10.395  13.502  16.307
  202   1HB   LEU  32           HB2      LEU  32 -12.389  14.226  15.679
  203   2HB   LEU  32           HB3      LEU  32 -11.667  14.332  14.091
  204    HG   LEU  32           HG       LEU  32 -12.649  11.868  13.780
  205    HD1  LEU  32           HD1      LEU  32 -14.809  11.595  14.912
  206    HD1  LEU  32           HD1      LEU  32 -13.522  11.639  16.117
  207    HD1  LEU  32           HD1      LEU  32 -14.532  13.071  15.859
  208    HD2  LEU  32           HD2      LEU  32 -13.265  13.805  12.434
  209    HD2  LEU  32           HD2      LEU  32 -14.713  12.902  12.888
  210    HD2  LEU  32           HD2      LEU  32 -14.317  14.413  13.736
  211    H    ASP  33           H        ASP  33 -10.258  10.855  14.057
  212    HA   ASP  33           HA       ASP  33 -11.239   8.739  15.841
  213   1HB   ASP  33           HB2      ASP  33 -11.581   8.133  13.662
  214   2HB   ASP  33           HB3      ASP  33 -10.269   9.107  13.048
  215    H    ASN  34           H        ASN  34  -8.370  10.463  15.266
  216    HA   ASN  34           HA       ASN  34  -6.218  10.381  15.818
  217   1HB   ASN  34           HB2      ASN  34  -7.193  10.276  18.150
  218   2HB   ASN  34           HB3      ASN  34  -6.986   8.525  18.104
  219    HD2  ASN  34           HD2      ASN  34  -5.608  11.009  19.613
  220    HD2  ASN  34           HD2      ASN  34  -3.916  10.479  19.414
  221    H    SER  35           H        SER  35  -5.591   9.523  13.901
  222    HA   SER  35           HA       SER  35  -5.008   6.609  13.877
  223   1HB   SER  35           HB2      SER  35  -5.712   8.589  11.701
  224   2HB   SER  35           HB3      SER  35  -4.707   7.198  11.324
  225    HG   SER  35           HG       SER  35  -7.382   7.043  12.502
  226    H    ASP  36           H        ASP  36  -3.805   9.701  12.784
  227    HA   ASP  36           HA       ASP  36  -1.150   9.426  12.247
  228   1HB   ASP  36           HB2      ASP  36  -1.263  11.832  13.324
  229   2HB   ASP  36           HB3      ASP  36  -2.039  11.495  11.807
  230    H    GLU  37           H        GLU  37  -2.491  10.477  15.283
  231    HA   GLU  37           HA       GLU  37  -0.025   9.926  16.661
  232   1HB   GLU  37           HB2      GLU  37  -2.539  10.969  17.931
  233   2HB   GLU  37           HB3      GLU  37  -0.842  11.269  18.345
  234   1HG   GLU  37           HG2      GLU  37  -2.270  12.163  15.835
  235   2HG   GLU  37           HG3      GLU  37  -1.903  13.148  17.232
  236    H    ALA  38           H        ALA  38  -2.007   7.490  15.766
  237    HA   ALA  38           HA       ALA  38  -1.318   6.098  18.253
  238   1HB   ALA  38           HB1      ALA  38  -3.104   5.438  15.866
  239   2HB   ALA  38           HB2      ALA  38  -2.789   4.352  17.243
  240   3HB   ALA  38           HB3      ALA  38  -3.669   5.886  17.483
  241    HA   PRO  39           HA       PRO  39   2.288   4.954  15.860
  242   1HB   PRO  39           HB2      PRO  39   3.179   2.752  17.225
  243   2HB   PRO  39           HB3      PRO  39   3.162   4.398  17.917
  244   1HG   PRO  39           HG2      PRO  39   1.045   2.239  18.237
  245   2HG   PRO  39           HG3      PRO  39   1.883   3.161  19.532
  246   1HD   PRO  39           HD2      PRO  39  -0.537   3.936  18.621
  247   2HD   PRO  39           HD3      PRO  39   0.722   5.156  18.983
  248    H    ALA  40           H        ALA  40  -0.312   3.915  14.985
  249    HA   ALA  40           HA       ALA  40   0.404   1.602  13.240
  250   1HB   ALA  40           HB1      ALA  40  -2.088   3.376  13.365
  251   2HB   ALA  40           HB2      ALA  40  -1.840   2.002  12.265
  252   3HB   ALA  40           HB3      ALA  40  -1.952   1.723  14.014
  253    H    LEU  41           H        LEU  41   0.387   5.096  13.539
  254    HA   LEU  41           HA       LEU  41   1.388   5.398  10.754
  255   1HB   LEU  41           HB2      LEU  41  -0.874   6.271  11.178
  256   2HB   LEU  41           HB3      LEU  41  -0.276   7.333  12.431
  257    HG   LEU  41           HG       LEU  41   1.033   7.431   9.701
  258    HD1  LEU  41           HD1      LEU  41  -1.637   8.721  10.284
  259    HD1  LEU  41           HD1      LEU  41  -0.632   9.022   8.854
  260    HD1  LEU  41           HD1      LEU  41  -1.324   7.415   9.129
  261    HD2  LEU  41           HD2      LEU  41   0.958   9.189  12.054
  262    HD2  LEU  41           HD2      LEU  41   2.120   9.069  10.730
  263    HD2  LEU  41           HD2      LEU  41   0.619  10.017  10.570
  264    H    CYS  42           H        CYS  42   1.387   7.746  13.595
  265    HA   CYS  42           HA       CYS  42   4.298   7.144  13.766
  266   1HB   CYS  42           HB2      CYS  42   4.015   9.052  12.252
  267   2HB   CYS  42           HB3      CYS  42   3.127   9.915  13.501
  268    H    HIS  43           H        HIS  43   1.986   9.391  15.399
  269    HA   HIS  43           HA       HIS  43   1.952  10.190  17.499
  270   1HB   HIS  43           HB2      HIS  43   1.261   7.777  17.994
  271   2HB   HIS  43           HB3      HIS  43   2.927   7.427  18.387
  272    HD1  HIS  43           HD1      HIS  43  -0.084   9.020  19.898
  273    HD2  HIS  43           HD2      HIS  43   4.044   8.667  20.601
  274    HE1  HIS  43           HE1      HIS  43   0.340   9.858  22.321
  275    H    GLN  44           H        GLN  44   3.448  11.794  17.421
  276    HA   GLN  44           HA       GLN  44   5.683  11.373  19.233
  277   1HB   GLN  44           HB2      GLN  44   6.620  10.731  16.950
  278   2HB   GLN  44           HB3      GLN  44   6.511  12.431  16.502
  279   1HG   GLN  44           HG2      GLN  44   7.997  13.049  18.371
  280   2HG   GLN  44           HG3      GLN  44   8.033  11.369  18.925
  281    HE2  GLN  44           HE2      GLN  44   8.694   9.752  16.913
  282    HE2  GLN  44           HE2      GLN  44  10.134  10.393  16.101
  283    H    HIS  45           H        HIS  45   3.938  12.731  20.220
  284    HA   HIS  45           HA       HIS  45   3.575  15.465  19.486
  285   1HB   HIS  45           HB2      HIS  45   2.086  14.091  20.977
  286   2HB   HIS  45           HB3      HIS  45   3.321  14.152  22.230
  287    HD1  HIS  45           HD1      HIS  45   0.415  16.129  20.861
  288    HD2  HIS  45           HD2      HIS  45   3.832  16.707  23.286
  289    HE1  HIS  45           HE1      HIS  45   0.084  18.333  22.102
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1   2.828   1.273  -6.012
    2   1HA   GLY   1           HA1      GLY   1   2.652  -0.337  -4.163
    3   2HA   GLY   1           HA2      GLY   1   4.270   0.370  -4.128
    4    H    SER   2           H        SER   2   2.242   2.829  -3.219
    5    HA   SER   2           HA       SER   2   1.898   2.069  -0.396
    6   1HB   SER   2           HB2      SER   2   3.091   4.055   0.425
    7   2HB   SER   2           HB3      SER   2   4.174   3.017  -0.512
    8    HG   SER   2           HG       SER   2   4.402   5.205  -1.102
    9    HA   PRO   3           HA       PRO   3  -1.687   4.604  -0.964
   10   1HB   PRO   3           HB2      PRO   3  -2.392   5.367   1.549
   11   2HB   PRO   3           HB3      PRO   3  -2.458   3.674   0.987
   12   1HG   PRO   3           HG2      PRO   3  -0.249   5.005   2.590
   13   2HG   PRO   3           HG3      PRO   3  -1.060   3.439   2.906
   14   1HD   PRO   3           HD2      PRO   3   1.329   3.617   1.593
   15   2HD   PRO   3           HD3      PRO   3   0.116   2.371   1.176
   16    HA   PRO   4           HA       PRO   4   0.267   8.740  -1.157
   17   1HB   PRO   4           HB2      PRO   4  -1.494   9.957  -2.884
   18   2HB   PRO   4           HB3      PRO   4  -0.273   8.761  -3.409
   19   1HG   PRO   4           HG2      PRO   4  -3.210   8.305  -2.822
   20   2HG   PRO   4           HG3      PRO   4  -2.257   7.747  -4.232
   21   1HD   PRO   4           HD2      PRO   4  -2.764   6.149  -2.073
   22   2HD   PRO   4           HD3      PRO   4  -1.230   6.043  -2.988
   23    H    GLN   5           H        GLN   5  -3.192   8.376  -0.722
   24    HA   GLN   5           HA       GLN   5  -4.593   8.807   0.938
   25   1HB   GLN   5           HB2      GLN   5  -2.253  10.058   2.395
   26   2HB   GLN   5           HB3      GLN   5  -3.854   9.819   3.055
   27   1HG   GLN   5           HG2      GLN   5  -3.626   7.344   2.475
   28   2HG   GLN   5           HG3      GLN   5  -1.932   7.677   2.103
   29    HE2  GLN   5           HE2      GLN   5  -2.197   5.731   3.909
   30    HE2  GLN   5           HE2      GLN   5  -1.974   6.393   5.533
   31    H    CYS   6           H        CYS   6  -3.013  11.644  -0.365
   32    HA   CYS   6           HA       CYS   6  -5.664  12.945  -0.602
   33   1HB   CYS   6           HB2      CYS   6  -4.546  13.659   1.670
   34   2HB   CYS   6           HB3      CYS   6  -3.459  14.577   0.676
   35    H    GLN   7           H        GLN   7  -2.233  13.490  -0.853
   36    HA   GLN   7           HA       GLN   7  -2.277  13.923  -3.747
   37   1HB   GLN   7           HB2      GLN   7  -0.427  15.548  -1.987
   38   2HB   GLN   7           HB3      GLN   7  -0.956  15.847  -3.647
   39   1HG   GLN   7           HG2      GLN   7  -3.284  16.346  -2.722
   40   2HG   GLN   7           HG3      GLN   7  -2.591  16.281  -1.118
   41    HE2  GLN   7           HE2      GLN   7  -0.896  17.877  -0.431
   42    HE2  GLN   7           HE2      GLN   7  -0.858  19.376  -1.393
   43    HA   PRO   8           HA       PRO   8   0.869  10.868  -3.316
   44   1HB   PRO   8           HB2      PRO   8   3.108  11.429  -4.744
   45   2HB   PRO   8           HB3      PRO   8   1.495  11.256  -5.488
   46   1HG   PRO   8           HG2      PRO   8   2.877  13.831  -4.668
   47   2HG   PRO   8           HG3      PRO   8   2.124  13.436  -6.248
   48   1HD   PRO   8           HD2      PRO   8   0.820  14.822  -4.301
   49   2HD   PRO   8           HD3      PRO   8  -0.054  13.683  -5.373
   50    H    GLY   9           H        GLY   9   0.815  11.605  -0.937
   51   1HA   GLY   9           HA1      GLY   9   2.806  10.740   0.590
   52   2HA   GLY   9           HA2      GLY   9   3.523  12.284   0.109
   53    H    GLU  10           H        GLU  10   0.214  11.351   1.292
   54    HA   GLU  10           HA       GLU  10   0.383  13.653   3.201
   55   1HB   GLU  10           HB2      GLU  10  -1.750  12.887   1.193
   56   2HB   GLU  10           HB3      GLU  10  -2.014  14.133   2.392
   57   1HG   GLU  10           HG2      GLU  10   0.172  14.218   0.240
   58   2HG   GLU  10           HG3      GLU  10  -1.419  14.916   0.153
   59    H    PHE  11           H        PHE  11  -2.310  13.495   4.358
   60    HA   PHE  11           HA       PHE  11  -2.206  10.925   5.629
   61   1HB   PHE  11           HB2      PHE  11  -1.312  12.468   7.030
   62   2HB   PHE  11           HB3      PHE  11  -2.500  13.692   6.697
   63    HD1  PHE  11           HD1      PHE  11  -3.015  10.047   7.617
   64    HD2  PHE  11           HD2      PHE  11  -3.435  14.184   8.784
   65    HE1  PHE  11           HE1      PHE  11  -4.521   9.372   9.457
   66    HE2  PHE  11           HE2      PHE  11  -4.943  13.459  10.627
   67    HZ   PHE  11           HZ       PHE  11  -5.513  11.109  10.937
   68    H    ALA  12           H        ALA  12  -3.761   9.674   5.553
   69    HA   ALA  12           HA       ALA  12  -6.566  10.502   5.040
   70   1HB   ALA  12           HB1      ALA  12  -5.221   7.792   4.888
   71   2HB   ALA  12           HB2      ALA  12  -6.952   8.091   4.643
   72   3HB   ALA  12           HB3      ALA  12  -5.785   8.805   3.529
   73    H    CYS  13           H        CYS  13  -7.616  10.989   6.782
   74    HA   CYS  13           HA       CYS  13  -7.324   9.759   9.444
   75   1HB   CYS  13           HB2      CYS  13  -8.016  12.107   9.090
   76   2HB   CYS  13           HB3      CYS  13  -9.413  11.523   8.172
   77    H    ALA  14           H        ALA  14  -8.324   7.816   9.988
   78    HA   ALA  14           HA       ALA  14 -10.119   6.384   8.337
   79   1HB   ALA  14           HB1      ALA  14  -9.804   6.279  11.360
   80   2HB   ALA  14           HB2      ALA  14 -10.505   5.024  10.326
   81   3HB   ALA  14           HB3      ALA  14  -8.781   5.425  10.184
   82    H    ASN  15           H        ASN  15 -10.883   9.142  10.422
   83    HA   ASN  15           HA       ASN  15 -13.755   8.634  10.417
   84   1HB   ASN  15           HB2      ASN  15 -12.373  10.141  12.014
   85   2HB   ASN  15           HB3      ASN  15 -12.521  11.398  10.809
   86    HD2  ASN  15           HD2      ASN  15 -15.225  11.067   9.962
   87    HD2  ASN  15           HD2      ASN  15 -16.226  11.286  11.422
   88    H    SER  16           H        SER  16 -11.606   9.456   8.009
   89    HA   SER  16           HA       SER  16 -12.045   8.955   5.850
   90   1HB   SER  16           HB2      SER  16 -14.832  10.130   6.117
   91   2HB   SER  16           HB3      SER  16 -14.123   9.442   4.654
   92    HG   SER  16           HG       SER  16 -14.347   8.035   7.104
   93    H    ARG  17           H        ARG  17 -10.445  10.662   6.531
   94    HA   ARG  17           HA       ARG  17 -11.065  13.228   5.027
   95   1HB   ARG  17           HB2      ARG  17  -9.431  13.483   7.527
   96   2HB   ARG  17           HB3      ARG  17 -10.299  14.701   6.660
   97   1HG   ARG  17           HG2      ARG  17 -11.669  12.467   8.239
   98   2HG   ARG  17           HG3      ARG  17 -11.223  14.014   8.916
   99   1HD   ARG  17           HD2      ARG  17 -13.129  13.641   6.569
  100   2HD   ARG  17           HD3      ARG  17 -13.627  13.873   8.239
  101    HE   ARG  17           HE       ARG  17 -12.789  15.892   6.365
  102    HH1  ARG  17           HH1      ARG  17 -12.585  18.043   6.947
  103    HH1  ARG  17           HH1      ARG  17 -12.538  18.479   8.628
  104    HH2  ARG  17           HH2      ARG  17 -12.598  16.935  10.239
  105    HH2  ARG  17           HH2      ARG  17 -12.764  15.258   9.808
  106    H    CYS  18           H        CYS  18  -9.706  14.138   3.636
  107    HA   CYS  18           HA       CYS  18  -6.893  13.218   3.815
  108   1HB   CYS  18           HB2      CYS  18  -6.506  13.087   1.820
  109   2HB   CYS  18           HB3      CYS  18  -8.230  12.794   1.658
  110    H    ILE  19           H        ILE  19  -5.578  14.332   4.742
  111    HA   ILE  19           HA       ILE  19  -5.419  17.276   4.404
  112    HB   ILE  19           HB       ILE  19  -4.660  17.332   6.873
  113    HG2  ILE  19           HG2      ILE  19  -6.928  17.855   7.679
  114    HG2  ILE  19           HG2      ILE  19  -6.565  18.565   6.098
  115    HG2  ILE  19           HG2      ILE  19  -7.611  17.134   6.201
  116    HG1  ILE  19           HG1      ILE  19  -4.865  14.737   7.044
  117    HG1  ILE  19           HG1      ILE  19  -5.215  15.760   8.417
  118    HD1  ILE  19           HD1      ILE  19  -6.788  13.896   8.203
  119    HD1  ILE  19           HD1      ILE  19  -7.597  15.469   8.165
  120    HD1  ILE  19           HD1      ILE  19  -7.368  14.547   6.662
  121    H    GLN  20           H        GLN  20  -3.209  17.878   5.274
  122    HA   GLN  20           HA       GLN  20  -1.385  16.109   3.849
  123   1HB   GLN  20           HB2      GLN  20   0.045  18.185   3.765
  124   2HB   GLN  20           HB3      GLN  20  -1.539  18.376   3.028
  125   1HG   GLN  20           HG2      GLN  20  -1.171  19.163   5.926
  126   2HG   GLN  20           HG3      GLN  20  -0.525  20.216   4.662
  127    HE2  GLN  20           HE2      GLN  20  -2.071  21.288   3.157
  128    HE2  GLN  20           HE2      GLN  20  -3.771  21.305   3.647
  129    H    GLU  21           H        GLU  21   0.721  15.850   4.369
  130    HA   GLU  21           HA       GLU  21   0.960  14.337   6.662
  131   1HB   GLU  21           HB2      GLU  21   2.101  13.917   4.614
  132   2HB   GLU  21           HB3      GLU  21   3.091  15.371   4.752
  133   1HG   GLU  21           HG2      GLU  21   4.505  14.431   6.308
  134   2HG   GLU  21           HG3      GLU  21   3.295  13.370   6.975
  135    H    ARG  22           H        ARG  22   1.624  17.793   6.693
  136    HA   ARG  22           HA       ARG  22   3.246  18.035   9.023
  137   1HB   ARG  22           HB2      ARG  22   2.676  20.092   8.156
  138   2HB   ARG  22           HB3      ARG  22   1.018  19.634   7.823
  139   1HG   ARG  22           HG2      ARG  22   0.720  19.501  10.379
  140   2HG   ARG  22           HG3      ARG  22   2.247  20.369  10.525
  141   1HD   ARG  22           HD2      ARG  22   1.136  22.318  10.044
  142   2HD   ARG  22           HD3      ARG  22   0.191  21.544   8.780
  143    HE   ARG  22           HE       ARG  22  -1.577  21.478  10.244
  144    HH1  ARG  22           HH1      ARG  22  -2.753  20.156  11.711
  145    HH1  ARG  22           HH1      ARG  22  -1.793  19.480  13.021
  146    HH2  ARG  22           HH2      ARG  22   0.033  19.788  13.373
  147    HH2  ARG  22           HH2      ARG  22   1.145  20.833  12.460
  148    H    TRP  23           H        TRP  23  -0.097  16.845   8.669
  149    HA   TRP  23           HA       TRP  23  -0.665  17.180  11.520
  150   1HB   TRP  23           HB2      TRP  23  -2.322  16.095   9.207
  151   2HB   TRP  23           HB3      TRP  23  -2.904  16.584  10.779
  152    HD1  TRP  23           HD1      TRP  23  -0.762  18.748   8.389
  153    HE1  TRP  23           HE1      TRP  23  -2.041  20.830   7.689
  154    HE3  TRP  23           HE3      TRP  23  -5.286  17.663  10.396
  155    HZ2  TRP  23           HZ2      TRP  23  -4.578  22.023   8.168
  156    HZ3  TRP  23           HZ3      TRP  23  -7.144  19.280  10.276
  157    HH2  TRP  23           HH2      TRP  23  -6.806  21.486   9.165
  158    H    LYS  24           H        LYS  24   1.041  14.781   9.692
  159    HA   LYS  24           HA       LYS  24   0.285  12.549  11.378
  160   1HB   LYS  24           HB2      LYS  24   2.524  13.011   9.339
  161   2HB   LYS  24           HB3      LYS  24   2.146  11.491  10.103
  162   1HG   LYS  24           HG2      LYS  24  -0.091  11.464   8.976
  163   2HG   LYS  24           HG3      LYS  24   0.269  13.041   8.317
  164   1HD   LYS  24           HD2      LYS  24   1.262  12.185   6.559
  165   2HD   LYS  24           HD3      LYS  24   2.477  11.410   7.580
  166   1HE   LYS  24           HE2      LYS  24   1.271   9.372   7.640
  167   2HE   LYS  24           HE3      LYS  24  -0.169  10.109   6.892
  168   1HZ   LYS  24           HZ1      LYS  24   2.355  10.369   5.442
  169   2HZ   LYS  24           HZ2      LYS  24   1.600   8.872   5.399
  170   3HZ   LYS  24           HZ3      LYS  24   0.829  10.237   4.876
  171    H    CYS  25           H        CYS  25   1.067  12.562  13.301
  172    HA   CYS  25           HA       CYS  25   2.620  12.284  14.915
  173   1HB   CYS  25           HB2      CYS  25   4.759  13.703  13.299
  174   2HB   CYS  25           HB3      CYS  25   4.988  12.522  14.561
  175    H    ASP  26           H        ASP  26   1.139  15.078  14.424
  176    HA   ASP  26           HA       ASP  26   3.103  16.932  15.665
  177   1HB   ASP  26           HB2      ASP  26   1.403  18.643  15.245
  178   2HB   ASP  26           HB3      ASP  26   1.939  17.841  13.775
  179    H    GLY  27           H        GLY  27   0.941  14.550  16.709
  180   1HA   GLY  27           HA1      GLY  27   0.243  14.097  18.855
  181   2HA   GLY  27           HA2      GLY  27   0.837  15.666  19.405
  182    H    ASP  28           H        ASP  28  -1.270  15.952  16.617
  183    HA   ASP  28           HA       ASP  28  -3.509  16.725  18.447
  184   1HB   ASP  28           HB2      ASP  28  -2.512  18.571  17.118
  185   2HB   ASP  28           HB3      ASP  28  -2.936  17.716  15.634
  186    H    ASN  29           H        ASN  29  -5.287  15.538  18.508
  187    HA   ASN  29           HA       ASN  29  -5.900  13.585  16.451
  188   1HB   ASN  29           HB2      ASN  29  -8.230  14.291  18.060
  189   2HB   ASN  29           HB3      ASN  29  -7.435  12.798  17.729
  190    HD2  ASN  29           HD2      ASN  29  -7.967  12.084  19.903
  191    HD2  ASN  29           HD2      ASN  29  -7.034  12.790  21.241
  192    H    ASP  30           H        ASP  30  -5.369  15.467  14.988
  193    HA   ASP  30           HA       ASP  30  -7.208  17.477  14.239
  194   1HB   ASP  30           HB2      ASP  30  -5.659  17.749  12.542
  195   2HB   ASP  30           HB3      ASP  30  -4.694  16.923  13.763
  196    H    CYS  31           H        CYS  31  -6.898  14.112  13.557
  197    HA   CYS  31           HA       CYS  31  -9.054  13.776  11.735
  198   1HB   CYS  31           HB2      CYS  31  -7.101  12.403  11.801
  199   2HB   CYS  31           HB3      CYS  31  -7.391  11.925  13.470
  200    H    LEU  32           H        LEU  32  -9.249  14.290  15.092
  201    HA   LEU  32           HA       LEU  32 -10.740  13.996  16.696
  202   1HB   LEU  32           HB2      LEU  32 -12.772  14.727  16.199
  203   2HB   LEU  32           HB3      LEU  32 -12.160  14.819  14.561
  204    HG   LEU  32           HG       LEU  32 -13.126  12.362  14.339
  205    HD1  LEU  32           HD1      LEU  32 -15.196  12.046  15.605
  206    HD1  LEU  32           HD1      LEU  32 -13.844  12.140  16.733
  207    HD1  LEU  32           HD1      LEU  32 -14.908  13.544  16.521
  208    HD2  LEU  32           HD2      LEU  32 -15.249  13.342  13.560
  209    HD2  LEU  32           HD2      LEU  32 -14.853  14.868  14.388
  210    HD2  LEU  32           HD2      LEU  32 -13.854  14.291  13.030
  211    H    ASP  33           H        ASP  33 -10.764  11.358  14.419
  212    HA   ASP  33           HA       ASP  33 -11.665   9.230  16.217
  213   1HB   ASP  33           HB2      ASP  33 -12.067   8.656  14.038
  214   2HB   ASP  33           HB3      ASP  33 -10.762   9.630  13.412
  215    H    ASN  34           H        ASN  34  -8.827  10.960  15.598
  216    HA   ASN  34           HA       ASN  34  -6.641  10.833  15.997
  217   1HB   ASN  34           HB2      ASN  34  -7.502  10.592  18.411
  218   2HB   ASN  34           HB3      ASN  34  -7.199   8.868  18.255
  219    HD2  ASN  34           HD2      ASN  34  -5.819  11.476  19.696
  220    HD2  ASN  34           HD2      ASN  34  -4.142  11.016  19.355
  221    H    SER  35           H        SER  35  -6.339   9.980  13.934
  222    HA   SER  35           HA       SER  35  -5.804   7.084  13.814
  223   1HB   SER  35           HB2      SER  35  -6.121   9.243  11.706
  224   2HB   SER  35           HB3      SER  35  -5.320   7.713  11.358
  225    HG   SER  35           HG       SER  35  -7.996   7.726  12.497
  226    H    ASP  36           H        ASP  36  -4.399  10.062  12.803
  227    HA   ASP  36           HA       ASP  36  -1.823   9.689  12.275
  228   1HB   ASP  36           HB2      ASP  36  -1.782  12.134  13.366
  229   2HB   ASP  36           HB3      ASP  36  -2.549  11.808  11.833
  230    H    GLU  37           H        GLU  37  -2.941  10.899  15.309
  231    HA   GLU  37           HA       GLU  37  -0.398  10.490  16.505
  232   1HB   GLU  37           HB2      GLU  37  -2.882  11.460  17.892
  233   2HB   GLU  37           HB3      GLU  37  -1.195  11.815  18.275
  234   1HG   GLU  37           HG2      GLU  37  -2.712  12.580  15.751
  235   2HG   GLU  37           HG3      GLU  37  -2.327  13.615  17.094
  236    H    ALA  38           H        ALA  38  -2.403   7.975  15.951
  237    HA   ALA  38           HA       ALA  38  -1.375   6.586  18.325
  238   1HB   ALA  38           HB1      ALA  38  -3.640   6.008  16.361
  239   2HB   ALA  38           HB2      ALA  38  -3.198   4.996  17.758
  240   3HB   ALA  38           HB3      ALA  38  -3.857   6.637  18.000
  241    HA   PRO  39           HA       PRO  39   1.569   5.067  15.425
  242   1HB   PRO  39           HB2      PRO  39   2.562   2.853  16.665
  243   2HB   PRO  39           HB3      PRO  39   2.697   4.494  17.357
  244   1HG   PRO  39           HG2      PRO  39   0.573   2.405  17.967
  245   2HG   PRO  39           HG3      PRO  39   1.616   3.287  19.133
  246   1HD   PRO  39           HD2      PRO  39  -0.889   4.150  18.550
  247   2HD   PRO  39           HD3      PRO  39   0.452   5.307  18.792
  248    H    ALA  40           H        ALA  40  -1.244   4.113  14.996
  249    HA   ALA  40           HA       ALA  40  -0.847   1.807  13.165
  250   1HB   ALA  40           HB1      ALA  40  -3.162   2.341  12.469
  251   2HB   ALA  40           HB2      ALA  40  -3.077   2.060  14.220
  252   3HB   ALA  40           HB3      ALA  40  -3.196   3.720  13.589
  253    H    LEU  41           H        LEU  41  -0.604   5.297  13.466
  254    HA   LEU  41           HA       LEU  41   0.355   5.465  10.667
  255   1HB   LEU  41           HB2      LEU  41  -1.822   6.623  11.101
  256   2HB   LEU  41           HB3      LEU  41  -1.027   7.675  12.253
  257    HG   LEU  41           HG       LEU  41   0.433   7.474   9.664
  258    HD1  LEU  41           HD1      LEU  41  -1.789   7.251   8.713
  259    HD1  LEU  41           HD1      LEU  41  -2.357   8.627   9.679
  260    HD1  LEU  41           HD1      LEU  41  -1.167   8.884   8.387
  261    HD2  LEU  41           HD2      LEU  41  -0.623  10.084  10.609
  262    HD2  LEU  41           HD2      LEU  41   0.561   9.283  11.638
  263    HD2  LEU  41           HD2      LEU  41   0.958   9.610   9.953
  264    H    CYS  42           H        CYS  42   0.587   7.852  13.503
  265    HA   CYS  42           HA       CYS  42   3.490   7.242  13.443
  266   1HB   CYS  42           HB2      CYS  42   2.827   9.233  12.085
  267   2HB   CYS  42           HB3      CYS  42   2.259  10.002  13.574
  268    H    HIS  43           H        HIS  43   1.071   9.061  15.424
  269    HA   HIS  43           HA       HIS  43   1.176   9.787  17.588
  270   1HB   HIS  43           HB2      HIS  43   0.843   7.405  18.075
  271   2HB   HIS  43           HB3      HIS  43   2.577   7.130  18.110
  272    HD1  HIS  43           HD1      HIS  43  -0.133   8.934  20.069
  273    HD2  HIS  43           HD2      HIS  43   3.870   7.703  20.362
  274    HE1  HIS  43           HE1      HIS  43   0.583   9.285  22.558
  275    H    GLN  44           H        GLN  44   2.327  11.579  17.125
  276    HA   GLN  44           HA       GLN  44   3.788  13.165  17.657
  277   1HB   GLN  44           HB2      GLN  44   3.413  12.208  19.886
  278   2HB   GLN  44           HB3      GLN  44   4.857  11.205  19.700
  279   1HG   GLN  44           HG2      GLN  44   6.269  13.236  19.567
  280   2HG   GLN  44           HG3      GLN  44   4.824  14.253  19.678
  281    HE2  GLN  44           HE2      GLN  44   6.025  11.322  21.551
  282    HE2  GLN  44           HE2      GLN  44   5.824  12.195  23.079
  283    H    HIS  45           H        HIS  45   5.603  14.080  16.930
  284    HA   HIS  45           HA       HIS  45   7.222  12.994  15.030
  285   1HB   HIS  45           HB2      HIS  45   8.602  14.979  15.256
  286   2HB   HIS  45           HB3      HIS  45   6.901  15.382  15.442
  287    HD1  HIS  45           HD1      HIS  45   9.837  14.565  17.785
  288    HD2  HIS  45           HD2      HIS  45   6.396  16.953  17.500
  289    HE1  HIS  45           HE1      HIS  45   9.808  16.097  19.897
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1   1.101  -0.790  -3.417
    2   1HA   GLY   1           HA1      GLY   1   1.214  -0.694  -0.974
    3   2HA   GLY   1           HA2      GLY   1   2.867  -0.617  -1.590
    4    H    SER   2           H        SER   2   1.556   2.236  -2.464
    5    HA   SER   2           HA       SER   2   1.953   3.682   0.115
    6   1HB   SER   2           HB2      SER   2   4.125   3.648  -1.062
    7   2HB   SER   2           HB3      SER   2   3.374   4.493  -2.433
    8    HG   SER   2           HG       SER   2   4.303   5.978  -0.988
    9    HA   PRO   3           HA       PRO   3  -1.728   5.173  -2.170
   10   1HB   PRO   3           HB2      PRO   3  -3.378   5.713  -0.063
   11   2HB   PRO   3           HB3      PRO   3  -3.070   4.055  -0.656
   12   1HG   PRO   3           HG2      PRO   3  -1.736   5.467   1.678
   13   2HG   PRO   3           HG3      PRO   3  -2.443   3.822   1.635
   14   1HD   PRO   3           HD2      PRO   3   0.232   4.296   1.292
   15   2HD   PRO   3           HD3      PRO   3  -0.605   2.962   0.441
   16    HA   PRO   4           HA       PRO   4  -0.489   9.505  -1.555
   17   1HB   PRO   4           HB2      PRO   4  -2.172  10.753  -3.332
   18   2HB   PRO   4           HB3      PRO   4  -0.744   9.803  -3.845
   19   1HG   PRO   4           HG2      PRO   4  -3.634   8.904  -3.739
   20   2HG   PRO   4           HG3      PRO   4  -2.444   8.674  -5.058
   21   1HD   PRO   4           HD2      PRO   4  -2.987   6.724  -3.220
   22   2HD   PRO   4           HD3      PRO   4  -1.344   6.946  -3.894
   23    H    GLN   5           H        GLN   5  -3.965   8.737  -1.610
   24    HA   GLN   5           HA       GLN   5  -5.618   9.067  -0.073
   25   1HB   GLN   5           HB2      GLN   5  -3.631  10.473   1.714
   26   2HB   GLN   5           HB3      GLN   5  -5.167   9.814   2.182
   27   1HG   GLN   5           HG2      GLN   5  -4.319   7.627   2.350
   28   2HG   GLN   5           HG3      GLN   5  -3.195   7.836   1.032
   29    HE2  GLN   5           HE2      GLN   5  -1.392   9.473   1.392
   30    HE2  GLN   5           HE2      GLN   5  -0.752   9.596   3.045
   31    H    CYS   6           H        CYS   6  -3.495  11.898  -0.260
   32    HA   CYS   6           HA       CYS   6  -5.842  13.644  -0.948
   33   1HB   CYS   6           HB2      CYS   6  -4.544  13.794   1.471
   34   2HB   CYS   6           HB3      CYS   6  -3.596  14.919   0.544
   35    H    GLN   7           H        GLN   7  -2.276  13.528  -0.875
   36    HA   GLN   7           HA       GLN   7  -1.986  14.189  -3.697
   37   1HB   GLN   7           HB2      GLN   7  -0.306  15.706  -1.680
   38   2HB   GLN   7           HB3      GLN   7  -0.587  16.053  -3.381
   39   1HG   GLN   7           HG2      GLN   7  -2.963  16.694  -2.805
   40   2HG   GLN   7           HG3      GLN   7  -2.540  16.528  -1.104
   41    HE2  GLN   7           HE2      GLN   7  -0.863  18.026  -0.132
   42    HE2  GLN   7           HE2      GLN   7  -0.606  19.531  -1.053
   43    HA   PRO   8           HA       PRO   8   1.056  11.057  -3.019
   44   1HB   PRO   8           HB2      PRO   8   3.256  11.537  -4.546
   45   2HB   PRO   8           HB3      PRO   8   1.630  11.263  -5.230
   46   1HG   PRO   8           HG2      PRO   8   2.963  13.932  -4.668
   47   2HG   PRO   8           HG3      PRO   8   2.192  13.383  -6.192
   48   1HD   PRO   8           HD2      PRO   8   0.877  14.902  -4.370
   49   2HD   PRO   8           HD3      PRO   8   0.021  13.621  -5.283
   50    H    GLY   9           H        GLY   9   1.046  11.971  -0.753
   51   1HA   GLY   9           HA1      GLY   9   3.235  11.262   0.713
   52   2HA   GLY   9           HA2      GLY   9   3.652  12.921   0.277
   53    H    GLU  10           H        GLU  10   0.415  11.631   1.224
   54    HA   GLU  10           HA       GLU  10   0.347  13.731   3.345
   55   1HB   GLU  10           HB2      GLU  10  -1.722  12.943   1.272
   56   2HB   GLU  10           HB3      GLU  10  -2.038  14.121   2.524
   57   1HG   GLU  10           HG2      GLU  10   0.155  14.403   0.398
   58   2HG   GLU  10           HG3      GLU  10  -1.463  15.046   0.317
   59    H    PHE  11           H        PHE  11  -2.310  13.281   4.412
   60    HA   PHE  11           HA       PHE  11  -2.127  10.617   5.527
   61   1HB   PHE  11           HB2      PHE  11  -1.259  12.162   7.004
   62   2HB   PHE  11           HB3      PHE  11  -2.503  13.336   6.723
   63    HD1  PHE  11           HD1      PHE  11  -3.151   9.688   7.544
   64    HD2  PHE  11           HD2      PHE  11  -3.055  13.771   8.976
   65    HE1  PHE  11           HE1      PHE  11  -4.479   9.048   9.515
   66    HE2  PHE  11           HE2      PHE  11  -4.363  13.088  10.941
   67    HZ   PHE  11           HZ       PHE  11  -5.133  10.778  11.192
   68    H    ALA  12           H        ALA  12  -3.697   9.313   5.276
   69    HA   ALA  12           HA       ALA  12  -6.519  10.146   4.980
   70   1HB   ALA  12           HB1      ALA  12  -6.869   7.620   4.888
   71   2HB   ALA  12           HB2      ALA  12  -6.018   8.353   3.543
   72   3HB   ALA  12           HB3      ALA  12  -5.104   7.473   4.804
   73    H    CYS  13           H        CYS  13  -7.563  10.630   6.720
   74    HA   CYS  13           HA       CYS  13  -7.148   9.518   9.410
   75   1HB   CYS  13           HB2      CYS  13  -7.742  11.861   9.054
   76   2HB   CYS  13           HB3      CYS  13  -9.136  11.357   8.102
   77    H    ALA  14           H        ALA  14  -8.164   7.631  10.062
   78    HA   ALA  14           HA       ALA  14 -10.101   6.258   8.524
   79   1HB   ALA  14           HB1      ALA  14 -10.297   4.807  10.465
   80   2HB   ALA  14           HB2      ALA  14  -8.595   5.216  10.172
   81   3HB   ALA  14           HB3      ALA  14  -9.489   6.006  11.485
   82    H    ASN  15           H        ASN  15 -10.754   9.111  10.410
   83    HA   ASN  15           HA       ASN  15 -13.593   8.490  10.798
   84   1HB   ASN  15           HB2      ASN  15 -12.628  10.306  12.116
   85   2HB   ASN  15           HB3      ASN  15 -12.187  11.210  10.680
   86    HD2  ASN  15           HD2      ASN  15 -15.029   9.941  12.492
   87    HD2  ASN  15           HD2      ASN  15 -16.074  11.200  11.819
   88    H    SER  16           H        SER  16 -11.614   9.551   8.169
   89    HA   SER  16           HA       SER  16 -12.134   8.670   6.022
   90   1HB   SER  16           HB2      SER  16 -14.807  10.098   6.111
   91   2HB   SER  16           HB3      SER  16 -14.137   9.149   4.770
   92    HG   SER  16           HG       SER  16 -14.851   8.305   7.351
   93    H    ARG  17           H        ARG  17 -10.444  10.415   6.660
   94    HA   ARG  17           HA       ARG  17 -11.037  12.921   5.053
   95   1HB   ARG  17           HB2      ARG  17  -9.348  13.318   7.480
   96   2HB   ARG  17           HB3      ARG  17 -10.324  14.449   6.611
   97   1HG   ARG  17           HG2      ARG  17 -11.437  12.250   8.416
   98   2HG   ARG  17           HG3      ARG  17 -11.115  13.897   8.926
   99   1HD   ARG  17           HD2      ARG  17 -13.108  13.082   6.789
  100   2HD   ARG  17           HD3      ARG  17 -13.498  13.487   8.455
  101    HE   ARG  17           HE       ARG  17 -12.350  15.746   7.876
  102    HH1  ARG  17           HH1      ARG  17 -13.100  17.566   6.819
  103    HH1  ARG  17           HH1      ARG  17 -14.237  17.409   5.515
  104    HH2  ARG  17           HH2      ARG  17 -14.978  15.395   4.856
  105    HH2  ARG  17           HH2      ARG  17 -14.359  13.963   5.638
  106    H    CYS  18           H        CYS  18  -9.692  13.847   3.681
  107    HA   CYS  18           HA       CYS  18  -6.873  12.915   3.836
  108   1HB   CYS  18           HB2      CYS  18  -6.466  13.030   1.788
  109   2HB   CYS  18           HB3      CYS  18  -8.155  12.658   1.603
  110    H    ILE  19           H        ILE  19  -5.568  14.005   4.846
  111    HA   ILE  19           HA       ILE  19  -5.524  16.976   4.694
  112    HB   ILE  19           HB       ILE  19  -4.755  16.959   7.115
  113    HG2  ILE  19           HG2      ILE  19  -6.883  17.936   6.527
  114    HG2  ILE  19           HG2      ILE  19  -7.685  16.352   6.540
  115    HG2  ILE  19           HG2      ILE  19  -7.065  17.043   8.050
  116    HG1  ILE  19           HG1      ILE  19  -4.549  14.380   7.152
  117    HG1  ILE  19           HG1      ILE  19  -5.048  15.241   8.578
  118    HD1  ILE  19           HD1      ILE  19  -7.329  14.541   8.362
  119    HD1  ILE  19           HD1      ILE  19  -6.999  13.783   6.787
  120    HD1  ILE  19           HD1      ILE  19  -6.244  13.145   8.250
  121    H    GLN  20           H        GLN  20  -3.316  17.629   5.535
  122    HA   GLN  20           HA       GLN  20  -1.430  16.058   4.015
  123   1HB   GLN  20           HB2      GLN  20  -0.068  18.182   4.140
  124   2HB   GLN  20           HB3      GLN  20  -1.668  18.390   3.422
  125   1HG   GLN  20           HG2      GLN  20  -2.532  19.436   5.436
  126   2HG   GLN  20           HG3      GLN  20  -1.084  19.001   6.341
  127    HE2  GLN  20           HE2      GLN  20  -0.559  20.280   3.086
  128    HE2  GLN  20           HE2      GLN  20  -0.047  21.858   3.694
  129    H    GLU  21           H        GLU  21   0.600  15.588   4.571
  130    HA   GLU  21           HA       GLU  21   0.807  14.089   6.945
  131   1HB   GLU  21           HB2      GLU  21   1.849  13.423   4.950
  132   2HB   GLU  21           HB3      GLU  21   2.817  14.898   4.822
  133   1HG   GLU  21           HG2      GLU  21   4.341  14.208   6.429
  134   2HG   GLU  21           HG3      GLU  21   3.235  13.097   7.198
  135    H    ARG  22           H        ARG  22   1.577  17.388   6.610
  136    HA   ARG  22           HA       ARG  22   3.339  17.873   8.846
  137   1HB   ARG  22           HB2      ARG  22   2.840  19.718   7.515
  138   2HB   ARG  22           HB3      ARG  22   1.114  19.380   7.495
  139   1HG   ARG  22           HG2      ARG  22   0.935  20.035   9.884
  140   2HG   ARG  22           HG3      ARG  22   2.672  20.425   9.908
  141   1HD   ARG  22           HD2      ARG  22   2.395  22.316   8.588
  142   2HD   ARG  22           HD3      ARG  22   1.009  21.640   7.739
  143    HE   ARG  22           HE       ARG  22   0.861  22.546  10.584
  144    HH1  ARG  22           HH1      ARG  22  -0.976  23.555  11.261
  145    HH1  ARG  22           HH1      ARG  22  -2.239  23.936  10.138
  146    HH2  ARG  22           HH2      ARG  22  -2.022  23.509   7.980
  147    HH2  ARG  22           HH2      ARG  22  -0.692  22.571   7.354
  148    H    TRP  23           H        TRP  23  -0.016  16.709   8.805
  149    HA   TRP  23           HA       TRP  23  -0.382  17.210  11.665
  150   1HB   TRP  23           HB2      TRP  23  -2.238  16.056   9.571
  151   2HB   TRP  23           HB3      TRP  23  -2.645  16.710  11.150
  152    HD1  TRP  23           HD1      TRP  23  -0.540  18.918   8.882
  153    HE1  TRP  23           HE1      TRP  23  -1.874  20.889   8.044
  154    HE3  TRP  23           HE3      TRP  23  -5.198  17.378  10.266
  155    HZ2  TRP  23           HZ2      TRP  23  -4.597  21.764   8.032
  156    HZ3  TRP  23           HZ3      TRP  23  -7.152  18.819   9.859
  157    HH2  TRP  23           HH2      TRP  23  -6.878  21.020   8.732
  158    H    LYS  24           H        LYS  24   1.099  14.634   9.857
  159    HA   LYS  24           HA       LYS  24   0.235  12.459  11.592
  160   1HB   LYS  24           HB2      LYS  24   2.446  12.794   9.506
  161   2HB   LYS  24           HB3      LYS  24   2.075  11.301  10.343
  162   1HG   LYS  24           HG2      LYS  24  -0.145  11.187   9.262
  163   2HG   LYS  24           HG3      LYS  24   0.108  12.771   8.578
  164   1HD   LYS  24           HD2      LYS  24   1.176  11.949   6.815
  165   2HD   LYS  24           HD3      LYS  24   2.374  11.153   7.834
  166   1HE   LYS  24           HE2      LYS  24   1.149   9.129   7.873
  167   2HE   LYS  24           HE3      LYS  24  -0.277   9.882   7.117
  168   1HZ   LYS  24           HZ1      LYS  24   2.318  10.060   5.739
  169   2HZ   LYS  24           HZ2      LYS  24   1.432   8.642   5.603
  170   3HZ   LYS  24           HZ3      LYS  24   0.834  10.108   5.112
  171    H    CYS  25           H        CYS  25   1.342  12.047  13.435
  172    HA   CYS  25           HA       CYS  25   2.897  12.083  15.085
  173   1HB   CYS  25           HB2      CYS  25   4.885  13.483  13.259
  174   2HB   CYS  25           HB3      CYS  25   5.245  12.490  14.644
  175    H    ASP  26           H        ASP  26   1.212  14.594  14.411
  176    HA   ASP  26           HA       ASP  26   2.969  16.863  15.104
  177   1HB   ASP  26           HB2      ASP  26   1.546  17.909  13.797
  178   2HB   ASP  26           HB3      ASP  26   0.613  16.473  13.552
  179    H    GLY  27           H        GLY  27   0.473  14.832  16.496
  180   1HA   GLY  27           HA1      GLY  27   0.486  14.341  18.869
  181   2HA   GLY  27           HA2      GLY  27   1.003  15.993  19.212
  182    H    ASP  28           H        ASP  28  -1.426  16.421  16.839
  183    HA   ASP  28           HA       ASP  28  -3.538  16.363  18.922
  184   1HB   ASP  28           HB2      ASP  28  -2.939  18.612  17.941
  185   2HB   ASP  28           HB3      ASP  28  -3.553  18.021  16.391
  186    H    ASN  29           H        ASN  29  -5.508  15.617  18.475
  187    HA   ASN  29           HA       ASN  29  -5.722  13.450  16.492
  188   1HB   ASN  29           HB2      ASN  29  -8.207  14.217  17.915
  189   2HB   ASN  29           HB3      ASN  29  -7.468  12.684  17.612
  190    HD2  ASN  29           HD2      ASN  29  -5.332  12.265  19.036
  191    HD2  ASN  29           HD2      ASN  29  -5.549  12.815  20.715
  192    H    ASP  30           H        ASP  30  -5.109  15.264  14.993
  193    HA   ASP  30           HA       ASP  30  -6.889  17.318  14.177
  194   1HB   ASP  30           HB2      ASP  30  -5.291  17.561  12.459
  195   2HB   ASP  30           HB3      ASP  30  -4.393  16.908  13.828
  196    H    CYS  31           H        CYS  31  -6.708  13.986  13.547
  197    HA   CYS  31           HA       CYS  31  -8.722  13.685  11.546
  198   1HB   CYS  31           HB2      CYS  31  -6.825  12.241  11.801
  199   2HB   CYS  31           HB3      CYS  31  -7.253  11.862  13.469
  200    H    LEU  32           H        LEU  32  -9.134  14.211  14.920
  201    HA   LEU  32           HA       LEU  32 -10.769  13.958  16.396
  202   1HB   LEU  32           HB2      LEU  32 -12.712  14.781  15.756
  203   2HB   LEU  32           HB3      LEU  32 -11.973  14.882  14.176
  204    HG   LEU  32           HG       LEU  32 -13.049  12.450  13.835
  205    HD1  LEU  32           HD1      LEU  32 -13.985  12.280  16.153
  206    HD1  LEU  32           HD1      LEU  32 -14.928  13.751  15.856
  207    HD1  LEU  32           HD1      LEU  32 -15.241  12.278  14.913
  208    HD2  LEU  32           HD2      LEU  32 -14.599  15.064  13.731
  209    HD2  LEU  32           HD2      LEU  32 -13.531  14.407  12.467
  210    HD2  LEU  32           HD2      LEU  32 -15.028  13.564  12.875
  211    H    ASP  33           H        ASP  33 -10.702  11.336  14.094
  212    HA   ASP  33           HA       ASP  33 -11.779   9.257  15.884
  213   1HB   ASP  33           HB2      ASP  33 -12.087   8.569  13.734
  214   2HB   ASP  33           HB3      ASP  33 -10.776   9.538  13.103
  215    H    ASN  34           H        ASN  34  -8.890  10.914  15.401
  216    HA   ASN  34           HA       ASN  34  -6.779  10.851  16.040
  217   1HB   ASN  34           HB2      ASN  34  -7.742  10.587  18.364
  218   2HB   ASN  34           HB3      ASN  34  -7.616   8.838  18.189
  219    HD2  ASN  34           HD2      ASN  34  -5.766   8.047  19.195
  220    HD2  ASN  34           HD2      ASN  34  -4.228   8.942  19.213
  221    H    SER  35           H        SER  35  -6.093  10.015  14.034
  222    HA   SER  35           HA       SER  35  -5.548   7.098  14.011
  223   1HB   SER  35           HB2      SER  35  -6.167   9.093  11.825
  224   2HB   SER  35           HB3      SER  35  -5.192   7.680  11.471
  225    HG   SER  35           HG       SER  35  -7.878   7.540  12.622
  226    H    ASP  36           H        ASP  36  -4.214  10.178  12.984
  227    HA   ASP  36           HA       ASP  36  -1.516   9.707  12.609
  228   1HB   ASP  36           HB2      ASP  36  -1.501  12.126  13.610
  229   2HB   ASP  36           HB3      ASP  36  -2.273  11.849  12.074
  230    H    GLU  37           H        GLU  37  -3.063  10.901  15.542
  231    HA   GLU  37           HA       GLU  37  -0.761   9.994  16.990
  232   1HB   GLU  37           HB2      GLU  37  -2.825  11.605  18.358
  233   2HB   GLU  37           HB3      GLU  37  -1.073  11.590  18.475
  234   1HG   GLU  37           HG2      GLU  37  -2.611  12.553  16.063
  235   2HG   GLU  37           HG3      GLU  37  -2.040  13.601  17.333
  236    H    ALA  38           H        ALA  38  -2.778   7.856  16.032
  237    HA   ALA  38           HA       ALA  38  -2.448   6.468  18.600
  238   1HB   ALA  38           HB1      ALA  38  -3.869   4.762  17.398
  239   2HB   ALA  38           HB2      ALA  38  -4.724   6.298  17.687
  240   3HB   ALA  38           HB3      ALA  38  -4.080   5.940  16.075
  241    HA   PRO  39           HA       PRO  39   1.326   5.498  16.334
  242   1HB   PRO  39           HB2      PRO  39   2.429   3.561  17.930
  243   2HB   PRO  39           HB3      PRO  39   2.273   5.268  18.413
  244   1HG   PRO  39           HG2      PRO  39   0.384   2.980  19.056
  245   2HG   PRO  39           HG3      PRO  39   1.119   4.158  20.194
  246   1HD   PRO  39           HD2      PRO  39  -1.382   4.511  19.214
  247   2HD   PRO  39           HD3      PRO  39  -0.283   5.902  19.437
  248    H    ALA  40           H        ALA  40  -1.156   4.070  15.614
  249    HA   ALA  40           HA       ALA  40  -0.175   1.700  14.101
  250   1HB   ALA  40           HB1      ALA  40  -2.545   1.669  14.837
  251   2HB   ALA  40           HB2      ALA  40  -2.825   3.230  14.028
  252   3HB   ALA  40           HB3      ALA  40  -2.426   1.787  13.069
  253    H    LEU  41           H        LEU  41  -0.556   5.181  14.052
  254    HA   LEU  41           HA       LEU  41   0.650   5.312  11.349
  255   1HB   LEU  41           HB2      LEU  41  -1.646   6.349  11.728
  256   2HB   LEU  41           HB3      LEU  41  -0.875   7.564  12.732
  257    HG   LEU  41           HG       LEU  41   0.114   6.950   9.926
  258    HD1  LEU  41           HD1      LEU  41  -1.982   9.033  10.614
  259    HD1  LEU  41           HD1      LEU  41  -1.251   8.757   9.027
  260    HD1  LEU  41           HD1      LEU  41  -2.284   7.514   9.747
  261    HD2  LEU  41           HD2      LEU  41   0.440   9.382  11.695
  262    HD2  LEU  41           HD2      LEU  41   1.693   8.277  11.064
  263    HD2  LEU  41           HD2      LEU  41   0.843   9.326   9.968
  264    H    CYS  42           H        CYS  42   0.622   7.828  14.090
  265    HA   CYS  42           HA       CYS  42   3.502   7.214  14.308
  266   1HB   CYS  42           HB2      CYS  42   2.857   9.093  12.692
  267   2HB   CYS  42           HB3      CYS  42   2.458  10.027  14.133
  268    H    HIS  43           H        HIS  43   0.974   9.304  15.859
  269    HA   HIS  43           HA       HIS  43   0.884  10.231  17.936
  270   1HB   HIS  43           HB2      HIS  43   0.274   7.949  18.556
  271   2HB   HIS  43           HB3      HIS  43   1.963   7.536  18.794
  272    HD1  HIS  43           HD1      HIS  43   3.199   9.306  20.630
  273    HD2  HIS  43           HD2      HIS  43  -0.897   8.448  20.904
  274    HE1  HIS  43           HE1      HIS  43   2.499   9.747  23.112
  275    H    GLN  44           H        GLN  44   2.079  11.877  17.397
  276    HA   GLN  44           HA       GLN  44   3.685  13.452  17.745
  277   1HB   GLN  44           HB2      GLN  44   3.426  12.036  20.234
  278   2HB   GLN  44           HB3      GLN  44   5.105  12.479  20.072
  279   1HG   GLN  44           HG2      GLN  44   2.879  14.504  19.591
  280   2HG   GLN  44           HG3      GLN  44   3.389  14.074  21.219
  281    HE2  GLN  44           HE2      GLN  44   3.953  16.435  21.428
  282    HE2  GLN  44           HE2      GLN  44   5.537  16.874  20.771
  283    H    HIS  45           H        HIS  45   6.261  13.715  18.307
  284    HA   HIS  45           HA       HIS  45   7.684  12.487  16.146
  285   1HB   HIS  45           HB2      HIS  45   8.217  14.686  17.127
  286   2HB   HIS  45           HB3      HIS  45   8.697  13.915  18.637
  287    HD1  HIS  45           HD1      HIS  45  10.776  12.035  18.204
  288    HD2  HIS  45           HD2      HIS  45  10.193  15.155  15.460
  289    HE1  HIS  45           HE1      HIS  45  13.029  12.335  16.919
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1  -3.578   7.606   6.927
    2   1HA   GLY   1           HA1      GLY   1  -2.179   5.543   7.963
    3   2HA   GLY   1           HA2      GLY   1  -3.657   5.342   7.020
    4    H    SER   2           H        SER   2  -1.343   6.623   5.109
    5    HA   SER   2           HA       SER   2   0.632   5.602   4.071
    6   1HB   SER   2           HB2      SER   2   0.291   3.309   4.704
    7   2HB   SER   2           HB3      SER   2  -1.104   3.163   3.620
    8    HG   SER   2           HG       SER   2   0.894   2.413   2.718
    9    HA   PRO   3           HA       PRO   3  -1.583   5.469  -0.021
   10   1HB   PRO   3           HB2      PRO   3  -4.317   5.832  -0.341
   11   2HB   PRO   3           HB3      PRO   3  -3.502   4.256  -0.122
   12   1HG   PRO   3           HG2      PRO   3  -4.821   5.975   2.001
   13   2HG   PRO   3           HG3      PRO   3  -5.016   4.218   1.717
   14   1HD   PRO   3           HD2      PRO   3  -3.343   5.167   3.605
   15   2HD   PRO   3           HD3      PRO   3  -2.883   3.753   2.609
   16    HA   PRO   4           HA       PRO   4  -1.466   9.885  -0.497
   17   1HB   PRO   4           HB2      PRO   4  -1.239  10.113  -3.188
   18   2HB   PRO   4           HB3      PRO   4  -0.047   9.174  -2.233
   19   1HG   PRO   4           HG2      PRO   4  -2.476   8.096  -3.715
   20   2HG   PRO   4           HG3      PRO   4  -0.763   7.584  -3.892
   21   1HD   PRO   4           HD2      PRO   4  -2.475   6.293  -2.213
   22   2HD   PRO   4           HD3      PRO   4  -0.755   6.541  -1.785
   23    H    GLN   5           H        GLN   5  -3.878   9.389   0.315
   24    HA   GLN   5           HA       GLN   5  -6.099   9.777  -1.393
   25   1HB   GLN   5           HB2      GLN   5  -5.616  10.179   1.571
   26   2HB   GLN   5           HB3      GLN   5  -7.244  10.310   0.872
   27   1HG   GLN   5           HG2      GLN   5  -5.459   7.851   0.879
   28   2HG   GLN   5           HG3      GLN   5  -6.946   8.082   1.798
   29    HE2  GLN   5           HE2      GLN   5  -8.963   8.724   0.163
   30    HE2  GLN   5           HE2      GLN   5  -8.962   7.618  -1.216
   31    H    CYS   6           H        CYS   6  -3.933  12.198  -0.585
   32    HA   CYS   6           HA       CYS   6  -5.915  14.346  -1.248
   33   1HB   CYS   6           HB2      CYS   6  -4.323  14.146   1.109
   34   2HB   CYS   6           HB3      CYS   6  -3.585  15.398   0.142
   35    H    GLN   7           H        GLN   7  -2.391  13.681  -1.171
   36    HA   GLN   7           HA       GLN   7  -2.048  14.239  -4.006
   37   1HB   GLN   7           HB2      GLN   7  -0.186  15.613  -2.040
   38   2HB   GLN   7           HB3      GLN   7  -0.414  15.929  -3.746
   39   1HG   GLN   7           HG2      GLN   7  -2.683  16.888  -3.239
   40   2HG   GLN   7           HG3      GLN   7  -2.316  16.725  -1.522
   41    HE2  GLN   7           HE2      GLN   7  -0.608  18.114  -0.527
   42    HE2  GLN   7           HE2      GLN   7  -0.080  19.499  -1.516
   43    HA   PRO   8           HA       PRO   8   0.830  10.877  -3.296
   44   1HB   PRO   8           HB2      PRO   8   2.959  11.232  -4.943
   45   2HB   PRO   8           HB3      PRO   8   1.305  10.897  -5.524
   46   1HG   PRO   8           HG2      PRO   8   2.648  13.604  -5.249
   47   2HG   PRO   8           HG3      PRO   8   1.799  12.932  -6.680
   48   1HD   PRO   8           HD2      PRO   8   0.564  14.590  -4.955
   49   2HD   PRO   8           HD3      PRO   8  -0.322  13.211  -5.666
   50    H    GLY   9           H        GLY   9   0.959  11.746  -1.085
   51   1HA   GLY   9           HA1      GLY   9   3.174  11.221   0.347
   52   2HA   GLY   9           HA2      GLY   9   3.643  12.800  -0.294
   53    H    GLU  10           H        GLU  10   0.523  11.588   1.036
   54    HA   GLU  10           HA       GLU  10   0.502  13.871   2.949
   55   1HB   GLU  10           HB2      GLU  10  -1.623  13.097   0.920
   56   2HB   GLU  10           HB3      GLU  10  -1.905  14.273   2.191
   57   1HG   GLU  10           HG2      GLU  10   0.267  14.576   0.058
   58   2HG   GLU  10           HG3      GLU  10  -1.358  15.192  -0.043
   59    H    PHE  11           H        PHE  11  -2.071  13.535   4.192
   60    HA   PHE  11           HA       PHE  11  -1.762  10.936   5.370
   61   1HB   PHE  11           HB2      PHE  11  -0.981  12.537   6.806
   62   2HB   PHE  11           HB3      PHE  11  -2.297  13.635   6.546
   63    HD1  PHE  11           HD1      PHE  11  -2.482   9.910   7.280
   64    HD2  PHE  11           HD2      PHE  11  -3.091  13.915   8.786
   65    HE1  PHE  11           HE1      PHE  11  -3.864   9.018   9.114
   66    HE2  PHE  11           HE2      PHE  11  -4.474  13.000  10.600
   67    HZ   PHE  11           HZ       PHE  11  -4.907  10.584  10.743
   68    H    ALA  12           H        ALA  12  -3.193   9.566   5.205
   69    HA   ALA  12           HA       ALA  12  -6.027  10.167   4.613
   70   1HB   ALA  12           HB1      ALA  12  -6.131   7.776   4.037
   71   2HB   ALA  12           HB2      ALA  12  -4.789   8.562   3.166
   72   3HB   ALA  12           HB3      ALA  12  -4.457   7.545   4.573
   73    H    CYS  13           H        CYS  13  -7.212  10.483   6.357
   74    HA   CYS  13           HA       CYS  13  -6.777   9.243   8.983
   75   1HB   CYS  13           HB2      CYS  13  -7.507  11.555   8.759
   76   2HB   CYS  13           HB3      CYS  13  -8.899  11.015   7.803
   77    H    ALA  14           H        ALA  14  -7.595   7.276   9.460
   78    HA   ALA  14           HA       ALA  14  -9.423   5.731   8.019
   79   1HB   ALA  14           HB1      ALA  14  -8.864   5.755  11.014
   80   2HB   ALA  14           HB2      ALA  14  -9.549   4.412  10.079
   81   3HB   ALA  14           HB3      ALA  14  -7.879   4.932   9.784
   82    H    ASN  15           H        ASN  15 -10.257   8.517  10.028
   83    HA   ASN  15           HA       ASN  15 -13.044   7.709  10.391
   84   1HB   ASN  15           HB2      ASN  15 -11.817   9.400  11.833
   85   2HB   ASN  15           HB3      ASN  15 -11.940  10.553  10.499
   86    HD2  ASN  15           HD2      ASN  15 -13.908  11.714  10.283
   87    HD2  ASN  15           HD2      ASN  15 -15.292  11.275  11.293
   88    H    SER  16           H        SER  16 -11.208   9.037   7.816
   89    HA   SER  16           HA       SER  16 -11.870   8.462   5.628
   90   1HB   SER  16           HB2      SER  16 -14.508   9.903   6.018
   91   2HB   SER  16           HB3      SER  16 -13.937   9.065   4.565
   92    HG   SER  16           HG       SER  16 -14.539   8.017   7.098
   93    H    ARG  17           H        ARG  17 -10.111  10.149   6.339
   94    HA   ARG  17           HA       ARG  17 -10.768  12.733   4.888
   95   1HB   ARG  17           HB2      ARG  17  -9.067  13.011   7.321
   96   2HB   ARG  17           HB3      ARG  17  -9.975  14.210   6.476
   97   1HG   ARG  17           HG2      ARG  17 -11.153  12.026   8.257
   98   2HG   ARG  17           HG3      ARG  17 -10.812  13.676   8.736
   99   1HD   ARG  17           HD2      ARG  17 -12.994  12.701   6.883
  100   2HD   ARG  17           HD3      ARG  17 -13.134  13.533   8.407
  101    HE   ARG  17           HE       ARG  17 -12.405  15.579   7.403
  102    HH1  ARG  17           HH1      ARG  17 -12.684  17.023   5.748
  103    HH1  ARG  17           HH1      ARG  17 -13.046  16.461   4.148
  104    HH2  ARG  17           HH2      ARG  17 -13.302  14.299   3.709
  105    HH2  ARG  17           HH2      ARG  17 -13.010  13.089   4.927
  106    H    CYS  18           H        CYS  18  -9.505  13.773   3.559
  107    HA   CYS  18           HA       CYS  18  -6.642  12.962   3.594
  108   1HB   CYS  18           HB2      CYS  18  -6.320  13.278   1.534
  109   2HB   CYS  18           HB3      CYS  18  -8.001  12.889   1.349
  110    H    ILE  19           H        ILE  19  -5.370  14.099   4.663
  111    HA   ILE  19           HA       ILE  19  -5.445  17.067   4.569
  112    HB   ILE  19           HB       ILE  19  -4.518  16.933   6.998
  113    HG2  ILE  19           HG2      ILE  19  -7.500  16.657   6.500
  114    HG2  ILE  19           HG2      ILE  19  -6.740  17.281   7.985
  115    HG2  ILE  19           HG2      ILE  19  -6.534  18.145   6.452
  116    HG1  ILE  19           HG1      ILE  19  -4.582  14.344   6.933
  117    HG1  ILE  19           HG1      ILE  19  -4.961  15.199   8.402
  118    HD1  ILE  19           HD1      ILE  19  -6.394  13.291   8.098
  119    HD1  ILE  19           HD1      ILE  19  -7.331  14.789   8.162
  120    HD1  ILE  19           HD1      ILE  19  -7.054  13.970   6.606
  121    H    GLN  20           H        GLN  20  -3.207  17.784   5.342
  122    HA   GLN  20           HA       GLN  20  -1.361  16.227   3.732
  123   1HB   GLN  20           HB2      GLN  20  -0.057  18.380   3.724
  124   2HB   GLN  20           HB3      GLN  20  -1.704  18.533   3.102
  125   1HG   GLN  20           HG2      GLN  20  -2.466  19.584   5.165
  126   2HG   GLN  20           HG3      GLN  20  -0.931  19.230   5.957
  127    HE2  GLN  20           HE2      GLN  20  -0.642  20.415   2.650
  128    HE2  GLN  20           HE2      GLN  20  -0.201  22.043   3.172
  129    H    GLU  21           H        GLU  21   0.749  15.916   4.185
  130    HA   GLU  21           HA       GLU  21   1.143  14.422   6.514
  131   1HB   GLU  21           HB2      GLU  21   2.126  13.904   4.419
  132   2HB   GLU  21           HB3      GLU  21   3.035  15.413   4.350
  133   1HG   GLU  21           HG2      GLU  21   4.643  14.687   5.843
  134   2HG   GLU  21           HG3      GLU  21   3.598  13.528   6.622
  135    H    ARG  22           H        ARG  22   1.716  17.754   6.208
  136    HA   ARG  22           HA       ARG  22   3.468  18.338   8.417
  137   1HB   ARG  22           HB2      ARG  22   2.844  20.162   7.152
  138   2HB   ARG  22           HB3      ARG  22   1.154  19.691   7.079
  139   1HG   ARG  22           HG2      ARG  22   0.843  20.308   9.454
  140   2HG   ARG  22           HG3      ARG  22   2.546  20.825   9.547
  141   1HD   ARG  22           HD2      ARG  22   2.180  22.696   8.212
  142   2HD   ARG  22           HD3      ARG  22   0.865  21.928   7.330
  143    HE   ARG  22           HE       ARG  22   0.584  22.816  10.170
  144    HH1  ARG  22           HH1      ARG  22  -1.331  23.707  10.799
  145    HH1  ARG  22           HH1      ARG  22  -2.585  24.006   9.643
  146    HH2  ARG  22           HH2      ARG  22  -2.290  23.587   7.493
  147    HH2  ARG  22           HH2      ARG  22  -0.885  22.748   6.901
  148    H    TRP  23           H        TRP  23   0.225  16.894   8.460
  149    HA   TRP  23           HA       TRP  23  -0.046  17.267  11.350
  150   1HB   TRP  23           HB2      TRP  23  -1.951  16.116   9.294
  151   2HB   TRP  23           HB3      TRP  23  -2.311  16.683  10.909
  152    HD1  TRP  23           HD1      TRP  23  -0.504  18.874   8.272
  153    HE1  TRP  23           HE1      TRP  23  -1.921  20.883   7.692
  154    HE3  TRP  23           HE3      TRP  23  -4.745  17.585  10.748
  155    HZ2  TRP  23           HZ2      TRP  23  -4.590  21.813   8.166
  156    HZ3  TRP  23           HZ3      TRP  23  -6.752  19.024  10.638
  157    HH2  TRP  23           HH2      TRP  23  -6.691  21.154   9.349
  158    H    LYS  24           H        LYS  24   1.566  14.892   9.449
  159    HA   LYS  24           HA       LYS  24   0.785  12.577  11.037
  160   1HB   LYS  24           HB2      LYS  24   2.941  13.151   8.943
  161   2HB   LYS  24           HB3      LYS  24   2.716  11.594   9.713
  162   1HG   LYS  24           HG2      LYS  24   0.412  11.431   8.749
  163   2HG   LYS  24           HG3      LYS  24   0.595  13.048   8.116
  164   1HD   LYS  24           HD2      LYS  24   1.558  12.317   6.261
  165   2HD   LYS  24           HD3      LYS  24   2.843  11.524   7.176
  166   1HE   LYS  24           HE2      LYS  24   1.684   9.464   7.212
  167   2HE   LYS  24           HE3      LYS  24   0.190  10.196   6.583
  168   1HZ   LYS  24           HZ1      LYS  24   2.632  10.560   5.010
  169   2HZ   LYS  24           HZ2      LYS  24   1.913   9.057   4.946
  170   3HZ   LYS  24           HZ3      LYS  24   1.091  10.419   4.498
  171    H    CYS  25           H        CYS  25   1.481  12.530  13.063
  172    HA   CYS  25           HA       CYS  25   2.504  13.184  14.942
  173   1HB   CYS  25           HB2      CYS  25   4.922  12.809  15.190
  174   2HB   CYS  25           HB3      CYS  25   3.927  11.444  14.740
  175    H    ASP  26           H        ASP  26   1.630  15.356  13.873
  176    HA   ASP  26           HA       ASP  26   3.617  17.274  14.937
  177   1HB   ASP  26           HB2      ASP  26   1.645  18.820  14.875
  178   2HB   ASP  26           HB3      ASP  26   2.007  18.172  13.252
  179    H    GLY  27           H        GLY  27   0.919  15.087  15.881
  180   1HA   GLY  27           HA1      GLY  27   0.747  14.385  18.169
  181   2HA   GLY  27           HA2      GLY  27   1.229  15.979  18.721
  182    H    ASP  28           H        ASP  28  -0.933  16.914  16.313
  183    HA   ASP  28           HA       ASP  28  -3.155  16.937  18.226
  184   1HB   ASP  28           HB2      ASP  28  -2.476  18.942  16.807
  185   2HB   ASP  28           HB3      ASP  28  -3.173  18.080  15.424
  186    H    ASN  29           H        ASN  29  -5.086  16.173  17.871
  187    HA   ASN  29           HA       ASN  29  -5.298  13.445  17.639
  188   1HB   ASN  29           HB2      ASN  29  -7.525  15.503  17.198
  189   2HB   ASN  29           HB3      ASN  29  -7.766  13.852  17.662
  190    HD2  ASN  29           HD2      ASN  29  -6.367  13.142  19.692
  191    HD2  ASN  29           HD2      ASN  29  -6.529  14.312  21.035
  192    H    ASP  30           H        ASP  30  -4.626  14.565  14.657
  193    HA   ASP  30           HA       ASP  30  -6.731  16.188  14.669
  194   1HB   ASP  30           HB2      ASP  30  -5.706  17.116  12.696
  195   2HB   ASP  30           HB3      ASP  30  -4.441  16.558  13.778
  196    H    CYS  31           H        CYS  31  -6.417  13.294  13.120
  197    HA   CYS  31           HA       CYS  31  -8.650  13.071  11.417
  198   1HB   CYS  31           HB2      CYS  31  -6.638  11.704  11.388
  199   2HB   CYS  31           HB3      CYS  31  -6.880  11.175  13.040
  200    H    LEU  32           H        LEU  32  -8.596  13.274  14.784
  201    HA   LEU  32           HA       LEU  32 -10.118  13.223  16.416
  202   1HB   LEU  32           HB2      LEU  32 -12.160  13.912  15.973
  203   2HB   LEU  32           HB3      LEU  32 -11.667  13.900  14.297
  204    HG   LEU  32           HG       LEU  32 -12.607  11.416  14.284
  205    HD1  LEU  32           HD1      LEU  32 -13.139  11.314  16.737
  206    HD1  LEU  32           HD1      LEU  32 -14.231  12.695  16.536
  207    HD1  LEU  32           HD1      LEU  32 -14.575  11.149  15.727
  208    HD2  LEU  32           HD2      LEU  32 -14.802  12.309  13.629
  209    HD2  LEU  32           HD2      LEU  32 -14.381  13.886  14.339
  210    HD2  LEU  32           HD2      LEU  32 -13.477  13.259  12.940
  211    H    ASP  33           H        ASP  33 -10.132  10.545  14.226
  212    HA   ASP  33           HA       ASP  33 -10.676   8.421  16.177
  213   1HB   ASP  33           HB2      ASP  33 -11.110   7.627  14.085
  214   2HB   ASP  33           HB3      ASP  33 -10.015   8.731  13.294
  215    H    ASN  34           H        ASN  34  -8.026  10.373  15.127
  216    HA   ASN  34           HA       ASN  34  -5.917  10.659  15.610
  217   1HB   ASN  34           HB2      ASN  34  -5.947   8.672  17.918
  218   2HB   ASN  34           HB3      ASN  34  -4.865  10.029  17.665
  219    HD2  ASN  34           HD2      ASN  34  -8.217   9.154  18.340
  220    HD2  ASN  34           HD2      ASN  34  -8.587  10.597  19.317
  221    H    SER  35           H        SER  35  -5.378   9.754  13.598
  222    HA   SER  35           HA       SER  35  -4.713   6.847  13.588
  223   1HB   SER  35           HB2      SER  35  -5.614   8.786  11.466
  224   2HB   SER  35           HB3      SER  35  -4.544   7.467  11.005
  225    HG   SER  35           HG       SER  35  -7.059   7.075  12.431
  226    H    ASP  36           H        ASP  36  -3.608   9.939  12.398
  227    HA   ASP  36           HA       ASP  36  -0.877   9.711  11.997
  228   1HB   ASP  36           HB2      ASP  36  -1.107  12.127  12.949
  229   2HB   ASP  36           HB3      ASP  36  -1.893  11.745  11.443
  230    H    GLU  37           H        GLU  37  -2.527  10.700  14.920
  231    HA   GLU  37           HA       GLU  37  -0.138  10.233  16.408
  232   1HB   GLU  37           HB2      GLU  37  -2.684  11.312  17.546
  233   2HB   GLU  37           HB3      GLU  37  -0.995  11.575  18.045
  234   1HG   GLU  37           HG2      GLU  37  -2.249  12.490  15.482
  235   2HG   GLU  37           HG3      GLU  37  -1.926  13.521  16.861
  236    H    ALA  38           H        ALA  38  -1.919   7.730  15.427
  237    HA   ALA  38           HA       ALA  38  -1.328   6.380  17.969
  238   1HB   ALA  38           HB1      ALA  38  -3.029   5.723  15.523
  239   2HB   ALA  38           HB2      ALA  38  -2.644   4.551  16.815
  240   3HB   ALA  38           HB3      ALA  38  -3.615   5.999  17.177
  241    HA   PRO  39           HA       PRO  39   2.370   5.467  15.578
  242   1HB   PRO  39           HB2      PRO  39   3.492   3.449  17.051
  243   2HB   PRO  39           HB3      PRO  39   3.336   5.129  17.635
  244   1HG   PRO  39           HG2      PRO  39   1.444   2.809  18.160
  245   2HG   PRO  39           HG3      PRO  39   2.214   3.899  19.364
  246   1HD   PRO  39           HD2      PRO  39  -0.295   4.360  18.457
  247   2HD   PRO  39           HD3      PRO  39   0.835   5.720  18.727
  248    H    ALA  40           H        ALA  40  -0.128   4.168  14.753
  249    HA   ALA  40           HA       ALA  40   0.813   1.876  13.111
  250   1HB   ALA  40           HB1      ALA  40  -1.818   3.441  13.154
  251   2HB   ALA  40           HB2      ALA  40  -1.440   2.068  12.090
  252   3HB   ALA  40           HB3      ALA  40  -1.560   1.821  13.844
  253    H    LEU  41           H        LEU  41   0.502   5.360  13.336
  254    HA   LEU  41           HA       LEU  41   1.618   5.682  10.618
  255   1HB   LEU  41           HB2      LEU  41  -0.720   6.557  11.096
  256   2HB   LEU  41           HB3      LEU  41   0.004   7.760  12.148
  257    HG   LEU  41           HG       LEU  41   1.015   7.371   9.319
  258    HD1  LEU  41           HD1      LEU  41  -1.456   7.683   9.190
  259    HD1  LEU  41           HD1      LEU  41  -1.258   9.255   9.982
  260    HD1  LEU  41           HD1      LEU  41  -0.516   8.959   8.407
  261    HD2  LEU  41           HD2      LEU  41   1.027   9.835  11.062
  262    HD2  LEU  41           HD2      LEU  41   2.411   8.806  10.626
  263    HD2  LEU  41           HD2      LEU  41   1.597   9.688   9.381
  264    H    CYS  42           H        CYS  42   1.530   8.108  13.428
  265    HA   CYS  42           HA       CYS  42   4.421   7.480  13.671
  266   1HB   CYS  42           HB2      CYS  42   4.221   9.112  11.848
  267   2HB   CYS  42           HB3      CYS  42   3.412  10.222  12.941
  268    H    HIS  43           H        HIS  43   1.806   9.565  15.106
  269    HA   HIS  43           HA       HIS  43   1.596  10.440  17.199
  270   1HB   HIS  43           HB2      HIS  43   1.166   8.041  17.523
  271   2HB   HIS  43           HB3      HIS  43   2.859   7.755  17.857
  272    HD1  HIS  43           HD1      HIS  43   2.857   7.009  20.269
  273    HD2  HIS  43           HD2      HIS  43   0.477  10.401  19.555
  274    HE1  HIS  43           HE1      HIS  43   1.882   7.712  22.536
  275    H    GLN  44           H        GLN  44   2.646  12.295  17.307
  276    HA   GLN  44           HA       GLN  44   5.472  12.409  18.015
  277   1HB   GLN  44           HB2      GLN  44   4.475  14.245  16.815
  278   2HB   GLN  44           HB3      GLN  44   3.421  14.635  18.177
  279   1HG   GLN  44           HG2      GLN  44   5.144  15.568  19.413
  280   2HG   GLN  44           HG3      GLN  44   6.347  14.441  18.798
  281    HE2  GLN  44           HE2      GLN  44   4.334  17.236  17.418
  282    HE2  GLN  44           HE2      GLN  44   5.787  17.790  16.564
  283    H    HIS  45           H        HIS  45   5.531  10.944  19.700
  284    HA   HIS  45           HA       HIS  45   5.041  12.136  22.413
  285   1HB   HIS  45           HB2      HIS  45   3.416  10.403  21.742
  286   2HB   HIS  45           HB3      HIS  45   4.723   9.237  21.551
  287    HD1  HIS  45           HD1      HIS  45   6.226   9.146  24.035
  288    HD2  HIS  45           HD2      HIS  45   2.145  10.120  23.978
  289    HE1  HIS  45           HE1      HIS  45   5.287   8.591  26.412
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1   2.416   1.990  -6.760
    2   1HA   GLY   1           HA1      GLY   1   2.543   0.304  -4.971
    3   2HA   GLY   1           HA2      GLY   1   4.087   1.159  -5.046
    4    H    SER   2           H        SER   2   1.932   3.380  -3.864
    5    HA   SER   2           HA       SER   2   1.907   2.502  -1.054
    6   1HB   SER   2           HB2      SER   2   2.984   4.565  -0.259
    7   2HB   SER   2           HB3      SER   2   4.073   3.665  -1.325
    8    HG   SER   2           HG       SER   2   4.025   5.899  -1.828
    9    HA   PRO   3           HA       PRO   3  -1.903   4.810  -1.213
   10   1HB   PRO   3           HB2      PRO   3  -2.410   5.445   1.382
   11   2HB   PRO   3           HB3      PRO   3  -2.446   3.770   0.762
   12   1HG   PRO   3           HG2      PRO   3  -0.177   5.158   2.224
   13   2HG   PRO   3           HG3      PRO   3  -0.871   3.536   2.535
   14   1HD   PRO   3           HD2      PRO   3   1.382   3.915   1.030
   15   2HD   PRO   3           HD3      PRO   3   0.217   2.606   0.674
   16    HA   PRO   4           HA       PRO   4  -0.098   9.015  -1.405
   17   1HB   PRO   4           HB2      PRO   4  -1.975  10.213  -3.020
   18   2HB   PRO   4           HB3      PRO   4  -0.750   9.062  -3.636
   19   1HG   PRO   4           HG2      PRO   4  -3.640   8.506  -2.923
   20   2HG   PRO   4           HG3      PRO   4  -2.736   8.005  -4.384
   21   1HD   PRO   4           HD2      PRO   4  -3.096   6.354  -2.230
   22   2HD   PRO   4           HD3      PRO   4  -1.615   6.305  -3.231
   23    H    GLN   5           H        GLN   5  -3.557   8.618  -0.917
   24    HA   GLN   5           HA       GLN   5  -4.937   9.009   0.776
   25   1HB   GLN   5           HB2      GLN   5  -2.569  10.144   2.292
   26   2HB   GLN   5           HB3      GLN   5  -4.170   9.829   2.938
   27   1HG   GLN   5           HG2      GLN   5  -3.856   7.404   2.089
   28   2HG   GLN   5           HG3      GLN   5  -2.152   7.826   1.892
   29    HE2  GLN   5           HE2      GLN   5  -3.092   5.686   3.598
   30    HE2  GLN   5           HE2      GLN   5  -2.726   6.232   5.238
   31    H    CYS   6           H        CYS   6  -3.199  11.863  -0.309
   32    HA   CYS   6           HA       CYS   6  -5.796  13.298  -0.513
   33   1HB   CYS   6           HB2      CYS   6  -4.594  13.814   1.789
   34   2HB   CYS   6           HB3      CYS   6  -3.525  14.778   0.818
   35    H    GLN   7           H        GLN   7  -2.333  13.634  -0.801
   36    HA   GLN   7           HA       GLN   7  -2.421  14.209  -3.666
   37   1HB   GLN   7           HB2      GLN   7  -0.434  15.646  -1.889
   38   2HB   GLN   7           HB3      GLN   7  -0.968  16.038  -3.526
   39   1HG   GLN   7           HG2      GLN   7  -3.247  16.649  -2.541
   40   2HG   GLN   7           HG3      GLN   7  -2.529  16.489  -0.954
   41    HE2  GLN   7           HE2      GLN   7  -0.673  17.926  -0.280
   42    HE2  GLN   7           HE2      GLN   7  -0.568  19.454  -1.194
   43    HA   PRO   8           HA       PRO   8   0.559  10.958  -3.399
   44   1HB   PRO   8           HB2      PRO   8   2.772  11.423  -4.897
   45   2HB   PRO   8           HB3      PRO   8   1.127  11.346  -5.586
   46   1HG   PRO   8           HG2      PRO   8   2.671  13.832  -4.781
   47   2HG   PRO   8           HG3      PRO   8   1.843  13.502  -6.337
   48   1HD   PRO   8           HD2      PRO   8   0.684  14.925  -4.324
   49   2HD   PRO   8           HD3      PRO   8  -0.287  13.852  -5.381
   50    H    GLY   9           H        GLY   9   0.619  11.671  -1.009
   51   1HA   GLY   9           HA1      GLY   9   2.686  10.671   0.377
   52   2HA   GLY   9           HA2      GLY   9   3.369  12.250  -0.033
   53    H    GLU  10           H        GLU  10   0.026  11.372   1.120
   54    HA   GLU  10           HA       GLU  10   0.364  13.505   3.192
   55   1HB   GLU  10           HB2      GLU  10  -1.863  12.961   1.212
   56   2HB   GLU  10           HB3      GLU  10  -2.019  14.159   2.471
   57   1HG   GLU  10           HG2      GLU  10   0.079  14.212   0.231
   58   2HG   GLU  10           HG3      GLU  10  -1.463  15.027   0.273
   59    H    PHE  11           H        PHE  11  -2.360  13.373   4.343
   60    HA   PHE  11           HA       PHE  11  -2.297  10.750   5.514
   61   1HB   PHE  11           HB2      PHE  11  -1.294  12.296   6.891
   62   2HB   PHE  11           HB3      PHE  11  -2.541  13.476   6.703
   63    HD1  PHE  11           HD1      PHE  11  -3.016   9.798   7.477
   64    HD2  PHE  11           HD2      PHE  11  -3.203  13.880   8.906
   65    HE1  PHE  11           HE1      PHE  11  -4.427   9.077   9.359
   66    HE2  PHE  11           HE2      PHE  11  -4.604  13.138  10.790
   67    HZ   PHE  11           HZ       PHE  11  -5.270  10.744  10.980
   68    H    ALA  12           H        ALA  12  -3.905   9.552   5.465
   69    HA   ALA  12           HA       ALA  12  -6.697  10.508   5.146
   70   1HB   ALA  12           HB1      ALA  12  -6.064   8.832   3.539
   71   2HB   ALA  12           HB2      ALA  12  -5.507   7.744   4.842
   72   3HB   ALA  12           HB3      ALA  12  -7.225   8.151   4.682
   73    H    CYS  13           H        CYS  13  -7.633  10.973   6.967
   74    HA   CYS  13           HA       CYS  13  -7.263   9.534   9.540
   75   1HB   CYS  13           HB2      CYS  13  -7.917  11.958   9.340
   76   2HB   CYS  13           HB3      CYS  13  -9.462  11.389   8.671
   77    H    ALA  14           H        ALA  14  -8.283   7.581   9.920
   78    HA   ALA  14           HA       ALA  14  -9.983   6.310   8.068
   79   1HB   ALA  14           HB1      ALA  14  -9.675   5.846  11.059
   80   2HB   ALA  14           HB2      ALA  14 -10.380   4.704   9.889
   81   3HB   ALA  14           HB3      ALA  14  -8.666   5.150   9.770
   82    H    ASN  15           H        ASN  15 -10.916   8.611  10.620
   83    HA   ASN  15           HA       ASN  15 -13.692   8.272  10.560
   84   1HB   ASN  15           HB2      ASN  15 -12.384   9.705  12.116
   85   2HB   ASN  15           HB3      ASN  15 -12.048  10.843  10.819
   86    HD2  ASN  15           HD2      ASN  15 -14.837   9.220  12.474
   87    HD2  ASN  15           HD2      ASN  15 -15.849  10.658  12.384
   88    H    SER  16           H        SER  16 -11.670   9.609   8.109
   89    HA   SER  16           HA       SER  16 -12.296   9.026   5.904
   90   1HB   SER  16           HB2      SER  16 -14.852  10.626   6.191
   91   2HB   SER  16           HB3      SER  16 -14.288   9.744   4.761
   92    HG   SER  16           HG       SER  16 -15.016   8.746   7.281
   93    H    ARG  17           H        ARG  17 -10.502  10.750   6.799
   94    HA   ARG  17           HA       ARG  17 -11.046  13.351   5.346
   95   1HB   ARG  17           HB2      ARG  17  -9.376  13.318   7.843
   96   2HB   ARG  17           HB3      ARG  17 -10.201  14.655   7.070
   97   1HG   ARG  17           HG2      ARG  17 -12.392  13.734   7.691
   98   2HG   ARG  17           HG3      ARG  17 -11.645  12.317   8.427
   99   1HD   ARG  17           HD2      ARG  17 -10.495  13.501  10.023
  100   2HD   ARG  17           HD3      ARG  17 -10.959  15.093   9.375
  101    HE   ARG  17           HE       ARG  17 -12.927  13.105  10.530
  102    HH1  ARG  17           HH1      ARG  17 -14.668  13.727  11.350
  103    HH1  ARG  17           HH1      ARG  17 -15.100  15.425  11.576
  104    HH2  ARG  17           HH2      ARG  17 -13.582  17.010  10.891
  105    HH2  ARG  17           HH2      ARG  17 -12.060  16.493  10.212
  106    H    CYS  18           H        CYS  18  -9.742  14.206   3.904
  107    HA   CYS  18           HA       CYS  18  -6.943  13.253   3.978
  108   1HB   CYS  18           HB2      CYS  18  -6.568  13.270   1.988
  109   2HB   CYS  18           HB3      CYS  18  -8.296  12.981   1.824
  110    H    ILE  19           H        ILE  19  -5.569  14.294   4.906
  111    HA   ILE  19           HA       ILE  19  -5.376  17.255   4.684
  112    HB   ILE  19           HB       ILE  19  -4.372  17.132   7.072
  113    HG2  ILE  19           HG2      ILE  19  -6.308  18.470   6.581
  114    HG2  ILE  19           HG2      ILE  19  -7.381  17.060   6.685
  115    HG2  ILE  19           HG2      ILE  19  -6.533  17.651   8.136
  116    HG1  ILE  19           HG1      ILE  19  -4.671  14.524   7.070
  117    HG1  ILE  19           HG1      ILE  19  -4.786  15.468   8.524
  118    HD1  ILE  19           HD1      ILE  19  -7.218  14.485   6.986
  119    HD1  ILE  19           HD1      ILE  19  -6.486  13.678   8.382
  120    HD1  ILE  19           HD1      ILE  19  -7.203  15.282   8.577
  121    H    GLN  20           H        GLN  20  -3.124  17.829   5.206
  122    HA   GLN  20           HA       GLN  20  -1.327  16.041   3.811
  123   1HB   GLN  20           HB2      GLN  20   0.136  18.099   3.766
  124   2HB   GLN  20           HB3      GLN  20  -1.474  18.368   3.080
  125   1HG   GLN  20           HG2      GLN  20  -2.211  19.467   5.172
  126   2HG   GLN  20           HG3      GLN  20  -0.664  19.091   5.916
  127    HE2  GLN  20           HE2      GLN  20  -0.219  20.137   2.642
  128    HE2  GLN  20           HE2      GLN  20   0.188  21.794   3.100
  129    H    GLU  21           H        GLU  21   0.665  15.469   4.480
  130    HA   GLU  21           HA       GLU  21   0.682  14.155   6.974
  131   1HB   GLU  21           HB2      GLU  21   1.780  13.276   5.071
  132   2HB   GLU  21           HB3      GLU  21   2.818  14.687   4.874
  133   1HG   GLU  21           HG2      GLU  21   4.238  14.090   6.611
  134   2HG   GLU  21           HG3      GLU  21   3.065  13.074   7.412
  135    H    ARG  22           H        ARG  22   1.894  17.312   6.313
  136    HA   ARG  22           HA       ARG  22   3.495  17.961   8.584
  137   1HB   ARG  22           HB2      ARG  22   3.172  19.648   7.020
  138   2HB   ARG  22           HB3      ARG  22   1.429  19.421   6.968
  139   1HG   ARG  22           HG2      ARG  22   1.218  20.367   9.257
  140   2HG   ARG  22           HG3      ARG  22   2.976  20.651   9.299
  141   1HD   ARG  22           HD2      ARG  22   2.837  22.335   7.652
  142   2HD   ARG  22           HD3      ARG  22   1.316  21.696   7.023
  143    HE   ARG  22           HE       ARG  22   1.498  22.932   9.736
  144    HH1  ARG  22           HH1      ARG  22  -0.167  24.195  10.425
  145    HH1  ARG  22           HH1      ARG  22  -1.446  24.632   9.341
  146    HH2  ARG  22           HH2      ARG  22  -1.438  23.987   7.232
  147    HH2  ARG  22           HH2      ARG  22  -0.261  22.855   6.624
  148    H    TRP  23           H        TRP  23   0.044  17.039   8.547
  149    HA   TRP  23           HA       TRP  23  -0.315  17.862  11.345
  150   1HB   TRP  23           HB2      TRP  23  -2.271  16.752   9.290
  151   2HB   TRP  23           HB3      TRP  23  -2.635  17.521  10.813
  152    HD1  TRP  23           HD1      TRP  23  -0.409  19.208   8.177
  153    HE1  TRP  23           HE1      TRP  23  -1.607  21.213   7.178
  154    HE3  TRP  23           HE3      TRP  23  -4.925  18.610  10.457
  155    HZ2  TRP  23           HZ2      TRP  23  -4.218  22.429   7.348
  156    HZ3  TRP  23           HZ3      TRP  23  -6.778  20.180   9.986
  157    HH2  TRP  23           HH2      TRP  23  -6.444  22.094   8.433
  158    H    LYS  24           H        LYS  24   0.809  14.986   9.893
  159    HA   LYS  24           HA       LYS  24  -0.449  13.038  11.594
  160   1HB   LYS  24           HB2      LYS  24   1.981  13.075   9.740
  161   2HB   LYS  24           HB3      LYS  24   1.516  11.684  10.689
  162   1HG   LYS  24           HG2      LYS  24  -0.556  11.417   9.470
  163   2HG   LYS  24           HG3      LYS  24  -0.313  12.961   8.659
  164   1HD   LYS  24           HD2      LYS  24   1.072  12.099   7.111
  165   2HD   LYS  24           HD3      LYS  24   1.989  11.146   8.263
  166   1HE   LYS  24           HE2      LYS  24   0.573   9.290   8.011
  167   2HE   LYS  24           HE3      LYS  24  -0.713  10.234   7.236
  168   1HZ   LYS  24           HZ1      LYS  24   0.441  10.294   5.253
  169   2HZ   LYS  24           HZ2      LYS  24   1.921  10.178   5.943
  170   3HZ   LYS  24           HZ3      LYS  24   0.950   8.835   5.791
  171    H    CYS  25           H        CYS  25   0.491  12.304  13.412
  172    HA   CYS  25           HA       CYS  25   1.447  12.750  15.436
  173   1HB   CYS  25           HB2      CYS  25   3.901  12.420  15.550
  174   2HB   CYS  25           HB3      CYS  25   2.878  11.116  14.965
  175    H    ASP  26           H        ASP  26   0.545  15.077  14.925
  176    HA   ASP  26           HA       ASP  26   2.666  16.940  15.823
  177   1HB   ASP  26           HB2      ASP  26   0.574  18.541  15.856
  178   2HB   ASP  26           HB3      ASP  26   1.338  18.147  14.322
  179    H    GLY  27           H        GLY  27   0.520  14.552  16.995
  180   1HA   GLY  27           HA1      GLY  27   0.019  14.082  19.230
  181   2HA   GLY  27           HA2      GLY  27   0.404  15.737  19.710
  182    H    ASP  28           H        ASP  28  -1.561  15.604  16.729
  183    HA   ASP  28           HA       ASP  28  -3.848  16.401  18.461
  184   1HB   ASP  28           HB2      ASP  28  -2.531  18.180  17.164
  185   2HB   ASP  28           HB3      ASP  28  -3.357  17.560  15.735
  186    H    ASN  29           H        ASN  29  -5.678  15.647  18.284
  187    HA   ASN  29           HA       ASN  29  -6.685  13.895  16.232
  188   1HB   ASN  29           HB2      ASN  29  -8.844  14.260  17.335
  189   2HB   ASN  29           HB3      ASN  29  -7.606  13.601  18.341
  190    HD2  ASN  29           HD2      ASN  29  -6.997  17.136  18.236
  191    HD2  ASN  29           HD2      ASN  29  -8.024  17.344  19.645
  192    H    ASP  30           H        ASP  30  -5.480  16.041  15.150
  193    HA   ASP  30           HA       ASP  30  -7.109  17.669  13.471
  194   1HB   ASP  30           HB2      ASP  30  -5.010  17.976  12.713
  195   2HB   ASP  30           HB3      ASP  30  -4.430  16.744  13.821
  196    H    CYS  31           H        CYS  31  -6.138  14.208  13.468
  197    HA   CYS  31           HA       CYS  31  -8.602  13.456  12.052
  198   1HB   CYS  31           HB2      CYS  31  -6.567  12.222  11.718
  199   2HB   CYS  31           HB3      CYS  31  -6.481  11.828  13.461
  200    H    LEU  32           H        LEU  32 -10.418  13.707  13.100
  201    HA   LEU  32           HA       LEU  32 -11.024  13.774  15.783
  202   1HB   LEU  32           HB2      LEU  32 -12.562  14.364  14.006
  203   2HB   LEU  32           HB3      LEU  32 -12.607  12.697  13.433
  204    HG   LEU  32           HG       LEU  32 -13.793  11.969  15.446
  205    HD1  LEU  32           HD1      LEU  32 -14.707  13.683  17.040
  206    HD1  LEU  32           HD1      LEU  32 -12.947  13.651  17.109
  207    HD1  LEU  32           HD1      LEU  32 -13.765  14.949  16.219
  208    HD2  LEU  32           HD2      LEU  32 -15.104  12.749  13.527
  209    HD2  LEU  32           HD2      LEU  32 -15.923  13.136  15.043
  210    HD2  LEU  32           HD2      LEU  32 -15.071  14.415  14.153
  211    H    ASP  33           H        ASP  33  -9.957  10.862  14.166
  212    HA   ASP  33           HA       ASP  33 -11.074   9.207  16.401
  213   1HB   ASP  33           HB2      ASP  33 -10.994   7.305  15.047
  214   2HB   ASP  33           HB3      ASP  33 -11.780   8.602  14.130
  215    H    ASN  34           H        ASN  34  -8.317  10.836  15.671
  216    HA   ASN  34           HA       ASN  34  -6.104  10.677  15.989
  217   1HB   ASN  34           HB2      ASN  34  -6.831   8.793  18.287
  218   2HB   ASN  34           HB3      ASN  34  -5.282   9.577  18.054
  219    HD2  ASN  34           HD2      ASN  34  -8.756  10.302  18.609
  220    HD2  ASN  34           HD2      ASN  34  -8.388  11.777  19.523
  221    H    SER  35           H        SER  35  -6.145   9.586  13.795
  222    HA   SER  35           HA       SER  35  -5.705   6.688  13.842
  223   1HB   SER  35           HB2      SER  35  -5.839   8.775  11.629
  224   2HB   SER  35           HB3      SER  35  -5.205   7.156  11.361
  225    HG   SER  35           HG       SER  35  -7.808   7.414  12.564
  226    H    ASP  36           H        ASP  36  -4.074   9.650  12.716
  227    HA   ASP  36           HA       ASP  36  -1.629   8.534  12.224
  228   1HB   ASP  36           HB2      ASP  36  -0.933  10.855  12.079
  229   2HB   ASP  36           HB3      ASP  36  -2.330  10.434  11.124
  230    H    GLU  37           H        GLU  37  -2.709  10.531  14.887
  231    HA   GLU  37           HA       GLU  37  -0.468  10.412  16.558
  232   1HB   GLU  37           HB2      GLU  37  -3.384  10.676  17.363
  233   2HB   GLU  37           HB3      GLU  37  -1.971  11.227  18.274
  234   1HG   GLU  37           HG2      GLU  37  -2.976  12.231  15.621
  235   2HG   GLU  37           HG3      GLU  37  -2.998  13.102  17.175
  236    H    ALA  38           H        ALA  38  -2.206   7.516  15.708
  237    HA   ALA  38           HA       ALA  38  -1.060   6.329  18.137
  238   1HB   ALA  38           HB1      ALA  38  -3.504   6.041  17.889
  239   2HB   ALA  38           HB2      ALA  38  -3.269   5.371  16.265
  240   3HB   ALA  38           HB3      ALA  38  -2.649   4.497  17.680
  241    HA   PRO  39           HA       PRO  39   2.107   4.946  15.461
  242   1HB   PRO  39           HB2      PRO  39   3.239   2.911  16.874
  243   2HB   PRO  39           HB3      PRO  39   3.182   4.591  17.475
  244   1HG   PRO  39           HG2      PRO  39   1.229   2.344  18.102
  245   2HG   PRO  39           HG3      PRO  39   2.128   3.378  19.265
  246   1HD   PRO  39           HD2      PRO  39  -0.406   3.978  18.526
  247   2HD   PRO  39           HD3      PRO  39   0.814   5.264  18.751
  248    H    ALA  40           H        ALA  40  -0.570   3.731  14.935
  249    HA   ALA  40           HA       ALA  40   0.131   1.390  13.246
  250   1HB   ALA  40           HB1      ALA  40  -2.344   3.185  13.368
  251   2HB   ALA  40           HB2      ALA  40  -2.135   1.767  12.318
  252   3HB   ALA  40           HB3      ALA  40  -2.200   1.560  14.079
  253    H    LEU  41           H        LEU  41   0.123   4.898  13.411
  254    HA   LEU  41           HA       LEU  41   1.174   5.126  10.644
  255   1HB   LEU  41           HB2      LEU  41  -1.124   5.975  11.114
  256   2HB   LEU  41           HB3      LEU  41  -0.447   7.016  12.340
  257    HG   LEU  41           HG       LEU  41   0.602   7.190   9.506
  258    HD1  LEU  41           HD1      LEU  41  -2.161   8.065  10.291
  259    HD1  LEU  41           HD1      LEU  41  -1.250   9.053   9.157
  260    HD1  LEU  41           HD1      LEU  41  -1.571   7.348   8.803
  261    HD2  LEU  41           HD2      LEU  41   0.674   9.657  10.108
  262    HD2  LEU  41           HD2      LEU  41   0.515   9.112  11.779
  263    HD2  LEU  41           HD2      LEU  41   1.852   8.552  10.753
  264    H    CYS  42           H        CYS  42   1.120   7.551  13.502
  265    HA   CYS  42           HA       CYS  42   4.069   7.128  13.560
  266   1HB   CYS  42           HB2      CYS  42   3.542   8.907  11.993
  267   2HB   CYS  42           HB3      CYS  42   2.592   9.735  13.221
  268    H    HIS  43           H        HIS  43   1.490   8.997  15.295
  269    HA   HIS  43           HA       HIS  43   1.409   9.810  17.412
  270   1HB   HIS  43           HB2      HIS  43   1.153   7.383  17.886
  271   2HB   HIS  43           HB3      HIS  43   2.884   7.216  18.104
  272    HD1  HIS  43           HD1      HIS  43  -0.015   9.085  19.774
  273    HD2  HIS  43           HD2      HIS  43   3.727   7.348  20.541
  274    HE1  HIS  43           HE1      HIS  43   0.449   9.404  22.317
  275    H    GLN  44           H        GLN  44   2.672  10.347  19.437
  276    HA   GLN  44           HA       GLN  44   4.095  11.903  20.315
  277   1HB   GLN  44           HB2      GLN  44   4.729   9.599  20.910
  278   2HB   GLN  44           HB3      GLN  44   5.986   9.621  19.672
  279   1HG   GLN  44           HG2      GLN  44   7.091  11.508  20.876
  280   2HG   GLN  44           HG3      GLN  44   5.787  11.510  22.071
  281    HE2  GLN  44           HE2      GLN  44   5.410   8.942  22.922
  282    HE2  GLN  44           HE2      GLN  44   6.986   8.306  23.426
  283    H    HIS  45           H        HIS  45   4.062  13.665  18.854
  284    HA   HIS  45           HA       HIS  45   5.721  14.297  16.759
  285   1HB   HIS  45           HB2      HIS  45   3.912  15.691  17.881
  286   2HB   HIS  45           HB3      HIS  45   5.106  16.166  19.088
  287    HD1  HIS  45           HD1      HIS  45   4.751  16.213  15.257
  288    HD2  HIS  45           HD2      HIS  45   6.385  18.399  18.454
  289    HE1  HIS  45           HE1      HIS  45   5.763  18.386  14.243
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1   3.236   4.473  -6.381
    2   1HA   GLY   1           HA1      GLY   1   2.468   1.947  -5.444
    3   2HA   GLY   1           HA2      GLY   1   4.203   2.149  -5.128
    4    H    SER   2           H        SER   2   2.926   1.861  -2.962
    5    HA   SER   2           HA       SER   2   2.408   2.575  -0.903
    6   1HB   SER   2           HB2      SER   2   3.465   5.255  -1.870
    7   2HB   SER   2           HB3      SER   2   2.973   4.939  -0.210
    8    HG   SER   2           HG       SER   2   5.253   4.573  -0.736
    9    HA   PRO   3           HA       PRO   3  -1.733   4.264  -1.029
   10   1HB   PRO   3           HB2      PRO   3  -2.178   5.112   1.538
   11   2HB   PRO   3           HB3      PRO   3  -2.103   3.393   1.052
   12   1HG   PRO   3           HG2      PRO   3   0.108   5.073   2.273
   13   2HG   PRO   3           HG3      PRO   3  -0.421   3.427   2.735
   14   1HD   PRO   3           HD2      PRO   3   1.718   3.863   1.115
   15   2HD   PRO   3           HD3      PRO   3   0.637   2.465   0.867
   16    HA   PRO   4           HA       PRO   4  -0.119   8.377  -1.996
   17   1HB   PRO   4           HB2      PRO   4  -2.107   9.304  -3.669
   18   2HB   PRO   4           HB3      PRO   4  -0.901   8.073  -4.139
   19   1HG   PRO   4           HG2      PRO   4  -3.739   7.639  -3.165
   20   2HG   PRO   4           HG3      PRO   4  -2.919   6.893  -4.572
   21   1HD   PRO   4           HD2      PRO   4  -3.121   5.616  -2.173
   22   2HD   PRO   4           HD3      PRO   4  -1.675   5.452  -3.210
   23    H    GLN   5           H        GLN   5  -3.610   8.383  -1.333
   24    HA   GLN   5           HA       GLN   5  -4.930   9.445   0.192
   25   1HB   GLN   5           HB2      GLN   5  -2.335  10.163   1.587
   26   2HB   GLN   5           HB3      GLN   5  -3.940  10.241   2.302
   27   1HG   GLN   5           HG2      GLN   5  -4.132   7.839   2.324
   28   2HG   GLN   5           HG3      GLN   5  -2.797   7.627   1.225
   29    HE2  GLN   5           HE2      GLN   5  -0.706   7.384   1.994
   30    HE2  GLN   5           HE2      GLN   5  -0.414   7.415   3.745
   31    H    CYS   6           H        CYS   6  -6.026  11.241  -0.563
   32    HA   CYS   6           HA       CYS   6  -6.585  13.327  -1.164
   33   1HB   CYS   6           HB2      CYS   6  -4.814  13.751   0.932
   34   2HB   CYS   6           HB3      CYS   6  -4.115  14.726  -0.312
   35    H    GLN   7           H        GLN   7  -3.119  13.053  -1.713
   36    HA   GLN   7           HA       GLN   7  -3.269  13.561  -4.597
   37   1HB   GLN   7           HB2      GLN   7  -1.401  15.206  -2.836
   38   2HB   GLN   7           HB3      GLN   7  -1.796  15.421  -4.554
   39   1HG   GLN   7           HG2      GLN   7  -4.142  16.030  -3.896
   40   2HG   GLN   7           HG3      GLN   7  -3.620  16.015  -2.208
   41    HE2  GLN   7           HE2      GLN   7  -4.407  18.370  -2.325
   42    HE2  GLN   7           HE2      GLN   7  -3.195  19.496  -2.956
   43    HA   PRO   8           HA       PRO   8   0.089  10.602  -4.107
   44   1HB   PRO   8           HB2      PRO   8   2.295  11.213  -5.529
   45   2HB   PRO   8           HB3      PRO   8   0.705  10.972  -6.305
   46   1HG   PRO   8           HG2      PRO   8   2.014  13.599  -5.552
   47   2HG   PRO   8           HG3      PRO   8   1.254  13.147  -7.110
   48   1HD   PRO   8           HD2      PRO   8  -0.008  14.540  -5.107
   49   2HD   PRO   8           HD3      PRO   8  -0.902  13.486  -6.252
   50    H    GLY   9           H        GLY   9  -0.041  11.397  -1.719
   51   1HA   GLY   9           HA1      GLY   9   1.911  10.741  -0.218
   52   2HA   GLY   9           HA2      GLY   9   2.696  12.214  -0.803
   53    H    GLU  10           H        GLU  10  -0.588  11.614   0.624
   54    HA   GLU  10           HA       GLU  10   0.203  13.608   2.734
   55   1HB   GLU  10           HB2      GLU  10  -2.409  13.643   1.222
   56   2HB   GLU  10           HB3      GLU  10  -2.101  14.626   2.568
   57   1HG   GLU  10           HG2      GLU  10  -0.245  14.732   0.129
   58   2HG   GLU  10           HG3      GLU  10  -1.762  15.547   0.163
   59    H    PHE  11           H        PHE  11  -2.418  13.476   4.220
   60    HA   PHE  11           HA       PHE  11  -2.200  10.788   5.270
   61   1HB   PHE  11           HB2      PHE  11  -1.254  12.321   6.713
   62   2HB   PHE  11           HB3      PHE  11  -2.519  13.483   6.530
   63    HD1  PHE  11           HD1      PHE  11  -3.135   9.816   7.291
   64    HD2  PHE  11           HD2      PHE  11  -2.941  13.859   8.824
   65    HE1  PHE  11           HE1      PHE  11  -4.405   9.138   9.285
   66    HE2  PHE  11           HE2      PHE  11  -4.160  13.129  10.831
   67    HZ   PHE  11           HZ       PHE  11  -4.941  10.827  11.054
   68    H    ALA  12           H        ALA  12  -3.763   9.492   5.128
   69    HA   ALA  12           HA       ALA  12  -6.592  10.337   4.911
   70   1HB   ALA  12           HB1      ALA  12  -7.001   7.936   4.477
   71   2HB   ALA  12           HB2      ALA  12  -5.931   8.717   3.304
   72   3HB   ALA  12           HB3      ALA  12  -5.250   7.650   4.568
   73    H    CYS  13           H        CYS  13  -7.541  10.743   6.735
   74    HA   CYS  13           HA       CYS  13  -6.982   9.592   9.368
   75   1HB   CYS  13           HB2      CYS  13  -7.573  11.933   9.056
   76   2HB   CYS  13           HB3      CYS  13  -9.004  11.462   8.149
   77    H    ALA  14           H        ALA  14  -8.043   7.755  10.182
   78    HA   ALA  14           HA       ALA  14 -10.049   6.367   8.758
   79   1HB   ALA  14           HB1      ALA  14  -9.409   6.235  11.721
   80   2HB   ALA  14           HB2      ALA  14 -10.232   5.004  10.753
   81   3HB   ALA  14           HB3      ALA  14  -8.526   5.379  10.438
   82    H    ASN  15           H        ASN  15 -10.588   9.305  10.558
   83    HA   ASN  15           HA       ASN  15 -13.433   8.769  11.015
   84   1HB   ASN  15           HB2      ASN  15 -12.390  10.565  12.288
   85   2HB   ASN  15           HB3      ASN  15 -11.952  11.440  10.834
   86    HD2  ASN  15           HD2      ASN  15 -14.834  10.214  12.614
   87    HD2  ASN  15           HD2      ASN  15 -15.837  11.534  12.013
   88    H    SER  16           H        SER  16 -11.496   9.616   8.294
   89    HA   SER  16           HA       SER  16 -12.138   8.629   6.230
   90   1HB   SER  16           HB2      SER  16 -14.734  10.195   6.296
   91   2HB   SER  16           HB3      SER  16 -14.168   9.093   5.027
   92    HG   SER  16           HG       SER  16 -14.837   8.530   7.696
   93    H    ARG  17           H        ARG  17 -10.393  10.458   6.768
   94    HA   ARG  17           HA       ARG  17 -11.104  12.929   5.155
   95   1HB   ARG  17           HB2      ARG  17  -9.518  13.399   7.648
   96   2HB   ARG  17           HB3      ARG  17 -10.547  14.479   6.764
   97   1HG   ARG  17           HG2      ARG  17 -11.567  12.148   8.449
   98   2HG   ARG  17           HG3      ARG  17 -11.399  13.785   9.031
   99   1HD   ARG  17           HD2      ARG  17 -13.100  13.180   6.586
  100   2HD   ARG  17           HD3      ARG  17 -13.739  12.987   8.207
  101    HE   ARG  17           HE       ARG  17 -13.046  15.494   6.836
  102    HH1  ARG  17           HH1      ARG  17 -13.586  17.447   7.762
  103    HH1  ARG  17           HH1      ARG  17 -14.207  17.492   9.384
  104    HH2  ARG  17           HH2      ARG  17 -14.438  15.657  10.598
  105    HH2  ARG  17           HH2      ARG  17 -14.050  14.092   9.953
  106    H    CYS  18           H        CYS  18  -9.779  14.053   3.881
  107    HA   CYS  18           HA       CYS  18  -6.962  13.142   3.955
  108   1HB   CYS  18           HB2      CYS  18  -6.520  13.237   1.934
  109   2HB   CYS  18           HB3      CYS  18  -8.150  12.583   1.892
  110    H    ILE  19           H        ILE  19  -5.618  14.210   4.843
  111    HA   ILE  19           HA       ILE  19  -5.552  17.194   4.732
  112    HB   ILE  19           HB       ILE  19  -4.668  17.113   7.123
  113    HG2  ILE  19           HG2      ILE  19  -6.971  17.200   8.128
  114    HG2  ILE  19           HG2      ILE  19  -6.792  18.151   6.640
  115    HG2  ILE  19           HG2      ILE  19  -7.628  16.586   6.600
  116    HG1  ILE  19           HG1      ILE  19  -4.536  14.521   7.093
  117    HG1  ILE  19           HG1      ILE  19  -4.938  15.364   8.561
  118    HD1  ILE  19           HD1      ILE  19  -7.031  14.029   6.829
  119    HD1  ILE  19           HD1      ILE  19  -6.215  13.310   8.220
  120    HD1  ILE  19           HD1      ILE  19  -7.245  14.735   8.446
  121    H    GLN  20           H        GLN  20  -3.333  17.855   5.415
  122    HA   GLN  20           HA       GLN  20  -1.475  16.389   3.804
  123   1HB   GLN  20           HB2      GLN  20  -0.144  18.478   3.954
  124   2HB   GLN  20           HB3      GLN  20  -1.829  18.814   3.525
  125   1HG   GLN  20           HG2      GLN  20  -2.298  19.375   5.930
  126   2HG   GLN  20           HG3      GLN  20  -0.599  19.081   6.304
  127    HE2  GLN  20           HE2      GLN  20  -0.659  20.714   3.308
  128    HE2  GLN  20           HE2      GLN  20  -0.448  22.308   4.048
  129    H    GLU  21           H        GLU  21   0.525  15.780   4.268
  130    HA   GLU  21           HA       GLU  21   0.851  14.149   6.516
  131   1HB   GLU  21           HB2      GLU  21   1.783  13.687   4.372
  132   2HB   GLU  21           HB3      GLU  21   2.803  15.126   4.395
  133   1HG   GLU  21           HG2      GLU  21   4.351  14.196   5.833
  134   2HG   GLU  21           HG3      GLU  21   3.210  13.114   6.593
  135    H    ARG  22           H        ARG  22   1.655  17.561   6.511
  136    HA   ARG  22           HA       ARG  22   3.568  17.626   8.652
  137   1HB   ARG  22           HB2      ARG  22   3.055  19.709   7.712
  138   2HB   ARG  22           HB3      ARG  22   1.333  19.418   7.736
  139   1HG   ARG  22           HG2      ARG  22   1.659  19.381  10.380
  140   2HG   ARG  22           HG3      ARG  22   3.161  20.236  10.021
  141   1HD   ARG  22           HD2      ARG  22   1.964  22.139   9.827
  142   2HD   ARG  22           HD3      ARG  22   0.920  21.409   8.624
  143    HE   ARG  22           HE       ARG  22  -0.744  21.306  10.194
  144    HH1  ARG  22           HH1      ARG  22  -1.834  20.432  11.996
  145    HH1  ARG  22           HH1      ARG  22  -0.816  20.021  13.376
  146    HH2  ARG  22           HH2      ARG  22   1.087  20.202  13.495
  147    HH2  ARG  22           HH2      ARG  22   2.159  20.876  12.242
  148    H    TRP  23           H        TRP  23   0.112  16.703   8.584
  149    HA   TRP  23           HA       TRP  23  -0.200  17.099  11.430
  150   1HB   TRP  23           HB2      TRP  23  -2.078  16.059   9.318
  151   2HB   TRP  23           HB3      TRP  23  -2.477  16.614  10.935
  152    HD1  TRP  23           HD1      TRP  23  -0.302  18.900   8.867
  153    HE1  TRP  23           HE1      TRP  23  -1.600  20.901   7.956
  154    HE3  TRP  23           HE3      TRP  23  -5.019  17.452  10.139
  155    HZ2  TRP  23           HZ2      TRP  23  -4.247  21.930   8.141
  156    HZ3  TRP  23           HZ3      TRP  23  -6.912  18.994   9.825
  157    HH2  TRP  23           HH2      TRP  23  -6.556  21.238   8.812
  158    H    LYS  24           H        LYS  24   1.222  14.550   9.522
  159    HA   LYS  24           HA       LYS  24   0.464  12.334  11.240
  160   1HB   LYS  24           HB2      LYS  24   2.568  12.732   9.047
  161   2HB   LYS  24           HB3      LYS  24   2.204  11.216   9.826
  162   1HG   LYS  24           HG2      LYS  24  -0.076  11.213   8.866
  163   2HG   LYS  24           HG3      LYS  24   0.192  12.815   8.240
  164   1HD   LYS  24           HD2      LYS  24   1.206  12.074   6.405
  165   2HD   LYS  24           HD3      LYS  24   2.337  11.075   7.311
  166   1HE   LYS  24           HE2      LYS  24   0.894   9.197   7.212
  167   2HE   LYS  24           HE3      LYS  24  -0.476  10.164   6.627
  168   1HZ   LYS  24           HZ1      LYS  24   0.412  10.285   4.532
  169   2HZ   LYS  24           HZ2      LYS  24   1.962  10.333   5.041
  170   3HZ   LYS  24           HZ3      LYS  24   1.171   8.882   4.964
  171    H    CYS  25           H        CYS  25   1.529  12.094  13.112
  172    HA   CYS  25           HA       CYS  25   3.137  12.168  14.749
  173   1HB   CYS  25           HB2      CYS  25   5.134  13.491  12.895
  174   2HB   CYS  25           HB3      CYS  25   5.465  12.526  14.308
  175    H    ASP  26           H        ASP  26   1.417  14.620  14.032
  176    HA   ASP  26           HA       ASP  26   3.166  16.942  14.594
  177   1HB   ASP  26           HB2      ASP  26   1.788  17.864  13.197
  178   2HB   ASP  26           HB3      ASP  26   0.836  16.432  13.072
  179    H    GLY  27           H        GLY  27   1.098  14.744  16.235
  180   1HA   GLY  27           HA1      GLY  27   1.141  14.484  18.590
  181   2HA   GLY  27           HA2      GLY  27   1.613  16.171  18.795
  182    H    ASP  28           H        ASP  28  -1.016  16.248  16.589
  183    HA   ASP  28           HA       ASP  28  -2.969  16.119  18.816
  184   1HB   ASP  28           HB2      ASP  28  -2.468  18.467  18.063
  185   2HB   ASP  28           HB3      ASP  28  -3.201  18.052  16.512
  186    H    ASN  29           H        ASN  29  -4.942  15.575  18.418
  187    HA   ASN  29           HA       ASN  29  -5.669  13.560  16.452
  188   1HB   ASN  29           HB2      ASN  29  -7.906  14.835  17.913
  189   2HB   ASN  29           HB3      ASN  29  -7.483  13.183  17.710
  190    HD2  ASN  29           HD2      ASN  29  -6.107  16.109  19.638
  191    HD2  ASN  29           HD2      ASN  29  -6.039  15.058  21.054
  192    H    ASP  30           H        ASP  30  -4.755  15.433  14.935
  193    HA   ASP  30           HA       ASP  30  -6.431  17.553  14.048
  194   1HB   ASP  30           HB2      ASP  30  -4.832  17.642  12.330
  195   2HB   ASP  30           HB3      ASP  30  -3.956  16.945  13.689
  196    H    CYS  31           H        CYS  31  -6.362  14.176  13.495
  197    HA   CYS  31           HA       CYS  31  -8.433  13.918  11.559
  198   1HB   CYS  31           HB2      CYS  31  -6.562  12.429  11.745
  199   2HB   CYS  31           HB3      CYS  31  -6.919  12.075  13.429
  200    H    LEU  32           H        LEU  32  -8.774  14.552  14.883
  201    HA   LEU  32           HA       LEU  32 -10.368  14.384  16.412
  202   1HB   LEU  32           HB2      LEU  32 -12.334  15.187  15.786
  203   2HB   LEU  32           HB3      LEU  32 -11.613  15.232  14.194
  204    HG   LEU  32           HG       LEU  32 -12.711  12.794  13.956
  205    HD1  LEU  32           HD1      LEU  32 -14.893  12.685  15.064
  206    HD1  LEU  32           HD1      LEU  32 -13.620  12.717  16.287
  207    HD1  LEU  32           HD1      LEU  32 -14.552  14.186  15.953
  208    HD2  LEU  32           HD2      LEU  32 -13.177  14.707  12.533
  209    HD2  LEU  32           HD2      LEU  32 -14.691  13.905  12.985
  210    HD2  LEU  32           HD2      LEU  32 -14.225  15.426  13.782
  211    H    ASP  33           H        ASP  33 -10.343  11.665  14.243
  212    HA   ASP  33           HA       ASP  33 -11.398   9.673  16.141
  213   1HB   ASP  33           HB2      ASP  33 -11.814   8.952  14.018
  214   2HB   ASP  33           HB3      ASP  33 -10.494   9.852  13.312
  215    H    ASN  34           H        ASN  34  -8.476  11.246  15.430
  216    HA   ASN  34           HA       ASN  34  -6.311  11.089  15.931
  217   1HB   ASN  34           HB2      ASN  34  -7.250  11.032  18.314
  218   2HB   ASN  34           HB3      ASN  34  -7.008   9.289  18.277
  219    HD2  ASN  34           HD2      ASN  34  -5.612  11.751  19.733
  220    HD2  ASN  34           HD2      ASN  34  -3.913  11.299  19.422
  221    H    SER  35           H        SER  35  -5.786  10.151  14.009
  222    HA   SER  35           HA       SER  35  -5.393   7.209  14.043
  223   1HB   SER  35           HB2      SER  35  -5.940   9.193  11.825
  224   2HB   SER  35           HB3      SER  35  -5.062   7.713  11.483
  225    HG   SER  35           HG       SER  35  -7.711   7.744  12.722
  226    H    ASP  36           H        ASP  36  -3.970  10.189  12.902
  227    HA   ASP  36           HA       ASP  36  -1.332   9.683  12.369
  228   1HB   ASP  36           HB2      ASP  36  -1.242  12.113  13.383
  229   2HB   ASP  36           HB3      ASP  36  -2.075  11.819  11.882
  230    H    GLU  37           H        GLU  37  -2.596  10.919  15.399
  231    HA   GLU  37           HA       GLU  37  -0.151  10.168  16.682
  232   1HB   GLU  37           HB2      GLU  37  -2.393  11.554  18.092
  233   2HB   GLU  37           HB3      GLU  37  -0.633  11.664  18.305
  234   1HG   GLU  37           HG2      GLU  37  -2.178  12.581  15.884
  235   2HG   GLU  37           HG3      GLU  37  -1.595  13.638  17.137
  236    H    ALA  38           H        ALA  38  -2.306   7.918  15.922
  237    HA   ALA  38           HA       ALA  38  -1.706   6.510  18.427
  238   1HB   ALA  38           HB1      ALA  38  -3.390   4.914  17.494
  239   2HB   ALA  38           HB2      ALA  38  -4.090   6.532  17.766
  240   3HB   ALA  38           HB3      ALA  38  -3.653   6.028  16.127
  241    HA   PRO  39           HA       PRO  39   1.702   5.241  15.824
  242   1HB   PRO  39           HB2      PRO  39   2.768   3.177  17.271
  243   2HB   PRO  39           HB3      PRO  39   2.773   4.874  17.821
  244   1HG   PRO  39           HG2      PRO  39   0.758   2.710  18.523
  245   2HG   PRO  39           HG3      PRO  39   1.678   3.767  19.648
  246   1HD   PRO  39           HD2      PRO  39  -0.845   4.387  18.886
  247   2HD   PRO  39           HD3      PRO  39   0.395   5.664  19.056
  248    H    ALA  40           H        ALA  40  -0.949   4.066  15.240
  249    HA   ALA  40           HA       ALA  40  -0.269   1.682  13.594
  250   1HB   ALA  40           HB1      ALA  40  -2.576   1.805  14.502
  251   2HB   ALA  40           HB2      ALA  40  -2.789   3.411  13.767
  252   3HB   ALA  40           HB3      ALA  40  -2.576   1.979  12.735
  253    H    LEU  41           H        LEU  41  -0.356   5.184  13.689
  254    HA   LEU  41           HA       LEU  41   0.643   5.314  10.901
  255   1HB   LEU  41           HB2      LEU  41  -1.574   6.431  11.438
  256   2HB   LEU  41           HB3      LEU  41  -0.702   7.588  12.427
  257    HG   LEU  41           HG       LEU  41   0.118   7.026   9.557
  258    HD1  LEU  41           HD1      LEU  41  -1.909   9.121  10.377
  259    HD1  LEU  41           HD1      LEU  41  -1.250   8.865   8.756
  260    HD1  LEU  41           HD1      LEU  41  -2.269   7.624   9.496
  261    HD2  LEU  41           HD2      LEU  41   0.916   9.339   9.565
  262    HD2  LEU  41           HD2      LEU  41   0.535   9.465  11.299
  263    HD2  LEU  41           HD2      LEU  41   1.762   8.321  10.692
  264    H    CYS  42           H        CYS  42   0.898   7.778  13.672
  265    HA   CYS  42           HA       CYS  42   3.776   7.087  13.670
  266   1HB   CYS  42           HB2      CYS  42   3.247   8.989  12.172
  267   2HB   CYS  42           HB3      CYS  42   2.638   9.887  13.568
  268    H    HIS  43           H        HIS  43   1.488   9.240  15.461
  269    HA   HIS  43           HA       HIS  43   1.636  10.110  17.559
  270   1HB   HIS  43           HB2      HIS  43   0.925   7.767  18.094
  271   2HB   HIS  43           HB3      HIS  43   2.600   7.313  18.314
  272    HD1  HIS  43           HD1      HIS  43  -0.218   8.969  20.103
  273    HD2  HIS  43           HD2      HIS  43   3.911   8.296  20.536
  274    HE1  HIS  43           HE1      HIS  43   0.365   9.430  22.597
  275    H    GLN  44           H        GLN  44   3.141  11.697  17.158
  276    HA   GLN  44           HA       GLN  44   5.899  11.199  18.163
  277   1HB   GLN  44           HB2      GLN  44   5.584  12.960  16.534
  278   2HB   GLN  44           HB3      GLN  44   4.489  13.838  17.633
  279   1HG   GLN  44           HG2      GLN  44   6.300  14.191  19.227
  280   2HG   GLN  44           HG3      GLN  44   7.361  13.096  18.343
  281    HE2  GLN  44           HE2      GLN  44   5.672  15.237  16.068
  282    HE2  GLN  44           HE2      GLN  44   7.049  16.352  16.044
  283    H    HIS  45           H        HIS  45   2.834  12.512  19.396
  284    HA   HIS  45           HA       HIS  45   3.548  11.666  22.102
  285   1HB   HIS  45           HB2      HIS  45   4.538  14.053  21.720
  286   2HB   HIS  45           HB3      HIS  45   2.870  14.613  21.788
  287    HD1  HIS  45           HD1      HIS  45   1.922  12.757  24.207
  288    HD2  HIS  45           HD2      HIS  45   5.517  14.922  23.976
  289    HE1  HIS  45           HE1      HIS  45   2.734  13.134  26.651
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1   2.256   0.431  -5.672
    2   1HA   GLY   1           HA1      GLY   1   2.221  -1.107  -3.603
    3   2HA   GLY   1           HA2      GLY   1   3.646  -0.071  -3.745
    4    H    SER   2           H        SER   2   1.111   1.961  -3.083
    5    HA   SER   2           HA       SER   2   0.546   1.530  -0.306
    6   1HB   SER   2           HB2      SER   2   2.698   3.566  -1.027
    7   2HB   SER   2           HB3      SER   2   1.720   3.734   0.441
    8    HG   SER   2           HG       SER   2   2.946   1.263  -0.170
    9    HA   PRO   3           HA       PRO   3  -2.574   4.476  -1.540
   10   1HB   PRO   3           HB2      PRO   3  -3.319   5.731   0.782
   11   2HB   PRO   3           HB3      PRO   3  -3.727   4.031   0.404
   12   1HG   PRO   3           HG2      PRO   3  -1.423   5.055   2.093
   13   2HG   PRO   3           HG3      PRO   3  -2.592   3.753   2.486
   14   1HD   PRO   3           HD2      PRO   3  -0.127   3.213   1.468
   15   2HD   PRO   3           HD3      PRO   3  -1.551   2.243   0.996
   16    HA   PRO   4           HA       PRO   4   0.028   8.200  -2.044
   17   1HB   PRO   4           HB2      PRO   4  -1.605   9.671  -3.669
   18   2HB   PRO   4           HB3      PRO   4  -0.730   8.225  -4.237
   19   1HG   PRO   4           HG2      PRO   4  -3.616   8.426  -3.327
   20   2HG   PRO   4           HG3      PRO   4  -2.970   7.643  -4.804
   21   1HD   PRO   4           HD2      PRO   4  -3.545   6.233  -2.536
   22   2HD   PRO   4           HD3      PRO   4  -2.162   5.794  -3.586
   23    H    GLN   5           H        GLN   5  -3.354   8.462  -1.087
   24    HA   GLN   5           HA       GLN   5  -4.456   9.665   0.508
   25   1HB   GLN   5           HB2      GLN   5  -1.707  10.210   1.681
   26   2HB   GLN   5           HB3      GLN   5  -3.256  10.401   2.508
   27   1HG   GLN   5           HG2      GLN   5  -3.605   7.913   2.263
   28   2HG   GLN   5           HG3      GLN   5  -2.008   7.793   1.535
   29    HE2  GLN   5           HE2      GLN   5  -3.686   7.636   4.549
   30    HE2  GLN   5           HE2      GLN   5  -2.184   7.637   5.480
   31    H    CYS   6           H        CYS   6  -5.463  11.480  -0.306
   32    HA   CYS   6           HA       CYS   6  -5.986  13.507  -1.005
   33   1HB   CYS   6           HB2      CYS   6  -4.493  13.886   1.260
   34   2HB   CYS   6           HB3      CYS   6  -3.631  14.891   0.146
   35    H    GLN   7           H        GLN   7  -2.499  13.328  -1.383
   36    HA   GLN   7           HA       GLN   7  -2.548  14.228  -4.186
   37   1HB   GLN   7           HB2      GLN   7  -0.596  15.429  -2.179
   38   2HB   GLN   7           HB3      GLN   7  -0.983  15.968  -3.822
   39   1HG   GLN   7           HG2      GLN   7  -3.290  16.581  -3.017
   40   2HG   GLN   7           HG3      GLN   7  -2.750  16.297  -1.373
   41    HE2  GLN   7           HE2      GLN   7  -0.920  17.919  -0.432
   42    HE2  GLN   7           HE2      GLN   7  -0.800  19.360  -1.433
   43    HA   PRO   8           HA       PRO   8   0.712  11.023  -3.908
   44   1HB   PRO   8           HB2      PRO   8   3.053  11.770  -5.030
   45   2HB   PRO   8           HB3      PRO   8   1.552  11.589  -5.984
   46   1HG   PRO   8           HG2      PRO   8   2.775  14.141  -4.913
   47   2HG   PRO   8           HG3      PRO   8   2.116  13.823  -6.545
   48   1HD   PRO   8           HD2      PRO   8   0.743  15.047  -4.491
   49   2HD   PRO   8           HD3      PRO   8  -0.080  14.151  -5.809
   50    H    GLY   9           H        GLY   9   0.493  11.237  -1.499
   51   1HA   GLY   9           HA1      GLY   9   2.154  10.671   0.203
   52   2HA   GLY   9           HA2      GLY   9   3.097  12.078  -0.300
   53    H    GLU  10           H        GLU  10  -0.317  11.737   0.857
   54    HA   GLU  10           HA       GLU  10   0.415  13.760   2.975
   55   1HB   GLU  10           HB2      GLU  10  -2.169  13.674   1.426
   56   2HB   GLU  10           HB3      GLU  10  -1.886  14.748   2.673
   57   1HG   GLU  10           HG2      GLU  10   0.047  14.665   0.278
   58   2HG   GLU  10           HG3      GLU  10  -1.467  15.467   0.208
   59    H    PHE  11           H        PHE  11  -2.319  13.628   4.307
   60    HA   PHE  11           HA       PHE  11  -2.132  10.941   5.362
   61   1HB   PHE  11           HB2      PHE  11  -1.201  12.415   6.827
   62   2HB   PHE  11           HB3      PHE  11  -2.418  13.638   6.609
   63    HD1  PHE  11           HD1      PHE  11  -2.961   9.959   7.369
   64    HD2  PHE  11           HD2      PHE  11  -3.129  14.047   8.761
   65    HE1  PHE  11           HE1      PHE  11  -4.449   9.255   9.211
   66    HE2  PHE  11           HE2      PHE  11  -4.686  13.300  10.572
   67    HZ   PHE  11           HZ       PHE  11  -5.362  10.970  10.780
   68    H    ALA  12           H        ALA  12  -3.695   9.667   5.280
   69    HA   ALA  12           HA       ALA  12  -6.483  10.562   4.849
   70   1HB   ALA  12           HB1      ALA  12  -5.564   8.937   3.228
   71   2HB   ALA  12           HB2      ALA  12  -5.442   7.747   4.560
   72   3HB   ALA  12           HB3      ALA  12  -7.012   8.392   4.088
   73    H    CYS  13           H        CYS  13  -7.598  10.847   6.588
   74    HA   CYS  13           HA       CYS  13  -7.207   9.590   9.212
   75   1HB   CYS  13           HB2      CYS  13  -7.840  11.962   8.979
   76   2HB   CYS  13           HB3      CYS  13  -9.231  11.468   8.011
   77    H    ALA  14           H        ALA  14  -8.192   7.682   9.738
   78    HA   ALA  14           HA       ALA  14 -10.065   6.279   8.183
   79   1HB   ALA  14           HB1      ALA  14  -8.594   5.315   9.925
   80   2HB   ALA  14           HB2      ALA  14  -9.566   6.119  11.178
   81   3HB   ALA  14           HB3      ALA  14 -10.296   4.868  10.159
   82    H    ASN  15           H        ASN  15 -10.797   9.065  10.205
   83    HA   ASN  15           HA       ASN  15 -13.628   8.399  10.515
   84   1HB   ASN  15           HB2      ASN  15 -12.434  10.084  11.937
   85   2HB   ASN  15           HB3      ASN  15 -12.356  11.186  10.569
   86    HD2  ASN  15           HD2      ASN  15 -14.427  12.144   9.798
   87    HD2  ASN  15           HD2      ASN  15 -15.802  12.020  10.901
   88    H    SER  16           H        SER  16 -11.661   9.641   7.976
   89    HA   SER  16           HA       SER  16 -12.236   9.058   5.757
   90   1HB   SER  16           HB2      SER  16 -14.867  10.538   6.043
   91   2HB   SER  16           HB3      SER  16 -14.244   9.711   4.603
   92    HG   SER  16           HG       SER  16 -14.961   8.633   7.096
   93    H    ARG  17           H        ARG  17 -10.480  10.681   6.535
   94    HA   ARG  17           HA       ARG  17 -10.999  13.292   5.070
   95   1HB   ARG  17           HB2      ARG  17  -9.314  13.471   7.536
   96   2HB   ARG  17           HB3      ARG  17 -10.114  14.727   6.668
   97   1HG   ARG  17           HG2      ARG  17 -11.484  12.647   8.435
   98   2HG   ARG  17           HG3      ARG  17 -11.062  14.285   8.894
   99   1HD   ARG  17           HD2      ARG  17 -13.232  13.397   6.983
  100   2HD   ARG  17           HD3      ARG  17 -13.375  14.286   8.477
  101    HE   ARG  17           HE       ARG  17 -12.461  16.246   7.436
  102    HH1  ARG  17           HH1      ARG  17 -12.573  17.651   5.728
  103    HH1  ARG  17           HH1      ARG  17 -12.944  17.067   4.136
  104    HH2  ARG  17           HH2      ARG  17 -13.374  14.923   3.759
  105    HH2  ARG  17           HH2      ARG  17 -13.201  13.732   5.017
  106    H    CYS  18           H        CYS  18  -9.655  14.258   3.737
  107    HA   CYS  18           HA       CYS  18  -6.867  13.290   3.911
  108   1HB   CYS  18           HB2      CYS  18  -6.330  13.320   1.930
  109   2HB   CYS  18           HB3      CYS  18  -7.996  12.768   1.762
  110    H    ILE  19           H        ILE  19  -5.544  14.372   4.806
  111    HA   ILE  19           HA       ILE  19  -5.507  17.355   4.730
  112    HB   ILE  19           HB       ILE  19  -4.659  17.217   7.212
  113    HG2  ILE  19           HG2      ILE  19  -7.104  17.237   8.009
  114    HG2  ILE  19           HG2      ILE  19  -6.724  18.330   6.663
  115    HG2  ILE  19           HG2      ILE  19  -7.584  16.804   6.377
  116    HG1  ILE  19           HG1      ILE  19  -4.641  14.594   7.033
  117    HG1  ILE  19           HG1      ILE  19  -5.021  15.405   8.528
  118    HD1  ILE  19           HD1      ILE  19  -7.149  14.245   6.711
  119    HD1  ILE  19           HD1      ILE  19  -6.417  13.431   8.096
  120    HD1  ILE  19           HD1      ILE  19  -7.361  14.905   8.347
  121    H    GLN  20           H        GLN  20  -3.319  18.051   5.224
  122    HA   GLN  20           HA       GLN  20  -1.415  16.437   3.812
  123   1HB   GLN  20           HB2      GLN  20  -0.079  18.392   3.778
  124   2HB   GLN  20           HB3      GLN  20  -1.725  18.968   3.600
  125   1HG   GLN  20           HG2      GLN  20  -0.149  18.944   6.225
  126   2HG   GLN  20           HG3      GLN  20  -0.214  20.298   5.115
  127    HE2  GLN  20           HE2      GLN  20  -2.223  18.219   7.230
  128    HE2  GLN  20           HE2      GLN  20  -3.351  19.529   7.639
  129    H    GLU  21           H        GLU  21   0.600  15.906   4.465
  130    HA   GLU  21           HA       GLU  21   0.816  14.362   6.797
  131   1HB   GLU  21           HB2      GLU  21   1.937  13.904   4.732
  132   2HB   GLU  21           HB3      GLU  21   2.890  15.383   4.820
  133   1HG   GLU  21           HG2      GLU  21   4.345  14.540   6.393
  134   2HG   GLU  21           HG3      GLU  21   3.188  13.431   7.081
  135    H    ARG  22           H        ARG  22   1.520  17.786   6.577
  136    HA   ARG  22           HA       ARG  22   3.046  18.062   8.976
  137   1HB   ARG  22           HB2      ARG  22   2.935  20.161   8.387
  138   2HB   ARG  22           HB3      ARG  22   1.743  19.773   7.153
  139   1HG   ARG  22           HG2      ARG  22  -0.052  20.011   8.779
  140   2HG   ARG  22           HG3      ARG  22   1.129  20.503  10.019
  141   1HD   ARG  22           HD2      ARG  22   0.377  22.528   9.342
  142   2HD   ARG  22           HD3      ARG  22   1.842  22.357   8.378
  143    HE   ARG  22           HE       ARG  22  -0.896  21.721   7.282
  144    HH1  ARG  22           HH1      ARG  22  -1.534  22.518   5.471
  145    HH1  ARG  22           HH1      ARG  22  -0.637  23.766   4.610
  146    HH2  ARG  22           HH2      ARG  22   1.362  24.450   5.467
  147    HH2  ARG  22           HH2      ARG  22   1.944  23.753   6.959
  148    H    TRP  23           H        TRP  23  -0.264  16.853   8.694
  149    HA   TRP  23           HA       TRP  23  -0.639  17.209  11.580
  150   1HB   TRP  23           HB2      TRP  23  -2.468  16.362   9.297
  151   2HB   TRP  23           HB3      TRP  23  -2.911  16.387  10.980
  152    HD1  TRP  23           HD1      TRP  23  -0.941  19.247  10.550
  153    HE1  TRP  23           HE1      TRP  23  -2.289  21.446  10.488
  154    HE3  TRP  23           HE3      TRP  23  -5.535  17.286   9.755
  155    HZ2  TRP  23           HZ2      TRP  23  -5.004  22.216  10.085
  156    HZ3  TRP  23           HZ3      TRP  23  -7.525  18.759   9.664
  157    HH2  TRP  23           HH2      TRP  23  -7.278  21.222   9.792
  158    H    LYS  24           H        LYS  24   1.008  14.832   9.769
  159    HA   LYS  24           HA       LYS  24   0.171  12.559  11.375
  160   1HB   LYS  24           HB2      LYS  24   2.424  13.053   9.354
  161   2HB   LYS  24           HB3      LYS  24   2.100  11.512  10.122
  162   1HG   LYS  24           HG2      LYS  24  -0.133  11.405   9.018
  163   2HG   LYS  24           HG3      LYS  24   0.135  13.002   8.370
  164   1HD   LYS  24           HD2      LYS  24   1.256  12.251   6.619
  165   2HD   LYS  24           HD3      LYS  24   2.395  11.355   7.620
  166   1HE   LYS  24           HE2      LYS  24   1.138   9.372   7.467
  167   2HE   LYS  24           HE3      LYS  24  -0.292  10.210   6.822
  168   1HZ   LYS  24           HZ1      LYS  24   0.702  10.483   4.776
  169   2HZ   LYS  24           HZ2      LYS  24   2.234  10.451   5.339
  170   3HZ   LYS  24           HZ3      LYS  24   1.326   9.037   5.159
  171    H    CYS  25           H        CYS  25   0.906  12.332  13.300
  172    HA   CYS  25           HA       CYS  25   1.828  12.889  15.248
  173   1HB   CYS  25           HB2      CYS  25   4.279  12.601  15.512
  174   2HB   CYS  25           HB3      CYS  25   3.261  11.255  15.047
  175    H    ASP  26           H        ASP  26   0.907  15.137  14.506
  176    HA   ASP  26           HA       ASP  26   3.034  17.087  15.292
  177   1HB   ASP  26           HB2      ASP  26   1.108  18.716  15.198
  178   2HB   ASP  26           HB3      ASP  26   1.408  17.916  13.641
  179    H    GLY  27           H        GLY  27   0.765  14.876  16.769
  180   1HA   GLY  27           HA1      GLY  27   0.651  14.677  19.132
  181   2HA   GLY  27           HA2      GLY  27   0.788  16.419  19.322
  182    H    ASP  28           H        ASP  28  -1.499  16.434  16.846
  183    HA   ASP  28           HA       ASP  28  -3.648  15.984  18.849
  184   1HB   ASP  28           HB2      ASP  28  -3.048  18.369  18.333
  185   2HB   ASP  28           HB3      ASP  28  -3.769  18.115  16.742
  186    H    ASN  29           H        ASN  29  -5.587  15.532  18.407
  187    HA   ASN  29           HA       ASN  29  -6.192  13.518  16.405
  188   1HB   ASN  29           HB2      ASN  29  -8.495  14.571  17.939
  189   2HB   ASN  29           HB3      ASN  29  -7.943  12.959  17.677
  190    HD2  ASN  29           HD2      ASN  29  -6.700  15.906  19.696
  191    HD2  ASN  29           HD2      ASN  29  -6.515  14.783  21.040
  192    H    ASP  30           H        ASP  30  -5.479  15.484  14.927
  193    HA   ASP  30           HA       ASP  30  -7.304  17.425  13.974
  194   1HB   ASP  30           HB2      ASP  30  -5.736  17.591  12.273
  195   2HB   ASP  30           HB3      ASP  30  -4.781  16.878  13.573
  196    H    CYS  31           H        CYS  31  -6.981  14.032  13.480
  197    HA   CYS  31           HA       CYS  31  -9.047  13.658  11.567
  198   1HB   CYS  31           HB2      CYS  31  -7.039  12.335  11.720
  199   2HB   CYS  31           HB3      CYS  31  -7.403  11.844  13.366
  200    H    LEU  32           H        LEU  32  -9.422  14.188  14.889
  201    HA   LEU  32           HA       LEU  32 -10.964  13.835  16.439
  202   1HB   LEU  32           HB2      LEU  32 -13.011  14.468  15.881
  203   2HB   LEU  32           HB3      LEU  32 -12.329  14.637  14.279
  204    HG   LEU  32           HG       LEU  32 -13.210  12.151  13.924
  205    HD1  LEU  32           HD1      LEU  32 -14.004  11.792  16.277
  206    HD1  LEU  32           HD1      LEU  32 -15.092  13.180  16.100
  207    HD1  LEU  32           HD1      LEU  32 -15.314  11.724  15.102
  208    HD2  LEU  32           HD2      LEU  32 -15.002  14.611  14.034
  209    HD2  LEU  32           HD2      LEU  32 -13.975  14.098  12.672
  210    HD2  LEU  32           HD2      LEU  32 -15.361  13.108  13.155
  211    H    ASP  33           H        ASP  33 -10.774  11.190  14.188
  212    HA   ASP  33           HA       ASP  33 -11.697   9.052  15.965
  213   1HB   ASP  33           HB2      ASP  33 -12.002   8.456  13.776
  214   2HB   ASP  33           HB3      ASP  33 -10.696   9.450  13.189
  215    H    ASN  34           H        ASN  34  -8.896  10.891  15.503
  216    HA   ASN  34           HA       ASN  34  -6.705  10.792  15.937
  217   1HB   ASN  34           HB2      ASN  34  -7.603  10.637  18.319
  218   2HB   ASN  34           HB3      ASN  34  -7.351   8.897  18.229
  219    HD2  ASN  34           HD2      ASN  34  -5.985  11.540  19.582
  220    HD2  ASN  34           HD2      ASN  34  -4.289  11.033  19.378
  221    H    SER  35           H        SER  35  -6.326   9.919  13.906
  222    HA   SER  35           HA       SER  35  -5.701   7.039  13.863
  223   1HB   SER  35           HB2      SER  35  -6.005   9.156  11.703
  224   2HB   SER  35           HB3      SER  35  -5.130   7.655  11.415
  225    HG   SER  35           HG       SER  35  -7.863   7.591  12.409
  226    H    ASP  36           H        ASP  36  -4.361   9.998  12.807
  227    HA   ASP  36           HA       ASP  36  -1.784   9.711  12.272
  228   1HB   ASP  36           HB2      ASP  36  -1.877  12.190  13.305
  229   2HB   ASP  36           HB3      ASP  36  -2.613  11.790  11.787
  230    H    GLU  37           H        GLU  37  -2.889  10.953  15.291
  231    HA   GLU  37           HA       GLU  37  -0.304  10.775  16.468
  232   1HB   GLU  37           HB2      GLU  37  -2.951  11.310  17.853
  233   2HB   GLU  37           HB3      GLU  37  -1.345  11.841  18.359
  234   1HG   GLU  37           HG2      GLU  37  -2.822  12.625  15.817
  235   2HG   GLU  37           HG3      GLU  37  -2.604  13.606  17.243
  236    H    ALA  38           H        ALA  38  -2.326   8.093  16.069
  237    HA   ALA  38           HA       ALA  38  -1.224   6.795  18.455
  238   1HB   ALA  38           HB1      ALA  38  -3.321   5.977  16.395
  239   2HB   ALA  38           HB2      ALA  38  -2.893   5.075  17.868
  240   3HB   ALA  38           HB3      ALA  38  -3.682   6.672  17.982
  241    HA   PRO  39           HA       PRO  39   2.010   5.590  15.661
  242   1HB   PRO  39           HB2      PRO  39   3.300   3.666  17.102
  243   2HB   PRO  39           HB3      PRO  39   3.204   5.374  17.617
  244   1HG   PRO  39           HG2      PRO  39   1.399   3.084  18.472
  245   2HG   PRO  39           HG3      PRO  39   2.295   4.233  19.522
  246   1HD   PRO  39           HD2      PRO  39  -0.304   4.647  18.882
  247   2HD   PRO  39           HD3      PRO  39   0.843   6.013  18.970
  248    H    ALA  40           H        ALA  40  -0.546   4.262  15.364
  249    HA   ALA  40           HA       ALA  40   0.080   1.854  13.702
  250   1HB   ALA  40           HB1      ALA  40  -2.490   3.481  14.023
  251   2HB   ALA  40           HB2      ALA  40  -2.295   2.026  13.019
  252   3HB   ALA  40           HB3      ALA  40  -2.149   1.909  14.785
  253    H    LEU  41           H        LEU  41  -0.227   5.343  13.684
  254    HA   LEU  41           HA       LEU  41   0.751   5.444  10.886
  255   1HB   LEU  41           HB2      LEU  41  -1.509   6.459  11.301
  256   2HB   LEU  41           HB3      LEU  41  -0.781   7.644  12.372
  257    HG   LEU  41           HG       LEU  41   0.309   7.234   9.577
  258    HD1  LEU  41           HD1      LEU  41  -2.113   7.558   9.270
  259    HD1  LEU  41           HD1      LEU  41  -2.032   9.047  10.233
  260    HD1  LEU  41           HD1      LEU  41  -1.189   8.950   8.681
  261    HD2  LEU  41           HD2      LEU  41   1.662   8.701  10.907
  262    HD2  LEU  41           HD2      LEU  41   0.864   9.588   9.662
  263    HD2  LEU  41           HD2      LEU  41   0.247   9.700  11.332
  264    H    CYS  42           H        CYS  42   0.815   8.020  13.549
  265    HA   CYS  42           HA       CYS  42   3.617   7.258  14.003
  266   1HB   CYS  42           HB2      CYS  42   3.507   8.945  12.135
  267   2HB   CYS  42           HB3      CYS  42   2.713  10.046  13.239
  268    H    HIS  43           H        HIS  43   4.306   9.213  15.829
  269    HA   HIS  43           HA       HIS  43   2.182  10.209  17.451
  270   1HB   HIS  43           HB2      HIS  43   1.995   7.794  18.226
  271   2HB   HIS  43           HB3      HIS  43   3.722   7.788  18.584
  272    HD1  HIS  43           HD1      HIS  43   0.507   9.507  19.778
  273    HD2  HIS  43           HD2      HIS  43   4.483   8.745  20.936
  274    HE1  HIS  43           HE1      HIS  43   0.772  10.402  22.202
  275    H    GLN  44           H        GLN  44   3.056  12.085  18.186
  276    HA   GLN  44           HA       GLN  44   5.941  12.392  18.095
  277   1HB   GLN  44           HB2      GLN  44   3.836  14.084  17.594
  278   2HB   GLN  44           HB3      GLN  44   4.375  14.694  19.143
  279   1HG   GLN  44           HG2      GLN  44   6.093  14.259  16.655
  280   2HG   GLN  44           HG3      GLN  44   5.484  15.804  17.234
  281    HE2  GLN  44           HE2      GLN  44   6.993  17.021  18.417
  282    HE2  GLN  44           HE2      GLN  44   8.357  16.235  19.233
  283    H    HIS  45           H        HIS  45   6.211  10.703  19.682
  284    HA   HIS  45           HA       HIS  45   6.699   9.838  21.762
  285   1HB   HIS  45           HB2      HIS  45   8.527  11.499  21.115
  286   2HB   HIS  45           HB3      HIS  45   7.820  12.609  22.284
  287    HD1  HIS  45           HD1      HIS  45   7.310  10.273  24.531
  288    HD2  HIS  45           HD2      HIS  45  10.822  11.140  22.387
  289    HE1  HIS  45           HE1      HIS  45   9.297   9.362  25.938
  Start of MODEL   11
    1    H    GLY   1           H        GLY   1  -2.100   6.485   4.808
    2   1HA   GLY   1           HA1      GLY   1   0.302   5.289   5.527
    3   2HA   GLY   1           HA2      GLY   1  -1.284   4.532   5.684
    4    H    SER   2           H        SER   2  -0.998   4.992   2.478
    5    HA   SER   2           HA       SER   2   0.998   3.205   1.558
    6   1HB   SER   2           HB2      SER   2  -1.737   1.923   1.820
    7   2HB   SER   2           HB3      SER   2  -0.550   1.398   0.606
    8    HG   SER   2           HG       SER   2   0.191   1.726   3.316
    9    HA   PRO   3           HA       PRO   3  -1.503   4.742  -2.191
   10   1HB   PRO   3           HB2      PRO   3  -3.956   5.944  -1.928
   11   2HB   PRO   3           HB3      PRO   3  -3.760   4.167  -2.045
   12   1HG   PRO   3           HG2      PRO   3  -4.032   5.851   0.471
   13   2HG   PRO   3           HG3      PRO   3  -4.976   4.395   0.012
   14   1HD   PRO   3           HD2      PRO   3  -2.836   4.226   1.650
   15   2HD   PRO   3           HD3      PRO   3  -3.147   2.966   0.422
   16    HA   PRO   4           HA       PRO   4  -0.305   9.083  -1.533
   17   1HB   PRO   4           HB2      PRO   4  -1.005  10.292  -3.853
   18   2HB   PRO   4           HB3      PRO   4   0.232   9.004  -3.794
   19   1HG   PRO   4           HG2      PRO   4  -2.707   8.688  -4.485
   20   2HG   PRO   4           HG3      PRO   4  -1.285   8.133  -5.429
   21   1HD   PRO   4           HD2      PRO   4  -2.602   6.477  -3.725
   22   2HD   PRO   4           HD3      PRO   4  -0.826   6.398  -3.896
   23    H    GLN   5           H        GLN   5  -1.928   8.812   0.084
   24    HA   GLN   5           HA       GLN   5  -4.300   9.119   0.800
   25   1HB   GLN   5           HB2      GLN   5  -2.322  11.154   1.890
   26   2HB   GLN   5           HB3      GLN   5  -3.714  10.483   2.693
   27   1HG   GLN   5           HG2      GLN   5  -2.021   9.253   3.651
   28   2HG   GLN   5           HG3      GLN   5  -2.507   8.163   2.359
   29    HE2  GLN   5           HE2      GLN   5  -0.137   7.467   3.204
   30    HE2  GLN   5           HE2      GLN   5   1.127   8.161   2.164
   31    H    CYS   6           H        CYS   6  -2.827  12.121  -0.252
   32    HA   CYS   6           HA       CYS   6  -5.439  13.411  -0.904
   33   1HB   CYS   6           HB2      CYS   6  -4.351  13.972   1.521
   34   2HB   CYS   6           HB3      CYS   6  -3.385  15.057   0.567
   35    H    GLN   7           H        GLN   7  -1.959  13.626  -0.797
   36    HA   GLN   7           HA       GLN   7  -1.675  14.047  -3.648
   37   1HB   GLN   7           HB2      GLN   7   0.084  15.610  -1.736
   38   2HB   GLN   7           HB3      GLN   7  -0.231  15.891  -3.447
   39   1HG   GLN   7           HG2      GLN   7  -2.602  16.587  -2.814
   40   2HG   GLN   7           HG3      GLN   7  -2.113  16.508  -1.137
   41    HE2  GLN   7           HE2      GLN   7  -0.615  18.090  -0.209
   42    HE2  GLN   7           HE2      GLN   7  -0.269  19.525  -1.211
   43    HA   PRO   8           HA       PRO   8   1.236  10.812  -2.726
   44   1HB   PRO   8           HB2      PRO   8   3.491  11.160  -4.213
   45   2HB   PRO   8           HB3      PRO   8   1.882  10.867  -4.935
   46   1HG   PRO   8           HG2      PRO   8   3.259  13.538  -4.513
   47   2HG   PRO   8           HG3      PRO   8   2.495  12.913  -6.010
   48   1HD   PRO   8           HD2      PRO   8   1.202  14.577  -4.297
   49   2HD   PRO   8           HD3      PRO   8   0.323  13.280  -5.163
   50    H    GLY   9           H        GLY   9   1.262  11.517  -0.508
   51   1HA   GLY   9           HA1      GLY   9   3.294  11.121   1.125
   52   2HA   GLY   9           HA2      GLY   9   3.858  12.662   0.460
   53    H    GLU  10           H        GLU  10   0.639  11.529   1.650
   54    HA   GLU  10           HA       GLU  10   0.527  13.928   3.427
   55   1HB   GLU  10           HB2      GLU  10  -1.440  13.062   1.291
   56   2HB   GLU  10           HB3      GLU  10  -1.857  14.254   2.506
   57   1HG   GLU  10           HG2      GLU  10   0.462  14.534   0.518
   58   2HG   GLU  10           HG3      GLU  10  -1.167  15.104   0.305
   59    H    PHE  11           H        PHE  11  -2.172  13.567   4.487
   60    HA   PHE  11           HA       PHE  11  -1.966  10.965   5.703
   61   1HB   PHE  11           HB2      PHE  11  -1.265  12.533   7.180
   62   2HB   PHE  11           HB3      PHE  11  -2.533  13.659   6.868
   63    HD1  PHE  11           HD1      PHE  11  -2.887   9.929   7.519
   64    HD2  PHE  11           HD2      PHE  11  -3.376  13.924   9.113
   65    HE1  PHE  11           HE1      PHE  11  -4.271   9.036   9.334
   66    HE2  PHE  11           HE2      PHE  11  -4.685  12.969  10.974
   67    HZ   PHE  11           HZ       PHE  11  -5.172  10.580  11.072
   68    H    ALA  12           H        ALA  12  -3.405   9.613   5.496
   69    HA   ALA  12           HA       ALA  12  -6.197  10.234   4.732
   70   1HB   ALA  12           HB1      ALA  12  -5.085   8.675   3.238
   71   2HB   ALA  12           HB2      ALA  12  -4.601   7.648   4.610
   72   3HB   ALA  12           HB3      ALA  12  -6.314   7.823   4.179
   73    H    CYS  13           H        CYS  13  -7.387  10.563   6.455
   74    HA   CYS  13           HA       CYS  13  -6.984   9.346   9.097
   75   1HB   CYS  13           HB2      CYS  13  -7.607  11.684   8.831
   76   2HB   CYS  13           HB3      CYS  13  -8.985  11.205   7.853
   77    H    ALA  14           H        ALA  14  -8.019   7.526   9.785
   78    HA   ALA  14           HA       ALA  14  -9.884   5.965   8.441
   79   1HB   ALA  14           HB1      ALA  14 -10.250   4.932  10.633
   80   2HB   ALA  14           HB2      ALA  14  -8.526   5.277  10.387
   81   3HB   ALA  14           HB3      ALA  14  -9.509   6.325  11.440
   82    H    ASN  15           H        ASN  15 -10.660   8.991  10.133
   83    HA   ASN  15           HA       ASN  15 -13.505   8.449  10.336
   84   1HB   ASN  15           HB2      ASN  15 -12.423  10.240  11.659
   85   2HB   ASN  15           HB3      ASN  15 -12.057  11.148  10.211
   86    HD2  ASN  15           HD2      ASN  15 -14.877   9.781  11.993
   87    HD2  ASN  15           HD2      ASN  15 -15.925  11.093  11.448
   88    H    SER  16           H        SER  16 -11.424   9.326   7.741
   89    HA   SER  16           HA       SER  16 -11.948   8.409   5.615
   90   1HB   SER  16           HB2      SER  16 -14.547   9.972   5.581
   91   2HB   SER  16           HB3      SER  16 -13.913   8.900   4.320
   92    HG   SER  16           HG       SER  16 -14.728   8.276   6.934
   93    H    ARG  17           H        ARG  17 -10.236  10.216   6.300
   94    HA   ARG  17           HA       ARG  17 -10.881  12.734   4.731
   95   1HB   ARG  17           HB2      ARG  17  -9.381  13.133   7.279
   96   2HB   ARG  17           HB3      ARG  17 -10.383  14.234   6.394
   97   1HG   ARG  17           HG2      ARG  17 -11.461  11.850   7.962
   98   2HG   ARG  17           HG3      ARG  17 -11.289  13.456   8.622
   99   1HD   ARG  17           HD2      ARG  17 -12.935  12.977   6.114
  100   2HD   ARG  17           HD3      ARG  17 -13.615  12.732   7.713
  101    HE   ARG  17           HE       ARG  17 -12.817  15.285   6.477
  102    HH1  ARG  17           HH1      ARG  17 -13.308  17.206   7.485
  103    HH1  ARG  17           HH1      ARG  17 -14.009  17.194   9.075
  104    HH2  ARG  17           HH2      ARG  17 -14.391  15.314  10.168
  105    HH2  ARG  17           HH2      ARG  17 -14.046  13.765   9.463
  106    H    CYS  18           H        CYS  18  -9.532  13.828   3.483
  107    HA   CYS  18           HA       CYS  18  -6.684  13.019   3.682
  108   1HB   CYS  18           HB2      CYS  18  -6.232  13.073   1.662
  109   2HB   CYS  18           HB3      CYS  18  -7.911  12.628   1.474
  110    H    ILE  19           H        ILE  19  -5.472  14.166   4.729
  111    HA   ILE  19           HA       ILE  19  -5.509  17.140   4.576
  112    HB   ILE  19           HB       ILE  19  -4.789  17.079   7.046
  113    HG2  ILE  19           HG2      ILE  19  -7.706  16.608   6.311
  114    HG2  ILE  19           HG2      ILE  19  -7.136  17.254   7.864
  115    HG2  ILE  19           HG2      ILE  19  -6.837  18.154   6.366
  116    HG1  ILE  19           HG1      ILE  19  -4.698  14.485   7.054
  117    HG1  ILE  19           HG1      ILE  19  -5.222  15.348   8.471
  118    HD1  ILE  19           HD1      ILE  19  -7.527  14.777   8.124
  119    HD1  ILE  19           HD1      ILE  19  -7.148  14.002   6.569
  120    HD1  ILE  19           HD1      ILE  19  -6.506  13.332   8.072
  121    H    GLN  20           H        GLN  20  -3.342  17.861   5.486
  122    HA   GLN  20           HA       GLN  20  -1.391  16.331   4.007
  123   1HB   GLN  20           HB2      GLN  20  -0.077  18.479   4.156
  124   2HB   GLN  20           HB3      GLN  20  -1.675  18.662   3.424
  125   1HG   GLN  20           HG2      GLN  20  -2.579  19.655   5.457
  126   2HG   GLN  20           HG3      GLN  20  -1.122  19.250   6.357
  127    HE2  GLN  20           HE2      GLN  20  -0.603  20.589   3.126
  128    HE2  GLN  20           HE2      GLN  20  -0.155  22.175   3.761
  129    H    GLU  21           H        GLU  21   0.656  15.950   4.585
  130    HA   GLU  21           HA       GLU  21   0.924  14.433   6.917
  131   1HB   GLU  21           HB2      GLU  21   2.037  13.869   4.932
  132   2HB   GLU  21           HB3      GLU  21   2.883  15.413   4.819
  133   1HG   GLU  21           HG2      GLU  21   4.456  14.833   6.415
  134   2HG   GLU  21           HG3      GLU  21   3.453  13.626   7.171
  135    H    ARG  22           H        ARG  22   1.538  17.774   6.680
  136    HA   ARG  22           HA       ARG  22   3.221  18.275   8.974
  137   1HB   ARG  22           HB2      ARG  22   2.698  20.137   7.695
  138   2HB   ARG  22           HB3      ARG  22   0.991  19.727   7.581
  139   1HG   ARG  22           HG2      ARG  22   0.666  20.308   9.970
  140   2HG   ARG  22           HG3      ARG  22   2.382  20.770  10.094
  141   1HD   ARG  22           HD2      ARG  22   2.088  22.687   8.819
  142   2HD   ARG  22           HD3      ARG  22   0.787  21.976   7.871
  143    HE   ARG  22           HE       ARG  22   0.441  22.801  10.724
  144    HH1  ARG  22           HH1      ARG  22  -1.479  23.701  11.324
  145    HH1  ARG  22           HH1      ARG  22  -2.705  24.032  10.145
  146    HH2  ARG  22           HH2      ARG  22  -2.358  23.659   7.995
  147    HH2  ARG  22           HH2      ARG  22  -0.951  22.802   7.423
  148    H    TRP  23           H        TRP  23  -0.069  16.947   8.828
  149    HA   TRP  23           HA       TRP  23  -0.502  17.323  11.699
  150   1HB   TRP  23           HB2      TRP  23  -2.294  16.192   9.536
  151   2HB   TRP  23           HB3      TRP  23  -2.736  16.801  11.122
  152    HD1  TRP  23           HD1      TRP  23  -0.694  19.083   8.843
  153    HE1  TRP  23           HE1      TRP  23  -2.083  21.041   8.064
  154    HE3  TRP  23           HE3      TRP  23  -5.290  17.449  10.336
  155    HZ2  TRP  23           HZ2      TRP  23  -4.826  21.852   8.102
  156    HZ3  TRP  23           HZ3      TRP  23  -7.281  18.839   9.956
  157    HH2  TRP  23           HH2      TRP  23  -7.077  21.052   8.833
  158    H    LYS  24           H        LYS  24   1.079  14.866   9.796
  159    HA   LYS  24           HA       LYS  24   0.238  12.588  11.407
  160   1HB   LYS  24           HB2      LYS  24   2.551  13.085   9.466
  161   2HB   LYS  24           HB3      LYS  24   2.180  11.544  10.223
  162   1HG   LYS  24           HG2      LYS  24   0.038  11.402   9.001
  163   2HG   LYS  24           HG3      LYS  24   0.294  13.039   8.427
  164   1HD   LYS  24           HD2      LYS  24   1.264  12.269   6.612
  165   2HD   LYS  24           HD3      LYS  24   2.618  11.727   7.608
  166   1HE   LYS  24           HE2      LYS  24   1.837   9.518   7.697
  167   2HE   LYS  24           HE3      LYS  24   0.252   9.957   7.009
  168   1HZ   LYS  24           HZ1      LYS  24   2.059   9.056   5.402
  169   2HZ   LYS  24           HZ2      LYS  24   1.207  10.412   4.957
  170   3HZ   LYS  24           HZ3      LYS  24   2.722  10.585   5.525
  171    H    CYS  25           H        CYS  25   1.354  12.094  13.262
  172    HA   CYS  25           HA       CYS  25   2.960  12.098  14.880
  173   1HB   CYS  25           HB2      CYS  25   4.827  13.738  13.143
  174   2HB   CYS  25           HB3      CYS  25   5.225  12.547  14.354
  175    H    ASP  26           H        ASP  26   1.191  14.648  14.412
  176    HA   ASP  26           HA       ASP  26   2.933  16.922  15.088
  177   1HB   ASP  26           HB2      ASP  26   1.409  18.004  13.922
  178   2HB   ASP  26           HB3      ASP  26   0.549  16.540  13.602
  179    H    GLY  27           H        GLY  27   0.405  14.922  16.499
  180   1HA   GLY  27           HA1      GLY  27   0.627  14.411  18.913
  181   2HA   GLY  27           HA2      GLY  27   0.942  16.121  19.203
  182    H    ASP  28           H        ASP  28  -1.599  16.172  16.890
  183    HA   ASP  28           HA       ASP  28  -3.594  15.530  18.999
  184   1HB   ASP  28           HB2      ASP  28  -3.401  17.997  18.522
  185   2HB   ASP  28           HB3      ASP  28  -4.040  17.658  16.913
  186    H    ASN  29           H        ASN  29  -5.474  14.787  18.446
  187    HA   ASN  29           HA       ASN  29  -5.786  12.901  16.249
  188   1HB   ASN  29           HB2      ASN  29  -8.273  13.688  17.683
  189   2HB   ASN  29           HB3      ASN  29  -7.594  12.144  17.342
  190    HD2  ASN  29           HD2      ASN  29  -6.731  14.973  19.659
  191    HD2  ASN  29           HD2      ASN  29  -6.558  13.760  20.935
  192    H    ASP  30           H        ASP  30  -5.088  14.796  14.813
  193    HA   ASP  30           HA       ASP  30  -6.973  16.896  14.204
  194   1HB   ASP  30           HB2      ASP  30  -5.407  17.411  12.522
  195   2HB   ASP  30           HB3      ASP  30  -4.467  16.743  13.852
  196    H    CYS  31           H        CYS  31  -6.581  13.635  13.295
  197    HA   CYS  31           HA       CYS  31  -8.604  13.309  11.321
  198   1HB   CYS  31           HB2      CYS  31  -6.745  11.835  11.712
  199   2HB   CYS  31           HB3      CYS  31  -7.281  11.451  13.340
  200    H    LEU  32           H        LEU  32  -9.052  14.081  14.608
  201    HA   LEU  32           HA       LEU  32 -10.687  14.078  16.067
  202   1HB   LEU  32           HB2      LEU  32 -12.622  14.835  15.357
  203   2HB   LEU  32           HB3      LEU  32 -11.877  14.776  13.771
  204    HG   LEU  32           HG       LEU  32 -12.987  12.357  13.626
  205    HD1  LEU  32           HD1      LEU  32 -15.175  12.271  14.732
  206    HD1  LEU  32           HD1      LEU  32 -13.906  12.327  15.954
  207    HD1  LEU  32           HD1      LEU  32 -14.836  13.791  15.588
  208    HD2  LEU  32           HD2      LEU  32 -14.966  13.410  12.614
  209    HD2  LEU  32           HD2      LEU  32 -14.536  14.961  13.375
  210    HD2  LEU  32           HD2      LEU  32 -13.467  14.227  12.150
  211    H    ASP  33           H        ASP  33 -10.813  11.243  14.038
  212    HA   ASP  33           HA       ASP  33 -11.908   9.454  16.137
  213   1HB   ASP  33           HB2      ASP  33 -12.533   9.370  13.717
  214   2HB   ASP  33           HB3      ASP  33 -10.864   8.970  13.308
  215    H    ASN  34           H        ASN  34  -9.026  10.795  15.288
  216    HA   ASN  34           HA       ASN  34  -6.817  10.568  15.578
  217   1HB   ASN  34           HB2      ASN  34  -7.511   9.929  17.962
  218   2HB   ASN  34           HB3      ASN  34  -7.302   8.247  17.470
  219    HD2  ASN  34           HD2      ASN  34  -5.632   8.377  19.306
  220    HD2  ASN  34           HD2      ASN  34  -4.012   8.879  18.783
  221    H    SER  35           H        SER  35  -5.363   9.875  14.078
  222    HA   SER  35           HA       SER  35  -5.078   7.013  13.882
  223   1HB   SER  35           HB2      SER  35  -5.934   8.735  11.541
  224   2HB   SER  35           HB3      SER  35  -4.949   7.296  11.321
  225    HG   SER  35           HG       SER  35  -7.181   7.101  12.996
  226    H    ASP  36           H        ASP  36  -3.989  10.154  12.723
  227    HA   ASP  36           HA       ASP  36  -1.255   9.873  12.296
  228   1HB   ASP  36           HB2      ASP  36  -1.403  12.204  13.448
  229   2HB   ASP  36           HB3      ASP  36  -2.196  11.978  11.910
  230    H    GLU  37           H        GLU  37  -2.830  10.780  15.332
  231    HA   GLU  37           HA       GLU  37  -0.481   9.865  16.755
  232   1HB   GLU  37           HB2      GLU  37  -2.720  11.278  18.097
  233   2HB   GLU  37           HB3      GLU  37  -0.961  11.356  18.343
  234   1HG   GLU  37           HG2      GLU  37  -2.441  12.448  15.956
  235   2HG   GLU  37           HG3      GLU  37  -1.957  13.397  17.320
  236    H    ALA  38           H        ALA  38  -2.550   7.753  15.634
  237    HA   ALA  38           HA       ALA  38  -2.413   6.241  18.135
  238   1HB   ALA  38           HB1      ALA  38  -3.779   4.643  16.769
  239   2HB   ALA  38           HB2      ALA  38  -4.610   6.202  17.010
  240   3HB   ALA  38           HB3      ALA  38  -3.829   5.851  15.459
  241    HA   PRO  39           HA       PRO  39   1.572   5.592  16.091
  242   1HB   PRO  39           HB2      PRO  39   2.667   3.650  17.723
  243   2HB   PRO  39           HB3      PRO  39   2.446   5.351  18.189
  244   1HG   PRO  39           HG2      PRO  39   0.601   3.016  18.762
  245   2HG   PRO  39           HG3      PRO  39   1.238   4.234  19.918
  246   1HD   PRO  39           HD2      PRO  39  -1.220   4.494  18.838
  247   2HD   PRO  39           HD3      PRO  39  -0.171   5.929  19.045
  248    H    ALA  40           H        ALA  40  -0.737   4.029  15.153
  249    HA   ALA  40           HA       ALA  40   0.525   1.750  13.700
  250   1HB   ALA  40           HB1      ALA  40  -2.284   2.953  13.548
  251   2HB   ALA  40           HB2      ALA  40  -1.690   1.567  12.607
  252   3HB   ALA  40           HB3      ALA  40  -1.843   1.436  14.370
  253    H    LEU  41           H        LEU  41  -0.239   5.161  13.641
  254    HA   LEU  41           HA       LEU  41   0.932   5.417  10.926
  255   1HB   LEU  41           HB2      LEU  41  -1.375   6.391  11.408
  256   2HB   LEU  41           HB3      LEU  41  -0.585   7.608  12.399
  257    HG   LEU  41           HG       LEU  41   0.297   7.064   9.550
  258    HD1  LEU  41           HD1      LEU  41  -1.106   8.866   8.738
  259    HD1  LEU  41           HD1      LEU  41  -2.111   7.609   9.479
  260    HD1  LEU  41           HD1      LEU  41  -1.778   9.119  10.352
  261    HD2  LEU  41           HD2      LEU  41   0.708   9.408  11.404
  262    HD2  LEU  41           HD2      LEU  41   1.915   8.369  10.588
  263    HD2  LEU  41           HD2      LEU  41   0.963   9.489   9.653
  264    H    CYS  42           H        CYS  42   0.946   7.898  13.693
  265    HA   CYS  42           HA       CYS  42   3.859   7.372  13.774
  266   1HB   CYS  42           HB2      CYS  42   3.119   9.170  12.150
  267   2HB   CYS  42           HB3      CYS  42   2.651  10.120  13.558
  268    H    HIS  43           H        HIS  43   1.326   9.387  15.432
  269    HA   HIS  43           HA       HIS  43   1.274  10.281  17.525
  270   1HB   HIS  43           HB2      HIS  43   0.734   7.938  18.015
  271   2HB   HIS  43           HB3      HIS  43   2.441   7.593  18.261
  272    HD1  HIS  43           HD1      HIS  43   3.545   9.414  20.206
  273    HD2  HIS  43           HD2      HIS  43  -0.459   8.163  20.371
  274    HE1  HIS  43           HE1      HIS  43   2.756   9.740  22.666
  275    H    GLN  44           H        GLN  44   2.453  12.024  17.318
  276    HA   GLN  44           HA       GLN  44   4.047  13.573  17.919
  277   1HB   GLN  44           HB2      GLN  44   4.562  11.646  20.203
  278   2HB   GLN  44           HB3      GLN  44   5.073  13.330  20.124
  279   1HG   GLN  44           HG2      GLN  44   2.680  14.030  19.976
  280   2HG   GLN  44           HG3      GLN  44   2.196  12.335  20.184
  281    HE2  GLN  44           HE2      GLN  44   3.191  15.247  21.873
  282    HE2  GLN  44           HE2      GLN  44   3.311  14.426  23.438
  283    H    HIS  45           H        HIS  45   5.451  13.567  16.221
  284    HA   HIS  45           HA       HIS  45   7.222  13.020  14.857
  285   1HB   HIS  45           HB2      HIS  45   8.220  14.583  16.463
  286   2HB   HIS  45           HB3      HIS  45   8.719  13.229  17.483
  287    HD1  HIS  45           HD1      HIS  45  11.169  12.509  17.014
  288    HD2  HIS  45           HD2      HIS  45   9.221  14.214  13.695
  289    HE1  HIS  45           HE1      HIS  45  12.878  12.570  15.101
  Start of MODEL   12
    1    H    GLY   1           H        GLY   1   3.671  -0.069  -5.667
    2   1HA   GLY   1           HA1      GLY   1   2.794   2.418  -6.647
    3   2HA   GLY   1           HA2      GLY   1   1.374   1.380  -6.416
    4    H    SER   2           H        SER   2   1.170   3.442  -4.858
    5    HA   SER   2           HA       SER   2   1.209   2.337  -2.223
    6   1HB   SER   2           HB2      SER   2   3.123   4.618  -2.861
    7   2HB   SER   2           HB3      SER   2   2.479   4.369  -1.228
    8    HG   SER   2           HG       SER   2   3.552   2.171  -2.629
    9    HA   PRO   3           HA       PRO   3  -2.241   5.080  -2.176
   10   1HB   PRO   3           HB2      PRO   3  -2.778   5.482   0.467
   11   2HB   PRO   3           HB3      PRO   3  -2.974   3.904  -0.349
   12   1HG   PRO   3           HG2      PRO   3  -0.620   4.850   1.317
   13   2HG   PRO   3           HG3      PRO   3  -1.500   3.294   1.425
   14   1HD   PRO   3           HD2      PRO   3   0.831   3.558   0.028
   15   2HD   PRO   3           HD3      PRO   3  -0.473   2.465  -0.521
   16    HA   PRO   4           HA       PRO   4  -0.109   9.117  -1.840
   17   1HB   PRO   4           HB2      PRO   4  -1.904  10.653  -3.257
   18   2HB   PRO   4           HB3      PRO   4  -0.771   9.508  -4.034
   19   1HG   PRO   4           HG2      PRO   4  -3.689   9.080  -3.349
   20   2HG   PRO   4           HG3      PRO   4  -2.840   8.709  -4.880
   21   1HD   PRO   4           HD2      PRO   4  -3.308   6.819  -2.959
   22   2HD   PRO   4           HD3      PRO   4  -1.836   6.793  -3.975
   23    H    GLN   5           H        GLN   5  -3.550   8.839  -1.300
   24    HA   GLN   5           HA       GLN   5  -4.863   9.057   0.470
   25   1HB   GLN   5           HB2      GLN   5  -2.440  10.038   2.001
   26   2HB   GLN   5           HB3      GLN   5  -4.035   9.753   2.679
   27   1HG   GLN   5           HG2      GLN   5  -3.858   7.374   1.684
   28   2HG   GLN   5           HG3      GLN   5  -2.139   7.723   1.463
   29    HE2  GLN   5           HE2      GLN   5  -3.060   5.541   3.058
   30    HE2  GLN   5           HE2      GLN   5  -2.694   5.977   4.729
   31    H    CYS   6           H        CYS   6  -3.264  11.958  -0.589
   32    HA   CYS   6           HA       CYS   6  -5.857  13.359  -0.588
   33   1HB   CYS   6           HB2      CYS   6  -4.671  13.768   1.738
   34   2HB   CYS   6           HB3      CYS   6  -3.601  14.792   0.831
   35    H    GLN   7           H        GLN   7  -2.413  13.786  -0.845
   36    HA   GLN   7           HA       GLN   7  -2.453  14.548  -3.661
   37   1HB   GLN   7           HB2      GLN   7  -0.547  15.926  -1.758
   38   2HB   GLN   7           HB3      GLN   7  -1.075  16.413  -3.370
   39   1HG   GLN   7           HG2      GLN   7  -3.380  16.889  -2.371
   40   2HG   GLN   7           HG3      GLN   7  -2.673  16.628  -0.792
   41    HE2  GLN   7           HE2      GLN   7  -0.976  18.093   0.066
   42    HE2  GLN   7           HE2      GLN   7  -0.856  19.681  -0.738
   43    HA   PRO   8           HA       PRO   8   0.592  11.368  -3.545
   44   1HB   PRO   8           HB2      PRO   8   2.822  11.986  -4.962
   45   2HB   PRO   8           HB3      PRO   8   1.192  11.927  -5.688
   46   1HG   PRO   8           HG2      PRO   8   2.667  14.378  -4.670
   47   2HG   PRO   8           HG3      PRO   8   1.880  14.147  -6.265
   48   1HD   PRO   8           HD2      PRO   8   0.645  15.394  -4.182
   49   2HD   PRO   8           HD3      PRO   8  -0.279  14.375  -5.332
   50    H    GLY   9           H        GLY   9   0.611  11.835  -1.121
   51   1HA   GLY   9           HA1      GLY   9   2.634  10.787   0.251
   52   2HA   GLY   9           HA2      GLY   9   3.346  12.375  -0.062
   53    H    GLU  10           H        GLU  10   0.016  11.387   1.017
   54    HA   GLU  10           HA       GLU  10   0.268  13.464   3.161
   55   1HB   GLU  10           HB2      GLU  10  -1.917  12.935   1.139
   56   2HB   GLU  10           HB3      GLU  10  -2.131  14.059   2.466
   57   1HG   GLU  10           HG2      GLU  10   0.036  14.324   0.305
   58   2HG   GLU  10           HG3      GLU  10  -1.548  15.047   0.293
   59    H    PHE  11           H        PHE  11  -2.382  13.235   4.370
   60    HA   PHE  11           HA       PHE  11  -2.261  10.555   5.440
   61   1HB   PHE  11           HB2      PHE  11  -1.315  12.073   6.899
   62   2HB   PHE  11           HB3      PHE  11  -2.566  13.248   6.701
   63    HD1  PHE  11           HD1      PHE  11  -3.226   9.571   7.395
   64    HD2  PHE  11           HD2      PHE  11  -3.018  13.581   9.008
   65    HE1  PHE  11           HE1      PHE  11  -4.539   8.868   9.351
   66    HE2  PHE  11           HE2      PHE  11  -4.316  12.843  10.956
   67    HZ   PHE  11           HZ       PHE  11  -5.117  10.533  11.129
   68    H    ALA  12           H        ALA  12  -3.822   9.314   5.218
   69    HA   ALA  12           HA       ALA  12  -6.627  10.212   4.901
   70   1HB   ALA  12           HB1      ALA  12  -7.092   7.860   4.375
   71   2HB   ALA  12           HB2      ALA  12  -5.862   8.542   3.303
   72   3HB   ALA  12           HB3      ALA  12  -5.386   7.455   4.637
   73    H    CYS  13           H        CYS  13  -7.629  10.613   6.683
   74    HA   CYS  13           HA       CYS  13  -7.146   9.401   9.316
   75   1HB   CYS  13           HB2      CYS  13  -7.730  11.742   9.102
   76   2HB   CYS  13           HB3      CYS  13  -9.159  11.311   8.148
   77    H    ALA  14           H        ALA  14  -8.151   7.545   9.966
   78    HA   ALA  14           HA       ALA  14 -10.093   6.093   8.572
   79   1HB   ALA  14           HB1      ALA  14 -10.299   4.826  10.650
   80   2HB   ALA  14           HB2      ALA  14  -8.597   5.224  10.341
   81   3HB   ALA  14           HB3      ALA  14  -9.519   6.133  11.558
   82    H    ASN  15           H        ASN  15 -10.743   9.013  10.441
   83    HA   ASN  15           HA       ASN  15 -13.584   8.418  10.805
   84   1HB   ASN  15           HB2      ASN  15 -12.299  10.138  12.123
   85   2HB   ASN  15           HB3      ASN  15 -12.275  11.194  10.733
   86    HD2  ASN  15           HD2      ASN  15 -14.786  11.421   9.777
   87    HD2  ASN  15           HD2      ASN  15 -15.882  11.739  11.129
   88    H    SER  16           H        SER  16 -11.605   9.439   8.189
   89    HA   SER  16           HA       SER  16 -12.180   8.727   6.029
   90   1HB   SER  16           HB2      SER  16 -14.832  10.186   6.199
   91   2HB   SER  16           HB3      SER  16 -14.206   9.226   4.847
   92    HG   SER  16           HG       SER  16 -14.916   8.398   7.437
   93    H    ARG  17           H        ARG  17 -10.475  10.431   6.708
   94    HA   ARG  17           HA       ARG  17 -11.083  12.999   5.202
   95   1HB   ARG  17           HB2      ARG  17  -9.381  13.294   7.640
   96   2HB   ARG  17           HB3      ARG  17 -10.263  14.487   6.760
   97   1HG   ARG  17           HG2      ARG  17 -11.486  12.370   8.582
   98   2HG   ARG  17           HG3      ARG  17 -11.186  14.050   8.987
   99   1HD   ARG  17           HD2      ARG  17 -13.275  12.951   7.091
  100   2HD   ARG  17           HD3      ARG  17 -13.500  13.837   8.574
  101    HE   ARG  17           HE       ARG  17 -12.720  15.856   7.516
  102    HH1  ARG  17           HH1      ARG  17 -13.043  17.245   5.819
  103    HH1  ARG  17           HH1      ARG  17 -13.426  16.625   4.245
  104    HH2  ARG  17           HH2      ARG  17 -13.668  14.459   3.875
  105    HH2  ARG  17           HH2      ARG  17 -13.340  13.285   5.116
  106    H    CYS  18           H        CYS  18  -9.759  14.030   3.879
  107    HA   CYS  18           HA       CYS  18  -6.963  13.032   3.875
  108   1HB   CYS  18           HB2      CYS  18  -6.642  13.196   1.854
  109   2HB   CYS  18           HB3      CYS  18  -8.369  12.920   1.704
  110    H    ILE  19           H        ILE  19  -5.615  14.035   4.918
  111    HA   ILE  19           HA       ILE  19  -5.519  17.014   4.912
  112    HB   ILE  19           HB       ILE  19  -4.632  16.847   7.320
  113    HG2  ILE  19           HG2      ILE  19  -6.796  17.857   6.886
  114    HG2  ILE  19           HG2      ILE  19  -7.588  16.283   6.676
  115    HG2  ILE  19           HG2      ILE  19  -7.016  16.760   8.268
  116    HG1  ILE  19           HG1      ILE  19  -4.503  14.238   7.132
  117    HG1  ILE  19           HG1      ILE  19  -4.873  15.020   8.635
  118    HD1  ILE  19           HD1      ILE  19  -7.176  14.372   8.555
  119    HD1  ILE  19           HD1      ILE  19  -7.009  13.774   6.888
  120    HD1  ILE  19           HD1      ILE  19  -6.163  12.962   8.207
  121    H    GLN  20           H        GLN  20  -3.359  17.654   5.473
  122    HA   GLN  20           HA       GLN  20  -1.465  16.176   3.914
  123   1HB   GLN  20           HB2      GLN  20  -0.172  18.302   4.052
  124   2HB   GLN  20           HB3      GLN  20  -1.847  18.581   3.577
  125   1HG   GLN  20           HG2      GLN  20  -2.328  19.138   6.064
  126   2HG   GLN  20           HG3      GLN  20  -0.585  19.096   6.308
  127    HE2  GLN  20           HE2      GLN  20  -3.208  20.809   4.509
  128    HE2  GLN  20           HE2      GLN  20  -2.235  22.269   4.353
  129    H    GLU  21           H        GLU  21   0.489  15.498   4.501
  130    HA   GLU  21           HA       GLU  21   0.703  13.993   6.870
  131   1HB   GLU  21           HB2      GLU  21   1.678  13.327   4.825
  132   2HB   GLU  21           HB3      GLU  21   2.688  14.768   4.705
  133   1HG   GLU  21           HG2      GLU  21   4.221  14.005   6.268
  134   2HG   GLU  21           HG3      GLU  21   3.093  12.935   7.059
  135    H    ARG  22           H        ARG  22   1.610  17.337   6.561
  136    HA   ARG  22           HA       ARG  22   3.363  17.467   8.854
  137   1HB   ARG  22           HB2      ARG  22   3.502  19.466   7.954
  138   2HB   ARG  22           HB3      ARG  22   1.980  19.297   7.081
  139   1HG   ARG  22           HG2      ARG  22   0.715  19.956   8.984
  140   2HG   ARG  22           HG3      ARG  22   2.161  20.072  10.009
  141   1HD   ARG  22           HD2      ARG  22   1.369  22.264   9.250
  142   2HD   ARG  22           HD3      ARG  22   3.050  21.899   8.835
  143    HE   ARG  22           HE       ARG  22   0.916  21.511   6.758
  144    HH1  ARG  22           HH1      ARG  22   1.085  22.430   4.927
  145    HH1  ARG  22           HH1      ARG  22   2.328  23.626   4.535
  146    HH2  ARG  22           HH2      ARG  22   3.792  24.208   6.188
  147    HH2  ARG  22           HH2      ARG  22   3.664  23.455   7.759
  148    H    TRP  23           H        TRP  23  -0.067  16.654   8.714
  149    HA   TRP  23           HA       TRP  23  -0.399  17.118  11.557
  150   1HB   TRP  23           HB2      TRP  23  -2.334  15.981   9.527
  151   2HB   TRP  23           HB3      TRP  23  -2.602  16.528  11.184
  152    HD1  TRP  23           HD1      TRP  23  -0.656  19.050  10.036
  153    HE1  TRP  23           HE1      TRP  23  -1.940  21.209   9.413
  154    HE3  TRP  23           HE3      TRP  23  -5.307  17.109   9.928
  155    HZ2  TRP  23           HZ2      TRP  23  -4.662  21.954   9.020
  156    HZ3  TRP  23           HZ3      TRP  23  -7.267  18.594   9.670
  157    HH2  TRP  23           HH2      TRP  23  -6.970  21.006   9.168
  158    H    LYS  24           H        LYS  24   1.087  14.513   9.793
  159    HA   LYS  24           HA       LYS  24   0.180  12.328  11.481
  160   1HB   LYS  24           HB2      LYS  24   2.375  12.678   9.379
  161   2HB   LYS  24           HB3      LYS  24   2.037  11.178  10.209
  162   1HG   LYS  24           HG2      LYS  24  -0.236  11.093   9.215
  163   2HG   LYS  24           HG3      LYS  24   0.011  12.673   8.526
  164   1HD   LYS  24           HD2      LYS  24   1.070  11.863   6.740
  165   2HD   LYS  24           HD3      LYS  24   2.204  10.936   7.715
  166   1HE   LYS  24           HE2      LYS  24   0.809   9.020   7.688
  167   2HE   LYS  24           HE3      LYS  24  -0.565   9.919   7.007
  168   1HZ   LYS  24           HZ1      LYS  24   1.072   8.580   5.437
  169   2HZ   LYS  24           HZ2      LYS  24   0.428  10.012   4.946
  170   3HZ   LYS  24           HZ3      LYS  24   1.952   9.999   5.513
  171    H    CYS  25           H        CYS  25   1.012  12.167  13.478
  172    HA   CYS  25           HA       CYS  25   2.065  12.838  15.332
  173   1HB   CYS  25           HB2      CYS  25   4.597  12.860  15.362
  174   2HB   CYS  25           HB3      CYS  25   3.696  11.369  15.273
  175    H    ASP  26           H        ASP  26   0.893  14.815  14.540
  176    HA   ASP  26           HA       ASP  26   2.733  17.122  14.760
  177   1HB   ASP  26           HB2      ASP  26   1.136  18.258  13.702
  178   2HB   ASP  26           HB3      ASP  26   0.335  16.757  13.386
  179    H    GLY  27           H        GLY  27   0.596  15.032  16.564
  180   1HA   GLY  27           HA1      GLY  27   0.777  14.867  18.966
  181   2HA   GLY  27           HA2      GLY  27   1.064  16.602  19.075
  182    H    ASP  28           H        ASP  28  -1.495  16.394  16.780
  183    HA   ASP  28           HA       ASP  28  -3.493  16.121  18.945
  184   1HB   ASP  28           HB2      ASP  28  -3.011  18.511  18.282
  185   2HB   ASP  28           HB3      ASP  28  -3.721  18.138  16.711
  186    H    ASN  29           H        ASN  29  -5.469  15.619  18.441
  187    HA   ASN  29           HA       ASN  29  -5.995  13.503  16.525
  188   1HB   ASN  29           HB2      ASN  29  -8.337  14.754  17.871
  189   2HB   ASN  29           HB3      ASN  29  -7.886  13.102  17.688
  190    HD2  ASN  29           HD2      ASN  29  -6.630  16.035  19.696
  191    HD2  ASN  29           HD2      ASN  29  -6.571  14.949  21.085
  192    H    ASP  30           H        ASP  30  -5.133  15.308  14.928
  193    HA   ASP  30           HA       ASP  30  -6.855  17.327  13.912
  194   1HB   ASP  30           HB2      ASP  30  -5.224  17.418  12.229
  195   2HB   ASP  30           HB3      ASP  30  -4.353  16.829  13.640
  196    H    CYS  31           H        CYS  31  -6.681  13.932  13.505
  197    HA   CYS  31           HA       CYS  31  -8.730  13.593  11.531
  198   1HB   CYS  31           HB2      CYS  31  -6.830  12.146  11.744
  199   2HB   CYS  31           HB3      CYS  31  -7.193  11.785  13.427
  200    H    LEU  32           H        LEU  32  -9.085  14.278  14.835
  201    HA   LEU  32           HA       LEU  32 -10.647  14.080  16.385
  202   1HB   LEU  32           HB2      LEU  32 -12.635  14.846  15.783
  203   2HB   LEU  32           HB3      LEU  32 -11.926  14.904  14.183
  204    HG   LEU  32           HG       LEU  32 -12.964  12.457  13.956
  205    HD1  LEU  32           HD1      LEU  32 -15.131  12.273  15.079
  206    HD1  LEU  32           HD1      LEU  32 -13.857  12.349  16.295
  207    HD1  LEU  32           HD1      LEU  32 -14.840  13.789  15.964
  208    HD2  LEU  32           HD2      LEU  32 -13.514  14.356  12.529
  209    HD2  LEU  32           HD2      LEU  32 -14.992  13.510  13.007
  210    HD2  LEU  32           HD2      LEU  32 -14.560  15.044  13.796
  211    H    ASP  33           H        ASP  33 -10.604  11.336  14.249
  212    HA   ASP  33           HA       ASP  33 -11.631   9.338  16.145
  213   1HB   ASP  33           HB2      ASP  33 -11.949   8.593  14.004
  214   2HB   ASP  33           HB3      ASP  33 -10.612   9.513  13.355
  215    H    ASN  34           H        ASN  34  -8.736  10.978  15.495
  216    HA   ASN  34           HA       ASN  34  -6.595  10.920  16.090
  217   1HB   ASN  34           HB2      ASN  34  -7.595  10.891  18.419
  218   2HB   ASN  34           HB3      ASN  34  -7.408   9.140  18.427
  219    HD2  ASN  34           HD2      ASN  34  -6.034  11.666  19.853
  220    HD2  ASN  34           HD2      ASN  34  -4.342  11.104  19.738
  221    H    SER  35           H        SER  35  -5.923   9.986  14.216
  222    HA   SER  35           HA       SER  35  -5.426   7.057  14.304
  223   1HB   SER  35           HB2      SER  35  -6.125   8.949  12.058
  224   2HB   SER  35           HB3      SER  35  -5.106   7.556  11.724
  225    HG   SER  35           HG       SER  35  -7.773   7.420  12.919
  226    H    ASP  36           H        ASP  36  -4.130  10.063  13.054
  227    HA   ASP  36           HA       ASP  36  -1.442   9.668  12.636
  228   1HB   ASP  36           HB2      ASP  36  -1.516  12.127  13.574
  229   2HB   ASP  36           HB3      ASP  36  -2.274  11.749  12.056
  230    H    GLU  37           H        GLU  37  -2.891  10.917  15.570
  231    HA   GLU  37           HA       GLU  37  -0.487  10.412  16.966
  232   1HB   GLU  37           HB2      GLU  37  -2.983  11.523  18.204
  233   2HB   GLU  37           HB3      GLU  37  -1.277  11.768  18.645
  234   1HG   GLU  37           HG2      GLU  37  -2.574  12.616  16.065
  235   2HG   GLU  37           HG3      GLU  37  -2.231  13.694  17.394
  236    H    ALA  38           H        ALA  38  -2.465   7.940  16.199
  237    HA   ALA  38           HA       ALA  38  -1.904   6.629  18.768
  238   1HB   ALA  38           HB1      ALA  38  -4.247   6.521  17.986
  239   2HB   ALA  38           HB2      ALA  38  -3.707   5.990  16.387
  240   3HB   ALA  38           HB3      ALA  38  -3.464   4.930  17.801
  241    HA   PRO  39           HA       PRO  39   1.682   5.396  16.375
  242   1HB   PRO  39           HB2      PRO  39   2.716   3.393  17.933
  243   2HB   PRO  39           HB3      PRO  39   2.655   5.105  18.438
  244   1HG   PRO  39           HG2      PRO  39   0.649   2.916  19.087
  245   2HG   PRO  39           HG3      PRO  39   1.490   4.015  20.233
  246   1HD   PRO  39           HD2      PRO  39  -0.997   4.576  19.335
  247   2HD   PRO  39           HD3      PRO  39   0.214   5.880  19.518
  248    H    ALA  40           H        ALA  40  -0.884   4.185  15.664
  249    HA   ALA  40           HA       ALA  40  -0.093   1.755  14.130
  250   1HB   ALA  40           HB1      ALA  40  -2.664   3.417  14.154
  251   2HB   ALA  40           HB2      ALA  40  -2.368   1.969  13.166
  252   3HB   ALA  40           HB3      ALA  40  -2.441   1.833  14.936
  253    H    LEU  41           H        LEU  41  -0.272   5.254  14.147
  254    HA   LEU  41           HA       LEU  41   0.753   5.367  11.376
  255   1HB   LEU  41           HB2      LEU  41  -1.531   6.373  11.890
  256   2HB   LEU  41           HB3      LEU  41  -0.711   7.616  12.817
  257    HG   LEU  41           HG       LEU  41   0.119   6.958   9.972
  258    HD1  LEU  41           HD1      LEU  41  -1.990   9.018  10.683
  259    HD1  LEU  41           HD1      LEU  41  -1.323   8.694   9.082
  260    HD1  LEU  41           HD1      LEU  41  -2.297   7.460   9.894
  261    HD2  LEU  41           HD2      LEU  41   1.714   8.345  11.051
  262    HD2  LEU  41           HD2      LEU  41   0.846   9.277   9.879
  263    HD2  LEU  41           HD2      LEU  41   0.453   9.476  11.607
  264    H    CYS  42           H        CYS  42   0.880   7.953  14.042
  265    HA   CYS  42           HA       CYS  42   3.776   7.290  14.120
  266   1HB   CYS  42           HB2      CYS  42   3.342   9.008  12.356
  267   2HB   CYS  42           HB3      CYS  42   2.740  10.066  13.618
  268    H    HIS  43           H        HIS  43   1.265   9.376  15.716
  269    HA   HIS  43           HA       HIS  43   1.226  10.353  17.781
  270   1HB   HIS  43           HB2      HIS  43   0.826   8.042  18.445
  271   2HB   HIS  43           HB3      HIS  43   2.541   7.713  18.492
  272    HD1  HIS  43           HD1      HIS  43   3.662   7.903  20.730
  273    HD2  HIS  43           HD2      HIS  43   0.159  10.204  20.421
  274    HE1  HIS  43           HE1      HIS  43   3.216   8.893  23.068
  275    H    GLN  44           H        GLN  44   2.197  12.221  17.725
  276    HA   GLN  44           HA       GLN  44   5.075  12.421  18.196
  277   1HB   GLN  44           HB2      GLN  44   3.562  14.203  17.101
  278   2HB   GLN  44           HB3      GLN  44   3.150  14.686  18.745
  279   1HG   GLN  44           HG2      GLN  44   5.640  14.864  19.232
  280   2HG   GLN  44           HG3      GLN  44   5.952  14.529  17.524
  281    HE2  GLN  44           HE2      GLN  44   4.613  16.141  15.931
  282    HE2  GLN  44           HE2      GLN  44   4.554  17.784  16.609
  283    H    HIS  45           H        HIS  45   5.769  11.465  19.982
  284    HA   HIS  45           HA       HIS  45   4.737  10.950  22.414
  285   1HB   HIS  45           HB2      HIS  45   7.005  10.871  23.282
  286   2HB   HIS  45           HB3      HIS  45   6.971  10.263  21.633
  287    HD1  HIS  45           HD1      HIS  45   8.522  11.558  19.887
  288    HD2  HIS  45           HD2      HIS  45   8.118  13.389  23.660
  289    HE1  HIS  45           HE1      HIS  45  10.190  13.499  19.950
  Start of MODEL   13
    1    H    GLY   1           H        GLY   1  -2.066  -2.138  -0.160
    2   1HA   GLY   1           HA1      GLY   1   0.046  -1.381  -1.540
    3   2HA   GLY   1           HA2      GLY   1  -1.534  -0.757  -2.026
    4    H    SER   2           H        SER   2  -0.601   0.447   0.943
    5    HA   SER   2           HA       SER   2  -0.514   2.680   1.630
    6   1HB   SER   2           HB2      SER   2   2.167   2.160   0.313
    7   2HB   SER   2           HB3      SER   2   1.848   3.446   1.494
    8    HG   SER   2           HG       SER   2   1.408   1.910   3.038
    9    HA   PRO   3           HA       PRO   3  -1.443   4.790  -2.440
   10   1HB   PRO   3           HB2      PRO   3  -3.845   5.754  -0.921
   11   2HB   PRO   3           HB3      PRO   3  -3.743   5.130  -2.587
   12   1HG   PRO   3           HG2      PRO   3  -4.781   3.618  -0.572
   13   2HG   PRO   3           HG3      PRO   3  -3.788   2.898  -1.880
   14   1HD   PRO   3           HD2      PRO   3  -2.943   3.623   0.928
   15   2HD   PRO   3           HD3      PRO   3  -2.580   2.170  -0.038
   16    HA   PRO   4           HA       PRO   4   0.089   8.735  -1.052
   17   1HB   PRO   4           HB2      PRO   4  -0.860  10.512  -2.922
   18   2HB   PRO   4           HB3      PRO   4   0.345   9.241  -3.311
   19   1HG   PRO   4           HG2      PRO   4  -2.662   9.179  -3.716
   20   2HG   PRO   4           HG3      PRO   4  -1.376   8.774  -4.901
   21   1HD   PRO   4           HD2      PRO   4  -2.644   6.859  -3.470
   22   2HD   PRO   4           HD3      PRO   4  -0.894   6.731  -3.816
   23    H    GLN   5           H        GLN   5  -3.366   8.529  -1.309
   24    HA   GLN   5           HA       GLN   5  -5.019   9.226   0.036
   25   1HB   GLN   5           HB2      GLN   5  -3.017  10.712   1.757
   26   2HB   GLN   5           HB3      GLN   5  -4.667  10.250   2.173
   27   1HG   GLN   5           HG2      GLN   5  -2.196   8.519   1.848
   28   2HG   GLN   5           HG3      GLN   5  -3.180   8.738   3.277
   29    HE2  GLN   5           HE2      GLN   5  -2.338   6.287   1.499
   30    HE2  GLN   5           HE2      GLN   5  -3.924   5.469   1.438
   31    H    CYS   6           H        CYS   6  -3.673  12.333   0.863
   32    HA   CYS   6           HA       CYS   6  -5.856  13.623  -0.600
   33   1HB   CYS   6           HB2      CYS   6  -4.585  14.132   1.746
   34   2HB   CYS   6           HB3      CYS   6  -3.677  15.211   0.722
   35    H    GLN   7           H        GLN   7  -2.358  13.581  -0.855
   36    HA   GLN   7           HA       GLN   7  -2.193  14.404  -3.617
   37   1HB   GLN   7           HB2      GLN   7  -0.501  15.977  -1.665
   38   2HB   GLN   7           HB3      GLN   7  -0.934  16.352  -3.330
   39   1HG   GLN   7           HG2      GLN   7  -3.270  16.872  -2.572
   40   2HG   GLN   7           HG3      GLN   7  -2.729  16.654  -0.911
   41    HE2  GLN   7           HE2      GLN   7  -1.023  18.160  -0.010
   42    HE2  GLN   7           HE2      GLN   7  -0.888  19.721  -0.865
   43    HA   PRO   8           HA       PRO   8   1.087  11.477  -3.138
   44   1HB   PRO   8           HB2      PRO   8   3.409  12.295  -4.313
   45   2HB   PRO   8           HB3      PRO   8   1.911  11.891  -5.197
   46   1HG   PRO   8           HG2      PRO   8   2.877  14.634  -4.348
   47   2HG   PRO   8           HG3      PRO   8   2.288  14.117  -5.961
   48   1HD   PRO   8           HD2      PRO   8   0.692  15.380  -4.187
   49   2HD   PRO   8           HD3      PRO   8   0.038  14.073  -5.223
   50    H    GLY   9           H        GLY   9   0.942  11.621  -0.859
   51   1HA   GLY   9           HA1      GLY   9   2.982  10.807   0.541
   52   2HA   GLY   9           HA2      GLY   9   3.427  12.514   0.562
   53    H    GLU  10           H        GLU  10   0.048  12.200   0.777
   54    HA   GLU  10           HA       GLU  10   0.386  13.693   3.210
   55   1HB   GLU  10           HB2      GLU  10  -1.938  13.093   1.355
   56   2HB   GLU  10           HB3      GLU  10  -2.056  14.294   2.626
   57   1HG   GLU  10           HG2      GLU  10   0.106  14.400   0.440
   58   2HG   GLU  10           HG3      GLU  10  -1.482  15.071   0.304
   59    H    PHE  11           H        PHE  11  -2.241  13.501   4.537
   60    HA   PHE  11           HA       PHE  11  -2.093  10.870   5.695
   61   1HB   PHE  11           HB2      PHE  11  -1.258  12.316   7.168
   62   2HB   PHE  11           HB3      PHE  11  -2.367  13.608   6.875
   63    HD1  PHE  11           HD1      PHE  11  -2.920   9.920   7.671
   64    HD2  PHE  11           HD2      PHE  11  -3.242  14.000   9.065
   65    HE1  PHE  11           HE1      PHE  11  -4.273   9.166   9.565
   66    HE2  PHE  11           HE2      PHE  11  -4.589  13.219  10.968
   67    HZ   PHE  11           HZ       PHE  11  -5.140  10.841  11.219
   68    H    ALA  12           H        ALA  12  -3.641   9.589   5.588
   69    HA   ALA  12           HA       ALA  12  -6.444  10.447   5.154
   70   1HB   ALA  12           HB1      ALA  12  -6.858   8.021   4.756
   71   2HB   ALA  12           HB2      ALA  12  -5.862   8.859   3.569
   72   3HB   ALA  12           HB3      ALA  12  -5.098   7.775   4.773
   73    H    CYS  13           H        CYS  13  -7.477  10.824   6.915
   74    HA   CYS  13           HA       CYS  13  -7.050   9.527   9.513
   75   1HB   CYS  13           HB2      CYS  13  -7.694  11.909   9.286
   76   2HB   CYS  13           HB3      CYS  13  -9.134  11.403   8.404
   77    H    ALA  14           H        ALA  14  -7.980   7.556   9.969
   78    HA   ALA  14           HA       ALA  14  -9.924   6.264   8.371
   79   1HB   ALA  14           HB1      ALA  14 -10.062   4.678  10.210
   80   2HB   ALA  14           HB2      ALA  14  -8.372   5.147   9.938
   81   3HB   ALA  14           HB3      ALA  14  -9.277   5.825  11.307
   82    H    ASN  15           H        ASN  15 -10.556   8.916  10.559
   83    HA   ASN  15           HA       ASN  15 -13.376   8.249  10.948
   84   1HB   ASN  15           HB2      ASN  15 -12.281   9.876  12.437
   85   2HB   ASN  15           HB3      ASN  15 -11.994  10.975  11.094
   86    HD2  ASN  15           HD2      ASN  15 -14.681   9.387  12.906
   87    HD2  ASN  15           HD2      ASN  15 -15.773  10.722  12.512
   88    H    SER  16           H        SER  16 -11.506   9.558   8.365
   89    HA   SER  16           HA       SER  16 -12.157   8.912   6.178
   90   1HB   SER  16           HB2      SER  16 -14.781  10.389   6.540
   91   2HB   SER  16           HB3      SER  16 -14.208   9.554   5.083
   92    HG   SER  16           HG       SER  16 -14.820   8.494   7.610
   93    H    ARG  17           H        ARG  17 -10.378  10.576   6.865
   94    HA   ARG  17           HA       ARG  17 -10.976  13.173   5.413
   95   1HB   ARG  17           HB2      ARG  17  -9.237  13.417   7.815
   96   2HB   ARG  17           HB3      ARG  17 -10.220  14.611   7.037
   97   1HG   ARG  17           HG2      ARG  17 -11.241  12.357   8.833
   98   2HG   ARG  17           HG3      ARG  17 -10.941  14.010   9.320
   99   1HD   ARG  17           HD2      ARG  17 -13.161  13.002   7.524
  100   2HD   ARG  17           HD3      ARG  17 -13.278  13.725   9.102
  101    HE   ARG  17           HE       ARG  17 -12.710  15.866   8.214
  102    HH1  ARG  17           HH1      ARG  17 -13.137  17.400   6.672
  103    HH1  ARG  17           HH1      ARG  17 -13.525  16.924   5.048
  104    HH2  ARG  17           HH2      ARG  17 -13.660  14.793   4.465
  105    HH2  ARG  17           HH2      ARG  17 -13.269  13.520   5.586
  106    H    CYS  18           H        CYS  18  -9.681  14.107   4.007
  107    HA   CYS  18           HA       CYS  18  -6.868  13.160   4.057
  108   1HB   CYS  18           HB2      CYS  18  -6.502  13.206   2.008
  109   2HB   CYS  18           HB3      CYS  18  -8.205  12.810   1.911
  110    H    ILE  19           H        ILE  19  -5.506  14.258   4.966
  111    HA   ILE  19           HA       ILE  19  -5.450  17.224   4.778
  112    HB   ILE  19           HB       ILE  19  -4.579  17.189   7.204
  113    HG2  ILE  19           HG2      ILE  19  -6.595  18.362   6.592
  114    HG2  ILE  19           HG2      ILE  19  -7.556  16.873   6.692
  115    HG2  ILE  19           HG2      ILE  19  -6.818  17.562   8.158
  116    HG1  ILE  19           HG1      ILE  19  -4.636  14.597   7.270
  117    HG1  ILE  19           HG1      ILE  19  -5.017  15.527   8.699
  118    HD1  ILE  19           HD1      ILE  19  -7.377  15.092   8.494
  119    HD1  ILE  19           HD1      ILE  19  -7.128  14.250   6.948
  120    HD1  ILE  19           HD1      ILE  19  -6.460  13.581   8.440
  121    H    GLN  20           H        GLN  20  -3.262  17.913   5.446
  122    HA   GLN  20           HA       GLN  20  -1.394  16.316   3.938
  123   1HB   GLN  20           HB2      GLN  20  -0.075  18.462   3.950
  124   2HB   GLN  20           HB3      GLN  20  -1.714  18.641   3.312
  125   1HG   GLN  20           HG2      GLN  20  -2.495  19.662   5.386
  126   2HG   GLN  20           HG3      GLN  20  -0.974  19.291   6.188
  127    HE2  GLN  20           HE2      GLN  20  -0.554  20.527   2.932
  128    HE2  GLN  20           HE2      GLN  20  -0.154  22.153   3.496
  129    H    GLU  21           H        GLU  21   0.697  15.982   4.431
  130    HA   GLU  21           HA       GLU  21   1.063  14.549   6.762
  131   1HB   GLU  21           HB2      GLU  21   2.171  13.900   4.834
  132   2HB   GLU  21           HB3      GLU  21   2.865  15.488   4.528
  133   1HG   GLU  21           HG2      GLU  21   4.573  15.232   6.057
  134   2HG   GLU  21           HG3      GLU  21   3.802  13.962   6.962
  135    H    ARG  22           H        ARG  22   1.655  17.909   6.452
  136    HA   ARG  22           HA       ARG  22   3.349  18.482   8.702
  137   1HB   ARG  22           HB2      ARG  22   2.726  20.319   7.450
  138   2HB   ARG  22           HB3      ARG  22   1.038  19.842   7.359
  139   1HG   ARG  22           HG2      ARG  22   0.723  20.408   9.753
  140   2HG   ARG  22           HG3      ARG  22   2.415  20.948   9.849
  141   1HD   ARG  22           HD2      ARG  22   1.999  22.862   8.614
  142   2HD   ARG  22           HD3      ARG  22   0.754  22.083   7.645
  143    HE   ARG  22           HE       ARG  22   0.313  22.814  10.508
  144    HH1  ARG  22           HH1      ARG  22  -1.661  23.586  11.094
  145    HH1  ARG  22           HH1      ARG  22  -2.874  23.908   9.902
  146    HH2  ARG  22           HH2      ARG  22  -2.459  23.641   7.743
  147    HH2  ARG  22           HH2      ARG  22  -1.009  22.856   7.180
  148    H    TRP  23           H        TRP  23   0.105  17.019   8.698
  149    HA   TRP  23           HA       TRP  23  -0.186  17.373  11.588
  150   1HB   TRP  23           HB2      TRP  23  -2.089  16.229   9.525
  151   2HB   TRP  23           HB3      TRP  23  -2.457  16.814  11.130
  152    HD1  TRP  23           HD1      TRP  23  -0.616  18.984   8.504
  153    HE1  TRP  23           HE1      TRP  23  -2.028  20.960   7.838
  154    HE3  TRP  23           HE3      TRP  23  -4.915  17.729  10.907
  155    HZ2  TRP  23           HZ2      TRP  23  -4.715  21.881   8.215
  156    HZ3  TRP  23           HZ3      TRP  23  -6.921  19.153  10.715
  157    HH2  TRP  23           HH2      TRP  23  -6.841  21.246   9.366
  158    H    LYS  24           H        LYS  24   1.405  15.004   9.645
  159    HA   LYS  24           HA       LYS  24   0.528  12.693  11.148
  160   1HB   LYS  24           HB2      LYS  24   2.724  13.197   9.082
  161   2HB   LYS  24           HB3      LYS  24   2.435  11.636   9.838
  162   1HG   LYS  24           HG2      LYS  24   0.216  11.451   8.822
  163   2HG   LYS  24           HG3      LYS  24   0.282  13.143   8.362
  164   1HD   LYS  24           HD2      LYS  24   0.746  12.330   6.329
  165   2HD   LYS  24           HD3      LYS  24   2.365  12.458   6.959
  166   1HE   LYS  24           HE2      LYS  24   2.458  10.069   7.375
  167   2HE   LYS  24           HE3      LYS  24   0.780   9.899   6.794
  168   1HZ   LYS  24           HZ1      LYS  24   3.008  11.052   5.189
  169   2HZ   LYS  24           HZ2      LYS  24   2.468   9.504   5.017
  170   3HZ   LYS  24           HZ3      LYS  24   1.482  10.777   4.644
  171    H    CYS  25           H        CYS  25   1.217  12.463  13.113
  172    HA   CYS  25           HA       CYS  25   2.346  12.787  15.020
  173   1HB   CYS  25           HB2      CYS  25   4.847  12.444  14.943
  174   2HB   CYS  25           HB3      CYS  25   3.738  11.134  14.605
  175    H    ASP  26           H        ASP  26   1.468  15.184  14.229
  176    HA   ASP  26           HA       ASP  26   3.594  16.959  15.294
  177   1HB   ASP  26           HB2      ASP  26   1.558  18.534  15.630
  178   2HB   ASP  26           HB3      ASP  26   2.154  18.292  13.979
  179    H    GLY  27           H        GLY  27   1.061  14.728  16.265
  180   1HA   GLY  27           HA1      GLY  27   0.755  13.973  18.523
  181   2HA   GLY  27           HA2      GLY  27   1.380  15.515  19.122
  182    H    ASP  28           H        ASP  28  -0.751  16.078  16.439
  183    HA   ASP  28           HA       ASP  28  -2.866  16.889  18.385
  184   1HB   ASP  28           HB2      ASP  28  -1.944  18.602  16.780
  185   2HB   ASP  28           HB3      ASP  28  -2.682  17.687  15.466
  186    H    ASN  29           H        ASN  29  -4.661  15.885  18.561
  187    HA   ASN  29           HA       ASN  29  -5.234  13.329  17.665
  188   1HB   ASN  29           HB2      ASN  29  -7.364  15.485  17.968
  189   2HB   ASN  29           HB3      ASN  29  -7.525  13.777  18.209
  190    HD2  ASN  29           HD2      ASN  29  -5.643  12.952  20.014
  191    HD2  ASN  29           HD2      ASN  29  -5.769  13.978  21.463
  192    H    ASP  30           H        ASP  30  -5.789  16.332  16.092
  193    HA   ASP  30           HA       ASP  30  -6.929  17.202  14.437
  194   1HB   ASP  30           HB2      ASP  30  -5.231  17.539  13.092
  195   2HB   ASP  30           HB3      ASP  30  -4.369  16.542  14.224
  196    H    CYS  31           H        CYS  31  -6.491  13.931  13.781
  197    HA   CYS  31           HA       CYS  31  -8.660  13.591  11.956
  198   1HB   CYS  31           HB2      CYS  31  -6.661  12.286  11.750
  199   2HB   CYS  31           HB3      CYS  31  -6.697  11.772  13.433
  200    H    LEU  32           H        LEU  32  -8.420  13.626  15.331
  201    HA   LEU  32           HA       LEU  32  -9.914  13.397  17.039
  202   1HB   LEU  32           HB2      LEU  32 -11.994  14.072  16.685
  203   2HB   LEU  32           HB3      LEU  32 -11.547  14.189  15.000
  204    HG   LEU  32           HG       LEU  32 -12.438  11.698  14.828
  205    HD1  LEU  32           HD1      LEU  32 -12.838  11.385  17.286
  206    HD1  LEU  32           HD1      LEU  32 -13.977  12.742  17.250
  207    HD1  LEU  32           HD1      LEU  32 -14.320  11.257  16.337
  208    HD2  LEU  32           HD2      LEU  32 -13.409  13.608  13.672
  209    HD2  LEU  32           HD2      LEU  32 -14.680  12.582  14.344
  210    HD2  LEU  32           HD2      LEU  32 -14.259  14.110  15.154
  211    H    ASP  33           H        ASP  33 -10.021  10.939  14.572
  212    HA   ASP  33           HA       ASP  33 -10.558   8.656  16.358
  213   1HB   ASP  33           HB2      ASP  33 -11.364   8.218  14.262
  214   2HB   ASP  33           HB3      ASP  33 -10.185   9.209  13.446
  215    H    ASN  34           H        ASN  34  -7.972  10.679  15.566
  216    HA   ASN  34           HA       ASN  34  -5.767  10.737  15.822
  217   1HB   ASN  34           HB2      ASN  34  -6.310   8.712  18.055
  218   2HB   ASN  34           HB3      ASN  34  -4.782   9.533  17.808
  219    HD2  ASN  34           HD2      ASN  34  -8.332  10.526  18.254
  220    HD2  ASN  34           HD2      ASN  34  -7.823  11.749  19.400
  221    H    SER  35           H        SER  35  -5.753   9.704  13.575
  222    HA   SER  35           HA       SER  35  -5.227   6.818  13.560
  223   1HB   SER  35           HB2      SER  35  -5.773   8.891  11.428
  224   2HB   SER  35           HB3      SER  35  -4.889   7.431  11.003
  225    HG   SER  35           HG       SER  35  -7.473   7.291  12.337
  226    H    ASP  36           H        ASP  36  -3.722   9.899  12.542
  227    HA   ASP  36           HA       ASP  36  -1.269   8.843  11.750
  228   1HB   ASP  36           HB2      ASP  36  -0.531  11.109  11.955
  229   2HB   ASP  36           HB3      ASP  36  -1.929  10.892  10.926
  230    H    GLU  37           H        GLU  37  -2.339  10.528  14.652
  231    HA   GLU  37           HA       GLU  37  -0.008  10.134  16.217
  232   1HB   GLU  37           HB2      GLU  37  -2.766  10.822  17.237
  233   2HB   GLU  37           HB3      GLU  37  -1.197  11.181  17.972
  234   1HG   GLU  37           HG2      GLU  37  -2.342  12.305  15.445
  235   2HG   GLU  37           HG3      GLU  37  -2.100  13.159  16.998
  236    H    ALA  38           H        ALA  38  -1.936   7.490  15.278
  237    HA   ALA  38           HA       ALA  38  -0.907   6.198  17.718
  238   1HB   ALA  38           HB1      ALA  38  -3.047   5.327  15.734
  239   2HB   ALA  38           HB2      ALA  38  -2.431   4.354  17.090
  240   3HB   ALA  38           HB3      ALA  38  -3.321   5.861  17.403
  241    HA   PRO  39           HA       PRO  39   2.358   5.069  14.962
  242   1HB   PRO  39           HB2      PRO  39   3.577   3.040  16.322
  243   2HB   PRO  39           HB3      PRO  39   3.506   4.717  16.929
  244   1HG   PRO  39           HG2      PRO  39   1.627   2.429  17.614
  245   2HG   PRO  39           HG3      PRO  39   2.534   3.489  18.748
  246   1HD   PRO  39           HD2      PRO  39  -0.036   4.021  18.091
  247   2HD   PRO  39           HD3      PRO  39   1.154   5.345  18.262
  248    H    ALA  40           H        ALA  40  -0.270   3.784  14.500
  249    HA   ALA  40           HA       ALA  40   0.409   1.485  12.740
  250   1HB   ALA  40           HB1      ALA  40  -1.897   1.836  11.899
  251   2HB   ALA  40           HB2      ALA  40  -1.893   1.600  13.659
  252   3HB   ALA  40           HB3      ALA  40  -2.091   3.233  12.980
  253    H    LEU  41           H        LEU  41   0.310   4.983  12.946
  254    HA   LEU  41           HA       LEU  41   1.344   5.239  10.166
  255   1HB   LEU  41           HB2      LEU  41  -0.878   6.250  10.624
  256   2HB   LEU  41           HB3      LEU  41  -0.159   7.220  11.888
  257    HG   LEU  41           HG       LEU  41   1.213   7.392   9.234
  258    HD1  LEU  41           HD1      LEU  41  -1.592   8.523   9.521
  259    HD1  LEU  41           HD1      LEU  41  -0.471   8.880   8.197
  260    HD1  LEU  41           HD1      LEU  41  -1.082   7.230   8.417
  261    HD2  LEU  41           HD2      LEU  41   1.205   9.047  11.472
  262    HD2  LEU  41           HD2      LEU  41   1.924   9.354   9.882
  263    HD2  LEU  41           HD2      LEU  41   0.297   9.920  10.271
  264    H    CYS  42           H        CYS  42   1.438   7.571  13.067
  265    HA   CYS  42           HA       CYS  42   4.363   7.028  13.089
  266   1HB   CYS  42           HB2      CYS  42   3.805   8.896  11.543
  267   2HB   CYS  42           HB3      CYS  42   3.062   9.748  12.888
  268    H    HIS  43           H        HIS  43   1.980   9.137  14.781
  269    HA   HIS  43           HA       HIS  43   1.902   9.971  16.867
  270   1HB   HIS  43           HB2      HIS  43   1.422   7.574  17.427
  271   2HB   HIS  43           HB3      HIS  43   3.133   7.295  17.694
  272    HD1  HIS  43           HD1      HIS  43   0.160   8.854  19.383
  273    HD2  HIS  43           HD2      HIS  43   4.293   8.294  19.927
  274    HE1  HIS  43           HE1      HIS  43   0.682   9.454  21.858
  275    H    GLN  44           H        GLN  44   2.900  11.393  18.048
  276    HA   GLN  44           HA       GLN  44   5.745  11.069  18.771
  277   1HB   GLN  44           HB2      GLN  44   6.069  12.117  16.717
  278   2HB   GLN  44           HB3      GLN  44   4.734  13.240  16.955
  279   1HG   GLN  44           HG2      GLN  44   7.165  13.392  18.760
  280   2HG   GLN  44           HG3      GLN  44   7.250  14.024  17.114
  281    HE2  GLN  44           HE2      GLN  44   5.104  15.399  16.491
  282    HE2  GLN  44           HE2      GLN  44   4.603  16.506  17.780
  283    H    HIS  45           H        HIS  45   3.246  13.669  18.857
  284    HA   HIS  45           HA       HIS  45   2.828  15.204  20.522
  285   1HB   HIS  45           HB2      HIS  45   1.298  13.151  20.734
  286   2HB   HIS  45           HB3      HIS  45   2.286  12.671  22.107
  287    HD1  HIS  45           HD1      HIS  45  -0.432  15.198  21.086
  288    HD2  HIS  45           HD2      HIS  45   2.037  14.193  24.373
  289    HE1  HIS  45           HE1      HIS  45  -1.379  16.391  23.118
  Start of MODEL   14
    1    H    GLY   1           H        GLY   1   1.610  -0.255  -5.679
    2   1HA   GLY   1           HA1      GLY   1  -0.330  -0.030  -4.270
    3   2HA   GLY   1           HA2      GLY   1   0.725  -1.148  -3.399
    4    H    SER   2           H        SER   2   2.282   1.739  -3.278
    5    HA   SER   2           HA       SER   2   1.800   2.300  -0.509
    6   1HB   SER   2           HB2      SER   2   3.196   4.296  -0.937
    7   2HB   SER   2           HB3      SER   2   3.923   2.823  -1.614
    8    HG   SER   2           HG       SER   2   2.195   4.466  -3.118
    9    HA   PRO   3           HA       PRO   3  -2.028   4.552  -1.481
   10   1HB   PRO   3           HB2      PRO   3  -2.861   5.200   1.056
   11   2HB   PRO   3           HB3      PRO   3  -3.031   3.584   0.311
   12   1HG   PRO   3           HG2      PRO   3  -0.860   4.542   2.194
   13   2HG   PRO   3           HG3      PRO   3  -1.800   3.018   2.264
   14   1HD   PRO   3           HD2      PRO   3   0.693   3.136   1.177
   15   2HD   PRO   3           HD3      PRO   3  -0.571   2.071   0.491
   16    HA   PRO   4           HA       PRO   4   0.333   8.426  -1.522
   17   1HB   PRO   4           HB2      PRO   4  -1.119   9.818  -3.376
   18   2HB   PRO   4           HB3      PRO   4  -0.074   8.432  -3.793
   19   1HG   PRO   4           HG2      PRO   4  -3.074   8.446  -3.338
   20   2HG   PRO   4           HG3      PRO   4  -2.161   7.724  -4.703
   21   1HD   PRO   4           HD2      PRO   4  -2.970   6.242  -2.569
   22   2HD   PRO   4           HD3      PRO   4  -1.407   5.934  -3.379
   23    H    GLN   5           H        GLN   5  -3.179   8.608  -1.187
   24    HA   GLN   5           HA       GLN   5  -4.580   9.653   0.273
   25   1HB   GLN   5           HB2      GLN   5  -2.066  10.243   1.872
   26   2HB   GLN   5           HB3      GLN   5  -3.712  10.351   2.475
   27   1HG   GLN   5           HG2      GLN   5  -3.992   7.967   2.414
   28   2HG   GLN   5           HG3      GLN   5  -2.637   7.736   1.355
   29    HE2  GLN   5           HE2      GLN   5  -0.713   7.136   2.199
   30    HE2  GLN   5           HE2      GLN   5  -0.387   7.217   3.943
   31    H    CYS   6           H        CYS   6  -5.607  11.520  -0.369
   32    HA   CYS   6           HA       CYS   6  -6.128  13.621  -0.861
   33   1HB   CYS   6           HB2      CYS   6  -4.601  13.852   1.402
   34   2HB   CYS   6           HB3      CYS   6  -3.721  14.888   0.335
   35    H    GLN   7           H        GLN   7  -2.636  13.411  -1.214
   36    HA   GLN   7           HA       GLN   7  -2.584  14.373  -3.989
   37   1HB   GLN   7           HB2      GLN   7  -0.727  15.554  -1.881
   38   2HB   GLN   7           HB3      GLN   7  -1.055  16.128  -3.522
   39   1HG   GLN   7           HG2      GLN   7  -3.400  16.698  -2.790
   40   2HG   GLN   7           HG3      GLN   7  -2.908  16.387  -1.132
   41    HE2  GLN   7           HE2      GLN   7  -1.170  18.039  -0.091
   42    HE2  GLN   7           HE2      GLN   7  -1.026  19.488  -1.079
   43    HA   PRO   8           HA       PRO   8   0.703  11.209  -3.674
   44   1HB   PRO   8           HB2      PRO   8   3.011  12.005  -4.837
   45   2HB   PRO   8           HB3      PRO   8   1.505  11.748  -5.762
   46   1HG   PRO   8           HG2      PRO   8   2.632  14.370  -4.749
   47   2HG   PRO   8           HG3      PRO   8   1.997  13.991  -6.380
   48   1HD   PRO   8           HD2      PRO   8   0.545  15.215  -4.410
   49   2HD   PRO   8           HD3      PRO   8  -0.225  14.179  -5.652
   50    H    GLY   9           H        GLY   9   0.479  11.500  -1.264
   51   1HA   GLY   9           HA1      GLY   9   2.222  10.911   0.396
   52   2HA   GLY   9           HA2      GLY   9   3.089  12.372  -0.089
   53    H    GLU  10           H        GLU  10  -0.289  11.795   1.093
   54    HA   GLU  10           HA       GLU  10   0.346  13.827   3.223
   55   1HB   GLU  10           HB2      GLU  10  -2.223  13.725   1.659
   56   2HB   GLU  10           HB3      GLU  10  -1.970  14.779   2.937
   57   1HG   GLU  10           HG2      GLU  10  -0.030  14.822   0.556
   58   2HG   GLU  10           HG3      GLU  10  -1.581  15.558   0.478
   59    H    PHE  11           H        PHE  11  -2.326  13.656   4.594
   60    HA   PHE  11           HA       PHE  11  -2.138  10.965   5.631
   61   1HB   PHE  11           HB2      PHE  11  -1.338  12.512   7.166
   62   2HB   PHE  11           HB3      PHE  11  -2.634  13.631   6.913
   63    HD1  PHE  11           HD1      PHE  11  -3.023   9.900   7.511
   64    HD2  PHE  11           HD2      PHE  11  -3.378  13.893   9.146
   65    HE1  PHE  11           HE1      PHE  11  -4.401   9.034   9.353
   66    HE2  PHE  11           HE2      PHE  11  -4.754  13.000  10.975
   67    HZ   PHE  11           HZ       PHE  11  -5.291  10.595  11.085
   68    H    ALA  12           H        ALA  12  -3.657   9.648   5.292
   69    HA   ALA  12           HA       ALA  12  -6.476  10.517   4.977
   70   1HB   ALA  12           HB1      ALA  12  -5.755   9.021   3.271
   71   2HB   ALA  12           HB2      ALA  12  -5.161   7.845   4.484
   72   3HB   ALA  12           HB3      ALA  12  -6.897   8.183   4.329
   73    H    CYS  13           H        CYS  13  -7.540  10.760   6.738
   74    HA   CYS  13           HA       CYS  13  -7.151   9.352   9.276
   75   1HB   CYS  13           HB2      CYS  13  -7.855  11.693   9.194
   76   2HB   CYS  13           HB3      CYS  13  -9.223  11.232   8.165
   77    H    ALA  14           H        ALA  14  -8.026   7.392   9.630
   78    HA   ALA  14           HA       ALA  14  -9.819   5.938   8.075
   79   1HB   ALA  14           HB1      ALA  14  -9.349   5.828  11.082
   80   2HB   ALA  14           HB2      ALA  14 -10.029   4.533  10.077
   81   3HB   ALA  14           HB3      ALA  14  -8.345   5.043   9.843
   82    H    ASN  15           H        ASN  15 -10.732   8.636  10.173
   83    HA   ASN  15           HA       ASN  15 -13.542   7.823  10.358
   84   1HB   ASN  15           HB2      ASN  15 -12.562   9.378  11.991
   85   2HB   ASN  15           HB3      ASN  15 -12.298  10.593  10.739
   86    HD2  ASN  15           HD2      ASN  15 -13.833  12.186  10.872
   87    HD2  ASN  15           HD2      ASN  15 -15.524  11.814  11.263
   88    H    SER  16           H        SER  16 -11.570   9.295   7.960
   89    HA   SER  16           HA       SER  16 -12.091   8.807   5.710
   90   1HB   SER  16           HB2      SER  16 -14.781  10.173   6.012
   91   2HB   SER  16           HB3      SER  16 -14.106   9.424   4.554
   92    HG   SER  16           HG       SER  16 -14.830   8.235   6.992
   93    H    ARG  17           H        ARG  17 -10.424  10.465   6.607
   94    HA   ARG  17           HA       ARG  17 -11.040  13.137   5.298
   95   1HB   ARG  17           HB2      ARG  17  -9.397  13.264   7.786
   96   2HB   ARG  17           HB3      ARG  17 -10.311  14.503   7.005
   97   1HG   ARG  17           HG2      ARG  17 -11.480  12.193   8.621
   98   2HG   ARG  17           HG3      ARG  17 -11.207  13.826   9.195
   99   1HD   ARG  17           HD2      ARG  17 -13.286  12.892   7.204
  100   2HD   ARG  17           HD3      ARG  17 -13.520  13.602   8.776
  101    HE   ARG  17           HE       ARG  17 -12.809  15.743   7.951
  102    HH1  ARG  17           HH1      ARG  17 -13.150  17.299   6.412
  103    HH1  ARG  17           HH1      ARG  17 -13.486  16.847   4.771
  104    HH2  ARG  17           HH2      ARG  17 -13.653  14.722   4.165
  105    HH2  ARG  17           HH2      ARG  17 -13.319  13.431   5.282
  106    H    CYS  18           H        CYS  18  -9.712  14.210   4.011
  107    HA   CYS  18           HA       CYS  18  -6.901  13.290   4.122
  108   1HB   CYS  18           HB2      CYS  18  -6.410  13.343   2.140
  109   2HB   CYS  18           HB3      CYS  18  -8.077  12.810   1.970
  110    H    ILE  19           H        ILE  19  -5.565  14.360   5.012
  111    HA   ILE  19           HA       ILE  19  -5.536  17.344   4.961
  112    HB   ILE  19           HB       ILE  19  -4.738  17.174   7.405
  113    HG2  ILE  19           HG2      ILE  19  -6.763  18.341   6.837
  114    HG2  ILE  19           HG2      ILE  19  -7.683  16.828   6.711
  115    HG2  ILE  19           HG2      ILE  19  -7.073  17.367   8.286
  116    HG1  ILE  19           HG1      ILE  19  -4.768  14.557   7.272
  117    HG1  ILE  19           HG1      ILE  19  -5.126  15.396   8.752
  118    HD1  ILE  19           HD1      ILE  19  -7.492  14.962   8.559
  119    HD1  ILE  19           HD1      ILE  19  -7.274  14.256   6.942
  120    HD1  ILE  19           HD1      ILE  19  -6.585  13.457   8.362
  121    H    GLN  20           H        GLN  20  -3.350  18.026   5.730
  122    HA   GLN  20           HA       GLN  20  -1.450  16.536   4.179
  123   1HB   GLN  20           HB2      GLN  20  -0.110  18.633   4.336
  124   2HB   GLN  20           HB3      GLN  20  -1.756  18.906   3.755
  125   1HG   GLN  20           HG2      GLN  20  -2.438  19.707   6.004
  126   2HG   GLN  20           HG3      GLN  20  -0.825  19.362   6.621
  127    HE2  GLN  20           HE2      GLN  20  -0.726  20.776   3.428
  128    HE2  GLN  20           HE2      GLN  20  -0.370  22.395   4.032
  129    H    GLU  21           H        GLU  21   0.540  15.951   4.694
  130    HA   GLU  21           HA       GLU  21   0.801  14.366   7.003
  131   1HB   GLU  21           HB2      GLU  21   1.766  13.823   4.898
  132   2HB   GLU  21           HB3      GLU  21   2.792  15.256   4.882
  133   1HG   GLU  21           HG2      GLU  21   4.312  14.367   6.379
  134   2HG   GLU  21           HG3      GLU  21   3.158  13.304   7.140
  135    H    ARG  22           H        ARG  22   1.577  17.758   6.911
  136    HA   ARG  22           HA       ARG  22   3.440  17.898   9.073
  137   1HB   ARG  22           HB2      ARG  22   2.984  19.852   7.868
  138   2HB   ARG  22           HB3      ARG  22   1.239  19.606   7.879
  139   1HG   ARG  22           HG2      ARG  22   1.099  20.141  10.265
  140   2HG   ARG  22           HG3      ARG  22   2.881  20.265  10.347
  141   1HD   ARG  22           HD2      ARG  22   2.187  22.459  10.154
  142   2HD   ARG  22           HD3      ARG  22   2.749  22.065   8.546
  143    HE   ARG  22           HE       ARG  22   0.511  22.164   7.722
  144    HH1  ARG  22           HH1      ARG  22  -1.354  23.064   7.659
  145    HH1  ARG  22           HH1      ARG  22  -2.190  23.645   9.110
  146    HH2  ARG  22           HH2      ARG  22  -1.220  23.263  11.151
  147    HH2  ARG  22           HH2      ARG  22   0.364  22.549  11.211
  148    H    TRP  23           H        TRP  23   0.019  16.936   8.984
  149    HA   TRP  23           HA       TRP  23  -0.322  17.311  11.849
  150   1HB   TRP  23           HB2      TRP  23  -2.180  16.229   9.732
  151   2HB   TRP  23           HB3      TRP  23  -2.593  16.807  11.343
  152    HD1  TRP  23           HD1      TRP  23  -0.492  19.135   9.180
  153    HE1  TRP  23           HE1      TRP  23  -1.883  21.090   8.367
  154    HE3  TRP  23           HE3      TRP  23  -5.101  17.508  10.597
  155    HZ2  TRP  23           HZ2      TRP  23  -4.613  21.931   8.407
  156    HZ3  TRP  23           HZ3      TRP  23  -7.092  18.936  10.261
  157    HH2  TRP  23           HH2      TRP  23  -6.869  21.153   9.151
  158    H    LYS  24           H        LYS  24   1.210  14.819  10.004
  159    HA   LYS  24           HA       LYS  24   0.248  12.605  11.620
  160   1HB   LYS  24           HB2      LYS  24   2.474  12.977   9.546
  161   2HB   LYS  24           HB3      LYS  24   2.103  11.452  10.309
  162   1HG   LYS  24           HG2      LYS  24  -0.179  11.463   9.315
  163   2HG   LYS  24           HG3      LYS  24   0.123  13.055   8.678
  164   1HD   LYS  24           HD2      LYS  24   1.112  12.258   6.857
  165   2HD   LYS  24           HD3      LYS  24   2.270  11.320   7.799
  166   1HE   LYS  24           HE2      LYS  24   0.881   9.405   7.776
  167   2HE   LYS  24           HE3      LYS  24  -0.511  10.309   7.137
  168   1HZ   LYS  24           HZ1      LYS  24   0.436  10.433   5.051
  169   2HZ   LYS  24           HZ2      LYS  24   1.969  10.427   5.589
  170   3HZ   LYS  24           HZ3      LYS  24   1.110   9.002   5.515
  171    H    CYS  25           H        CYS  25   0.755  12.867  13.710
  172    HA   CYS  25           HA       CYS  25   1.813  13.380  15.573
  173   1HB   CYS  25           HB2      CYS  25   4.152  12.859  15.926
  174   2HB   CYS  25           HB3      CYS  25   3.103  11.535  15.449
  175    H    ASP  26           H        ASP  26   1.104  15.503  14.403
  176    HA   ASP  26           HA       ASP  26   3.158  17.409  15.355
  177   1HB   ASP  26           HB2      ASP  26   1.163  18.984  15.271
  178   2HB   ASP  26           HB3      ASP  26   1.547  18.309  13.668
  179    H    GLY  27           H        GLY  27   0.250  15.554  16.380
  180   1HA   GLY  27           HA1      GLY  27   0.197  14.999  18.801
  181   2HA   GLY  27           HA2      GLY  27   0.518  16.690  19.146
  182    H    ASP  28           H        ASP  28  -1.587  17.354  16.721
  183    HA   ASP  28           HA       ASP  28  -3.915  17.243  18.532
  184   1HB   ASP  28           HB2      ASP  28  -3.484  18.523  15.810
  185   2HB   ASP  28           HB3      ASP  28  -5.073  18.305  16.507
  186    H    ASN  29           H        ASN  29  -5.662  16.117  18.348
  187    HA   ASN  29           HA       ASN  29  -5.648  13.472  17.565
  188   1HB   ASN  29           HB2      ASN  29  -8.160  15.199  17.630
  189   2HB   ASN  29           HB3      ASN  29  -8.037  13.512  17.985
  190    HD2  ASN  29           HD2      ASN  29  -6.267  13.031  19.915
  191    HD2  ASN  29           HD2      ASN  29  -6.515  14.151  21.275
  192    H    ASP  30           H        ASP  30  -5.230  15.149  15.013
  193    HA   ASP  30           HA       ASP  30  -7.319  16.683  14.537
  194   1HB   ASP  30           HB2      ASP  30  -6.051  17.343  12.623
  195   2HB   ASP  30           HB3      ASP  30  -4.904  16.822  13.857
  196    H    CYS  31           H        CYS  31  -6.915  13.583  13.385
  197    HA   CYS  31           HA       CYS  31  -8.998  13.248  11.556
  198   1HB   CYS  31           HB2      CYS  31  -7.006  11.886  11.785
  199   2HB   CYS  31           HB3      CYS  31  -7.415  11.472  13.441
  200    H    LEU  32           H        LEU  32  -9.235  13.529  14.926
  201    HA   LEU  32           HA       LEU  32 -10.865  13.401  16.451
  202   1HB   LEU  32           HB2      LEU  32 -12.807  14.252  15.897
  203   2HB   LEU  32           HB3      LEU  32 -12.205  14.268  14.254
  204    HG   LEU  32           HG       LEU  32 -13.310  11.895  14.025
  205    HD1  LEU  32           HD1      LEU  32 -15.376  11.659  15.353
  206    HD1  LEU  32           HD1      LEU  32 -13.982  11.611  16.427
  207    HD1  LEU  32           HD1      LEU  32 -14.948  13.091  16.318
  208    HD2  LEU  32           HD2      LEU  32 -14.011  13.913  12.819
  209    HD2  LEU  32           HD2      LEU  32 -15.430  13.010  13.380
  210    HD2  LEU  32           HD2      LEU  32 -14.918  14.478  14.239
  211    H    ASP  33           H        ASP  33 -10.789  10.835  14.130
  212    HA   ASP  33           HA       ASP  33 -11.442   8.659  16.018
  213   1HB   ASP  33           HB2      ASP  33 -11.893   7.965  13.883
  214   2HB   ASP  33           HB3      ASP  33 -10.681   8.988  13.152
  215    H    ASN  34           H        ASN  34  -8.874  10.805  15.379
  216    HA   ASN  34           HA       ASN  34  -6.726  10.997  15.966
  217   1HB   ASN  34           HB2      ASN  34  -7.938  10.981  18.160
  218   2HB   ASN  34           HB3      ASN  34  -7.637   9.258  18.312
  219    HD2  ASN  34           HD2      ASN  34  -5.184   8.717  18.076
  220    HD2  ASN  34           HD2      ASN  34  -4.140   9.690  19.147
  221    H    SER  35           H        SER  35  -6.409   9.731  13.924
  222    HA   SER  35           HA       SER  35  -5.450   6.990  14.298
  223   1HB   SER  35           HB2      SER  35  -6.009   8.766  11.904
  224   2HB   SER  35           HB3      SER  35  -4.889   7.418  11.731
  225    HG   SER  35           HG       SER  35  -7.633   7.118  12.697
  226    H    ASP  36           H        ASP  36  -4.284  10.089  13.176
  227    HA   ASP  36           HA       ASP  36  -1.657   9.720  12.707
  228   1HB   ASP  36           HB2      ASP  36  -1.702  12.248  13.550
  229   2HB   ASP  36           HB3      ASP  36  -2.419  11.759  12.041
  230    H    GLU  37           H        GLU  37  -3.018  11.045  15.555
  231    HA   GLU  37           HA       GLU  37  -0.700  10.687  17.191
  232   1HB   GLU  37           HB2      GLU  37  -3.415  11.684  18.056
  233   2HB   GLU  37           HB3      GLU  37  -1.821  12.079  18.716
  234   1HG   GLU  37           HG2      GLU  37  -2.898  12.792  16.021
  235   2HG   GLU  37           HG3      GLU  37  -2.664  13.894  17.405
  236    H    ALA  38           H        ALA  38  -2.501   8.105  16.288
  237    HA   ALA  38           HA       ALA  38  -1.749   6.938  18.882
  238   1HB   ALA  38           HB1      ALA  38  -3.182   5.048  18.044
  239   2HB   ALA  38           HB2      ALA  38  -4.110   6.549  18.291
  240   3HB   ALA  38           HB3      ALA  38  -3.638   6.065  16.651
  241    HA   PRO  39           HA       PRO  39   1.769   5.759  16.368
  242   1HB   PRO  39           HB2      PRO  39   2.901   3.782  17.888
  243   2HB   PRO  39           HB3      PRO  39   2.835   5.497  18.386
  244   1HG   PRO  39           HG2      PRO  39   0.895   3.280  19.135
  245   2HG   PRO  39           HG3      PRO  39   1.764   4.402  20.236
  246   1HD   PRO  39           HD2      PRO  39  -0.768   4.915  19.444
  247   2HD   PRO  39           HD3      PRO  39   0.428   6.242  19.560
  248    H    ALA  40           H        ALA  40  -0.827   4.441  15.847
  249    HA   ALA  40           HA       ALA  40  -0.078   2.037  14.256
  250   1HB   ALA  40           HB1      ALA  40  -2.625   3.731  14.352
  251   2HB   ALA  40           HB2      ALA  40  -2.382   2.271  13.369
  252   3HB   ALA  40           HB3      ALA  40  -2.395   2.151  15.140
  253    H    LEU  41           H        LEU  41  -0.252   5.534  14.225
  254    HA   LEU  41           HA       LEU  41   0.731   5.630  11.424
  255   1HB   LEU  41           HB2      LEU  41  -1.481   6.646  11.819
  256   2HB   LEU  41           HB3      LEU  41  -0.809   7.731  13.012
  257    HG   LEU  41           HG       LEU  41   0.478   7.627  10.272
  258    HD1  LEU  41           HD1      LEU  41  -2.134   9.083  10.756
  259    HD1  LEU  41           HD1      LEU  41  -1.100   9.248   9.331
  260    HD1  LEU  41           HD1      LEU  41  -1.871   7.697   9.686
  261    HD2  LEU  41           HD2      LEU  41   0.506   9.496  12.540
  262    HD2  LEU  41           HD2      LEU  41   1.631   9.296  11.189
  263    HD2  LEU  41           HD2      LEU  41   0.161  10.284  11.037
  264    H    CYS  42           H        CYS  42   0.865   8.121  14.162
  265    HA   CYS  42           HA       CYS  42   3.730   7.283  14.420
  266   1HB   CYS  42           HB2      CYS  42   3.690   9.023  12.686
  267   2HB   CYS  42           HB3      CYS  42   2.770  10.072  13.742
  268    H    HIS  43           H        HIS  43   1.366   9.678  15.631
  269    HA   HIS  43           HA       HIS  43   1.378  10.999  17.354
  270   1HB   HIS  43           HB2      HIS  43   0.483   8.766  18.271
  271   2HB   HIS  43           HB3      HIS  43   2.028   8.591  19.076
  272    HD1  HIS  43           HD1      HIS  43   0.433  12.120  18.830
  273    HD2  HIS  43           HD2      HIS  43   1.012   8.903  21.542
  274    HE1  HIS  43           HE1      HIS  43  -0.139  12.980  21.174
  275    H    GLN  44           H        GLN  44   4.226   8.959  18.205
  276    HA   GLN  44           HA       GLN  44   5.396  11.380  19.484
  277   1HB   GLN  44           HB2      GLN  44   5.249   9.293  20.771
  278   2HB   GLN  44           HB3      GLN  44   6.368   8.507  19.644
  279   1HG   GLN  44           HG2      GLN  44   8.148  10.059  20.242
  280   2HG   GLN  44           HG3      GLN  44   7.030  11.092  21.141
  281    HE2  GLN  44           HE2      GLN  44   6.138  10.271  23.243
  282    HE2  GLN  44           HE2      GLN  44   7.093   9.005  24.029
  283    H    HIS  45           H        HIS  45   6.020  12.608  17.796
  284    HA   HIS  45           HA       HIS  45   7.155  11.916  15.408
  285   1HB   HIS  45           HB2      HIS  45   6.320  14.185  16.352
  286   2HB   HIS  45           HB3      HIS  45   7.987  14.464  16.826
  287    HD1  HIS  45           HD1      HIS  45   5.686  14.929  14.050
  288    HD2  HIS  45           HD2      HIS  45   9.799  14.128  14.500
  289    HE1  HIS  45           HE1      HIS  45   6.804  15.448  11.776
  Start of MODEL   15
    1    H    GLY   1           H        GLY   1   3.815   0.456  -3.174
    2   1HA   GLY   1           HA1      GLY   1   1.426   0.725  -3.501
    3   2HA   GLY   1           HA2      GLY   1   1.614  -0.462  -2.207
    4    H    SER   2           H        SER   2   2.612   2.412  -0.916
    5    HA   SER   2           HA       SER   2   0.422   2.764   0.841
    6   1HB   SER   2           HB2      SER   2   2.557   4.788   0.064
    7   2HB   SER   2           HB3      SER   2   1.535   4.849   1.514
    8    HG   SER   2           HG       SER   2   2.477   2.789   2.092
    9    HA   PRO   3           HA       PRO   3  -2.323   4.735  -1.993
   10   1HB   PRO   3           HB2      PRO   3  -4.357   5.567  -0.360
   11   2HB   PRO   3           HB3      PRO   3  -4.029   3.860  -0.770
   12   1HG   PRO   3           HG2      PRO   3  -3.141   5.378   1.704
   13   2HG   PRO   3           HG3      PRO   3  -3.936   3.773   1.613
   14   1HD   PRO   3           HD2      PRO   3  -1.240   4.015   1.849
   15   2HD   PRO   3           HD3      PRO   3  -1.961   2.738   0.820
   16    HA   PRO   4           HA       PRO   4  -0.922   9.096  -1.593
   17   1HB   PRO   4           HB2      PRO   4  -1.171   9.842  -4.189
   18   2HB   PRO   4           HB3      PRO   4  -0.008   8.567  -3.719
   19   1HG   PRO   4           HG2      PRO   4  -2.827   8.161  -4.771
   20   2HG   PRO   4           HG3      PRO   4  -1.298   7.473  -5.417
   21   1HD   PRO   4           HD2      PRO   4  -2.861   6.111  -3.646
   22   2HD   PRO   4           HD3      PRO   4  -1.075   6.002  -3.595
   23    H    GLN   5           H        GLN   5  -3.254   8.617  -0.433
   24    HA   GLN   5           HA       GLN   5  -5.565  10.075  -1.417
   25   1HB   GLN   5           HB2      GLN   5  -4.576   8.958   1.207
   26   2HB   GLN   5           HB3      GLN   5  -6.067   9.937   1.166
   27   1HG   GLN   5           HG2      GLN   5  -7.104   8.396  -0.423
   28   2HG   GLN   5           HG3      GLN   5  -5.617   7.459  -0.556
   29    HE2  GLN   5           HE2      GLN   5  -8.564   7.893   1.347
   30    HE2  GLN   5           HE2      GLN   5  -8.081   6.642   2.503
   31    H    CYS   6           H        CYS   6  -6.198  12.144  -1.002
   32    HA   CYS   6           HA       CYS   6  -5.992  14.322  -1.043
   33   1HB   CYS   6           HB2      CYS   6  -4.470  13.856   1.335
   34   2HB   CYS   6           HB3      CYS   6  -3.581  14.995   0.364
   35    H    GLN   7           H        GLN   7  -2.592  13.161  -0.880
   36    HA   GLN   7           HA       GLN   7  -2.127  13.595  -3.724
   37   1HB   GLN   7           HB2      GLN   7  -0.306  15.089  -1.797
   38   2HB   GLN   7           HB3      GLN   7  -0.405  15.248  -3.529
   39   1HG   GLN   7           HG2      GLN   7  -2.633  16.335  -3.314
   40   2HG   GLN   7           HG3      GLN   7  -2.484  16.279  -1.558
   41    HE2  GLN   7           HE2      GLN   7  -0.809  17.801  -0.469
   42    HE2  GLN   7           HE2      GLN   7  -0.166  19.026  -1.572
   43    HA   PRO   8           HA       PRO   8   0.876  10.367  -2.675
   44   1HB   PRO   8           HB2      PRO   8   2.987  10.713  -4.387
   45   2HB   PRO   8           HB3      PRO   8   1.380  10.144  -4.913
   46   1HG   PRO   8           HG2      PRO   8   2.442  12.984  -4.988
   47   2HG   PRO   8           HG3      PRO   8   1.669  12.055  -6.316
   48   1HD   PRO   8           HD2      PRO   8   0.245  13.783  -4.829
   49   2HD   PRO   8           HD3      PRO   8  -0.471  12.221  -5.305
   50    H    GLY   9           H        GLY   9   0.960  11.411  -0.632
   51   1HA   GLY   9           HA1      GLY   9   3.180  11.273   0.848
   52   2HA   GLY   9           HA2      GLY   9   3.542  12.799   0.043
   53    H    GLU  10           H        GLU  10   0.381  11.692   1.347
   54    HA   GLU  10           HA       GLU  10   0.399  13.984   3.254
   55   1HB   GLU  10           HB2      GLU  10  -1.674  13.174   1.216
   56   2HB   GLU  10           HB3      GLU  10  -2.017  14.364   2.455
   57   1HG   GLU  10           HG2      GLU  10   0.211  14.632   0.372
   58   2HG   GLU  10           HG3      GLU  10  -1.430  15.206   0.202
   59    H    PHE  11           H        PHE  11  -2.207  13.672   4.461
   60    HA   PHE  11           HA       PHE  11  -1.970  11.064   5.638
   61   1HB   PHE  11           HB2      PHE  11  -1.175  12.632   7.094
   62   2HB   PHE  11           HB3      PHE  11  -2.451  13.775   6.813
   63    HD1  PHE  11           HD1      PHE  11  -2.791  10.048   7.511
   64    HD2  PHE  11           HD2      PHE  11  -3.257  14.060   9.059
   65    HE1  PHE  11           HE1      PHE  11  -4.217   9.190   9.314
   66    HE2  PHE  11           HE2      PHE  11  -4.670  13.166  10.860
   67    HZ   PHE  11           HZ       PHE  11  -5.210  10.769  10.960
   68    H    ALA  12           H        ALA  12  -3.432   9.725   5.435
   69    HA   ALA  12           HA       ALA  12  -6.258  10.393   4.872
   70   1HB   ALA  12           HB1      ALA  12  -6.436   8.015   4.285
   71   2HB   ALA  12           HB2      ALA  12  -5.130   8.798   3.373
   72   3HB   ALA  12           HB3      ALA  12  -4.743   7.751   4.750
   73    H    CYS  13           H        CYS  13  -7.381  10.737   6.650
   74    HA   CYS  13           HA       CYS  13  -6.935   9.423   9.242
   75   1HB   CYS  13           HB2      CYS  13  -7.555  11.794   9.049
   76   2HB   CYS  13           HB3      CYS  13  -8.985  11.323   8.138
   77    H    ALA  14           H        ALA  14  -7.878   7.478   9.719
   78    HA   ALA  14           HA       ALA  14  -9.853   6.185   8.172
   79   1HB   ALA  14           HB1      ALA  14  -9.142   5.770  11.095
   80   2HB   ALA  14           HB2      ALA  14  -9.957   4.617  10.030
   81   3HB   ALA  14           HB3      ALA  14  -8.272   5.077   9.712
   82    H    ASN  15           H        ASN  15 -10.459   8.876  10.323
   83    HA   ASN  15           HA       ASN  15 -13.272   8.196  10.767
   84   1HB   ASN  15           HB2      ASN  15 -12.182   9.888  12.195
   85   2HB   ASN  15           HB3      ASN  15 -11.930  10.949  10.817
   86    HD2  ASN  15           HD2      ASN  15 -14.517   9.423  12.791
   87    HD2  ASN  15           HD2      ASN  15 -15.663  10.693  12.340
   88    H    SER  16           H        SER  16 -11.428   9.513   8.159
   89    HA   SER  16           HA       SER  16 -12.068   8.874   5.959
   90   1HB   SER  16           HB2      SER  16 -14.721  10.289   6.349
   91   2HB   SER  16           HB3      SER  16 -14.129   9.502   4.874
   92    HG   SER  16           HG       SER  16 -14.713   8.368   7.376
   93    H    ARG  17           H        ARG  17 -10.306  10.498   6.633
   94    HA   ARG  17           HA       ARG  17 -10.914  13.121   5.239
   95   1HB   ARG  17           HB2      ARG  17  -9.147  13.338   7.607
   96   2HB   ARG  17           HB3      ARG  17 -10.192  14.521   6.900
   97   1HG   ARG  17           HG2      ARG  17 -11.100  12.170   8.632
   98   2HG   ARG  17           HG3      ARG  17 -10.759  13.783   9.214
   99   1HD   ARG  17           HD2      ARG  17 -13.088  12.892   7.500
  100   2HD   ARG  17           HD3      ARG  17 -13.097  13.515   9.126
  101    HE   ARG  17           HE       ARG  17 -12.568  15.705   8.342
  102    HH1  ARG  17           HH1      ARG  17 -13.170  17.324   6.959
  103    HH1  ARG  17           HH1      ARG  17 -13.695  16.956   5.345
  104    HH2  ARG  17           HH2      ARG  17 -13.838  14.848   4.631
  105    HH2  ARG  17           HH2      ARG  17 -13.301  13.523   5.626
  106    H    CYS  18           H        CYS  18  -9.633  14.085   3.861
  107    HA   CYS  18           HA       CYS  18  -6.797  13.193   3.889
  108   1HB   CYS  18           HB2      CYS  18  -6.462  13.331   1.841
  109   2HB   CYS  18           HB3      CYS  18  -8.173  13.061   1.640
  110    H    ILE  19           H        ILE  19  -5.495  14.313   4.902
  111    HA   ILE  19           HA       ILE  19  -5.508  17.282   4.770
  112    HB   ILE  19           HB       ILE  19  -4.632  17.191   7.206
  113    HG2  ILE  19           HG2      ILE  19  -6.642  18.381   6.622
  114    HG2  ILE  19           HG2      ILE  19  -7.602  16.889   6.647
  115    HG2  ILE  19           HG2      ILE  19  -6.890  17.518   8.149
  116    HG1  ILE  19           HG1      ILE  19  -4.687  14.591   7.183
  117    HG1  ILE  19           HG1      ILE  19  -5.067  15.471   8.638
  118    HD1  ILE  19           HD1      ILE  19  -7.435  15.067   8.401
  119    HD1  ILE  19           HD1      ILE  19  -7.161  14.237   6.849
  120    HD1  ILE  19           HD1      ILE  19  -6.510  13.562   8.348
  121    H    GLN  20           H        GLN  20  -3.284  17.979   5.539
  122    HA   GLN  20           HA       GLN  20  -1.441  16.397   3.969
  123   1HB   GLN  20           HB2      GLN  20  -0.095  18.531   4.003
  124   2HB   GLN  20           HB3      GLN  20  -1.730  18.720   3.360
  125   1HG   GLN  20           HG2      GLN  20  -2.505  19.753   5.431
  126   2HG   GLN  20           HG3      GLN  20  -0.989  19.364   6.240
  127    HE2  GLN  20           HE2      GLN  20  -0.685  20.612   2.946
  128    HE2  GLN  20           HE2      GLN  20  -0.205  22.218   3.501
  129    H    GLU  21           H        GLU  21   0.651  16.035   4.446
  130    HA   GLU  21           HA       GLU  21   1.004  14.521   6.767
  131   1HB   GLU  21           HB2      GLU  21   2.014  13.990   4.702
  132   2HB   GLU  21           HB3      GLU  21   2.923  15.500   4.625
  133   1HG   GLU  21           HG2      GLU  21   4.519  14.784   6.138
  134   2HG   GLU  21           HG3      GLU  21   3.470  13.624   6.911
  135    H    ARG  22           H        ARG  22   1.629  17.856   6.522
  136    HA   ARG  22           HA       ARG  22   3.363  18.358   8.766
  137   1HB   ARG  22           HB2      ARG  22   2.789  20.219   7.529
  138   2HB   ARG  22           HB3      ARG  22   1.091  19.781   7.424
  139   1HG   ARG  22           HG2      ARG  22   0.762  20.358   9.810
  140   2HG   ARG  22           HG3      ARG  22   2.470  20.849   9.929
  141   1HD   ARG  22           HD2      ARG  22   2.149  22.746   8.625
  142   2HD   ARG  22           HD3      ARG  22   0.845  22.010   7.700
  143    HE   ARG  22           HE       ARG  22   0.505  22.848  10.548
  144    HH1  ARG  22           HH1      ARG  22  -1.403  23.774  11.139
  145    HH1  ARG  22           HH1      ARG  22  -2.622  24.121   9.956
  146    HH2  ARG  22           HH2      ARG  22  -2.279  23.726   7.808
  147    HH2  ARG  22           HH2      ARG  22  -0.877  22.864   7.239
  148    H    TRP  23           H        TRP  23   0.081  17.000   8.729
  149    HA   TRP  23           HA       TRP  23  -0.259  17.354  11.607
  150   1HB   TRP  23           HB2      TRP  23  -2.109  16.219   9.492
  151   2HB   TRP  23           HB3      TRP  23  -2.521  16.773  11.101
  152    HD1  TRP  23           HD1      TRP  23  -0.586  19.026   8.625
  153    HE1  TRP  23           HE1      TRP  23  -1.965  21.048   8.013
  154    HE3  TRP  23           HE3      TRP  23  -5.012  17.616  10.677
  155    HZ2  TRP  23           HZ2      TRP  23  -4.651  21.974   8.352
  156    HZ3  TRP  23           HZ3      TRP  23  -6.995  19.076  10.510
  157    HH2  TRP  23           HH2      TRP  23  -6.834  21.273   9.348
  158    H    LYS  24           H        LYS  24   1.375  14.970   9.721
  159    HA   LYS  24           HA       LYS  24   0.527  12.661  11.270
  160   1HB   LYS  24           HB2      LYS  24   2.752  13.223   9.242
  161   2HB   LYS  24           HB3      LYS  24   2.493  11.663   9.990
  162   1HG   LYS  24           HG2      LYS  24   0.207  11.536   8.973
  163   2HG   LYS  24           HG3      LYS  24   0.432  13.156   8.355
  164   1HD   LYS  24           HD2      LYS  24   1.376  12.399   6.508
  165   2HD   LYS  24           HD3      LYS  24   2.685  11.667   7.442
  166   1HE   LYS  24           HE2      LYS  24   1.609   9.569   7.508
  167   2HE   LYS  24           HE3      LYS  24   0.085  10.235   6.869
  168   1HZ   LYS  24           HZ1      LYS  24   0.989  10.508   4.788
  169   2HZ   LYS  24           HZ2      LYS  24   2.531  10.644   5.301
  170   3HZ   LYS  24           HZ3      LYS  24   1.808   9.139   5.232
  171    H    CYS  25           H        CYS  25   1.062  12.699  13.336
  172    HA   CYS  25           HA       CYS  25   2.060  13.272  15.233
  173   1HB   CYS  25           HB2      CYS  25   4.321  12.676  15.627
  174   2HB   CYS  25           HB3      CYS  25   3.318  11.385  14.986
  175    H    ASP  26           H        ASP  26   1.412  15.453  14.160
  176    HA   ASP  26           HA       ASP  26   3.457  17.279  15.249
  177   1HB   ASP  26           HB2      ASP  26   1.312  18.725  15.597
  178   2HB   ASP  26           HB3      ASP  26   1.903  18.523  13.938
  179    H    GLY  27           H        GLY  27   0.956  14.958  16.240
  180   1HA   GLY  27           HA1      GLY  27   0.784  14.176  18.503
  181   2HA   GLY  27           HA2      GLY  27   1.431  15.695  19.100
  182    H    ASP  28           H        ASP  28  -0.961  16.019  16.470
  183    HA   ASP  28           HA       ASP  28  -3.002  16.539  18.591
  184   1HB   ASP  28           HB2      ASP  28  -2.335  18.649  17.540
  185   2HB   ASP  28           HB3      ASP  28  -2.904  18.031  15.980
  186    H    ASN  29           H        ASN  29  -4.906  15.928  18.444
  187    HA   ASN  29           HA       ASN  29  -5.663  13.430  17.622
  188   1HB   ASN  29           HB2      ASN  29  -7.577  15.818  17.648
  189   2HB   ASN  29           HB3      ASN  29  -7.956  14.164  17.958
  190    HD2  ASN  29           HD2      ASN  29  -6.099  16.989  19.403
  191    HD2  ASN  29           HD2      ASN  29  -6.253  16.270  21.016
  192    H    ASP  30           H        ASP  30  -5.884  16.296  15.887
  193    HA   ASP  30           HA       ASP  30  -7.040  17.218  14.192
  194   1HB   ASP  30           HB2      ASP  30  -5.330  17.498  12.835
  195   2HB   ASP  30           HB3      ASP  30  -4.483  16.616  14.066
  196    H    CYS  31           H        CYS  31  -6.653  13.918  13.628
  197    HA   CYS  31           HA       CYS  31  -8.717  13.574  11.699
  198   1HB   CYS  31           HB2      CYS  31  -6.649  12.287  11.693
  199   2HB   CYS  31           HB3      CYS  31  -6.888  11.795  13.360
  200    H    LEU  32           H        LEU  32  -8.610  13.438  15.139
  201    HA   LEU  32           HA       LEU  32 -10.193  13.215  16.748
  202   1HB   LEU  32           HB2      LEU  32 -12.143  14.168  16.312
  203   2HB   LEU  32           HB3      LEU  32 -11.606  14.278  14.655
  204    HG   LEU  32           HG       LEU  32 -12.746  11.851  14.437
  205    HD1  LEU  32           HD1      LEU  32 -14.818  11.737  15.740
  206    HD1  LEU  32           HD1      LEU  32 -13.446  11.751  16.851
  207    HD1  LEU  32           HD1      LEU  32 -14.394  13.227  16.612
  208    HD2  LEU  32           HD2      LEU  32 -14.781  12.993  13.662
  209    HD2  LEU  32           HD2      LEU  32 -14.246  14.495  14.453
  210    HD2  LEU  32           HD2      LEU  32 -13.316  13.803  13.100
  211    H    ASP  33           H        ASP  33 -10.181  10.880  14.238
  212    HA   ASP  33           HA       ASP  33 -10.772   8.559  15.992
  213   1HB   ASP  33           HB2      ASP  33 -11.444   8.104  13.827
  214   2HB   ASP  33           HB3      ASP  33 -10.210   9.102  13.094
  215    H    ASN  34           H        ASN  34  -8.276  10.766  15.397
  216    HA   ASN  34           HA       ASN  34  -6.044  10.887  15.657
  217   1HB   ASN  34           HB2      ASN  34  -6.721   9.077  18.019
  218   2HB   ASN  34           HB3      ASN  34  -5.231   9.998  17.838
  219    HD2  ASN  34           HD2      ASN  34  -5.489  11.281  19.717
  220    HD2  ASN  34           HD2      ASN  34  -6.798  12.475  19.810
  221    H    SER  35           H        SER  35  -6.064   9.577  13.549
  222    HA   SER  35           HA       SER  35  -5.147   6.813  13.729
  223   1HB   SER  35           HB2      SER  35  -5.638   8.791  11.473
  224   2HB   SER  35           HB3      SER  35  -4.656   7.365  11.178
  225    HG   SER  35           HG       SER  35  -7.370   7.181  12.239
  226    H    ASP  36           H        ASP  36  -3.935   9.916  12.775
  227    HA   ASP  36           HA       ASP  36  -1.317   9.596  12.201
  228   1HB   ASP  36           HB2      ASP  36  -1.343  12.067  13.221
  229   2HB   ASP  36           HB3      ASP  36  -2.118  11.690  11.709
  230    H    GLU  37           H        GLU  37  -2.679  10.672  15.184
  231    HA   GLU  37           HA       GLU  37  -0.279  10.259  16.657
  232   1HB   GLU  37           HB2      GLU  37  -2.926  11.138  17.789
  233   2HB   GLU  37           HB3      GLU  37  -1.272  11.498  18.346
  234   1HG   GLU  37           HG2      GLU  37  -2.536  12.412  15.773
  235   2HG   GLU  37           HG3      GLU  37  -2.270  13.401  17.217
  236    H    ALA  38           H        ALA  38  -2.079   7.704  15.691
  237    HA   ALA  38           HA       ALA  38  -1.207   6.341  18.148
  238   1HB   ALA  38           HB1      ALA  38  -3.585   5.989  17.575
  239   2HB   ALA  38           HB2      ALA  38  -3.139   5.621  15.899
  240   3HB   ALA  38           HB3      ALA  38  -2.648   4.515  17.211
  241    HA   PRO  39           HA       PRO  39   2.238   5.443  15.431
  242   1HB   PRO  39           HB2      PRO  39   3.481   3.399  16.754
  243   2HB   PRO  39           HB3      PRO  39   3.373   5.062  17.393
  244   1HG   PRO  39           HG2      PRO  39   1.534   2.725  18.015
  245   2HG   PRO  39           HG3      PRO  39   2.402   3.784  19.178
  246   1HD   PRO  39           HD2      PRO  39  -0.175   4.265  18.498
  247   2HD   PRO  39           HD3      PRO  39   0.979   5.617  18.707
  248    H    ALA  40           H        ALA  40  -0.344   4.108  14.865
  249    HA   ALA  40           HA       ALA  40   0.434   1.872  13.068
  250   1HB   ALA  40           HB1      ALA  40  -1.888   2.133  12.238
  251   2HB   ALA  40           HB2      ALA  40  -1.871   1.855  13.991
  252   3HB   ALA  40           HB3      ALA  40  -2.146   3.493  13.353
  253    H    LEU  41           H        LEU  41   0.198   5.358  13.364
  254    HA   LEU  41           HA       LEU  41   1.165   5.702  10.583
  255   1HB   LEU  41           HB2      LEU  41  -1.103   6.632  11.145
  256   2HB   LEU  41           HB3      LEU  41  -0.345   7.731  12.281
  257    HG   LEU  41           HG       LEU  41   0.835   7.626   9.519
  258    HD1  LEU  41           HD1      LEU  41  -1.840   8.926  10.047
  259    HD1  LEU  41           HD1      LEU  41  -0.857   9.150   8.585
  260    HD1  LEU  41           HD1      LEU  41  -1.532   7.553   8.964
  261    HD2  LEU  41           HD2      LEU  41   1.457   9.738   9.755
  262    HD2  LEU  41           HD2      LEU  41   0.114  10.209  10.814
  263    HD2  LEU  41           HD2      LEU  41   1.483   9.302  11.447
  264    H    CYS  42           H        CYS  42   1.251   7.995  13.505
  265    HA   CYS  42           HA       CYS  42   4.146   7.299  13.612
  266   1HB   CYS  42           HB2      CYS  42   3.956   9.166  12.054
  267   2HB   CYS  42           HB3      CYS  42   3.041  10.083  13.240
  268    H    HIS  43           H        HIS  43   1.730   9.455  15.211
  269    HA   HIS  43           HA       HIS  43   1.586  10.278  17.291
  270   1HB   HIS  43           HB2      HIS  43   1.104   7.914  17.852
  271   2HB   HIS  43           HB3      HIS  43   2.811   7.614  18.130
  272    HD1  HIS  43           HD1      HIS  43  -0.163   9.186  19.807
  273    HD2  HIS  43           HD2      HIS  43   3.976   8.657  20.331
  274    HE1  HIS  43           HE1      HIS  43   0.373   9.881  22.248
  275    H    GLN  44           H        GLN  44   2.532  11.969  17.997
  276    HA   GLN  44           HA       GLN  44   5.053  11.525  19.464
  277   1HB   GLN  44           HB2      GLN  44   4.615  13.864  17.571
  278   2HB   GLN  44           HB3      GLN  44   5.693  13.973  18.961
  279   1HG   GLN  44           HG2      GLN  44   6.958  11.985  18.164
  280   2HG   GLN  44           HG3      GLN  44   6.006  11.963  16.690
  281    HE2  GLN  44           HE2      GLN  44   5.964  14.568  15.629
  282    HE2  GLN  44           HE2      GLN  44   7.647  15.099  15.614
  283    H    HIS  45           H        HIS  45   5.356  13.200  21.186
  284    HA   HIS  45           HA       HIS  45   2.910  14.498  22.166
  285   1HB   HIS  45           HB2      HIS  45   3.195  13.368  24.405
  286   2HB   HIS  45           HB3      HIS  45   2.562  12.362  23.112
  287    HD1  HIS  45           HD1      HIS  45   3.727  10.105  22.759
  288    HD2  HIS  45           HD2      HIS  45   6.022  12.914  24.914
  289    HE1  HIS  45           HE1      HIS  45   5.835   8.882  23.575
  Start of MODEL   16
    1    H    GLY   1           H        GLY   1   0.297  -1.173   2.576
    2   1HA   GLY   1           HA1      GLY   1   0.727  -0.549   0.216
    3   2HA   GLY   1           HA2      GLY   1  -0.922  -0.098   0.662
    4    H    SER   2           H        SER   2   1.142   1.877   2.286
    5    HA   SER   2           HA       SER   2   1.275   4.218   2.277
    6   1HB   SER   2           HB2      SER   2   2.971   3.318  -0.070
    7   2HB   SER   2           HB3      SER   2   3.147   4.867   0.780
    8    HG   SER   2           HG       SER   2   3.723   3.777   2.630
    9    HA   PRO   3           HA       PRO   3  -1.671   4.828  -1.297
   10   1HB   PRO   3           HB2      PRO   3  -3.936   5.687  -0.028
   11   2HB   PRO   3           HB3      PRO   3  -3.478   3.969  -0.204
   12   1HG   PRO   3           HG2      PRO   3  -2.984   5.782   2.182
   13   2HG   PRO   3           HG3      PRO   3  -3.697   4.137   2.170
   14   1HD   PRO   3           HD2      PRO   3  -1.062   4.534   2.705
   15   2HD   PRO   3           HD3      PRO   3  -1.610   3.131   1.739
   16    HA   PRO   4           HA       PRO   4  -0.572   9.281  -1.169
   17   1HB   PRO   4           HB2      PRO   4  -0.646   9.806  -3.836
   18   2HB   PRO   4           HB3      PRO   4   0.554   8.664  -3.162
   19   1HG   PRO   4           HG2      PRO   4  -2.128   7.969  -4.404
   20   2HG   PRO   4           HG3      PRO   4  -0.507   7.339  -4.853
   21   1HD   PRO   4           HD2      PRO   4  -2.134   6.019  -3.111
   22   2HD   PRO   4           HD3      PRO   4  -0.358   6.047  -2.888
   23    H    GLN   5           H        GLN   5  -2.977   8.742  -0.180
   24    HA   GLN   5           HA       GLN   5  -5.239  10.085  -1.433
   25   1HB   GLN   5           HB2      GLN   5  -4.456   9.123   1.324
   26   2HB   GLN   5           HB3      GLN   5  -5.962  10.051   1.095
   27   1HG   GLN   5           HG2      GLN   5  -6.797   8.397  -0.512
   28   2HG   GLN   5           HG3      GLN   5  -5.287   7.491  -0.425
   29    HE2  GLN   5           HE2      GLN   5  -8.340   8.220   1.325
   30    HE2  GLN   5           HE2      GLN   5  -8.018   6.938   2.503
   31    H    CYS   6           H        CYS   6  -6.004  12.156  -1.032
   32    HA   CYS   6           HA       CYS   6  -5.870  14.336  -1.090
   33   1HB   CYS   6           HB2      CYS   6  -4.341  13.932   1.318
   34   2HB   CYS   6           HB3      CYS   6  -3.558  15.162   0.365
   35    H    GLN   7           H        GLN   7  -2.426  13.336  -0.810
   36    HA   GLN   7           HA       GLN   7  -1.874  13.790  -3.635
   37   1HB   GLN   7           HB2      GLN   7  -0.205  15.387  -1.655
   38   2HB   GLN   7           HB3      GLN   7  -0.265  15.538  -3.389
   39   1HG   GLN   7           HG2      GLN   7  -2.550  16.500  -3.242
   40   2HG   GLN   7           HG3      GLN   7  -2.451  16.446  -1.478
   41    HE2  GLN   7           HE2      GLN   7  -0.791  17.977  -0.359
   42    HE2  GLN   7           HE2      GLN   7  -0.243  19.289  -1.416
   43    HA   PRO   8           HA       PRO   8   1.187  10.698  -2.480
   44   1HB   PRO   8           HB2      PRO   8   3.329  11.069  -4.140
   45   2HB   PRO   8           HB3      PRO   8   1.739  10.485  -4.703
   46   1HG   PRO   8           HG2      PRO   8   2.774  13.337  -4.747
   47   2HG   PRO   8           HG3      PRO   8   2.045  12.406  -6.096
   48   1HD   PRO   8           HD2      PRO   8   0.573  14.113  -4.629
   49   2HD   PRO   8           HD3      PRO   8  -0.121  12.554  -5.145
   50    H    GLY   9           H        GLY   9   1.210  11.716  -0.433
   51   1HA   GLY   9           HA1      GLY   9   3.426  11.553   1.064
   52   2HA   GLY   9           HA2      GLY   9   3.746  13.128   0.337
   53    H    GLU  10           H        GLU  10   0.592  11.865   1.509
   54    HA   GLU  10           HA       GLU  10   0.447  14.117   3.459
   55   1HB   GLU  10           HB2      GLU  10  -1.533  13.204   1.377
   56   2HB   GLU  10           HB3      GLU  10  -1.933  14.417   2.575
   57   1HG   GLU  10           HG2      GLU  10   0.303  14.687   0.493
   58   2HG   GLU  10           HG3      GLU  10  -1.347  15.233   0.308
   59    H    PHE  11           H        PHE  11  -2.180  13.656   4.565
   60    HA   PHE  11           HA       PHE  11  -1.860  11.066   5.773
   61   1HB   PHE  11           HB2      PHE  11  -1.158  12.661   7.225
   62   2HB   PHE  11           HB3      PHE  11  -2.441  13.776   6.881
   63    HD1  PHE  11           HD1      PHE  11  -2.824  10.094   7.751
   64    HD2  PHE  11           HD2      PHE  11  -3.214  14.193   9.072
   65    HE1  PHE  11           HE1      PHE  11  -4.267   9.371   9.593
   66    HE2  PHE  11           HE2      PHE  11  -4.658  13.457  10.912
   67    HZ   PHE  11           HZ       PHE  11  -5.242  11.068  11.156
   68    H    ALA  12           H        ALA  12  -3.265   9.670   5.575
   69    HA   ALA  12           HA       ALA  12  -6.092  10.218   4.908
   70   1HB   ALA  12           HB1      ALA  12  -4.862   8.598   3.514
   71   2HB   ALA  12           HB2      ALA  12  -4.486   7.627   4.951
   72   3HB   ALA  12           HB3      ALA  12  -6.169   7.810   4.420
   73    H    CYS  13           H        CYS  13  -7.313  10.557   6.622
   74    HA   CYS  13           HA       CYS  13  -6.915   9.430   9.296
   75   1HB   CYS  13           HB2      CYS  13  -7.697  11.736   8.916
   76   2HB   CYS  13           HB3      CYS  13  -9.037  11.101   7.967
   77    H    ALA  14           H        ALA  14  -7.773   7.484   9.885
   78    HA   ALA  14           HA       ALA  14  -9.562   5.951   8.301
   79   1HB   ALA  14           HB1      ALA  14  -9.689   4.484  10.231
   80   2HB   ALA  14           HB2      ALA  14  -8.019   5.040  10.000
   81   3HB   ALA  14           HB3      ALA  14  -9.027   5.744  11.282
   82    H    ASN  15           H        ASN  15 -10.477   8.716  10.233
   83    HA   ASN  15           HA       ASN  15 -13.266   7.881  10.541
   84   1HB   ASN  15           HB2      ASN  15 -12.402   9.724  11.921
   85   2HB   ASN  15           HB3      ASN  15 -12.090  10.709  10.501
   86    HD2  ASN  15           HD2      ASN  15 -14.747   9.183  12.375
   87    HD2  ASN  15           HD2      ASN  15 -15.917  10.349  11.740
   88    H    SER  16           H        SER  16 -11.340   9.134   7.967
   89    HA   SER  16           HA       SER  16 -11.807   8.326   5.775
   90   1HB   SER  16           HB2      SER  16 -14.543   9.628   5.925
   91   2HB   SER  16           HB3      SER  16 -13.830   8.786   4.536
   92    HG   SER  16           HG       SER  16 -14.510   7.774   7.065
   93    H    ARG  17           H        ARG  17 -10.194  10.135   6.498
   94    HA   ARG  17           HA       ARG  17 -10.897  12.643   4.944
   95   1HB   ARG  17           HB2      ARG  17  -9.342  13.096   7.437
   96   2HB   ARG  17           HB3      ARG  17 -10.354  14.180   6.552
   97   1HG   ARG  17           HG2      ARG  17 -11.338  11.904   8.338
   98   2HG   ARG  17           HG3      ARG  17 -11.188  13.585   8.803
   99   1HD   ARG  17           HD2      ARG  17 -13.199  12.378   6.888
  100   2HD   ARG  17           HD3      ARG  17 -13.476  13.146   8.426
  101    HE   ARG  17           HE       ARG  17 -12.983  15.286   7.498
  102    HH1  ARG  17           HH1      ARG  17 -13.387  16.737   5.871
  103    HH1  ARG  17           HH1      ARG  17 -13.631  16.184   4.244
  104    HH2  ARG  17           HH2      ARG  17 -13.598  14.026   3.739
  105    HH2  ARG  17           HH2      ARG  17 -13.205  12.822   4.933
  106    H    CYS  18           H        CYS  18  -9.593  13.729   3.670
  107    HA   CYS  18           HA       CYS  18  -6.717  12.979   3.837
  108   1HB   CYS  18           HB2      CYS  18  -6.305  13.215   1.798
  109   2HB   CYS  18           HB3      CYS  18  -7.970  12.807   1.529
  110    H    ILE  19           H        ILE  19  -5.495  14.163   4.909
  111    HA   ILE  19           HA       ILE  19  -5.644  17.131   4.738
  112    HB   ILE  19           HB       ILE  19  -4.738  17.064   7.184
  113    HG2  ILE  19           HG2      ILE  19  -6.981  17.405   8.129
  114    HG2  ILE  19           HG2      ILE  19  -6.750  18.251   6.588
  115    HG2  ILE  19           HG2      ILE  19  -7.708  16.758   6.637
  116    HG1  ILE  19           HG1      ILE  19  -4.790  14.467   7.169
  117    HG1  ILE  19           HG1      ILE  19  -5.180  15.352   8.615
  118    HD1  ILE  19           HD1      ILE  19  -7.550  14.933   8.368
  119    HD1  ILE  19           HD1      ILE  19  -7.265  14.089   6.825
  120    HD1  ILE  19           HD1      ILE  19  -6.608  13.439   8.334
  121    H    GLN  20           H        GLN  20  -3.488  17.969   5.351
  122    HA   GLN  20           HA       GLN  20  -1.505  16.452   3.914
  123   1HB   GLN  20           HB2      GLN  20  -0.355  18.646   3.791
  124   2HB   GLN  20           HB3      GLN  20  -2.075  18.844   3.419
  125   1HG   GLN  20           HG2      GLN  20  -2.415  19.477   5.871
  126   2HG   GLN  20           HG3      GLN  20  -0.657  19.458   6.045
  127    HE2  GLN  20           HE2      GLN  20  -0.950  20.811   3.032
  128    HE2  GLN  20           HE2      GLN  20  -1.101  22.477   3.611
  129    H    GLU  21           H        GLU  21   0.619  16.196   4.518
  130    HA   GLU  21           HA       GLU  21   0.920  14.769   6.932
  131   1HB   GLU  21           HB2      GLU  21   2.042  14.197   4.941
  132   2HB   GLU  21           HB3      GLU  21   2.910  15.731   4.845
  133   1HG   GLU  21           HG2      GLU  21   4.436  15.124   6.490
  134   2HG   GLU  21           HG3      GLU  21   3.374  13.954   7.236
  135    H    ARG  22           H        ARG  22   1.448  18.232   6.668
  136    HA   ARG  22           HA       ARG  22   3.074  18.689   8.977
  137   1HB   ARG  22           HB2      ARG  22   2.457  20.681   8.029
  138   2HB   ARG  22           HB3      ARG  22   0.814  20.164   7.685
  139   1HG   ARG  22           HG2      ARG  22   0.371  20.148  10.170
  140   2HG   ARG  22           HG3      ARG  22   1.959  20.903  10.420
  141   1HD   ARG  22           HD2      ARG  22   1.084  22.938   9.738
  142   2HD   ARG  22           HD3      ARG  22  -0.022  22.160   8.607
  143    HE   ARG  22           HE       ARG  22  -1.658  22.367  10.207
  144    HH1  ARG  22           HH1      ARG  22  -2.809  21.373  11.952
  145    HH1  ARG  22           HH1      ARG  22  -1.808  20.810  13.288
  146    HH2  ARG  22           HH2      ARG  22   0.084  20.889  13.422
  147    HH2  ARG  22           HH2      ARG  22   1.197  21.567  12.213
  148    H    TRP  23           H        TRP  23  -0.213  17.288   8.717
  149    HA   TRP  23           HA       TRP  23  -0.765  17.777  11.516
  150   1HB   TRP  23           HB2      TRP  23  -2.457  16.582   9.309
  151   2HB   TRP  23           HB3      TRP  23  -2.977  17.148  10.877
  152    HD1  TRP  23           HD1      TRP  23  -0.928  19.176   8.299
  153    HE1  TRP  23           HE1      TRP  23  -2.203  21.265   7.585
  154    HE3  TRP  23           HE3      TRP  23  -5.259  18.286  10.754
  155    HZ2  TRP  23           HZ2      TRP  23  -4.723  22.493   8.181
  156    HZ3  TRP  23           HZ3      TRP  23  -7.132  19.906  10.648
  157    HH2  TRP  23           HH2      TRP  23  -6.876  22.026   9.367
  158    H    LYS  24           H        LYS  24   1.038  15.347   9.859
  159    HA   LYS  24           HA       LYS  24   0.263  13.158  11.576
  160   1HB   LYS  24           HB2      LYS  24   2.546  13.630   9.600
  161   2HB   LYS  24           HB3      LYS  24   2.274  12.125  10.454
  162   1HG   LYS  24           HG2      LYS  24   0.121  11.789   9.327
  163   2HG   LYS  24           HG3      LYS  24   0.249  13.383   8.601
  164   1HD   LYS  24           HD2      LYS  24   1.469  12.685   6.904
  165   2HD   LYS  24           HD3      LYS  24   2.653  11.901   7.950
  166   1HE   LYS  24           HE2      LYS  24   1.495   9.839   7.874
  167   2HE   LYS  24           HE3      LYS  24   0.056  10.574   7.129
  168   1HZ   LYS  24           HZ1      LYS  24   1.912   9.419   5.649
  169   2HZ   LYS  24           HZ2      LYS  24   1.100  10.755   5.118
  170   3HZ   LYS  24           HZ3      LYS  24   2.600  10.935   5.733
  171    H    CYS  25           H        CYS  25   1.252  12.789  13.479
  172    HA   CYS  25           HA       CYS  25   2.573  13.042  15.325
  173   1HB   CYS  25           HB2      CYS  25   4.640  14.540  13.702
  174   2HB   CYS  25           HB3      CYS  25   4.883  13.660  15.190
  175    H    ASP  26           H        ASP  26   0.723  15.330  14.366
  176    HA   ASP  26           HA       ASP  26   2.107  17.809  15.202
  177   1HB   ASP  26           HB2      ASP  26   0.993  18.497  13.460
  178   2HB   ASP  26           HB3      ASP  26   0.093  17.041  13.312
  179    H    GLY  27           H        GLY  27   0.257  15.325  16.582
  180   1HA   GLY  27           HA1      GLY  27  -0.456  15.071  18.755
  181   2HA   GLY  27           HA2      GLY  27   0.102  16.703  19.137
  182    H    ASP  28           H        ASP  28  -1.999  17.179  16.481
  183    HA   ASP  28           HA       ASP  28  -4.299  17.388  18.313
  184   1HB   ASP  28           HB2      ASP  28  -3.821  19.436  17.032
  185   2HB   ASP  28           HB3      ASP  28  -4.198  18.555  15.545
  186    H    ASN  29           H        ASN  29  -5.907  16.310  18.175
  187    HA   ASN  29           HA       ASN  29  -6.392  13.746  17.336
  188   1HB   ASN  29           HB2      ASN  29  -8.497  15.961  17.236
  189   2HB   ASN  29           HB3      ASN  29  -8.749  14.285  17.587
  190    HD2  ASN  29           HD2      ASN  29  -7.339  17.363  18.893
  191    HD2  ASN  29           HD2      ASN  29  -7.425  16.767  20.568
  192    H    ASP  30           H        ASP  30  -6.934  16.648  15.676
  193    HA   ASP  30           HA       ASP  30  -7.924  17.472  13.873
  194   1HB   ASP  30           HB2      ASP  30  -6.122  17.966  12.727
  195   2HB   ASP  30           HB3      ASP  30  -5.300  17.030  13.944
  196    H    CYS  31           H        CYS  31  -7.120  14.264  13.273
  197    HA   CYS  31           HA       CYS  31  -9.042  13.636  11.277
  198   1HB   CYS  31           HB2      CYS  31  -6.944  12.481  11.370
  199   2HB   CYS  31           HB3      CYS  31  -7.095  12.130  13.082
  200    H    LEU  32           H        LEU  32  -9.162  13.795  14.697
  201    HA   LEU  32           HA       LEU  32 -10.845  13.590  16.217
  202   1HB   LEU  32           HB2      LEU  32 -12.866  14.276  15.595
  203   2HB   LEU  32           HB3      LEU  32 -12.166  14.407  13.998
  204    HG   LEU  32           HG       LEU  32 -13.056  11.862  13.772
  205    HD1  LEU  32           HD1      LEU  32 -14.014  11.792  16.089
  206    HD1  LEU  32           HD1      LEU  32 -15.043  13.175  15.682
  207    HD1  LEU  32           HD1      LEU  32 -15.247  11.626  14.835
  208    HD2  LEU  32           HD2      LEU  32 -13.628  13.703  12.283
  209    HD2  LEU  32           HD2      LEU  32 -15.084  12.806  12.727
  210    HD2  LEU  32           HD2      LEU  32 -14.747  14.376  13.494
  211    H    ASP  33           H        ASP  33 -10.398  11.059  13.961
  212    HA   ASP  33           HA       ASP  33 -11.091   8.871  15.847
  213   1HB   ASP  33           HB2      ASP  33 -11.617   8.194  13.716
  214   2HB   ASP  33           HB3      ASP  33 -10.408   9.199  12.953
  215    H    ASN  34           H        ASN  34  -8.622  11.088  15.299
  216    HA   ASN  34           HA       ASN  34  -6.412  11.295  15.690
  217   1HB   ASN  34           HB2      ASN  34  -7.072   9.421  18.009
  218   2HB   ASN  34           HB3      ASN  34  -5.624  10.413  17.876
  219    HD2  ASN  34           HD2      ASN  34  -5.868  11.878  19.595
  220    HD2  ASN  34           HD2      ASN  34  -7.325  12.894  19.716
  221    H    SER  35           H        SER  35  -6.108  10.102  13.556
  222    HA   SER  35           HA       SER  35  -5.398   7.268  13.822
  223   1HB   SER  35           HB2      SER  35  -5.825   9.140  11.487
  224   2HB   SER  35           HB3      SER  35  -4.773   7.749  11.279
  225    HG   SER  35           HG       SER  35  -7.484   7.447  12.297
  226    H    ASP  36           H        ASP  36  -3.967  10.389  12.749
  227    HA   ASP  36           HA       ASP  36  -1.408   9.405  12.345
  228   1HB   ASP  36           HB2      ASP  36  -0.753  11.701  12.504
  229   2HB   ASP  36           HB3      ASP  36  -1.984  11.379  11.291
  230    H    GLU  37           H        GLU  37  -2.828  11.244  14.980
  231    HA   GLU  37           HA       GLU  37  -0.573  10.965  16.716
  232   1HB   GLU  37           HB2      GLU  37  -3.293  11.865  17.620
  233   2HB   GLU  37           HB3      GLU  37  -1.682  12.340  18.188
  234   1HG   GLU  37           HG2      GLU  37  -3.012  13.024  15.586
  235   2HG   GLU  37           HG3      GLU  37  -2.628  14.145  16.919
  236    H    ALA  38           H        ALA  38  -2.349   8.286  15.853
  237    HA   ALA  38           HA       ALA  38  -1.511   7.201  18.458
  238   1HB   ALA  38           HB1      ALA  38  -3.906   6.833  18.025
  239   2HB   ALA  38           HB2      ALA  38  -3.530   6.173  16.422
  240   3HB   ALA  38           HB3      ALA  38  -3.007   5.305  17.884
  241    HA   PRO  39           HA       PRO  39   1.884   5.714  16.083
  242   1HB   PRO  39           HB2      PRO  39   2.865   3.695  17.629
  243   2HB   PRO  39           HB3      PRO  39   2.811   5.395  18.174
  244   1HG   PRO  39           HG2      PRO  39   0.766   3.214  18.731
  245   2HG   PRO  39           HG3      PRO  39   1.605   4.267  19.921
  246   1HD   PRO  39           HD2      PRO  39  -0.860   4.891  18.988
  247   2HD   PRO  39           HD3      PRO  39   0.367   6.164  19.254
  248    H    ALA  40           H        ALA  40  -0.764   4.544  15.399
  249    HA   ALA  40           HA       ALA  40  -0.014   2.143  13.819
  250   1HB   ALA  40           HB1      ALA  40  -2.195   2.561  12.719
  251   2HB   ALA  40           HB2      ALA  40  -2.392   2.404  14.475
  252   3HB   ALA  40           HB3      ALA  40  -2.434   4.013  13.716
  253    H    LEU  41           H        LEU  41   0.069   5.654  13.883
  254    HA   LEU  41           HA       LEU  41   1.395   5.728  11.223
  255   1HB   LEU  41           HB2      LEU  41  -0.944   6.662  11.412
  256   2HB   LEU  41           HB3      LEU  41  -0.322   7.823  12.561
  257    HG   LEU  41           HG       LEU  41   0.968   7.557   9.839
  258    HD1  LEU  41           HD1      LEU  41  -1.450   7.718   9.350
  259    HD1  LEU  41           HD1      LEU  41  -1.530   9.238  10.255
  260    HD1  LEU  41           HD1      LEU  41  -0.560   9.137   8.793
  261    HD2  LEU  41           HD2      LEU  41   1.319   9.988  10.016
  262    HD2  LEU  41           HD2      LEU  41   0.675   9.941  11.665
  263    HD2  LEU  41           HD2      LEU  41   2.148   9.045  11.221
  264    H    CYS  42           H        CYS  42   1.056   8.273  13.951
  265    HA   CYS  42           HA       CYS  42   3.960   7.912  14.325
  266   1HB   CYS  42           HB2      CYS  42   3.455   9.763  12.799
  267   2HB   CYS  42           HB3      CYS  42   2.447  10.525  14.030
  268    H    HIS  43           H        HIS  43   1.379   9.922  15.821
  269    HA   HIS  43           HA       HIS  43   1.181  10.756  17.907
  270   1HB   HIS  43           HB2      HIS  43   0.577   8.368  18.402
  271   2HB   HIS  43           HB3      HIS  43   2.241   8.038  18.838
  272    HD1  HIS  43           HD1      HIS  43  -0.847   9.722  20.161
  273    HD2  HIS  43           HD2      HIS  43   3.158   8.996  21.209
  274    HE1  HIS  43           HE1      HIS  43  -0.626  10.235  22.703
  275    H    GLN  44           H        GLN  44   4.351   9.071  17.710
  276    HA   GLN  44           HA       GLN  44   5.689  11.544  18.576
  277   1HB   GLN  44           HB2      GLN  44   6.968  10.441  20.342
  278   2HB   GLN  44           HB3      GLN  44   5.245  10.394  20.701
  279   1HG   GLN  44           HG2      GLN  44   5.159   8.016  19.895
  280   2HG   GLN  44           HG3      GLN  44   6.901   8.073  19.598
  281    HE2  GLN  44           HE2      GLN  44   4.664   6.987  21.882
  282    HE2  GLN  44           HE2      GLN  44   5.769   7.131  23.254
  283    H    HIS  45           H        HIS  45   8.017  11.476  18.189
  284    HA   HIS  45           HA       HIS  45   8.701  10.303  15.688
  285   1HB   HIS  45           HB2      HIS  45   9.600  12.420  16.839
  286   2HB   HIS  45           HB3      HIS  45  10.659  11.357  17.764
  287    HD1  HIS  45           HD1      HIS  45  11.508   9.448  15.328
  288    HD2  HIS  45           HD2      HIS  45  11.322  13.649  15.303
  289    HE1  HIS  45           HE1      HIS  45  13.115  10.262  13.456
  Start of MODEL   17
    1    H    GLY   1           H        GLY   1   4.522   1.736  -4.023
    2   1HA   GLY   1           HA1      GLY   1   2.159   1.325  -4.358
    3   2HA   GLY   1           HA2      GLY   1   2.701   0.106  -3.199
    4    H    SER   2           H        SER   2   2.821   3.029  -1.663
    5    HA   SER   2           HA       SER   2   0.379   2.586  -0.081
    6   1HB   SER   2           HB2      SER   2   2.428   4.839  -0.078
    7   2HB   SER   2           HB3      SER   2   1.042   4.751   1.030
    8    HG   SER   2           HG       SER   2   2.875   2.618   0.740
    9    HA   PRO   3           HA       PRO   3  -2.229   4.971  -2.704
   10   1HB   PRO   3           HB2      PRO   3  -4.261   5.768  -1.001
   11   2HB   PRO   3           HB3      PRO   3  -4.039   4.101  -1.612
   12   1HG   PRO   3           HG2      PRO   3  -3.144   5.244   1.047
   13   2HG   PRO   3           HG3      PRO   3  -3.985   3.696   0.731
   14   1HD   PRO   3           HD2      PRO   3  -1.286   3.843   1.083
   15   2HD   PRO   3           HD3      PRO   3  -2.013   2.691  -0.078
   16    HA   PRO   4           HA       PRO   4  -1.179   9.353  -2.083
   17   1HB   PRO   4           HB2      PRO   4  -2.551  10.489  -4.135
   18   2HB   PRO   4           HB3      PRO   4  -1.192   9.366  -4.433
   19   1HG   PRO   4           HG2      PRO   4  -4.151   8.706  -4.450
   20   2HG   PRO   4           HG3      PRO   4  -2.920   8.319  -5.693
   21   1HD   PRO   4           HD2      PRO   4  -3.660   6.541  -3.743
   22   2HD   PRO   4           HD3      PRO   4  -1.989   6.612  -4.379
   23    H    GLN   5           H        GLN   5  -2.265   9.095  -0.037
   24    HA   GLN   5           HA       GLN   5  -5.031   9.541   0.436
   25   1HB   GLN   5           HB2      GLN   5  -2.582   9.744   2.228
   26   2HB   GLN   5           HB3      GLN   5  -4.254   9.830   2.792
   27   1HG   GLN   5           HG2      GLN   5  -4.620   7.550   1.701
   28   2HG   GLN   5           HG3      GLN   5  -2.852   7.449   1.604
   29    HE2  GLN   5           HE2      GLN   5  -4.899   5.843   3.291
   30    HE2  GLN   5           HE2      GLN   5  -4.278   6.129   4.922
   31    H    CYS   6           H        CYS   6  -4.924  11.460  -1.084
   32    HA   CYS   6           HA       CYS   6  -6.207  13.533  -0.959
   33   1HB   CYS   6           HB2      CYS   6  -4.778  14.152   1.390
   34   2HB   CYS   6           HB3      CYS   6  -4.055  15.176   0.197
   35    H    GLN   7           H        GLN   7  -2.689  13.272  -1.035
   36    HA   GLN   7           HA       GLN   7  -2.598  13.719  -3.921
   37   1HB   GLN   7           HB2      GLN   7  -0.627  15.240  -2.188
   38   2HB   GLN   7           HB3      GLN   7  -1.032  15.481  -3.876
   39   1HG   GLN   7           HG2      GLN   7  -3.298  16.342  -3.165
   40   2HG   GLN   7           HG3      GLN   7  -2.748  16.277  -1.499
   41    HE2  GLN   7           HE2      GLN   7  -1.029  17.810  -0.718
   42    HE2  GLN   7           HE2      GLN   7  -0.699  19.170  -1.810
   43    HA   PRO   8           HA       PRO   8   0.450  10.482  -3.299
   44   1HB   PRO   8           HB2      PRO   8   2.388  10.802  -5.186
   45   2HB   PRO   8           HB3      PRO   8   0.695  10.405  -5.587
   46   1HG   PRO   8           HG2      PRO   8   1.988  13.149  -5.571
   47   2HG   PRO   8           HG3      PRO   8   1.022  12.391  -6.879
   48   1HD   PRO   8           HD2      PRO   8  -0.077  14.109  -5.106
   49   2HD   PRO   8           HD3      PRO   8  -0.997  12.690  -5.683
   50    H    GLY   9           H        GLY   9   0.729  11.605  -1.212
   51   1HA   GLY   9           HA1      GLY   9   3.130  11.271   0.024
   52   2HA   GLY   9           HA2      GLY   9   3.381  12.857  -0.710
   53    H    GLU  10           H        GLU  10   0.460  11.477   0.890
   54    HA   GLU  10           HA       GLU  10   0.453  13.728   2.833
   55   1HB   GLU  10           HB2      GLU  10  -1.716  12.884   0.877
   56   2HB   GLU  10           HB3      GLU  10  -2.025  14.030   2.169
   57   1HG   GLU  10           HG2      GLU  10  -0.016  14.424  -0.105
   58   2HG   GLU  10           HG3      GLU  10  -1.663  15.001  -0.031
   59    H    PHE  11           H        PHE  11  -2.028  13.310   4.162
   60    HA   PHE  11           HA       PHE  11  -1.800  10.471   5.081
   61   1HB   PHE  11           HB2      PHE  11  -0.761  11.686   6.703
   62   2HB   PHE  11           HB3      PHE  11  -1.661  13.153   6.431
   63    HD1  PHE  11           HD1      PHE  11  -2.620   9.624   7.450
   64    HD2  PHE  11           HD2      PHE  11  -2.738  13.859   8.319
   65    HE1  PHE  11           HE1      PHE  11  -4.144   9.190   9.347
   66    HE2  PHE  11           HE2      PHE  11  -4.274  13.395  10.207
   67    HZ   PHE  11           HZ       PHE  11  -5.026  11.100  10.690
   68    H    ALA  12           H        ALA  12  -3.838   9.437   5.369
   69    HA   ALA  12           HA       ALA  12  -6.104  11.263   5.615
   70   1HB   ALA  12           HB1      ALA  12  -7.601   9.567   4.536
   71   2HB   ALA  12           HB2      ALA  12  -6.363  10.215   3.455
   72   3HB   ALA  12           HB3      ALA  12  -6.168   8.591   4.172
   73    H    CYS  13           H        CYS  13  -7.651  10.864   6.897
   74    HA   CYS  13           HA       CYS  13  -7.094   9.652   9.499
   75   1HB   CYS  13           HB2      CYS  13  -7.823  12.005   9.279
   76   2HB   CYS  13           HB3      CYS  13  -9.222  11.473   8.348
   77    H    ALA  14           H        ALA  14  -8.013   7.752  10.132
   78    HA   ALA  14           HA       ALA  14  -9.887   6.245   8.649
   79   1HB   ALA  14           HB1      ALA  14  -8.325   5.355  10.352
   80   2HB   ALA  14           HB2      ALA  14  -9.274   6.149  11.627
   81   3HB   ALA  14           HB3      ALA  14 -10.003   4.860  10.655
   82    H    ASN  15           H        ASN  15 -10.633   9.058  10.615
   83    HA   ASN  15           HA       ASN  15 -13.437   8.322  11.004
   84   1HB   ASN  15           HB2      ASN  15 -12.431  10.029  12.447
   85   2HB   ASN  15           HB3      ASN  15 -12.123  11.086  11.079
   86    HD2  ASN  15           HD2      ASN  15 -14.816   9.557  12.914
   87    HD2  ASN  15           HD2      ASN  15 -15.930  10.835  12.407
   88    H    SER  16           H        SER  16 -11.566   9.533   8.381
   89    HA   SER  16           HA       SER  16 -12.151   8.716   6.246
   90   1HB   SER  16           HB2      SER  16 -14.846  10.087   6.445
   91   2HB   SER  16           HB3      SER  16 -14.207   9.156   5.078
   92    HG   SER  16           HG       SER  16 -14.822   8.295   7.678
   93    H    ARG  17           H        ARG  17 -10.468  10.494   6.807
   94    HA   ARG  17           HA       ARG  17 -11.148  12.968   5.163
   95   1HB   ARG  17           HB2      ARG  17  -9.480  13.452   7.593
   96   2HB   ARG  17           HB3      ARG  17 -10.530  14.540   6.746
   97   1HG   ARG  17           HG2      ARG  17 -11.424  12.326   8.656
   98   2HG   ARG  17           HG3      ARG  17 -11.229  14.017   9.057
   99   1HD   ARG  17           HD2      ARG  17 -13.372  12.787   7.301
  100   2HD   ARG  17           HD3      ARG  17 -13.543  13.578   8.842
  101    HE   ARG  17           HE       ARG  17 -13.111  15.700   7.858
  102    HH1  ARG  17           HH1      ARG  17 -13.565  17.134   6.230
  103    HH1  ARG  17           HH1      ARG  17 -13.874  16.562   4.619
  104    HH2  ARG  17           HH2      ARG  17 -13.872  14.401   4.137
  105    HH2  ARG  17           HH2      ARG  17 -13.456  13.207   5.333
  106    H    CYS  18           H        CYS  18  -9.765  13.914   3.735
  107    HA   CYS  18           HA       CYS  18  -6.959  12.868   3.930
  108   1HB   CYS  18           HB2      CYS  18  -6.544  13.038   1.846
  109   2HB   CYS  18           HB3      CYS  18  -8.179  12.431   1.801
  110    H    ILE  19           H        ILE  19  -5.441  14.012   4.710
  111    HA   ILE  19           HA       ILE  19  -5.476  16.967   4.416
  112    HB   ILE  19           HB       ILE  19  -4.554  17.050   6.825
  113    HG2  ILE  19           HG2      ILE  19  -7.523  16.616   6.372
  114    HG2  ILE  19           HG2      ILE  19  -6.786  17.392   7.787
  115    HG2  ILE  19           HG2      ILE  19  -6.617  18.128   6.183
  116    HG1  ILE  19           HG1      ILE  19  -4.554  14.439   6.943
  117    HG1  ILE  19           HG1      ILE  19  -4.845  15.420   8.358
  118    HD1  ILE  19           HD1      ILE  19  -6.313  13.444   8.231
  119    HD1  ILE  19           HD1      ILE  19  -7.212  14.962   8.331
  120    HD1  ILE  19           HD1      ILE  19  -7.079  14.104   6.780
  121    H    GLN  20           H        GLN  20  -3.300  17.855   5.093
  122    HA   GLN  20           HA       GLN  20  -1.357  16.322   3.639
  123   1HB   GLN  20           HB2      GLN  20  -0.037  18.430   3.656
  124   2HB   GLN  20           HB3      GLN  20  -1.666  18.650   3.038
  125   1HG   GLN  20           HG2      GLN  20  -0.965  19.257   5.947
  126   2HG   GLN  20           HG3      GLN  20  -0.708  20.429   4.654
  127    HE2  GLN  20           HE2      GLN  20  -3.087  19.114   6.853
  128    HE2  GLN  20           HE2      GLN  20  -4.428  19.977   6.088
  129    H    GLU  21           H        GLU  21   0.677  15.892   4.121
  130    HA   GLU  21           HA       GLU  21   1.177  14.371   6.384
  131   1HB   GLU  21           HB2      GLU  21   2.271  13.977   4.340
  132   2HB   GLU  21           HB3      GLU  21   3.002  15.583   4.281
  133   1HG   GLU  21           HG2      GLU  21   4.604  15.063   5.941
  134   2HG   GLU  21           HG3      GLU  21   3.735  13.635   6.486
  135    H    ARG  22           H        ARG  22   1.684  17.872   6.382
  136    HA   ARG  22           HA       ARG  22   3.456  18.112   8.637
  137   1HB   ARG  22           HB2      ARG  22   2.889  20.180   7.813
  138   2HB   ARG  22           HB3      ARG  22   1.191  19.769   7.581
  139   1HG   ARG  22           HG2      ARG  22   0.857  19.727  10.030
  140   2HG   ARG  22           HG3      ARG  22   2.555  20.190  10.286
  141   1HD   ARG  22           HD2      ARG  22   2.120  22.377   9.686
  142   2HD   ARG  22           HD3      ARG  22   0.798  21.910   8.627
  143    HE   ARG  22           HE       ARG  22  -0.428  22.794  10.418
  144    HH1  ARG  22           HH1      ARG  22  -1.886  22.325  12.123
  145    HH1  ARG  22           HH1      ARG  22  -1.332  21.224  13.366
  146    HH2  ARG  22           HH2      ARG  22   0.239  19.894  12.943
  147    HH2  ARG  22           HH2      ARG  22   1.599  20.342  11.972
  148    H    TRP  23           H        TRP  23   0.143  16.858   8.415
  149    HA   TRP  23           HA       TRP  23  -0.319  17.068  11.255
  150   1HB   TRP  23           HB2      TRP  23  -1.978  16.017   8.931
  151   2HB   TRP  23           HB3      TRP  23  -2.546  16.309  10.553
  152    HD1  TRP  23           HD1      TRP  23  -0.507  18.908   8.558
  153    HE1  TRP  23           HE1      TRP  23  -1.803  21.084   8.408
  154    HE3  TRP  23           HE3      TRP  23  -5.054  17.215  10.000
  155    HZ2  TRP  23           HZ2      TRP  23  -4.448  22.018   8.933
  156    HZ3  TRP  23           HZ3      TRP  23  -6.988  18.749  10.121
  157    HH2  TRP  23           HH2      TRP  23  -6.701  21.169   9.605
  158    H    LYS  24           H        LYS  24   1.466  14.777   9.393
  159    HA   LYS  24           HA       LYS  24   0.780  12.461  10.990
  160   1HB   LYS  24           HB2      LYS  24   2.987  13.125   8.944
  161   2HB   LYS  24           HB3      LYS  24   2.784  11.567   9.714
  162   1HG   LYS  24           HG2      LYS  24   0.518  11.357   8.716
  163   2HG   LYS  24           HG3      LYS  24   0.703  12.914   7.982
  164   1HD   LYS  24           HD2      LYS  24   1.135  10.737   6.555
  165   2HD   LYS  24           HD3      LYS  24   2.122  12.162   6.319
  166   1HE   LYS  24           HE2      LYS  24   3.886  11.146   7.765
  167   2HE   LYS  24           HE3      LYS  24   2.878   9.693   7.933
  168   1HZ   LYS  24           HZ1      LYS  24   4.494   9.456   6.131
  169   2HZ   LYS  24           HZ2      LYS  24   2.973   9.515   5.470
  170   3HZ   LYS  24           HZ3      LYS  24   3.958  10.824   5.406
  171    H    CYS  25           H        CYS  25   1.280  12.611  13.040
  172    HA   CYS  25           HA       CYS  25   2.252  13.267  14.938
  173   1HB   CYS  25           HB2      CYS  25   4.597  12.735  15.358
  174   2HB   CYS  25           HB3      CYS  25   3.567  11.421  14.838
  175    H    ASP  26           H        ASP  26   1.539  15.376  13.885
  176    HA   ASP  26           HA       ASP  26   3.621  17.251  14.895
  177   1HB   ASP  26           HB2      ASP  26   1.603  18.843  14.925
  178   2HB   ASP  26           HB3      ASP  26   2.220  18.369  13.335
  179    H    GLY  27           H        GLY  27   0.902  15.183  15.892
  180   1HA   GLY  27           HA1      GLY  27   0.401  14.656  18.174
  181   2HA   GLY  27           HA2      GLY  27   1.168  16.149  18.711
  182    H    ASP  28           H        ASP  28  -0.754  16.717  15.883
  183    HA   ASP  28           HA       ASP  28  -2.971  17.846  17.550
  184   1HB   ASP  28           HB2      ASP  28  -2.435  18.040  14.551
  185   2HB   ASP  28           HB3      ASP  28  -3.876  18.617  15.358
  186    H    ASN  29           H        ASN  29  -4.663  16.616  18.048
  187    HA   ASN  29           HA       ASN  29  -4.951  13.940  17.365
  188   1HB   ASN  29           HB2      ASN  29  -7.298  15.865  17.683
  189   2HB   ASN  29           HB3      ASN  29  -7.269  14.159  17.954
  190    HD2  ASN  29           HD2      ASN  29  -6.298  13.224  19.800
  191    HD2  ASN  29           HD2      ASN  29  -5.911  14.269  21.203
  192    H    ASP  30           H        ASP  30  -5.568  16.543  15.498
  193    HA   ASP  30           HA       ASP  30  -6.979  17.337  13.875
  194   1HB   ASP  30           HB2      ASP  30  -5.424  17.479  12.302
  195   2HB   ASP  30           HB3      ASP  30  -4.431  16.829  13.568
  196    H    CYS  31           H        CYS  31  -6.525  13.981  13.525
  197    HA   CYS  31           HA       CYS  31  -8.753  13.533  11.824
  198   1HB   CYS  31           HB2      CYS  31  -6.726  12.159  11.760
  199   2HB   CYS  31           HB3      CYS  31  -6.889  11.720  13.439
  200    H    LEU  32           H        LEU  32  -8.454  13.816  15.184
  201    HA   LEU  32           HA       LEU  32  -9.954  13.819  16.903
  202   1HB   LEU  32           HB2      LEU  32 -12.005  14.544  16.480
  203   2HB   LEU  32           HB3      LEU  32 -11.533  14.511  14.798
  204    HG   LEU  32           HG       LEU  32 -12.508  11.998  14.900
  205    HD1  LEU  32           HD1      LEU  32 -14.165  13.498  16.976
  206    HD1  LEU  32           HD1      LEU  32 -14.515  11.896  16.288
  207    HD1  LEU  32           HD1      LEU  32 -13.105  12.120  17.330
  208    HD2  LEU  32           HD2      LEU  32 -13.254  13.745  13.374
  209    HD2  LEU  32           HD2      LEU  32 -14.638  12.904  14.081
  210    HD2  LEU  32           HD2      LEU  32 -14.189  14.521  14.676
  211    H    ASP  33           H        ASP  33  -9.989  11.127  14.741
  212    HA   ASP  33           HA       ASP  33 -10.695   9.068  16.712
  213   1HB   ASP  33           HB2      ASP  33 -11.361   8.284  14.709
  214   2HB   ASP  33           HB3      ASP  33 -10.338   9.356  13.796
  215    H    ASN  34           H        ASN  34  -7.987  10.919  15.988
  216    HA   ASN  34           HA       ASN  34  -5.775  10.799  16.000
  217   1HB   ASN  34           HB2      ASN  34  -6.400   8.967  18.370
  218   2HB   ASN  34           HB3      ASN  34  -4.763   9.073  17.788
  219    HD2  ASN  34           HD2      ASN  34  -3.612  10.143  19.274
  220    HD2  ASN  34           HD2      ASN  34  -4.166  11.661  19.997
  221    H    SER  35           H        SER  35  -5.512  10.038  13.881
  222    HA   SER  35           HA       SER  35  -5.091   7.101  13.640
  223   1HB   SER  35           HB2      SER  35  -5.799   9.279  11.666
  224   2HB   SER  35           HB3      SER  35  -4.964   7.828  11.129
  225    HG   SER  35           HG       SER  35  -7.446   7.656  12.642
  226    H    ASP  36           H        ASP  36  -3.832  10.085  12.483
  227    HA   ASP  36           HA       ASP  36  -1.088   9.782  12.101
  228   1HB   ASP  36           HB2      ASP  36  -1.284  12.220  13.002
  229   2HB   ASP  36           HB3      ASP  36  -2.046  11.835  11.481
  230    H    GLU  37           H        GLU  37  -2.801  10.922  14.921
  231    HA   GLU  37           HA       GLU  37  -0.500  10.384  16.547
  232   1HB   GLU  37           HB2      GLU  37  -2.998  11.710  17.478
  233   2HB   GLU  37           HB3      GLU  37  -1.315  11.891  18.047
  234   1HG   GLU  37           HG2      GLU  37  -2.438  12.730  15.415
  235   2HG   GLU  37           HG3      GLU  37  -2.169  13.791  16.791
  236    H    ALA  38           H        ALA  38  -2.309   7.958  15.599
  237    HA   ALA  38           HA       ALA  38  -1.796   6.753  18.233
  238   1HB   ALA  38           HB1      ALA  38  -3.064   4.845  17.115
  239   2HB   ALA  38           HB2      ALA  38  -4.058   6.289  17.422
  240   3HB   ALA  38           HB3      ALA  38  -3.436   5.977  15.783
  241    HA   PRO  39           HA       PRO  39   1.928   5.570  16.005
  242   1HB   PRO  39           HB2      PRO  39   2.887   3.535  17.562
  243   2HB   PRO  39           HB3      PRO  39   2.796   5.231  18.109
  244   1HG   PRO  39           HG2      PRO  39   0.770   3.022  18.604
  245   2HG   PRO  39           HG3      PRO  39   1.548   4.097  19.815
  246   1HD   PRO  39           HD2      PRO  39  -0.898   4.662  18.801
  247   2HD   PRO  39           HD3      PRO  39   0.290   5.967  19.095
  248    H    ALA  40           H        ALA  40  -0.628   4.363  15.146
  249    HA   ALA  40           HA       ALA  40   0.232   1.972  13.609
  250   1HB   ALA  40           HB1      ALA  40  -2.155   2.078  14.287
  251   2HB   ALA  40           HB2      ALA  40  -2.306   3.681  13.529
  252   3HB   ALA  40           HB3      ALA  40  -1.984   2.248  12.529
  253    H    LEU  41           H        LEU  41   0.113   5.481  13.687
  254    HA   LEU  41           HA       LEU  41   1.328   5.606  10.990
  255   1HB   LEU  41           HB2      LEU  41  -0.976   6.610  11.301
  256   2HB   LEU  41           HB3      LEU  41  -0.259   7.819  12.347
  257    HG   LEU  41           HG       LEU  41   0.902   7.289   9.598
  258    HD1  LEU  41           HD1      LEU  41  -0.511   8.947   8.567
  259    HD1  LEU  41           HD1      LEU  41  -1.506   7.644   9.233
  260    HD1  LEU  41           HD1      LEU  41  -1.397   9.197  10.081
  261    HD2  LEU  41           HD2      LEU  41   1.490   9.655   9.645
  262    HD2  LEU  41           HD2      LEU  41   0.889   9.781  11.314
  263    HD2  LEU  41           HD2      LEU  41   2.269   8.740  10.896
  264    H    CYS  42           H        CYS  42   1.229   8.150  13.690
  265    HA   CYS  42           HA       CYS  42   4.074   7.405  14.096
  266   1HB   CYS  42           HB2      CYS  42   4.092   8.888  12.171
  267   2HB   CYS  42           HB3      CYS  42   3.230  10.114  13.086
  268    H    HIS  43           H        HIS  43   1.449   9.603  15.321
  269    HA   HIS  43           HA       HIS  43   1.214  10.572  17.393
  270   1HB   HIS  43           HB2      HIS  43   0.473   8.391  17.862
  271   2HB   HIS  43           HB3      HIS  43   2.074   7.716  17.829
  272    HD1  HIS  43           HD1      HIS  43   3.664   8.437  19.948
  273    HD2  HIS  43           HD2      HIS  43  -0.506   8.597  20.311
  274    HE1  HIS  43           HE1      HIS  43   3.118   7.953  22.447
  275    H    GLN  44           H        GLN  44   2.391  12.338  17.333
  276    HA   GLN  44           HA       GLN  44   5.202  12.435  17.925
  277   1HB   GLN  44           HB2      GLN  44   3.823  14.235  16.804
  278   2HB   GLN  44           HB3      GLN  44   3.158  14.642  18.374
  279   1HG   GLN  44           HG2      GLN  44   4.974  16.173  17.709
  280   2HG   GLN  44           HG3      GLN  44   5.344  15.324  19.203
  281    HE2  GLN  44           HE2      GLN  44   5.897  14.840  15.571
  282    HE2  GLN  44           HE2      GLN  44   7.560  14.309  15.905
  283    H    HIS  45           H        HIS  45   2.412  12.924  20.069
  284    HA   HIS  45           HA       HIS  45   2.214  13.186  22.359
  285   1HB   HIS  45           HB2      HIS  45   2.591  10.764  21.729
  286   2HB   HIS  45           HB3      HIS  45   4.229  10.912  22.353
  287    HD1  HIS  45           HD1      HIS  45   1.170   9.518  23.355
  288    HD2  HIS  45           HD2      HIS  45   3.990  12.047  25.201
  289    HE1  HIS  45           HE1      HIS  45   0.810   9.316  25.903
  Start of MODEL   18
    1    H    GLY   1           H        GLY   1   4.248   2.682  -4.055
    2   1HA   GLY   1           HA1      GLY   1   2.007   1.975  -3.579
    3   2HA   GLY   1           HA2      GLY   1   2.986   1.096  -2.398
    4    H    SER   2           H        SER   2   3.184   4.255  -1.501
    5    HA   SER   2           HA       SER   2   1.504   4.100   0.813
    6   1HB   SER   2           HB2      SER   2   2.023   6.510   1.045
    7   2HB   SER   2           HB3      SER   2   3.483   5.560   0.697
    8    HG   SER   2           HG       SER   2   1.940   6.660  -1.383
    9    HA   PRO   3           HA       PRO   3  -2.308   5.016  -1.470
   10   1HB   PRO   3           HB2      PRO   3  -4.064   5.316   0.629
   11   2HB   PRO   3           HB3      PRO   3  -3.488   3.744   0.000
   12   1HG   PRO   3           HG2      PRO   3  -2.425   5.303   2.371
   13   2HG   PRO   3           HG3      PRO   3  -2.822   3.557   2.277
   14   1HD   PRO   3           HD2      PRO   3  -0.279   4.468   2.003
   15   2HD   PRO   3           HD3      PRO   3  -0.869   3.090   1.022
   16    HA   PRO   4           HA       PRO   4  -1.302   9.378  -1.153
   17   1HB   PRO   4           HB2      PRO   4  -2.631  10.349  -3.374
   18   2HB   PRO   4           HB3      PRO   4  -1.148   9.354  -3.473
   19   1HG   PRO   4           HG2      PRO   4  -4.003   8.423  -3.783
   20   2HG   PRO   4           HG3      PRO   4  -2.585   8.056  -4.815
   21   1HD   PRO   4           HD2      PRO   4  -3.431   6.340  -2.881
   22   2HD   PRO   4           HD3      PRO   4  -1.690   6.565  -3.225
   23    H    GLN   5           H        GLN   5  -4.713   8.793  -1.977
   24    HA   GLN   5           HA       GLN   5  -6.680   9.582  -1.296
   25   1HB   GLN   5           HB2      GLN   5  -5.173   9.885   1.312
   26   2HB   GLN   5           HB3      GLN   5  -6.941   9.949   1.163
   27   1HG   GLN   5           HG2      GLN   5  -5.155   7.562   0.474
   28   2HG   GLN   5           HG3      GLN   5  -6.170   7.717   1.895
   29    HE2  GLN   5           HE2      GLN   5  -8.452   7.266   1.750
   30    HE2  GLN   5           HE2      GLN   5  -9.080   6.662   0.213
   31    H    CYS   6           H        CYS   6  -4.225  11.910  -0.268
   32    HA   CYS   6           HA       CYS   6  -5.909  14.094  -1.435
   33   1HB   CYS   6           HB2      CYS   6  -4.139  14.057   0.909
   34   2HB   CYS   6           HB3      CYS   6  -3.628  15.267  -0.247
   35    H    GLN   7           H        GLN   7  -2.415  13.273  -1.035
   36    HA   GLN   7           HA       GLN   7  -1.974  13.142  -3.926
   37   1HB   GLN   7           HB2      GLN   7  -0.345  15.015  -2.135
   38   2HB   GLN   7           HB3      GLN   7  -0.115  14.735  -3.852
   39   1HG   GLN   7           HG2      GLN   7  -2.552  15.623  -4.124
   40   2HG   GLN   7           HG3      GLN   7  -2.341  16.260  -2.490
   41    HE2  GLN   7           HE2      GLN   7  -2.637  17.686  -5.195
   42    HE2  GLN   7           HE2      GLN   7  -1.172  18.684  -5.206
   43    HA   PRO   8           HA       PRO   8   0.750   9.947  -2.429
   44   1HB   PRO   8           HB2      PRO   8   2.799   9.779  -4.229
   45   2HB   PRO   8           HB3      PRO   8   1.108   9.356  -4.616
   46   1HG   PRO   8           HG2      PRO   8   2.512  11.997  -5.136
   47   2HG   PRO   8           HG3      PRO   8   1.572  11.000  -6.294
   48   1HD   PRO   8           HD2      PRO   8   0.445  13.091  -5.023
   49   2HD   PRO   8           HD3      PRO   8  -0.483  11.586  -5.268
   50    H    GLY   9           H        GLY   9   1.013  11.354  -0.612
   51   1HA   GLY   9           HA1      GLY   9   3.490  11.257   0.671
   52   2HA   GLY   9           HA2      GLY   9   3.527  12.801  -0.174
   53    H    GLU  10           H        GLU  10   0.457  11.614   1.144
   54    HA   GLU  10           HA       GLU  10   0.540  13.830   3.128
   55   1HB   GLU  10           HB2      GLU  10  -1.565  13.039   1.083
   56   2HB   GLU  10           HB3      GLU  10  -1.872  14.222   2.340
   57   1HG   GLU  10           HG2      GLU  10   0.403  14.536   0.321
   58   2HG   GLU  10           HG3      GLU  10  -1.227  15.103   0.069
   59    H    PHE  11           H        PHE  11  -2.047  13.562   4.353
   60    HA   PHE  11           HA       PHE  11  -1.776  11.011   5.654
   61   1HB   PHE  11           HB2      PHE  11  -1.111  12.686   7.081
   62   2HB   PHE  11           HB3      PHE  11  -2.436  13.737   6.694
   63    HD1  PHE  11           HD1      PHE  11  -2.719  10.040   7.533
   64    HD2  PHE  11           HD2      PHE  11  -3.271  14.097   8.923
   65    HE1  PHE  11           HE1      PHE  11  -4.194   9.235   9.324
   66    HE2  PHE  11           HE2      PHE  11  -4.743  13.243  10.703
   67    HZ   PHE  11           HZ       PHE  11  -5.248  10.869  10.888
   68    H    ALA  12           H        ALA  12  -3.184   9.620   5.469
   69    HA   ALA  12           HA       ALA  12  -6.002  10.163   4.769
   70   1HB   ALA  12           HB1      ALA  12  -4.691   8.550   3.400
   71   2HB   ALA  12           HB2      ALA  12  -4.399   7.568   4.844
   72   3HB   ALA  12           HB3      ALA  12  -6.057   7.769   4.243
   73    H    CYS  13           H        CYS  13  -7.186  10.543   6.490
   74    HA   CYS  13           HA       CYS  13  -6.751   9.427   9.190
   75   1HB   CYS  13           HB2      CYS  13  -7.499  11.726   8.859
   76   2HB   CYS  13           HB3      CYS  13  -8.847  11.140   7.895
   77    H    ALA  14           H        ALA  14  -7.648   7.499   9.832
   78    HA   ALA  14           HA       ALA  14  -9.377   5.903   8.318
   79   1HB   ALA  14           HB1      ALA  14  -7.899   5.145  10.158
   80   2HB   ALA  14           HB2      ALA  14  -8.982   5.926  11.333
   81   3HB   ALA  14           HB3      ALA  14  -9.570   4.575  10.351
   82    H    ASN  15           H        ASN  15 -10.379   8.733  10.097
   83    HA   ASN  15           HA       ASN  15 -13.168   7.954  10.404
   84   1HB   ASN  15           HB2      ASN  15 -12.132   9.901  11.563
   85   2HB   ASN  15           HB3      ASN  15 -11.961  10.737  10.033
   86    HD2  ASN  15           HD2      ASN  15 -14.978   9.319   9.631
   87    HD2  ASN  15           HD2      ASN  15 -15.891  10.592  10.453
   88    H    SER  16           H        SER  16 -11.201   9.185   7.802
   89    HA   SER  16           HA       SER  16 -11.574   8.255   5.622
   90   1HB   SER  16           HB2      SER  16 -14.343   9.490   5.661
   91   2HB   SER  16           HB3      SER  16 -13.563   8.667   4.297
   92    HG   SER  16           HG       SER  16 -14.268   7.621   6.809
   93    H    ARG  17           H        ARG  17 -10.059  10.185   6.436
   94    HA   ARG  17           HA       ARG  17 -10.754  12.593   4.731
   95   1HB   ARG  17           HB2      ARG  17  -9.160  13.045   7.216
   96   2HB   ARG  17           HB3      ARG  17 -10.161  14.147   6.306
   97   1HG   ARG  17           HG2      ARG  17 -12.199  13.073   7.123
   98   2HG   ARG  17           HG3      ARG  17 -11.279  11.818   7.951
   99   1HD   ARG  17           HD2      ARG  17 -10.183  13.273   9.365
  100   2HD   ARG  17           HD3      ARG  17 -10.815  14.737   8.604
  101    HE   ARG  17           HE       ARG  17 -12.191  13.001  10.545
  102    HH1  ARG  17           HH1      ARG  17 -14.294  13.326  11.028
  103    HH1  ARG  17           HH1      ARG  17 -15.140  14.767  10.477
  104    HH2  ARG  17           HH2      ARG  17 -14.198  16.031   8.859
  105    HH2  ARG  17           HH2      ARG  17 -12.584  15.660   8.308
  106    H    CYS  18           H        CYS  18  -9.457  13.627   3.413
  107    HA   CYS  18           HA       CYS  18  -6.580  12.894   3.565
  108   1HB   CYS  18           HB2      CYS  18  -6.212  13.141   1.509
  109   2HB   CYS  18           HB3      CYS  18  -7.867  12.657   1.303
  110    H    ILE  19           H        ILE  19  -5.355  14.103   4.616
  111    HA   ILE  19           HA       ILE  19  -5.451  17.068   4.385
  112    HB   ILE  19           HB       ILE  19  -4.708  17.091   6.862
  113    HG2  ILE  19           HG2      ILE  19  -7.049  17.265   7.694
  114    HG2  ILE  19           HG2      ILE  19  -6.769  18.139   6.175
  115    HG2  ILE  19           HG2      ILE  19  -7.630  16.587   6.164
  116    HG1  ILE  19           HG1      ILE  19  -4.636  14.474   6.878
  117    HG1  ILE  19           HG1      ILE  19  -5.063  15.383   8.294
  118    HD1  ILE  19           HD1      ILE  19  -7.403  14.842   8.081
  119    HD1  ILE  19           HD1      ILE  19  -7.112  14.038   6.519
  120    HD1  ILE  19           HD1      ILE  19  -6.416  13.375   8.002
  121    H    GLN  20           H        GLN  20  -3.277  17.836   5.338
  122    HA   GLN  20           HA       GLN  20  -1.314  16.332   3.859
  123   1HB   GLN  20           HB2      GLN  20  -0.047  18.487   3.932
  124   2HB   GLN  20           HB3      GLN  20  -1.690  18.676   3.306
  125   1HG   GLN  20           HG2      GLN  20  -2.458  19.596   5.454
  126   2HG   GLN  20           HG3      GLN  20  -0.882  19.277   6.176
  127    HE2  GLN  20           HE2      GLN  20  -0.746  20.597   2.924
  128    HE2  GLN  20           HE2      GLN  20  -0.351  22.220   3.494
  129    H    GLU  21           H        GLU  21   0.721  15.897   4.434
  130    HA   GLU  21           HA       GLU  21   1.006  14.462   6.828
  131   1HB   GLU  21           HB2      GLU  21   2.069  13.848   4.804
  132   2HB   GLU  21           HB3      GLU  21   2.994  15.347   4.707
  133   1HG   GLU  21           HG2      GLU  21   4.531  14.680   6.303
  134   2HG   GLU  21           HG3      GLU  21   3.446  13.561   7.087
  135    H    ARG  22           H        ARG  22   1.606  17.780   6.494
  136    HA   ARG  22           HA       ARG  22   3.349  18.317   8.744
  137   1HB   ARG  22           HB2      ARG  22   2.860  20.149   7.417
  138   2HB   ARG  22           HB3      ARG  22   1.146  19.775   7.323
  139   1HG   ARG  22           HG2      ARG  22   0.843  20.439   9.696
  140   2HG   ARG  22           HG3      ARG  22   2.571  20.869   9.793
  141   1HD   ARG  22           HD2      ARG  22   2.321  22.710   8.371
  142   2HD   ARG  22           HD3      ARG  22   0.925  22.010   7.559
  143    HE   ARG  22           HE       ARG  22   0.808  23.005  10.374
  144    HH1  ARG  22           HH1      ARG  22  -1.007  24.070  11.029
  145    HH1  ARG  22           HH1      ARG  22  -2.274  24.427   9.902
  146    HH2  ARG  22           HH2      ARG  22  -2.096  23.898   7.768
  147    HH2  ARG  22           HH2      ARG  22  -0.773  22.944   7.157
  148    H    TRP  23           H        TRP  23   0.046  17.039   8.653
  149    HA   TRP  23           HA       TRP  23  -0.404  17.533  11.498
  150   1HB   TRP  23           HB2      TRP  23  -2.181  16.353   9.347
  151   2HB   TRP  23           HB3      TRP  23  -2.654  16.992  10.912
  152    HD1  TRP  23           HD1      TRP  23  -0.521  19.215   8.663
  153    HE1  TRP  23           HE1      TRP  23  -1.841  21.176   7.790
  154    HE3  TRP  23           HE3      TRP  23  -5.182  17.617   9.865
  155    HZ2  TRP  23           HZ2      TRP  23  -4.563  22.048   7.738
  156    HZ3  TRP  23           HZ3      TRP  23  -7.147  19.040   9.413
  157    HH2  TRP  23           HH2      TRP  23  -6.860  21.267   8.341
  158    H    LYS  24           H        LYS  24   1.290  15.065   9.798
  159    HA   LYS  24           HA       LYS  24   0.389  12.859  11.468
  160   1HB   LYS  24           HB2      LYS  24   2.681  13.274   9.479
  161   2HB   LYS  24           HB3      LYS  24   2.345  11.761  10.293
  162   1HG   LYS  24           HG2      LYS  24   0.119  11.616   9.195
  163   2HG   LYS  24           HG3      LYS  24   0.378  13.197   8.496
  164   1HD   LYS  24           HD2      LYS  24   1.475  12.386   6.760
  165   2HD   LYS  24           HD3      LYS  24   2.643  11.552   7.782
  166   1HE   LYS  24           HE2      LYS  24   1.369   9.556   7.757
  167   2HE   LYS  24           HE3      LYS  24  -0.041  10.363   7.034
  168   1HZ   LYS  24           HZ1      LYS  24   1.716   9.099   5.523
  169   2HZ   LYS  24           HZ2      LYS  24   0.987  10.482   4.994
  170   3HZ   LYS  24           HZ3      LYS  24   2.498  10.568   5.593
  171    H    CYS  25           H        CYS  25   1.044  12.721  13.456
  172    HA   CYS  25           HA       CYS  25   2.010  13.157  15.412
  173   1HB   CYS  25           HB2      CYS  25   4.504  12.966  15.605
  174   2HB   CYS  25           HB3      CYS  25   3.510  11.586  15.225
  175    H    ASP  26           H        ASP  26   1.037  15.448  14.551
  176    HA   ASP  26           HA       ASP  26   3.114  17.435  15.350
  177   1HB   ASP  26           HB2      ASP  26   1.217  19.060  15.014
  178   2HB   ASP  26           HB3      ASP  26   1.582  18.135  13.542
  179    H    GLY  27           H        GLY  27   0.759  15.327  16.803
  180   1HA   GLY  27           HA1      GLY  27   0.509  15.240  19.156
  181   2HA   GLY  27           HA2      GLY  27   0.649  16.989  19.276
  182    H    ASP  28           H        ASP  28  -1.519  16.874  16.690
  183    HA   ASP  28           HA       ASP  28  -3.762  16.511  18.611
  184   1HB   ASP  28           HB2      ASP  28  -3.211  18.866  17.955
  185   2HB   ASP  28           HB3      ASP  28  -3.838  18.478  16.351
  186    H    ASN  29           H        ASN  29  -5.637  15.915  18.140
  187    HA   ASN  29           HA       ASN  29  -6.113  13.808  16.193
  188   1HB   ASN  29           HB2      ASN  29  -8.518  14.803  17.581
  189   2HB   ASN  29           HB3      ASN  29  -7.854  13.220  17.445
  190    HD2  ASN  29           HD2      ASN  29  -6.856  16.360  19.305
  191    HD2  ASN  29           HD2      ASN  29  -6.690  15.348  20.738
  192    H    ASP  30           H        ASP  30  -5.395  15.668  14.645
  193    HA   ASP  30           HA       ASP  30  -7.238  17.552  13.587
  194   1HB   ASP  30           HB2      ASP  30  -5.587  17.771  11.995
  195   2HB   ASP  30           HB3      ASP  30  -4.679  17.078  13.332
  196    H    CYS  31           H        CYS  31  -6.778  14.165  13.198
  197    HA   CYS  31           HA       CYS  31  -8.789  13.612  11.264
  198   1HB   CYS  31           HB2      CYS  31  -6.796  12.345  11.566
  199   2HB   CYS  31           HB3      CYS  31  -7.156  12.001  13.249
  200    H    LEU  32           H        LEU  32  -9.223  14.375  14.549
  201    HA   LEU  32           HA       LEU  32 -10.750  14.064  16.139
  202   1HB   LEU  32           HB2      LEU  32 -12.542  14.968  15.195
  203   2HB   LEU  32           HB3      LEU  32 -12.301  14.144  13.681
  204    HG   LEU  32           HG       LEU  32 -13.396  12.072  14.703
  205    HD1  LEU  32           HD1      LEU  32 -14.984  12.504  16.562
  206    HD1  LEU  32           HD1      LEU  32 -13.348  12.808  17.140
  207    HD1  LEU  32           HD1      LEU  32 -14.387  14.171  16.722
  208    HD2  LEU  32           HD2      LEU  32 -15.643  12.966  14.271
  209    HD2  LEU  32           HD2      LEU  32 -15.038  14.634  14.433
  210    HD2  LEU  32           HD2      LEU  32 -14.485  13.606  13.101
  211    H    ASP  33           H        ASP  33 -10.547  11.310  13.976
  212    HA   ASP  33           HA       ASP  33 -11.447   9.270  15.862
  213   1HB   ASP  33           HB2      ASP  33 -11.793   8.525  13.757
  214   2HB   ASP  33           HB3      ASP  33 -10.581   9.558  13.063
  215    H    ASN  34           H        ASN  34  -8.669  11.072  15.406
  216    HA   ASN  34           HA       ASN  34  -6.498  11.013  15.875
  217   1HB   ASN  34           HB2      ASN  34  -7.507  11.001  18.223
  218   2HB   ASN  34           HB3      ASN  34  -7.215   9.266  18.268
  219    HD2  ASN  34           HD2      ASN  34  -5.981  11.998  19.541
  220    HD2  ASN  34           HD2      ASN  34  -4.265  11.528  19.444
  221    H    SER  35           H        SER  35  -6.098   9.992  13.920
  222    HA   SER  35           HA       SER  35  -5.301   7.166  14.128
  223   1HB   SER  35           HB2      SER  35  -5.621   9.086  11.801
  224   2HB   SER  35           HB3      SER  35  -4.709   7.587  11.659
  225    HG   SER  35           HG       SER  35  -7.495   7.616  12.542
  226    H    ASP  36           H        ASP  36  -4.075  10.166  12.956
  227    HA   ASP  36           HA       ASP  36  -1.493   9.906  12.497
  228   1HB   ASP  36           HB2      ASP  36  -1.642  12.452  13.370
  229   2HB   ASP  36           HB3      ASP  36  -2.329  11.921  11.864
  230    H    GLU  37           H        GLU  37  -2.663  11.286  15.382
  231    HA   GLU  37           HA       GLU  37  -0.177  11.231  16.755
  232   1HB   GLU  37           HB2      GLU  37  -2.906  11.808  17.927
  233   2HB   GLU  37           HB3      GLU  37  -1.338  12.418  18.464
  234   1HG   GLU  37           HG2      GLU  37  -2.740  12.981  15.824
  235   2HG   GLU  37           HG3      GLU  37  -2.558  14.068  17.187
  236    H    ALA  38           H        ALA  38  -2.040   8.465  16.293
  237    HA   ALA  38           HA       ALA  38  -0.887   7.286  18.716
  238   1HB   ALA  38           HB1      ALA  38  -3.377   7.214  18.462
  239   2HB   ALA  38           HB2      ALA  38  -3.176   6.482  16.865
  240   3HB   ALA  38           HB3      ALA  38  -2.655   5.588  18.312
  241    HA   PRO  39           HA       PRO  39   2.006   5.567  15.849
  242   1HB   PRO  39           HB2      PRO  39   2.999   3.419  17.207
  243   2HB   PRO  39           HB3      PRO  39   3.184   5.101  17.777
  244   1HG   PRO  39           HG2      PRO  39   1.046   3.100  18.595
  245   2HG   PRO  39           HG3      PRO  39   2.137   4.044  19.665
  246   1HD   PRO  39           HD2      PRO  39  -0.371   4.906  19.098
  247   2HD   PRO  39           HD3      PRO  39   0.990   6.059  19.206
  248    H    ALA  40           H        ALA  40  -0.821   4.644  15.533
  249    HA   ALA  40           HA       ALA  40  -0.513   2.228  13.835
  250   1HB   ALA  40           HB1      ALA  40  -2.723   2.621  14.892
  251   2HB   ALA  40           HB2      ALA  40  -2.788   4.248  14.172
  252   3HB   ALA  40           HB3      ALA  40  -2.817   2.808  13.129
  253    H    LEU  41           H        LEU  41  -0.171   5.724  13.936
  254    HA   LEU  41           HA       LEU  41   0.749   5.728  11.124
  255   1HB   LEU  41           HB2      LEU  41  -1.427   6.915  11.580
  256   2HB   LEU  41           HB3      LEU  41  -0.560   8.044  12.605
  257    HG   LEU  41           HG       LEU  41   0.597   7.556   9.872
  258    HD1  LEU  41           HD1      LEU  41  -0.952   9.140   8.793
  259    HD1  LEU  41           HD1      LEU  41  -1.784   7.666   9.328
  260    HD1  LEU  41           HD1      LEU  41  -1.927   9.163  10.277
  261    HD2  LEU  41           HD2      LEU  41   1.489   9.298  11.536
  262    HD2  LEU  41           HD2      LEU  41   1.256   9.755   9.876
  263    HD2  LEU  41           HD2      LEU  41   0.078  10.259  11.107
  264    H    CYS  42           H        CYS  42   1.044   8.276  13.820
  265    HA   CYS  42           HA       CYS  42   3.934   7.518  13.806
  266   1HB   CYS  42           HB2      CYS  42   3.576   9.354  12.216
  267   2HB   CYS  42           HB3      CYS  42   2.832  10.307  13.491
  268    H    HIS  43           H        HIS  43   1.657   9.724  15.567
  269    HA   HIS  43           HA       HIS  43   1.740  10.614  17.649
  270   1HB   HIS  43           HB2      HIS  43   1.204   8.257  18.227
  271   2HB   HIS  43           HB3      HIS  43   2.893   7.860  18.340
  272    HD1  HIS  43           HD1      HIS  43   2.588   7.023  20.787
  273    HD2  HIS  43           HD2      HIS  43   1.672  11.079  20.139
  274    HE1  HIS  43           HE1      HIS  43   2.350   8.087  23.093
  275    H    GLN  44           H        GLN  44   4.846   8.906  17.289
  276    HA   GLN  44           HA       GLN  44   6.958   9.292  17.864
  277   1HB   GLN  44           HB2      GLN  44   6.555  11.050  16.133
  278   2HB   GLN  44           HB3      GLN  44   6.405  12.240  17.431
  279   1HG   GLN  44           HG2      GLN  44   8.723  11.809  18.128
  280   2HG   GLN  44           HG3      GLN  44   8.843  10.450  17.002
  281    HE2  GLN  44           HE2      GLN  44   8.722  14.049  17.215
  282    HE2  GLN  44           HE2      GLN  44   9.291  14.206  15.545
  283    H    HIS  45           H        HIS  45   4.748  11.076  19.873
  284    HA   HIS  45           HA       HIS  45   4.753  11.674  22.060
  285   1HB   HIS  45           HB2      HIS  45   4.977   9.085  22.020
  286   2HB   HIS  45           HB3      HIS  45   6.626   9.349  22.571
  287    HD1  HIS  45           HD1      HIS  45   3.052  10.406  23.629
  288    HD2  HIS  45           HD2      HIS  45   6.838   9.433  25.204
  289    HE1  HIS  45           HE1      HIS  45   2.827  10.436  26.207
  Start of MODEL   19
    1    H    GLY   1           H        GLY   1   3.794  -1.444  -3.042
    2   1HA   GLY   1           HA1      GLY   1   2.726   0.536  -4.732
    3   2HA   GLY   1           HA2      GLY   1   1.387  -0.286  -3.910
    4    H    SER   2           H        SER   2   1.429   2.221  -3.256
    5    HA   SER   2           HA       SER   2   2.295   2.298  -0.459
    6   1HB   SER   2           HB2      SER   2   4.205   3.279  -1.710
    7   2HB   SER   2           HB3      SER   2   3.098   4.435  -2.482
    8    HG   SER   2           HG       SER   2   4.121   5.330  -0.647
    9    HA   PRO   3           HA       PRO   3  -1.738   4.304  -0.510
   10   1HB   PRO   3           HB2      PRO   3  -1.871   5.395   1.991
   11   2HB   PRO   3           HB3      PRO   3  -1.972   3.640   1.672
   12   1HG   PRO   3           HG2      PRO   3   0.466   5.236   2.517
   13   2HG   PRO   3           HG3      PRO   3  -0.145   3.697   3.201
   14   1HD   PRO   3           HD2      PRO   3   1.852   3.777   1.344
   15   2HD   PRO   3           HD3      PRO   3   0.649   2.456   1.365
   16    HA   PRO   4           HA       PRO   4  -0.018   8.322  -1.842
   17   1HB   PRO   4           HB2      PRO   4  -2.137   9.231  -3.341
   18   2HB   PRO   4           HB3      PRO   4  -1.025   7.947  -3.889
   19   1HG   PRO   4           HG2      PRO   4  -3.758   7.641  -2.616
   20   2HG   PRO   4           HG3      PRO   4  -3.112   6.824  -4.073
   21   1HD   PRO   4           HD2      PRO   4  -3.107   5.642  -1.610
   22   2HD   PRO   4           HD3      PRO   4  -1.795   5.368  -2.793
   23    H    GLN   5           H        GLN   5  -3.371   8.253  -0.702
   24    HA   GLN   5           HA       GLN   5  -4.555   9.436   0.834
   25   1HB   GLN   5           HB2      GLN   5  -1.823  10.152   1.926
   26   2HB   GLN   5           HB3      GLN   5  -3.355  10.384   2.769
   27   1HG   GLN   5           HG2      GLN   5  -3.685   7.858   2.624
   28   2HG   GLN   5           HG3      GLN   5  -2.059   7.751   1.958
   29    HE2  GLN   5           HE2      GLN   5  -3.861   7.783   4.962
   30    HE2  GLN   5           HE2      GLN   5  -2.387   7.888   5.918
   31    H    CYS   6           H        CYS   6  -5.728  11.103   0.013
   32    HA   CYS   6           HA       CYS   6  -6.457  13.101  -0.656
   33   1HB   CYS   6           HB2      CYS   6  -4.759  13.799   1.334
   34   2HB   CYS   6           HB3      CYS   6  -3.952  14.586   0.018
   35    H    GLN   7           H        GLN   7  -3.028  12.986  -1.408
   36    HA   GLN   7           HA       GLN   7  -3.376  13.379  -4.296
   37   1HB   GLN   7           HB2      GLN   7  -1.444  15.145  -2.741
   38   2HB   GLN   7           HB3      GLN   7  -2.016  15.308  -4.415
   39   1HG   GLN   7           HG2      GLN   7  -4.296  15.859  -3.537
   40   2HG   GLN   7           HG3      GLN   7  -3.609  15.908  -1.908
   41    HE2  GLN   7           HE2      GLN   7  -4.821  18.232  -2.715
   42    HE2  GLN   7           HE2      GLN   7  -3.540  19.371  -3.170
   43    HA   PRO   8           HA       PRO   8   0.279  10.683  -3.711
   44   1HB   PRO   8           HB2      PRO   8   2.439  11.446  -5.134
   45   2HB   PRO   8           HB3      PRO   8   0.913  10.950  -5.920
   46   1HG   PRO   8           HG2      PRO   8   1.905  13.762  -5.403
   47   2HG   PRO   8           HG3      PRO   8   1.186  13.093  -6.898
   48   1HD   PRO   8           HD2      PRO   8  -0.181  14.516  -4.968
   49   2HD   PRO   8           HD3      PRO   8  -0.981  13.338  -6.059
   50    H    GLY   9           H        GLY   9   0.158  11.359  -1.371
   51   1HA   GLY   9           HA1      GLY   9   2.091  11.168   0.147
   52   2HA   GLY   9           HA2      GLY   9   2.745  12.648  -0.555
   53    H    GLU  10           H        GLU  10  -0.552  12.033   0.838
   54    HA   GLU  10           HA       GLU  10   0.169  14.074   2.929
   55   1HB   GLU  10           HB2      GLU  10  -2.379  13.949   1.331
   56   2HB   GLU  10           HB3      GLU  10  -2.180  14.990   2.666
   57   1HG   GLU  10           HG2      GLU  10  -0.277  15.082   0.255
   58   2HG   GLU  10           HG3      GLU  10  -1.812  15.868   0.280
   59    H    PHE  11           H        PHE  11  -2.493  13.861   4.369
   60    HA   PHE  11           HA       PHE  11  -2.323  11.115   5.260
   61   1HB   PHE  11           HB2      PHE  11  -1.369  12.293   6.883
   62   2HB   PHE  11           HB3      PHE  11  -2.403  13.672   6.763
   63    HD1  PHE  11           HD1      PHE  11  -3.219   9.995   7.347
   64    HD2  PHE  11           HD2      PHE  11  -3.267  14.037   8.880
   65    HE1  PHE  11           HE1      PHE  11  -4.709   9.295   9.180
   66    HE2  PHE  11           HE2      PHE  11  -4.732  13.325  10.706
   67    HZ   PHE  11           HZ       PHE  11  -5.519  11.002  10.839
   68    H    ALA  12           H        ALA  12  -3.878   9.881   5.223
   69    HA   ALA  12           HA       ALA  12  -6.664  10.796   4.770
   70   1HB   ALA  12           HB1      ALA  12  -7.150   8.647   3.865
   71   2HB   ALA  12           HB2      ALA  12  -5.754   9.341   3.025
   72   3HB   ALA  12           HB3      ALA  12  -5.531   8.048   4.236
   73    H    CYS  13           H        CYS  13  -7.795  10.908   6.541
   74    HA   CYS  13           HA       CYS  13  -7.289   9.568   9.081
   75   1HB   CYS  13           HB2      CYS  13  -7.933  11.952   8.932
   76   2HB   CYS  13           HB3      CYS  13  -9.342  11.489   7.986
   77    H    ALA  14           H        ALA  14  -8.278   7.660   9.637
   78    HA   ALA  14           HA       ALA  14 -10.238   6.322   8.115
   79   1HB   ALA  14           HB1      ALA  14  -9.568   6.028  11.064
   80   2HB   ALA  14           HB2      ALA  14 -10.381   4.833  10.040
   81   3HB   ALA  14           HB3      ALA  14  -8.690   5.269   9.721
   82    H    ASN  15           H        ASN  15 -10.880   9.082  10.171
   83    HA   ASN  15           HA       ASN  15 -13.704   8.424  10.582
   84   1HB   ASN  15           HB2      ASN  15 -12.655  10.162  11.975
   85   2HB   ASN  15           HB3      ASN  15 -12.334  11.166  10.573
   86    HD2  ASN  15           HD2      ASN  15 -15.003   9.743  12.520
   87    HD2  ASN  15           HD2      ASN  15 -16.123  11.004  11.987
   88    H    SER  16           H        SER  16 -11.803   9.677   7.985
   89    HA   SER  16           HA       SER  16 -12.380   9.007   5.775
   90   1HB   SER  16           HB2      SER  16 -15.043  10.428   6.082
   91   2HB   SER  16           HB3      SER  16 -14.418   9.617   4.633
   92    HG   SER  16           HG       SER  16 -15.065   8.521   7.137
   93    H    ARG  17           H        ARG  17 -10.670  10.693   6.549
   94    HA   ARG  17           HA       ARG  17 -11.299  13.339   5.192
   95   1HB   ARG  17           HB2      ARG  17  -9.656  13.534   7.673
   96   2HB   ARG  17           HB3      ARG  17 -10.632  14.730   6.897
   97   1HG   ARG  17           HG2      ARG  17 -11.686  12.384   8.542
   98   2HG   ARG  17           HG3      ARG  17 -11.459  14.025   9.111
   99   1HD   ARG  17           HD2      ARG  17 -13.548  13.026   7.160
  100   2HD   ARG  17           HD3      ARG  17 -13.768  13.716   8.744
  101    HE   ARG  17           HE       ARG  17 -13.186  15.881   7.935
  102    HH1  ARG  17           HH1      ARG  17 -13.594  17.442   6.416
  103    HH1  ARG  17           HH1      ARG  17 -13.917  16.998   4.768
  104    HH2  ARG  17           HH2      ARG  17 -13.984  14.877   4.131
  105    HH2  ARG  17           HH2      ARG  17 -13.599  13.589   5.234
  106    H    CYS  18           H        CYS  18  -9.911  14.533   4.017
  107    HA   CYS  18           HA       CYS  18  -7.125  13.575   4.170
  108   1HB   CYS  18           HB2      CYS  18  -6.563  13.517   2.199
  109   2HB   CYS  18           HB3      CYS  18  -8.206  12.911   2.068
  110    H    ILE  19           H        ILE  19  -5.712  14.607   4.876
  111    HA   ILE  19           HA       ILE  19  -5.639  17.587   4.924
  112    HB   ILE  19           HB       ILE  19  -4.697  17.239   7.322
  113    HG2  ILE  19           HG2      ILE  19  -6.671  18.554   6.917
  114    HG2  ILE  19           HG2      ILE  19  -7.692  17.104   6.825
  115    HG2  ILE  19           HG2      ILE  19  -6.916  17.560   8.362
  116    HG1  ILE  19           HG1      ILE  19  -4.867  14.652   7.077
  117    HG1  ILE  19           HG1      ILE  19  -5.165  15.418   8.610
  118    HD1  ILE  19           HD1      ILE  19  -6.702  13.576   8.145
  119    HD1  ILE  19           HD1      ILE  19  -7.542  15.103   8.455
  120    HD1  ILE  19           HD1      ILE  19  -7.403  14.478   6.797
  121    H    GLN  20           H        GLN  20  -3.401  18.207   5.480
  122    HA   GLN  20           HA       GLN  20  -1.586  16.642   3.894
  123   1HB   GLN  20           HB2      GLN  20  -0.211  18.711   3.970
  124   2HB   GLN  20           HB3      GLN  20  -1.895  19.069   3.549
  125   1HG   GLN  20           HG2      GLN  20  -2.309  19.663   5.966
  126   2HG   GLN  20           HG3      GLN  20  -0.590  19.388   6.277
  127    HE2  GLN  20           HE2      GLN  20  -0.607  20.922   3.288
  128    HE2  GLN  20           HE2      GLN  20  -0.476  22.553   3.964
  129    H    GLU  21           H        GLU  21   0.452  16.037   4.402
  130    HA   GLU  21           HA       GLU  21   0.731  14.462   6.756
  131   1HB   GLU  21           HB2      GLU  21   1.636  13.863   4.642
  132   2HB   GLU  21           HB3      GLU  21   2.659  15.295   4.551
  133   1HG   GLU  21           HG2      GLU  21   4.215  14.462   6.060
  134   2HG   GLU  21           HG3      GLU  21   3.087  13.378   6.835
  135    H    ARG  22           H        ARG  22   1.552  17.866   6.535
  136    HA   ARG  22           HA       ARG  22   3.376  18.098   8.745
  137   1HB   ARG  22           HB2      ARG  22   2.952  20.167   7.882
  138   2HB   ARG  22           HB3      ARG  22   1.251  19.825   7.563
  139   1HG   ARG  22           HG2      ARG  22   0.824  19.794   9.968
  140   2HG   ARG  22           HG3      ARG  22   2.483  20.338  10.313
  141   1HD   ARG  22           HD2      ARG  22   1.873  22.494   9.711
  142   2HD   ARG  22           HD3      ARG  22   0.669  21.903   8.569
  143    HE   ARG  22           HE       ARG  22  -0.745  22.622  10.286
  144    HH1  ARG  22           HH1      ARG  22  -2.340  21.816  11.691
  145    HH1  ARG  22           HH1      ARG  22  -1.819  20.629  12.862
  146    HH2  ARG  22           HH2      ARG  22  -0.045  19.709  12.894
  147    HH2  ARG  22           HH2      ARG  22   1.333  20.225  11.960
  148    H    TRP  23           H        TRP  23  -0.038  17.024   8.658
  149    HA   TRP  23           HA       TRP  23  -0.375  17.385  11.517
  150   1HB   TRP  23           HB2      TRP  23  -2.297  16.412   9.374
  151   2HB   TRP  23           HB3      TRP  23  -2.675  16.961  10.988
  152    HD1  TRP  23           HD1      TRP  23  -0.584  19.053   8.494
  153    HE1  TRP  23           HE1      TRP  23  -1.792  21.194   7.874
  154    HE3  TRP  23           HE3      TRP  23  -5.043  18.050  10.670
  155    HZ2  TRP  23           HZ2      TRP  23  -4.350  22.387   8.366
  156    HZ3  TRP  23           HZ3      TRP  23  -6.906  19.672  10.530
  157    HH2  TRP  23           HH2      TRP  23  -6.574  21.858   9.383
  158    H    LYS  24           H        LYS  24   1.147  14.940   9.632
  159    HA   LYS  24           HA       LYS  24   0.281  12.751  11.303
  160   1HB   LYS  24           HB2      LYS  24   2.399  13.109   9.135
  161   2HB   LYS  24           HB3      LYS  24   2.153  11.618  10.020
  162   1HG   LYS  24           HG2      LYS  24  -0.123  11.370   9.126
  163   2HG   LYS  24           HG3      LYS  24  -0.032  12.970   8.409
  164   1HD   LYS  24           HD2      LYS  24   1.077  12.318   6.606
  165   2HD   LYS  24           HD3      LYS  24   2.240  11.357   7.509
  166   1HE   LYS  24           HE2      LYS  24   0.932   9.414   7.357
  167   2HE   LYS  24           HE3      LYS  24  -0.519  10.310   6.852
  168   1HZ   LYS  24           HZ1      LYS  24   1.950  10.386   5.209
  169   2HZ   LYS  24           HZ2      LYS  24   0.715   9.209   4.970
  170   3HZ   LYS  24           HZ3      LYS  24   0.444  10.772   4.772
  171    H    CYS  25           H        CYS  25   1.052  12.436  13.114
  172    HA   CYS  25           HA       CYS  25   1.843  12.855  14.986
  173   1HB   CYS  25           HB2      CYS  25   4.458  12.775  15.300
  174   2HB   CYS  25           HB3      CYS  25   3.509  11.407  14.942
  175    H    ASP  26           H        ASP  26   0.858  15.165  14.629
  176    HA   ASP  26           HA       ASP  26   2.972  17.102  15.511
  177   1HB   ASP  26           HB2      ASP  26   1.097  18.799  15.376
  178   2HB   ASP  26           HB3      ASP  26   1.725  18.192  13.844
  179    H    GLY  27           H        GLY  27   0.901  14.771  16.863
  180   1HA   GLY  27           HA1      GLY  27   0.100  14.547  18.988
  181   2HA   GLY  27           HA2      GLY  27   0.637  16.168  19.429
  182    H    ASP  28           H        ASP  28  -1.353  16.063  16.416
  183    HA   ASP  28           HA       ASP  28  -3.622  17.000  18.134
  184   1HB   ASP  28           HB2      ASP  28  -2.685  18.749  16.691
  185   2HB   ASP  28           HB3      ASP  28  -3.192  17.831  15.278
  186    H    ASN  29           H        ASN  29  -5.248  15.876  18.311
  187    HA   ASN  29           HA       ASN  29  -6.312  13.556  17.459
  188   1HB   ASN  29           HB2      ASN  29  -8.085  16.019  17.213
  189   2HB   ASN  29           HB3      ASN  29  -8.458  14.448  17.811
  190    HD2  ASN  29           HD2      ASN  29  -6.531  17.457  18.389
  191    HD2  ASN  29           HD2      ASN  29  -6.693  17.359  20.168
  192    H    ASP  30           H        ASP  30  -6.401  16.520  15.748
  193    HA   ASP  30           HA       ASP  30  -7.455  17.445  14.025
  194   1HB   ASP  30           HB2      ASP  30  -5.694  17.793  12.765
  195   2HB   ASP  30           HB3      ASP  30  -4.886  16.767  13.916
  196    H    CYS  31           H        CYS  31  -7.000  14.189  13.371
  197    HA   CYS  31           HA       CYS  31  -8.993  13.805  11.384
  198   1HB   CYS  31           HB2      CYS  31  -7.010  12.475  11.420
  199   2HB   CYS  31           HB3      CYS  31  -7.213  12.039  13.117
  200    H    LEU  32           H        LEU  32  -9.075  13.876  14.788
  201    HA   LEU  32           HA       LEU  32 -10.760  13.776  16.317
  202   1HB   LEU  32           HB2      LEU  32 -12.690  14.689  15.729
  203   2HB   LEU  32           HB3      LEU  32 -12.004  14.777  14.126
  204    HG   LEU  32           HG       LEU  32 -13.154  12.362  13.833
  205    HD1  LEU  32           HD1      LEU  32 -15.320  12.270  14.967
  206    HD1  LEU  32           HD1      LEU  32 -14.036  12.260  16.178
  207    HD1  LEU  32           HD1      LEU  32 -14.945  13.751  15.877
  208    HD2  LEU  32           HD2      LEU  32 -15.114  13.522  12.901
  209    HD2  LEU  32           HD2      LEU  32 -14.627  15.021  13.728
  210    HD2  LEU  32           HD2      LEU  32 -13.604  14.318  12.451
  211    H    ASP  33           H        ASP  33 -10.677  11.267  13.935
  212    HA   ASP  33           HA       ASP  33 -11.688   9.102  15.670
  213   1HB   ASP  33           HB2      ASP  33 -11.974   8.478  13.500
  214   2HB   ASP  33           HB3      ASP  33 -10.685   9.487  12.897
  215    H    ASN  34           H        ASN  34  -8.888  10.977  15.315
  216    HA   ASN  34           HA       ASN  34  -6.680  10.798  15.578
  217   1HB   ASN  34           HB2      ASN  34  -7.137  10.775  17.976
  218   2HB   ASN  34           HB3      ASN  34  -7.352   9.010  17.937
  219    HD2  ASN  34           HD2      ASN  34  -5.477   9.203  19.643
  220    HD2  ASN  34           HD2      ASN  34  -3.869   9.249  18.890
  221    H    SER  35           H        SER  35  -6.272   9.928  13.551
  222    HA   SER  35           HA       SER  35  -5.703   7.053  13.569
  223   1HB   SER  35           HB2      SER  35  -5.856   9.077  11.326
  224   2HB   SER  35           HB3      SER  35  -5.083   7.504  11.170
  225    HG   SER  35           HG       SER  35  -7.827   7.619  12.106
  226    H    ASP  36           H        ASP  36  -4.176  10.143  12.520
  227    HA   ASP  36           HA       ASP  36  -1.808   8.891  12.169
  228   1HB   ASP  36           HB2      ASP  36  -0.904  10.814  11.625
  229   2HB   ASP  36           HB3      ASP  36  -2.590  11.062  11.249
  230    H    GLU  37           H        GLU  37  -2.771  10.849  14.991
  231    HA   GLU  37           HA       GLU  37  -0.296  10.611  16.340
  232   1HB   GLU  37           HB2      GLU  37  -2.928  11.342  17.646
  233   2HB   GLU  37           HB3      GLU  37  -1.317  11.823  18.094
  234   1HG   GLU  37           HG2      GLU  37  -2.721  12.563  15.496
  235   2HG   GLU  37           HG3      GLU  37  -2.644  13.553  16.967
  236    H    ALA  38           H        ALA  38  -2.407   7.996  15.841
  237    HA   ALA  38           HA       ALA  38  -1.379   6.735  18.300
  238   1HB   ALA  38           HB1      ALA  38  -3.408   5.815  16.212
  239   2HB   ALA  38           HB2      ALA  38  -2.922   4.916  17.666
  240   3HB   ALA  38           HB3      ALA  38  -3.794   6.458  17.818
  241    HA   PRO  39           HA       PRO  39   2.011   5.467  15.725
  242   1HB   PRO  39           HB2      PRO  39   3.130   3.478  17.230
  243   2HB   PRO  39           HB3      PRO  39   3.070   5.180  17.760
  244   1HG   PRO  39           HG2      PRO  39   1.121   2.956  18.460
  245   2HG   PRO  39           HG3      PRO  39   1.988   4.054  19.585
  246   1HD   PRO  39           HD2      PRO  39  -0.544   4.577  18.777
  247   2HD   PRO  39           HD3      PRO  39   0.645   5.896  18.969
  248    H    ALA  40           H        ALA  40  -0.603   4.206  15.251
  249    HA   ALA  40           HA       ALA  40   0.048   1.792  13.633
  250   1HB   ALA  40           HB1      ALA  40  -2.391   3.640  13.684
  251   2HB   ALA  40           HB2      ALA  40  -2.213   2.179  12.688
  252   3HB   ALA  40           HB3      ALA  40  -2.279   2.041  14.456
  253    H    LEU  41           H        LEU  41   0.031   5.296  13.627
  254    HA   LEU  41           HA       LEU  41   1.255   5.353  10.916
  255   1HB   LEU  41           HB2      LEU  41  -1.068   6.285  11.151
  256   2HB   LEU  41           HB3      LEU  41  -0.434   7.471  12.278
  257    HG   LEU  41           HG       LEU  41   0.751   7.164   9.525
  258    HD1  LEU  41           HD1      LEU  41  -1.741   7.471   9.237
  259    HD1  LEU  41           HD1      LEU  41  -1.589   9.044  10.046
  260    HD1  LEU  41           HD1      LEU  41  -0.771   8.764   8.529
  261    HD2  LEU  41           HD2      LEU  41   2.102   8.577  10.717
  262    HD2  LEU  41           HD2      LEU  41   1.123   9.632   9.736
  263    HD2  LEU  41           HD2      LEU  41   0.742   9.441  11.467
  264    H    CYS  42           H        CYS  42   1.018   7.919  13.565
  265    HA   CYS  42           HA       CYS  42   3.828   7.473  14.173
  266   1HB   CYS  42           HB2      CYS  42   3.842   8.872  12.059
  267   2HB   CYS  42           HB3      CYS  42   2.946  10.091  12.930
  268    H    HIS  43           H        HIS  43   3.870   7.712  16.403
  269    HA   HIS  43           HA       HIS  43   2.523  10.148  17.561
  270   1HB   HIS  43           HB2      HIS  43   1.226   8.075  18.130
  271   2HB   HIS  43           HB3      HIS  43   2.687   7.343  18.763
  272    HD1  HIS  43           HD1      HIS  43   3.383   7.889  21.189
  273    HD2  HIS  43           HD2      HIS  43   0.586  10.578  19.566
  274    HE1  HIS  43           HE1      HIS  43   2.709   9.488  23.084
  275    H    GLN  44           H        GLN  44   4.225  11.449  17.975
  276    HA   GLN  44           HA       GLN  44   6.537  10.385  19.494
  277   1HB   GLN  44           HB2      GLN  44   6.948  10.313  16.984
  278   2HB   GLN  44           HB3      GLN  44   6.879  12.072  16.977
  279   1HG   GLN  44           HG2      GLN  44   8.811  10.368  18.632
  280   2HG   GLN  44           HG3      GLN  44   9.194  11.086  17.071
  281    HE2  GLN  44           HE2      GLN  44   9.023  13.604  16.952
  282    HE2  GLN  44           HE2      GLN  44   9.507  14.402  18.451
  283    H    HIS  45           H        HIS  45   6.606  11.572  21.283
  284    HA   HIS  45           HA       HIS  45   5.408  14.050  21.812
  285   1HB   HIS  45           HB2      HIS  45   7.948  12.950  23.071
  286   2HB   HIS  45           HB3      HIS  45   6.793  14.060  23.807
  287    HD1  HIS  45           HD1      HIS  45   7.681  10.615  24.109
  288    HD2  HIS  45           HD2      HIS  45   4.056  12.724  23.707
  289    HE1  HIS  45           HE1      HIS  45   5.826   9.070  24.975
  Start of MODEL   20
    1    H    GLY   1           H        GLY   1   4.772   6.133  -0.084
    2   1HA   GLY   1           HA1      GLY   1   3.807   4.176   1.682
    3   2HA   GLY   1           HA2      GLY   1   5.141   5.033   2.476
    4    H    SER   2           H        SER   2   2.953   5.298   3.730
    5    HA   SER   2           HA       SER   2   1.541   6.737   4.754
    6   1HB   SER   2           HB2      SER   2   3.005   8.636   3.833
    7   2HB   SER   2           HB3      SER   2   1.758   8.832   2.584
    8    HG   SER   2           HG       SER   2   0.484   9.736   4.057
    9    HA   PRO   3           HA       PRO   3  -1.994   5.487   2.191
   10   1HB   PRO   3           HB2      PRO   3  -4.023   5.800   3.945
   11   2HB   PRO   3           HB3      PRO   3  -2.838   4.478   4.066
   12   1HG   PRO   3           HG2      PRO   3  -2.818   7.093   5.605
   13   2HG   PRO   3           HG3      PRO   3  -2.600   5.432   6.233
   14   1HD   PRO   3           HD2      PRO   3  -0.497   7.093   5.620
   15   2HD   PRO   3           HD3      PRO   3  -0.396   5.315   5.435
   16    HA   PRO   4           HA       PRO   4  -1.801   9.748   1.155
   17   1HB   PRO   4           HB2      PRO   4  -2.456   9.712  -1.504
   18   2HB   PRO   4           HB3      PRO   4  -0.982   8.946  -0.829
   19   1HG   PRO   4           HG2      PRO   4  -3.611   7.614  -1.540
   20   2HG   PRO   4           HG3      PRO   4  -1.948   7.097  -1.956
   21   1HD   PRO   4           HD2      PRO   4  -3.311   6.079   0.195
   22   2HD   PRO   4           HD3      PRO   4  -1.541   6.308   0.193
   23    H    GLN   5           H        GLN   5  -4.752   8.596  -0.445
   24    HA   GLN   5           HA       GLN   5  -6.759   9.488  -0.904
   25   1HB   GLN   5           HB2      GLN   5  -6.325  10.461   1.910
   26   2HB   GLN   5           HB3      GLN   5  -7.778  10.940   1.017
   27   1HG   GLN   5           HG2      GLN   5  -6.957   8.043   1.436
   28   2HG   GLN   5           HG3      GLN   5  -8.110   8.930   2.445
   29    HE2  GLN   5           HE2      GLN   5  -8.008   6.755  -0.156
   30    HE2  GLN   5           HE2      GLN   5  -9.570   7.262  -0.813
   31    H    CYS   6           H        CYS   6  -4.810  12.189   0.387
   32    HA   CYS   6           HA       CYS   6  -6.133  14.153  -1.361
   33   1HB   CYS   6           HB2      CYS   6  -4.187  14.158   0.872
   34   2HB   CYS   6           HB3      CYS   6  -3.789  15.320  -0.369
   35    H    GLN   7           H        GLN   7  -2.715  13.072  -1.048
   36    HA   GLN   7           HA       GLN   7  -2.312  12.937  -3.942
   37   1HB   GLN   7           HB2      GLN   7  -0.381  14.619  -2.307
   38   2HB   GLN   7           HB3      GLN   7  -0.562  14.539  -4.043
   39   1HG   GLN   7           HG2      GLN   7  -2.719  15.778  -3.880
   40   2HG   GLN   7           HG3      GLN   7  -2.496  15.914  -2.132
   41    HE2  GLN   7           HE2      GLN   7  -0.705  17.332  -1.228
   42    HE2  GLN   7           HE2      GLN   7  -0.058  18.478  -2.418
   43    HA   PRO   8           HA       PRO   8   0.265   9.602  -2.518
   44   1HB   PRO   8           HB2      PRO   8   2.425   9.522  -4.219
   45   2HB   PRO   8           HB3      PRO   8   0.764   9.017  -4.645
   46   1HG   PRO   8           HG2      PRO   8   2.081  11.697  -5.170
   47   2HG   PRO   8           HG3      PRO   8   1.160  10.670  -6.318
   48   1HD   PRO   8           HD2      PRO   8  -0.012  12.750  -5.073
   49   2HD   PRO   8           HD3      PRO   8  -0.906  11.218  -5.283
   50    H    GLY   9           H        GLY   9   0.713  10.335  -0.495
   51   1HA   GLY   9           HA1      GLY   9   2.973  10.225   0.761
   52   2HA   GLY   9           HA2      GLY   9   3.228  11.834   0.090
   53    H    GLU  10           H        GLU  10   0.141  12.051   0.436
   54    HA   GLU  10           HA       GLU  10   0.292  13.576   2.858
   55   1HB   GLU  10           HB2      GLU  10  -1.981  12.869   0.969
   56   2HB   GLU  10           HB3      GLU  10  -2.064  14.174   2.144
   57   1HG   GLU  10           HG2      GLU  10   0.152  14.085   0.009
   58   2HG   GLU  10           HG3      GLU  10  -1.435  14.645  -0.302
   59    H    PHE  11           H        PHE  11  -2.301  13.364   4.141
   60    HA   PHE  11           HA       PHE  11  -2.160  10.719   5.268
   61   1HB   PHE  11           HB2      PHE  11  -1.233  12.173   6.723
   62   2HB   PHE  11           HB3      PHE  11  -2.357  13.454   6.454
   63    HD1  PHE  11           HD1      PHE  11  -3.097   9.796   7.258
   64    HD2  PHE  11           HD2      PHE  11  -3.047  13.874   8.689
   65    HE1  PHE  11           HE1      PHE  11  -4.522   9.159   9.151
   66    HE2  PHE  11           HE2      PHE  11  -4.479  13.216  10.568
   67    HZ   PHE  11           HZ       PHE  11  -5.285  10.925  10.784
   68    H    ALA  12           H        ALA  12  -3.668   9.464   4.904
   69    HA   ALA  12           HA       ALA  12  -6.484  10.252   4.589
   70   1HB   ALA  12           HB1      ALA  12  -5.141   7.533   4.626
   71   2HB   ALA  12           HB2      ALA  12  -6.805   7.866   4.131
   72   3HB   ALA  12           HB3      ALA  12  -5.441   8.494   3.165
   73    H    CYS  13           H        CYS  13  -7.546  10.697   6.376
   74    HA   CYS  13           HA       CYS  13  -7.100   9.495   9.019
   75   1HB   CYS  13           HB2      CYS  13  -7.693  11.869   8.706
   76   2HB   CYS  13           HB3      CYS  13  -9.141  11.370   7.845
   77    H    ALA  14           H        ALA  14  -8.088   7.595   9.609
   78    HA   ALA  14           HA       ALA  14 -10.068   6.262   8.091
   79   1HB   ALA  14           HB1      ALA  14 -10.218   4.774  10.016
   80   2HB   ALA  14           HB2      ALA  14  -8.524   5.180   9.671
   81   3HB   ALA  14           HB3      ALA  14  -9.368   5.952  11.028
   82    H    ASN  15           H        ASN  15 -10.657   9.050  10.112
   83    HA   ASN  15           HA       ASN  15 -13.486   8.451  10.545
   84   1HB   ASN  15           HB2      ASN  15 -12.456  10.229  11.872
   85   2HB   ASN  15           HB3      ASN  15 -12.053  11.159  10.439
   86    HD2  ASN  15           HD2      ASN  15 -14.857   9.865  12.296
   87    HD2  ASN  15           HD2      ASN  15 -15.910  11.146  11.682
   88    H    SER  16           H        SER  16 -11.590   9.596   7.888
   89    HA   SER  16           HA       SER  16 -12.203   8.849   5.704
   90   1HB   SER  16           HB2      SER  16 -14.837  10.326   5.997
   91   2HB   SER  16           HB3      SER  16 -14.240   9.473   4.562
   92    HG   SER  16           HG       SER  16 -14.874   8.446   7.098
   93    H    ARG  17           H        ARG  17 -10.441  10.517   6.386
   94    HA   ARG  17           HA       ARG  17 -11.015  13.090   4.885
   95   1HB   ARG  17           HB2      ARG  17  -9.269  13.375   7.277
   96   2HB   ARG  17           HB3      ARG  17 -10.231  14.556   6.463
   97   1HG   ARG  17           HG2      ARG  17 -11.304  12.364   8.301
   98   2HG   ARG  17           HG3      ARG  17 -10.982  14.024   8.756
   99   1HD   ARG  17           HD2      ARG  17 -13.197  13.004   6.959
  100   2HD   ARG  17           HD3      ARG  17 -13.318  13.786   8.510
  101    HE   ARG  17           HE       ARG  17 -12.694  15.880   7.559
  102    HH1  ARG  17           HH1      ARG  17 -13.076  17.371   5.965
  103    HH1  ARG  17           HH1      ARG  17 -13.465  16.851   4.355
  104    HH2  ARG  17           HH2      ARG  17 -13.643  14.703   3.841
  105    HH2  ARG  17           HH2      ARG  17 -13.286  13.461   5.006
  106    H    CYS  18           H        CYS  18  -9.699  14.045   3.523
  107    HA   CYS  18           HA       CYS  18  -6.885  13.080   3.577
  108   1HB   CYS  18           HB2      CYS  18  -6.525  13.314   1.546
  109   2HB   CYS  18           HB3      CYS  18  -8.240  13.014   1.342
  110    H    ILE  19           H        ILE  19  -5.556  14.138   4.634
  111    HA   ILE  19           HA       ILE  19  -5.514  17.112   4.518
  112    HB   ILE  19           HB       ILE  19  -4.623  17.012   6.914
  113    HG2  ILE  19           HG2      ILE  19  -6.882  17.186   7.930
  114    HG2  ILE  19           HG2      ILE  19  -6.716  18.101   6.420
  115    HG2  ILE  19           HG2      ILE  19  -7.591  16.556   6.430
  116    HG1  ILE  19           HG1      ILE  19  -4.541  14.422   6.868
  117    HG1  ILE  19           HG1      ILE  19  -4.956  15.259   8.336
  118    HD1  ILE  19           HD1      ILE  19  -6.260  13.242   7.990
  119    HD1  ILE  19           HD1      ILE  19  -7.275  14.682   8.165
  120    HD1  ILE  19           HD1      ILE  19  -7.025  13.945   6.565
  121    H    GLN  20           H        GLN  20  -3.350  17.828   4.972
  122    HA   GLN  20           HA       GLN  20  -1.467  16.304   3.451
  123   1HB   GLN  20           HB2      GLN  20  -0.204  18.425   3.436
  124   2HB   GLN  20           HB3      GLN  20  -1.919  18.749   3.133
  125   1HG   GLN  20           HG2      GLN  20  -2.157  19.218   5.638
  126   2HG   GLN  20           HG3      GLN  20  -0.398  19.117   5.756
  127    HE2  GLN  20           HE2      GLN  20  -0.643  20.698   2.866
  128    HE2  GLN  20           HE2      GLN  20  -0.745  22.318   3.569
  129    H    GLU  21           H        GLU  21   0.583  15.852   3.960
  130    HA   GLU  21           HA       GLU  21   1.084  14.283   6.187
  131   1HB   GLU  21           HB2      GLU  21   2.374  13.887   4.300
  132   2HB   GLU  21           HB3      GLU  21   2.765  15.580   4.026
  133   1HG   GLU  21           HG2      GLU  21   4.421  15.616   5.719
  134   2HG   GLU  21           HG3      GLU  21   3.986  14.040   6.341
  135    H    ARG  22           H        ARG  22   1.592  17.802   6.294
  136    HA   ARG  22           HA       ARG  22   3.308  17.966   8.565
  137   1HB   ARG  22           HB2      ARG  22   2.791  20.070   7.835
  138   2HB   ARG  22           HB3      ARG  22   1.109  19.692   7.502
  139   1HG   ARG  22           HG2      ARG  22   0.724  19.492   9.992
  140   2HG   ARG  22           HG3      ARG  22   2.379  20.087  10.254
  141   1HD   ARG  22           HD2      ARG  22   1.670  22.244   9.744
  142   2HD   ARG  22           HD3      ARG  22   0.418  21.642   8.656
  143    HE   ARG  22           HE       ARG  22  -1.062  21.888  10.401
  144    HH1  ARG  22           HH1      ARG  22  -2.166  20.907  12.188
  145    HH1  ARG  22           HH1      ARG  22  -1.122  20.156  13.395
  146    HH2  ARG  22           HH2      ARG  22   0.767  20.038  13.371
  147    HH2  ARG  22           HH2      ARG  22   1.848  20.668  12.108
  148    H    TRP  23           H        TRP  23  -0.049  16.806   8.311
  149    HA   TRP  23           HA       TRP  23  -0.534  17.195  11.158
  150   1HB   TRP  23           HB2      TRP  23  -2.260  16.086   8.911
  151   2HB   TRP  23           HB3      TRP  23  -2.787  16.577  10.503
  152    HD1  TRP  23           HD1      TRP  23  -0.650  18.797   8.162
  153    HE1  TRP  23           HE1      TRP  23  -1.913  20.895   7.487
  154    HE3  TRP  23           HE3      TRP  23  -5.209  17.601  10.045
  155    HZ2  TRP  23           HZ2      TRP  23  -4.497  22.023   7.918
  156    HZ3  TRP  23           HZ3      TRP  23  -7.086  19.192   9.881
  157    HH2  TRP  23           HH2      TRP  23  -6.752  21.419   8.821
  158    H    LYS  24           H        LYS  24   1.132  14.777   9.331
  159    HA   LYS  24           HA       LYS  24   0.444  12.534  10.997
  160   1HB   LYS  24           HB2      LYS  24   2.626  13.021   8.934
  161   2HB   LYS  24           HB3      LYS  24   2.326  11.504   9.738
  162   1HG   LYS  24           HG2      LYS  24  -0.009  11.468   8.808
  163   2HG   LYS  24           HG3      LYS  24   0.416  12.925   7.902
  164   1HD   LYS  24           HD2      LYS  24   1.646  10.147   7.548
  165   2HD   LYS  24           HD3      LYS  24   0.629  11.027   6.406
  166   1HE   LYS  24           HE2      LYS  24   2.438  12.843   6.443
  167   2HE   LYS  24           HE3      LYS  24   3.456  11.693   7.295
  168   1HZ   LYS  24           HZ1      LYS  24   2.423  11.447   4.517
  169   2HZ   LYS  24           HZ2      LYS  24   3.957  11.580   4.997
  170   3HZ   LYS  24           HZ3      LYS  24   3.072  10.185   5.323
  171    H    CYS  25           H        CYS  25   1.345  12.204  12.835
  172    HA   CYS  25           HA       CYS  25   2.739  12.036  14.522
  173   1HB   CYS  25           HB2      CYS  25   4.980  13.537  13.144
  174   2HB   CYS  25           HB3      CYS  25   5.117  12.293  14.372
  175    H    ASP  26           H        ASP  26   1.092  14.550  14.129
  176    HA   ASP  26           HA       ASP  26   2.792  16.889  14.575
  177   1HB   ASP  26           HB2      ASP  26   1.400  17.669  13.116
  178   2HB   ASP  26           HB3      ASP  26   0.487  16.243  13.053
  179    H    GLY  27           H        GLY  27   1.046  14.659  16.485
  180   1HA   GLY  27           HA1      GLY  27   0.865  14.705  18.805
  181   2HA   GLY  27           HA2      GLY  27   1.186  16.441  18.819
  182    H    ASP  28           H        ASP  28  -1.292  15.753  16.424
  183    HA   ASP  28           HA       ASP  28  -3.346  15.778  18.525
  184   1HB   ASP  28           HB2      ASP  28  -2.807  18.181  17.986
  185   2HB   ASP  28           HB3      ASP  28  -3.518  17.904  16.395
  186    H    ASN  29           H        ASN  29  -5.260  15.297  18.139
  187    HA   ASN  29           HA       ASN  29  -6.050  13.439  16.049
  188   1HB   ASN  29           HB2      ASN  29  -8.234  14.448  17.729
  189   2HB   ASN  29           HB3      ASN  29  -7.709  12.837  17.399
  190    HD2  ASN  29           HD2      ASN  29  -6.382  15.703  19.450
  191    HD2  ASN  29           HD2      ASN  29  -6.137  14.548  20.762
  192    H    ASP  30           H        ASP  30  -5.231  15.637  14.844
  193    HA   ASP  30           HA       ASP  30  -7.002  17.551  13.836
  194   1HB   ASP  30           HB2      ASP  30  -5.328  17.716  12.247
  195   2HB   ASP  30           HB3      ASP  30  -4.464  16.852  13.521
  196    H    CYS  31           H        CYS  31  -6.689  14.171  13.301
  197    HA   CYS  31           HA       CYS  31  -8.698  13.802  11.327
  198   1HB   CYS  31           HB2      CYS  31  -6.740  12.502  11.393
  199   2HB   CYS  31           HB3      CYS  31  -6.948  12.029  13.074
  200    H    LEU  32           H        LEU  32  -9.136  14.246  14.665
  201    HA   LEU  32           HA       LEU  32 -10.702  13.837  16.171
  202   1HB   LEU  32           HB2      LEU  32 -12.709  14.559  15.587
  203   2HB   LEU  32           HB3      LEU  32 -11.981  14.768  14.011
  204    HG   LEU  32           HG       LEU  32 -12.928  12.313  13.554
  205    HD1  LEU  32           HD1      LEU  32 -15.109  11.970  14.635
  206    HD1  LEU  32           HD1      LEU  32 -13.836  11.940  15.856
  207    HD1  LEU  32           HD1      LEU  32 -14.844  13.386  15.676
  208    HD2  LEU  32           HD2      LEU  32 -14.606  14.854  13.632
  209    HD2  LEU  32           HD2      LEU  32 -13.544  14.315  12.308
  210    HD2  LEU  32           HD2      LEU  32 -14.996  13.392  12.700
  211    H    ASP  33           H        ASP  33 -10.398  11.283  13.850
  212    HA   ASP  33           HA       ASP  33 -11.431   9.120  15.575
  213   1HB   ASP  33           HB2      ASP  33 -11.783   8.544  13.396
  214   2HB   ASP  33           HB3      ASP  33 -10.478   9.532  12.783
  215    H    ASN  34           H        ASN  34  -8.587  10.902  15.094
  216    HA   ASN  34           HA       ASN  34  -6.369  10.717  15.524
  217   1HB   ASN  34           HB2      ASN  34  -7.293  10.540  17.901
  218   2HB   ASN  34           HB3      ASN  34  -7.117   8.794  17.766
  219    HD2  ASN  34           HD2      ASN  34  -5.654  11.300  19.234
  220    HD2  ASN  34           HD2      ASN  34  -3.979  10.725  19.019
  221    H    SER  35           H        SER  35  -5.988   9.866  13.446
  222    HA   SER  35           HA       SER  35  -5.476   6.981  13.413
  223   1HB   SER  35           HB2      SER  35  -5.751   9.021  11.204
  224   2HB   SER  35           HB3      SER  35  -4.928   7.478  10.990
  225    HG   SER  35           HG       SER  35  -7.657   7.569  12.009
  226    H    ASP  36           H        ASP  36  -3.950  10.071  12.342
  227    HA   ASP  36           HA       ASP  36  -1.572   8.835  11.880
  228   1HB   ASP  36           HB2      ASP  36  -0.641  10.708  11.411
  229   2HB   ASP  36           HB3      ASP  36  -2.321  11.033  11.064
  230    H    GLU  37           H        GLU  37  -2.445  10.762  14.701
  231    HA   GLU  37           HA       GLU  37  -0.051  10.471  16.121
  232   1HB   GLU  37           HB2      GLU  37  -2.728  11.092  17.361
  233   2HB   GLU  37           HB3      GLU  37  -1.112  11.581  17.887
  234   1HG   GLU  37           HG2      GLU  37  -2.488  12.424  15.323
  235   2HG   GLU  37           HG3      GLU  37  -2.340  13.381  16.801
  236    H    ALA  38           H        ALA  38  -2.120   7.839  15.544
  237    HA   ALA  38           HA       ALA  38  -1.036   6.503  17.934
  238   1HB   ALA  38           HB1      ALA  38  -3.497   6.429  17.680
  239   2HB   ALA  38           HB2      ALA  38  -3.320   5.772  16.044
  240   3HB   ALA  38           HB3      ALA  38  -2.783   4.818  17.445
  241    HA   PRO  39           HA       PRO  39   1.980   4.875  15.174
  242   1HB   PRO  39           HB2      PRO  39   2.948   2.735  16.554
  243   2HB   PRO  39           HB3      PRO  39   3.068   4.411  17.160
  244   1HG   PRO  39           HG2      PRO  39   0.926   2.357  17.829
  245   2HG   PRO  39           HG3      PRO  39   1.948   3.292  18.972
  246   1HD   PRO  39           HD2      PRO  39  -0.536   4.138  18.299
  247   2HD   PRO  39           HD3      PRO  39   0.806   5.302  18.496
  248    H    ALA  40           H        ALA  40  -0.808   3.921  14.740
  249    HA   ALA  40           HA       ALA  40  -0.414   1.537  13.010
  250   1HB   ALA  40           HB1      ALA  40  -2.689   1.970  13.899
  251   2HB   ALA  40           HB2      ALA  40  -2.660   3.606  13.201
  252   3HB   ALA  40           HB3      ALA  40  -2.642   2.183  12.137
  253    H    LEU  41           H        LEU  41  -0.049   5.027  13.177
  254    HA   LEU  41           HA       LEU  41   1.065   5.106  10.427
  255   1HB   LEU  41           HB2      LEU  41  -1.180   6.179  10.805
  256   2HB   LEU  41           HB3      LEU  41  -0.417   7.256  11.952
  257    HG   LEU  41           HG       LEU  41   0.684   7.020   9.145
  258    HD1  LEU  41           HD1      LEU  41  -1.745   7.374   8.824
  259    HD1  LEU  41           HD1      LEU  41  -1.630   8.878   9.758
  260    HD1  LEU  41           HD1      LEU  41  -0.752   8.713   8.235
  261    HD2  LEU  41           HD2      LEU  41   0.988   9.567   9.601
  262    HD2  LEU  41           HD2      LEU  41   0.859   9.081  11.290
  263    HD2  LEU  41           HD2      LEU  41   2.103   8.366  10.228
  264    H    CYS  42           H        CYS  42   1.115   7.570  13.230
  265    HA   CYS  42           HA       CYS  42   4.032   7.076  13.292
  266   1HB   CYS  42           HB2      CYS  42   3.281   9.002  11.842
  267   2HB   CYS  42           HB3      CYS  42   2.727   9.800  13.312
  268    H    HIS  43           H        HIS  43   1.562   9.011  15.107
  269    HA   HIS  43           HA       HIS  43   1.653   9.869  17.221
  270   1HB   HIS  43           HB2      HIS  43   1.260   7.421  17.742
  271   2HB   HIS  43           HB3      HIS  43   2.978   7.190  17.902
  272    HD1  HIS  43           HD1      HIS  43   3.408   6.721  20.326
  273    HD2  HIS  43           HD2      HIS  43   0.841   9.995  19.675
  274    HE1  HIS  43           HE1      HIS  43   3.001   7.811  22.613
  275    H    GLN  44           H        GLN  44   3.387   9.833  19.255
  276    HA   GLN  44           HA       GLN  44   4.837  11.519  19.899
  277   1HB   GLN  44           HB2      GLN  44   5.728   8.752  19.671
  278   2HB   GLN  44           HB3      GLN  44   7.106   9.838  19.754
  279   1HG   GLN  44           HG2      GLN  44   4.792   9.871  21.737
  280   2HG   GLN  44           HG3      GLN  44   6.344   9.064  21.987
  281    HE2  GLN  44           HE2      GLN  44   4.677  12.170  22.152
  282    HE2  GLN  44           HE2      GLN  44   6.149  13.110  22.414
  283    H    HIS  45           H        HIS  45   4.877  13.231  18.587
  284    HA   HIS  45           HA       HIS  45   5.840  14.903  17.403
  285   1HB   HIS  45           HB2      HIS  45   8.517  13.629  17.990
  286   2HB   HIS  45           HB3      HIS  45   8.134  15.335  17.836
  287    HD1  HIS  45           HD1      HIS  45   9.352  13.382  20.388
  288    HD2  HIS  45           HD2      HIS  45   5.804  15.618  20.048
  289    HE1  HIS  45           HE1      HIS  45   8.624  13.944  22.764