*HEADER    ANTIMICROBIAL PROTEIN                   10-OCT-19   6T33              
*TITLE     THE UNUSUAL STRUCTURE OF RUMINOCOCCIN C1 ANTIMICROBIAL PEPTIDE CONFERS
*TITLE    2 ACTIVITY AGAINST CLINICAL PATHOGENS                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RUMINOCOCCIN C;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: FOUR CYSTEINE SULFUR TO ALPHA-CARBON CROSS-LINKS      
*COMPND   6 BETWEEN C3/N16, C5/A12, C22/K42 AND C26/R34 D STEREOCHEMISTRY AT     
*COMPND   7 ALA12 (ALPHA-S), ASN16 (ALPHA-S), ARG34 (ALPHA-S) AND LYS42 (ALPHA-S)
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: [RUMINOCOCCUS] GNAVUS E1;                       
*SOURCE   3 ORGANISM_TAXID: 935582;                                              
*SOURCE   4 GENE: RUMC1;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    BACTERIOCIN, RUMINOCCIN, ANTIBIOTIC, THIOETHER BRIDGE, ANTIMICROBIAL  
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.CHIUMENTO,C.ROBLIN,O.BORNET,M.NOUAILLER,C.MULLER,C.BASSET,          
*AUTHOR   2 S.KIEFFER-JAQUINOD,Y.COUTE,S.TORELLI,L.LE PAPE,V.SHUNEMANN,          
*AUTHOR   3 K.JEANNOT,C.NICOLETTI,O.IRANZO,M.MARESCA,T.GIARDINA,M.FONS,          
*AUTHOR   4 E.DEVILLARD,J.PERRIER,M.ATTA,F.GUERLESQUIN,M.LAFOND,V.DUARTE         
*REVDAT   1   12-AUG-20 6T33    0                                                
# Restraints file 1: HBONDS.lol
# Lower distance limit
 2 GLY  O      23 VAL  H                1.80
 2 GLY  O      23 VAL  N                2.70
 4 VAL  O      25 TYR  H                1.80
 4 VAL  O      25 TYR  N                2.70
 9 THR  O      12 ALS  H                1.80
 9 THR  O      12 ALS  N                2.70
 9 THR  O      13 ASN  H                1.80
 9 THR  O      13 ASN  N                2.70
 10 ALA  O     13 ASN  H                1.80
 10 ALA  O     13 ASN  N                2.70
 10 ALA  O     14 SER  H                1.80
 10 ALA  O     14 SER  N                2.70
 11 VAL  O     14 SER  H                1.80
 11 VAL  O     14 SER  N                2.70
 11 VAL  O     15 HIS  H                1.80
 11 VAL  O     15 HIS  N                2.70
 12 ALS  O     15 HIS  H                1.80
 12 ALS  O     15 HIS  N                2.70
 23 VAL  O      4 VAL  H                1.80
 23 VAL  O      4 VAL  N                2.70
 25 TYR  O      6 SER  H                1.80
 25 TYR  O      6 SER  N                2.70
 31 VAL  O     34 RSS  H                1.80
 31 VAL  O     34 RSS  N                2.70
 31 VAL  O     35 ASN  H                1.80
 31 VAL  O     35 ASN  N                2.70
 32 VAL  O     36 ALA  H                1.80
 32 VAL  O     36 ALA  N                2.70
 33 THR  O     37 ASN  H                1.80
 33 THR  O     37 ASN  N                2.70
 35 ASN  O     38 ALA  H                1.80
 35 ASN  O     38 ALA  N                2.70
 35 ASN  O     39 ASN  H                1.80
 35 ASN  O     39 ASN  N                2.70
 36 ALA  O     40 VAL  H                1.80
 36 ALA  O     40 VAL  N                2.70
 36 ALA  O     39 ASN  H                1.80
 36 ALA  O     39 ASN  N                2.70
 37 ASN  O     41 ALA  H                1.80
 37 ASN  O     41 ALA  N                2.70
 38 ALA  O     41 ALA  H                1.80
 38 ALA  O     41 ALA  N                2.70
 38 ALA  O     42 KSS  H                1.80
 38 ALA  O     42 KSS  N                2.70
 39 ASN  O     42 KSS  H                1.80
 39 ASN  O     42 KSS  N                2.70
 40 VAL  O     43 THR  H                1.80
 40 VAL  O     43 THR  N                2.70
 41 ALA  O     44 ALA  H                1.80
 41 ALA  O     44 ALA  N                2.70
# Restraints file 2: predtalos.aco
   2   GLY  PHI    -203,4   -86,2
   2   GLY  PSI      88,1   222,0
   3   CYSS  PHI   -155,0  -100,5
   3   CYSS  PSI    114,9   157,5
   4   VAL  PHI    -167,1   -61,9
   4   VAL  PSI     106,2   171,2
   5   CYSS  PHI    -158,0  -109,4
   5   CYSS  PSI     118,0   179,6
   8   SER  PHI    -147,0   -27,4
   8   SER  PSI      93,9   184,0
   9   THR  PHI     -79,0   -39,0
   9   THR  PSI     -72,9   -10,0
  10   ALA  PHI     -79,2   -39,2
  10   ALA  PSI     -65,0   -22,0
  11   VAL  PHI     -84,3   -44,3
  11   VAL  PSI     -60,7   -20,7
  13   ASN  PHI     -81,9   -41,9
  13   ASN  PSI     -58,9   -18,9
  14   SER  PHI     -87,1   -41,6
  14   SER  PSI     -65,6   -25,6
  20   ALA  PHI    -115,4   -53,9
  20   ALA  PSI     -69,5    24,5
  21   TYR  PHI    -165,4  -104,4
  21   TYR  PSI     134,4   174,4
  22   CYSS  PHI    -186,6   -68,5
  22   CYSS  PSI     113,5   159,1
  24   GLY  PHI    -162,8   -87,3
  24   GLY  PSI      96,1   166,3
  25   TYR  PHI    -164,1   -42,2
  25   TYR  PSI     106,4   162,1
  33   THR  PHI     -79,3   -39,3
  35   ASN  PHI     -83,4   -43,4
  35   ASN  PSI     -61,2   -21,2
  36   ALA  PHI     -83,1   -43,1
  36   ALA  PSI     -67,9   -27,9
  37   ASN  PHI     -83,4   -43,4
  37   ASN  PSI     -61,8   -21,8
  38   ALA  PHI     -79,5   -39,5
  38   ALA  PSI     -66,4   -20,5
  39   ASN  PHI     -79,3   -39,3
  39   ASN  PSI     -65,6   -20,4
  40   VAL  PHI     -78,3   -38,3
  40   VAL  PSI     -65,9   -25,9
  41   ALA  PHI     -85,9   -45,9
  41   ALA  PSI     -52,4   -12,4
  44   ALA  PHI     -83,4   -43,4
# Restraints file 3: upl.upl
# C3-N16
 3 CYSS SG	16 NSS CA	2.0
# C5-A12
 5 CYSS SG	12 ALS CA	2.0
# C22-K42
 22 CYSS SG	42 KSS CA	2.0
# C26-K34
 26 CYSS SG	34 RSS CA	2.0
# Restraints file 4: final.upl
 35 ASN  H      35 ASN  HB2     3.27            #peak     1 #SUP  0.89  #QF  0.89
 34 RSS  H      35 ASN  H       3.19            #peak     4 #SUP  0.93  #QF  0.93
 35 ASN  H      36 ALA  H       3.05            #peak     5 #SUP  0.96  #QF  0.96
 30 GLY  H      33 THR  H       5.08            #peak     6 #SUP  0.84  #QF  0.30
 33 THR  H      35 ASN  H       5.32            #peak     6 #SUP  0.84  #QF  0.30
 32 VAL  HA     35 ASN  H       3.88            #peak     9 #SUP  0.88  #QF  0.88
 30 GLY  H      31 VAL  HA      5.50            #peak    10 #SUP  0.98  #QF  0.47
 31 VAL  HA     35 ASN  H       5.50            #peak    10 #SUP  0.98  #QF  0.47
 34 RSS  HD3    35 ASN  H       4.77            #peak    11 #SUP  0.77  #QF  0.77
 34 RSS  HB3    35 ASN  H       3.15            #peak    13 #SUP  0.45  #QF  0.45
 35 ASN  H      36 ALA  QB      4.25            #peak    15 #SUP  0.96  #QF  0.96
 34 RSS  HG2    35 ASN  H       4.33            #peak    16 #SUP  0.74  #QF  0.74
 32 VAL  QG1    35 ASN  H       4.52            #peak    18 #SUP  0.53  #QF  0.53
 32 VAL  QG2    35 ASN  H       5.50            #peak    19 #SUP  0.94  #QF  0.94
 34 RSS  HD2    35 ASN  H       4.77            #peak    22 #SUP  0.79  #QF  0.79
 33 THR  HA     35 ASN  H       4.95            #peak    23 #SUP  0.93  #QF  0.93
 11 VAL  H      11 VAL  HB      2.88            #peak    25 #SUP  0.48  #QF  0.48
 11 VAL  H      11 VAL  QG2     3.88            #peak    26 #SUP  0.86  #QF  0.86
 11 VAL  H      11 VAL  QG1     2.68            #peak    27 #SUP  0.74  #QF  0.74
 20 ALA  QB     21 TYR  H       3.72            #peak    28 #SUP  0.99  #QF  0.99
 10 ALA  QB     11 VAL  H       2.93            #peak    29 #SUP  0.75  #QF  0.75
  5 CYSS HB2    11 VAL  H       5.15            #peak    31 #SUP  0.48  #QF  0.48
 21 TYR  H      21 TYR  HB3     4.05            #peak    32 #SUP  0.85  #QF  0.85
 21 TYR  H      21 TYR  HB2     4.05            #peak    33 #SUP  0.88  #QF  0.88
 10 ALA  HA     11 VAL  H       3.55            #peak    39 #SUP  0.65  #QF  0.65
  8 SER  HB3    11 VAL  H       4.02            #peak    41 #SUP  0.46  #QF  0.46
  8 SER  HA     11 VAL  H       5.17            #peak    42 #SUP  0.90  #QF  0.90
 20 ALA  H      21 TYR  H       2.98            #peak    49 #SUP  0.69  #QF  0.69
 20 ALA  H      20 ALA  QB      2.81            #peak    51 #SUP  0.93  #QF  0.93
  9 THR  H      11 VAL  QG1     4.51            #peak    61 #SUP  0.62  #QF  0.62
  9 THR  H       9 THR  HG1     4.21            #peak    62 #SUP  0.36  #QF  0.36
  9 THR  H       9 THR  HB      3.61            #peak    65 #SUP  0.70  #QF  0.70
  8 SER  HB3     9 THR  H       4.04            #peak    69 #SUP  0.39  #QF  0.39
  8 SER  HA      9 THR  H       3.50            #peak    71 #SUP  0.78  #QF  0.78
  2 GLY  H       3 CYSS H       4.14            #peak    74 #SUP  0.47  #QF  0.47
 40 VAL  H      40 VAL  QG2     2.90            #peak    75 #SUP  0.83  #QF  0.83
 40 VAL  H      40 VAL  QG1     3.93            #peak    76 #SUP  0.98  #QF  0.98
  4 VAL  QG1    40 VAL  H       4.16            #peak    77 #SUP  0.50  #QF  0.50
 40 VAL  H      41 ALA  QB      4.68            #peak    78 #SUP  0.95  #QF  0.95
 38 ALA  QB     40 VAL  H       4.67            #peak    79 #SUP  0.41  #QF  0.41
 40 VAL  H      40 VAL  HB      2.93            #peak    80 #SUP  0.87  #QF  0.87
 36 ALA  HA     40 VAL  H       4.97            #peak    85 #SUP  0.66  #QF  0.66
 28 ASN  HA     29 ASN  H       3.30            #peak    89 #SUP  0.62  #QF  0.62
 29 ASN  H      30 GLY  H       4.09            #peak    93 #SUP  0.94  #QF  0.94
  4 VAL  QG1    37 ASN  H       4.54            #peak    94 #SUP  0.67  #QF  0.67
 36 ALA  QB     37 ASN  H       2.79            #peak    96 #SUP  0.67  #QF  0.67
 37 ASN  H      37 ASN  HB3     3.59            #peak    97 #SUP  0.69  #QF  0.69
 35 ASN  HB2    37 ASN  H       5.34            #peak    98 #SUP  0.51  #QF  0.51
 37 ASN  H      37 ASN  HB2     2.86            #peak    99 #SUP  0.85  #QF  0.85
 24 GLY  HA3    37 ASN  H       4.79            #peak   100 #SUP  0.82  #QF  0.82
 33 THR  HA     37 ASN  H       4.07            #peak   101 #SUP  0.61  #QF  0.61
 24 GLY  HA2    37 ASN  H       5.50            #peak   104 #SUP  0.95  #QF  0.95
 37 ASN  H      38 ALA  H       3.11            #peak   107 #SUP  0.96  #QF  0.96
 36 ALA  H      37 ASN  H       2.98            #peak   108 #SUP  0.99  #QF  0.99
  4 VAL  QG1     5 CYSS H       3.64            #peak   109 #SUP  0.82  #QF  0.82
 11 VAL  QG1    12 ALS  H       3.32            #peak   110 #SUP  0.54  #QF  0.54
  5 CYSS H       5 CYSS HB2     3.18            #peak   111 #SUP  0.56  #QF  0.56
 42 KSS  H      43 THR  H       3.40            #peak   115 #SUP  0.99  #QF  0.99
 42 KSS  H      44 ALA  H       4.25            #peak   116 #SUP  0.96  #QF  0.96
 33 THR  H      34 RSS  H       2.89            #peak   121 #SUP  0.94  #QF  0.94
 11 VAL  H      12 ALS  H       2.86            #peak   123 #SUP  0.74  #QF  0.74
 22 CYSS HA     42 KSS  H       4.63            #peak   126 #SUP  0.44  #QF  0.44
 39 ASN  HA     42 KSS  H       3.89            #peak   128 #SUP  0.74  #QF  0.74
 23 VAL  HA     24 GLY  H       2.81            #peak   129 #SUP  0.53  #QF  0.22
  4 VAL  HA      5 CYSS H       2.52            #peak   130 #SUP  0.49  #QF  0.49
 33 THR  HB     34 RSS  H       2.82            #peak   138 #SUP  0.59  #QF  0.59
 31 VAL  HA     34 RSS  H       3.58            #peak   139 #SUP  0.70  #QF  0.70
 22 CYSS HB3    42 KSS  H       2.91            #peak   141 #SUP  0.33  #QF  0.33
 32 VAL  HB     34 RSS  H       5.06            #peak   148 #SUP  0.57  #QF  0.57
 24 GLY  H      38 ALA  QB      3.40            #peak   151 #SUP  0.27  #QF  0.27
 38 ALA  QB     42 KSS  H       3.98            #peak   152 #SUP  0.48  #QF  0.48
 41 ALA  QB     42 KSS  H       2.99            #peak   153 #SUP  0.76  #QF  0.76
 17 ALA  QB     18 GLY  H       3.96            #peak   154 #SUP  0.88  #QF  0.88
 23 VAL  QG2    24 GLY  H       4.11            #peak   155 #SUP  0.58  #QF  0.58
 33 THR  HG1    34 RSS  H       3.70            #peak   156 #SUP  0.40  #QF  0.40
 23 VAL  QG1    24 GLY  H       3.40            #peak   157 #SUP  0.37  #QF  0.37
 11 VAL  QG2    12 ALS  H       3.84            #peak   158 #SUP  0.59  #QF  0.59
 32 VAL  QG1    33 THR  H       3.30            #peak   160 #SUP  0.93  #QF  0.93
 33 THR  H      33 THR  HG1     3.24            #peak   161 #SUP  0.46  #QF  0.46
 33 THR  H      36 ALA  QB      4.76            #peak   162 #SUP  0.64  #QF  0.64
 32 VAL  HB     33 THR  H       2.77            #peak   163 #SUP  0.73  #QF  0.73
 29 ASN  HB2    33 THR  H       5.50            #peak   167 #SUP  0.35  #QF  0.35
 29 ASN  HB3    33 THR  H       5.50            #peak   168 #SUP  0.86  #QF  0.86
 31 VAL  HA     33 THR  H       4.94            #peak   169 #SUP  0.99  #QF  0.99
 33 THR  H      33 THR  HB      3.22            #peak   171 #SUP  0.88  #QF  0.88
 30 GLY  HA3    33 THR  H       4.44            #peak   173 #SUP  0.46  #QF  0.46
 32 VAL  H      33 THR  H       3.36            #peak   174 #SUP  0.69  #QF  0.69
 11 VAL  QG2    14 SER  H       4.61            #peak   177 #SUP  0.94  #QF  0.94
 11 VAL  QG1    14 SER  H       4.98            #peak   178 #SUP  0.85  #QF  0.85
 10 ALA  QB     14 SER  H       5.26            #peak   179 #SUP  0.77  #QF  0.77
 11 VAL  HA     14 SER  H       3.51            #peak   182 #SUP  0.58  #QF  0.58
 10 ALA  HA     14 SER  H       4.50            #peak   184 #SUP  0.86  #QF  0.86
 13 ASN  HD21   14 SER  H       5.03            #peak   187 #SUP  0.98  #QF  0.98
 13 ASN  H      14 SER  H       2.99            #peak   190 #SUP  0.36  #QF  0.36
 12 ALS  H      14 SER  H       4.54            #peak   191 #SUP  0.48  #QF  0.48
  4 VAL  QG1    37 ASN  HD21    4.04            #peak   192 #SUP  0.90  #QF  0.90
 37 ASN  HB3    37 ASN  HD21    3.46            #peak   194 #SUP  0.73  #QF  0.73
 37 ASN  HB2    37 ASN  HD21    3.40            #peak   195 #SUP  0.95  #QF  0.95
  6 SER  HB3    37 ASN  HD21    5.34            #peak   196 #SUP  0.78  #QF  0.34
 24 GLY  HA3    37 ASN  HD21    5.50            #peak   196 #SUP  0.78  #QF  0.34
  6 SER  HB2    37 ASN  HD21    5.34            #peak   197 #SUP  0.90  #QF  0.90
 37 ASN  HA     37 ASN  HD21    4.91            #peak   198 #SUP  0.95  #QF  0.95
  6 SER  HA     37 ASN  HD21    4.88            #peak   199 #SUP  0.68  #QF  0.68
 24 GLY  HA2    37 ASN  HD21    5.02            #peak   201 #SUP  0.92  #QF  0.92
  5 CYSS HA     37 ASN  HD21    4.22            #peak   202 #SUP  0.91  #QF  0.91
  6 SER  H      37 ASN  HD21    4.08            #peak   204 #SUP  0.96  #QF  0.96
 37 ASN  H      37 ASN  HD21    4.88            #peak   205 #SUP  0.93  #QF  0.93
  4 VAL  H       4 VAL  QG1     3.30            #peak   207 #SUP  0.71  #QF  0.71
  4 VAL  H      41 ALA  QB      3.26            #peak   208 #SUP  0.60  #QF  0.60
  4 VAL  H       4 VAL  HB      3.11            #peak   209 #SUP  0.59  #QF  0.59
  4 VAL  H      23 VAL  HB      4.30            #peak   210 #SUP  0.43  #QF  0.43
  3 CYSS HB3    16 NSS  HD21    3.60            #peak   211 #SUP  0.88  #QF  0.88
  3 CYSS HB2    16 NSS  HD21    3.60            #peak   212 #SUP  0.82  #QF  0.82
  4 VAL  H      41 ALA  HA      4.87            #peak   213 #SUP  0.97  #QF  0.97
 13 ASN  HA     16 NSS  HD21    4.00            #peak   215 #SUP  0.76  #QF  0.76
  4 VAL  H      24 GLY  HA2     4.06            #peak   216 #SUP  0.47  #QF  0.47
  3 CYSS HA      4 VAL  H       2.81            #peak   217 #SUP  0.95  #QF  0.95
 14 SER  HA     16 NSS  H       5.48            #peak   227 #SUP  0.74  #QF  0.74
 13 ASN  HA     16 NSS  H       3.70            #peak   229 #SUP  0.48  #QF  0.48
 14 SER  H      16 NSS  H       4.75            #peak   231 #SUP  0.86  #QF  0.86
 16 NSS  H      16 NSS  HD21    4.43            #peak   232 #SUP  0.81  #QF  0.81
 22 CYSS HA     23 VAL  H       3.10            #peak   236 #SUP  0.34  #QF  0.34
 10 ALA  HA     13 ASN  H       4.09            #peak   237 #SUP  0.34  #QF  0.34
 23 VAL  H      41 ALA  HA      4.49            #peak   238 #SUP  0.69  #QF  0.69
 11 VAL  HA     13 ASN  H       4.63            #peak   240 #SUP  0.41  #QF  0.41
 13 ASN  H      13 ASN  HB3     2.54            #peak   243 #SUP  0.23  #QF  0.23
 22 CYSS HB3    23 VAL  H       4.59            #peak   244 #SUP  0.70  #QF  0.70
 23 VAL  H      23 VAL  HB      3.33            #peak   246 #SUP  0.49  #QF  0.49
 23 VAL  H      23 VAL  QG2     3.45            #peak   248 #SUP  0.86  #QF  0.86
 23 VAL  H      41 ALA  QB      3.31            #peak   249 #SUP  0.56  #QF  0.56
 23 VAL  H      23 VAL  QG1     4.20            #peak   251 #SUP  0.90  #QF  0.90
  4 VAL  QG1    23 VAL  H       4.81            #peak   252 #SUP  0.25  #QF  0.25
  3 CYSS HA     23 VAL  H       4.02            #peak   253 #SUP  0.97  #QF  0.97
 11 VAL  H      13 ASN  H       4.34            #peak   257 #SUP  0.23  #QF  0.23
 12 ALS  H      13 ASN  H       3.37            #peak   259 #SUP  0.22  #QF  0.22
 31 VAL  H      31 VAL  QG2     3.26            #peak   261 #SUP  0.44  #QF  0.44
 31 VAL  H      32 VAL  QG2     5.50            #peak   262 #SUP  0.43  #QF  0.43
 31 VAL  H      31 VAL  HB      2.82            #peak   263 #SUP  0.72  #QF  0.72
 30 GLY  HA2    31 VAL  H       2.79            #peak   266 #SUP  0.74  #QF  0.74
 30 GLY  HA3    31 VAL  H       2.90            #peak   267 #SUP  0.87  #QF  0.87
 31 VAL  H      32 VAL  H       3.62            #peak   269 #SUP  0.85  #QF  0.85
 31 VAL  H      34 RSS  H       5.21            #peak   270 #SUP  0.75  #QF  0.75
 35 ASN  H      36 ALA  HA      5.25            #peak   271 #SUP  0.97  #QF  0.97
  4 VAL  H       5 CYSS H       4.72            #peak   277 #SUP  0.66  #QF  0.66
 37 ASN  H      37 ASN  HD22    5.13            #peak   279 #SUP  0.98  #QF  0.98
  5 CYSS H      37 ASN  HD22    5.21            #peak   280 #SUP  0.97  #QF  0.97
  5 CYSS HA     37 ASN  HD22    4.73            #peak   283 #SUP  0.95  #QF  0.95
  6 SER  HA     37 ASN  HD22    4.20            #peak   285 #SUP  0.95  #QF  0.95
 37 ASN  HA     37 ASN  HD22    4.83            #peak   286 #SUP  0.74  #QF  0.74
  6 SER  HB2    37 ASN  HD22    4.60            #peak   287 #SUP  0.96  #QF  0.96
  6 SER  HB3    37 ASN  HD22    4.60            #peak   288 #SUP  0.95  #QF  0.95
 37 ASN  HB3    37 ASN  HD22    4.01            #peak   290 #SUP  0.85  #QF  0.85
  4 VAL  QG1    37 ASN  HD22    4.15            #peak   291 #SUP  0.92  #QF  0.92
 44 ALA  H      44 ALA  QB      2.68            #peak   293 #SUP  0.80  #QF  0.80
 43 THR  HG1    44 ALA  H       4.81            #peak   294 #SUP  0.49  #QF  0.49
 40 VAL  QG1    44 ALA  H       4.86            #peak   295 #SUP  0.66  #QF  0.66
 41 ALA  HA     44 ALA  H       3.56            #peak   298 #SUP  0.37  #QF  0.37
 40 VAL  HA     44 ALA  H       4.54            #peak   299 #SUP  0.24  #QF  0.24
  1 TRP  HZ3    16 NSS  HD21    4.48            #peak   308 #SUP  0.94  #QF  0.94
 43 THR  H      43 THR  HG1     3.12            #peak   322 #SUP  0.53  #QF  0.53
 41 ALA  QB     43 THR  H       4.54            #peak   323 #SUP  0.84  #QF  0.67
 43 THR  H      44 ALA  QB      4.81            #peak   323 #SUP  0.84  #QF  0.67
 22 CYSS HB3    43 THR  H       5.00            #peak   327 #SUP  0.42  #QF  0.42
 40 VAL  HA     43 THR  H       4.30            #peak   328 #SUP  0.51  #QF  0.51
 41 ALA  HA     43 THR  H       4.82            #peak   329 #SUP  0.52  #QF  0.52
 43 THR  H      43 THR  HB      3.82            #peak   331 #SUP  0.29  #QF  0.29
 41 ALA  H      43 THR  H       4.28            #peak   332 #SUP  0.81  #QF  0.81
 21 TYR  QD     22 CYSS H       4.28            #peak   334 #SUP  0.98  #QF  0.98
 20 ALA  H      21 TYR  QD      3.87            #peak   336 #SUP  0.93  #QF  0.93
 21 TYR  H      21 TYR  QD      3.59            #peak   337 #SUP  0.97  #QF  0.97
 21 TYR  HA     21 TYR  QD      3.16            #peak   339 #SUP  0.87  #QF  0.87
 17 ALA  HA     21 TYR  QD      5.35            #peak   340 #SUP  0.72  #QF  0.72
 18 GLY  HA2    21 TYR  QD      4.68            #peak   341 #SUP  0.94  #QF  0.94
 18 GLY  HA3    21 TYR  QD      4.68            #peak   342 #SUP  0.44  #QF  0.44
 17 ALA  QB     21 TYR  QD      4.07            #peak   345 #SUP  0.76  #QF  0.76
 20 ALA  QB     21 TYR  QD      3.48            #peak   347 #SUP  0.96  #QF  0.96
  5 CYSS HB3    25 TYR  QD      4.23            #peak   351 #SUP  0.29  #QF  0.29
  4 VAL  QG1    25 TYR  H       4.63            #peak   354 #SUP  0.79  #QF  0.79
 23 VAL  QG1    25 TYR  H       4.48            #peak   355 #SUP  0.54  #QF  0.54
  4 VAL  HB     25 TYR  H       5.50            #peak   356 #SUP  0.70  #QF  0.70
 25 TYR  H      37 ASN  HB3     3.96            #peak   358 #SUP  0.36  #QF  0.36
 24 GLY  HA3    25 TYR  H       3.52            #peak   360 #SUP  0.75  #QF  0.75
 24 GLY  HA2    25 TYR  H       2.96            #peak   362 #SUP  0.78  #QF  0.78
  5 CYSS HA     25 TYR  H       3.41            #peak   363 #SUP  0.66  #QF  0.66
 25 TYR  H      37 ASN  HD21    4.30            #peak   364 #SUP  0.93  #QF  0.93
 25 TYR  H      37 ASN  HD22    4.88            #peak   365 #SUP  0.90  #QF  0.90
  4 VAL  H      25 TYR  H       4.77            #peak   368 #SUP  0.74  #QF  0.74
  6 SER  H      25 TYR  H       4.63            #peak   369 #SUP  0.70  #QF  0.70
  5 CYSS H       6 SER  H       4.77            #peak   370 #SUP  0.86  #QF  0.73
 40 VAL  H      42 KSS  H       5.06            #peak   370 #SUP  0.86  #QF  0.73
  6 SER  H      25 TYR  QE      4.98            #peak   372 #SUP  0.77  #QF  0.77
  6 SER  H      37 ASN  HD22    3.81            #peak   374 #SUP  0.97  #QF  0.97
  5 CYSS HA      6 SER  H       2.82            #peak   375 #SUP  0.85  #QF  0.85
  6 SER  H       6 SER  HB2     3.56            #peak   378 #SUP  0.89  #QF  0.89
  5 CYSS HB3     6 SER  H       3.21            #peak   379 #SUP  0.78  #QF  0.65
  6 SER  H       6 SER  HB3     3.56            #peak   379 #SUP  0.78  #QF  0.65
  5 CYSS HB2     6 SER  H       4.00            #peak   380 #SUP  0.83  #QF  0.83
  6 SER  H      11 VAL  QG2     4.97            #peak   382 #SUP  0.62  #QF  0.62
  4 VAL  QG1     6 SER  H       5.14            #peak   383 #SUP  0.93  #QF  0.93
 41 ALA  H      41 ALA  QB      2.64            #peak   384 #SUP  0.88  #QF  0.88
 38 ALA  H      38 ALA  QB      2.78            #peak   385 #SUP  0.71  #QF  0.71
  4 VAL  QG1    41 ALA  H       3.23            #peak   386 #SUP  0.45  #QF  0.45
 40 VAL  QG1    41 ALA  H       3.80            #peak   387 #SUP  0.90  #QF  0.90
 40 VAL  QG2    41 ALA  H       3.97            #peak   388 #SUP  0.93  #QF  0.93
  4 VAL  HB     41 ALA  H       4.25            #peak   389 #SUP  0.52  #QF  0.52
 40 VAL  HB     41 ALA  H       2.89            #peak   390 #SUP  0.72  #QF  0.72
 37 ASN  HB3    38 ALA  H       3.96            #peak   392 #SUP  0.68  #QF  0.68
 22 CYSS HB3    41 ALA  H       4.86            #peak   393 #SUP  0.75  #QF  0.75
 37 ASN  HB2    38 ALA  H       3.50            #peak   394 #SUP  0.90  #QF  0.90
 24 GLY  HA3    38 ALA  H       3.54            #peak   395 #SUP  0.63  #QF  0.63
 41 ALA  H      41 ALA  HA      2.92            #peak   396 #SUP  0.73  #QF  0.73
 39 ASN  HA     41 ALA  H       4.43            #peak   402 #SUP  0.53  #QF  0.53
 24 GLY  HA2    38 ALA  H       4.30            #peak   403 #SUP  0.89  #QF  0.89
 40 VAL  H      41 ALA  H       3.05            #peak   405 #SUP  0.97  #QF  0.97
 41 ALA  H      42 KSS  H       3.11            #peak   408 #SUP  0.96  #QF  0.96
  3 CYSS H       4 VAL  QG1     5.24            #peak   409 #SUP  0.79  #QF  0.79
  3 CYSS H      41 ALA  QB      4.72            #peak   410 #SUP  0.91  #QF  0.87
  3 CYSS H      44 ALA  QB      5.00            #peak   410 #SUP  0.91  #QF  0.87
  3 CYSS H      41 ALA  HA      5.50            #peak   413 #SUP  0.49  #QF  0.49
  3 CYSS H      16 NSS  HD22    4.72            #peak   416 #SUP  0.84  #QF  0.84
  3 CYSS H       4 VAL  H       4.29            #peak   417 #SUP  0.78  #QF  0.78
 13 ASN  HA     16 NSS  HD22    4.20            #peak   422 #SUP  0.73  #QF  0.73
 13 ASN  H      13 ASN  HD22    4.16            #peak   426 #SUP  0.48  #QF  0.48
 13 ASN  HA     13 ASN  HD22    5.16            #peak   428 #SUP  0.81  #QF  0.81
 10 ALA  HA     13 ASN  HD22    3.66            #peak   429 #SUP  0.68  #QF  0.68
 12 ALS  QB     13 ASN  HD22    5.25            #peak   431 #SUP  0.51  #QF  0.51
 32 VAL  QG1    36 ALA  H       4.20            #peak   433 #SUP  0.47  #QF  0.47
 10 ALA  H      11 VAL  QG1     4.31            #peak   434 #SUP  0.55  #QF  0.55
 10 ALA  H      10 ALA  QB      2.81            #peak   435 #SUP  0.70  #QF  0.70
 36 ALA  H      36 ALA  QB      2.51            #peak   436 #SUP  0.87  #QF  0.87
 10 ALA  H      12 ALS  QB      4.91            #peak   437 #SUP  0.24  #QF  0.24
 35 ASN  HB2    36 ALA  H       3.70            #peak   439 #SUP  0.97  #QF  0.97
 35 ASN  HB3    36 ALA  H       3.70            #peak   440 #SUP  0.94  #QF  0.94
 36 ALA  H      37 ASN  HB2     4.98            #peak   441 #SUP  0.75  #QF  0.75
  9 THR  HB     10 ALA  H       4.43            #peak   442 #SUP  0.75  #QF  0.41
 33 THR  HA     36 ALA  H       3.40            #peak   443 #SUP  0.65  #QF  0.65
 36 ALA  H      36 ALA  HA      2.92            #peak   445 #SUP  0.99  #QF  0.99
  8 SER  HB3    10 ALA  H       3.37            #peak   446 #SUP  0.46  #QF  0.46
  8 SER  HA     10 ALA  H       4.71            #peak   447 #SUP  0.83  #QF  0.83
 10 ALA  H      11 VAL  H       3.20            #peak   449 #SUP  0.76  #QF  0.76
 10 ALA  H      12 ALS  H       4.53            #peak   453 #SUP  0.84  #QF  0.75
 34 RSS  H      36 ALA  H       5.03            #peak   453 #SUP  0.84  #QF  0.75
  9 THR  H      10 ALA  H       4.94            #peak   454 #SUP  0.83  #QF  0.83
  6 SER  HB2    29 ASN  HD21    5.50            #peak   459 #SUP  0.97  #QF  0.97
  6 SER  HB3    29 ASN  HD21    5.50            #peak   461 #SUP  0.81  #QF  0.81
 29 ASN  HD21   33 THR  HG1     5.50            #peak   464 #SUP  0.78  #QF  0.78
 17 ALA  H      17 ALA  QB      3.19            #peak   466 #SUP  0.90  #QF  0.90
 17 ALA  H      18 GLY  H       3.25            #peak   468 #SUP  0.73  #QF  0.73
 22 CYSS H      23 VAL  QG2     4.83            #peak   469 #SUP  0.58  #QF  0.58
 21 TYR  HA     22 CYSS H       3.18            #peak   475 #SUP  0.83  #QF  0.83
  6 SER  HA      7 GLY  H       3.01            #peak   477 #SUP  0.57  #QF  0.57
  6 SER  HB2     7 GLY  H       5.21            #peak   479 #SUP  0.96  #QF  0.96
  5 CYSS HB3     7 GLY  H       4.64            #peak   480 #SUP  0.82  #QF  0.52
  6 SER  HB3     7 GLY  H       5.21            #peak   480 #SUP  0.82  #QF  0.52
  8 SER  HA     12 ALS  H       5.50            #peak   484 #SUP  0.30  #QF  0.30
 12 ALS  H      13 ASN  HB3     5.14            #peak   485 #SUP  0.75  #QF  0.75
 34 RSS  H      35 ASN  HB2     5.11            #peak   486 #SUP  0.49  #QF  0.49
 32 VAL  H      34 RSS  H       4.35            #peak   498 #SUP  0.90  #QF  0.90
 32 VAL  H      32 VAL  QG1     3.80            #peak   499 #SUP  0.78  #QF  0.78
 32 VAL  H      32 VAL  QG2     2.59            #peak   500 #SUP  0.66  #QF  0.66
 39 ASN  H      40 VAL  QG2     4.32            #peak   501 #SUP  0.93  #QF  0.93
 39 ASN  H      41 ALA  QB      5.21            #peak   502 #SUP  0.93  #QF  0.93
 38 ALA  QB     39 ASN  H       3.03            #peak   503 #SUP  0.60  #QF  0.60
 31 VAL  HB     32 VAL  H       2.93            #peak   504 #SUP  0.90  #QF  0.22
 32 VAL  H      32 VAL  HB      3.11            #peak   504 #SUP  0.90  #QF  0.22
 39 ASN  H      40 VAL  HB      4.95            #peak   505 #SUP  0.72  #QF  0.72
 32 VAL  H      32 VAL  HA      2.91            #peak   508 #SUP  0.92  #QF  0.92
 39 ASN  H      40 VAL  HA      5.17            #peak   510 #SUP  0.63  #QF  0.63
 30 GLY  HA2    32 VAL  H       4.77            #peak   512 #SUP  0.96  #QF  0.96
 36 ALA  HA     39 ASN  H       3.87            #peak   514 #SUP  0.61  #QF  0.61
 30 GLY  HA3    32 VAL  H       4.01            #peak   515 #SUP  0.84  #QF  0.84
 38 ALA  H      39 ASN  H       3.12            #peak   516 #SUP  0.92  #QF  0.92
 39 ASN  H      40 VAL  H       3.94            #peak   517 #SUP  0.82  #QF  0.82
 39 ASN  H      42 KSS  H       4.94            #peak   520 #SUP  0.98  #QF  0.98
 13 ASN  H      16 NSS  H       5.20            #peak   521 #SUP  0.42  #QF  0.42
  8 SER  H      11 VAL  H       4.70            #peak   522 #SUP  0.94  #QF  0.94
  8 SER  H       8 SER  HB3     4.19            #peak   523 #SUP  0.98  #QF  0.97
  8 SER  H       8 SER  HB2     3.06            #peak   526 #SUP  0.44  #QF  0.44
  5 CYSS HB3     8 SER  H       5.16            #peak   528 #SUP  0.61  #QF  0.61
  5 CYSS HB2     8 SER  H       5.00            #peak   529 #SUP  0.87  #QF  0.87
  8 SER  H      10 ALA  QB      5.44            #peak   531 #SUP  0.88  #QF  0.88
  8 SER  H      11 VAL  QG1     3.26            #peak   532 #SUP  0.66  #QF  0.66
  8 SER  H      11 VAL  QG2     4.21            #peak   533 #SUP  0.76  #QF  0.76
 13 ASN  H      13 ASN  HD21    4.12            #peak   534 #SUP  0.56  #QF  0.56
 12 ALS  H      13 ASN  HD21    4.63            #peak   535 #SUP  0.44  #QF  0.44
 13 ASN  HA     13 ASN  HD21    4.43            #peak   538 #SUP  0.78  #QF  0.78
 15 HIS  HA     15 HIS  HD2     3.86            #peak   539 #SUP  0.46  #QF  0.46
 10 ALA  HA     13 ASN  HD21    4.23            #peak   540 #SUP  0.83  #QF  0.83
 11 VAL  HA     13 ASN  HD21    5.50            #peak   542 #SUP  0.65  #QF  0.65
 13 ASN  HB3    13 ASN  HD21    3.08            #peak   544 #SUP  0.70  #QF  0.70
 11 VAL  QG1    13 ASN  HD21    5.32            #peak   551 #SUP  0.91  #QF  0.91
  6 SER  HB2    29 ASN  HD22    5.50            #peak   556 #SUP  0.99  #QF  0.99
 29 ASN  HD22   33 THR  HG1     5.50            #peak   559 #SUP  0.76  #QF  0.76
 20 ALA  H      21 TYR  QE      4.53            #peak   581 #SUP  1.00
 21 TYR  HA     21 TYR  QE      4.77            #peak   587 #SUP  0.86  #QF  0.86
 20 ALA  QB     21 TYR  QE      3.42            #peak   603 #SUP  0.88  #QF  0.88
 35 ASN  H      35 ASN  HD21    4.19            #peak   604 #SUP  0.99  #QF  0.99
 35 ASN  H      35 ASN  HD22    4.63            #peak   605 #SUP  0.95  #QF  0.95
 35 ASN  HA     35 ASN  HD21    4.35            #peak   606 #SUP  0.95  #QF  0.95
 35 ASN  HA     35 ASN  HD22    4.82            #peak   607 #SUP  0.88  #QF  0.88
 32 VAL  HA     35 ASN  HD21    3.99            #peak   608 #SUP  0.91  #QF  0.91
 32 VAL  HA     35 ASN  HD22    4.74            #peak   609 #SUP  0.97  #QF  0.97
 31 VAL  HA     35 ASN  HD22    5.06            #peak   610 #SUP  0.76  #QF  0.76
 35 ASN  HB3    35 ASN  HD22    4.05            #peak   612 #SUP  0.99  #QF  0.99
 35 ASN  HB2    35 ASN  HD21    3.18            #peak   613 #SUP  0.83  #QF  0.83
 35 ASN  HB2    35 ASN  HD22    3.66            #peak   614 #SUP  0.96  #QF  0.96
 31 VAL  HB     35 ASN  HD22    4.43            #peak   616 #SUP  0.86  #QF  0.86
 31 VAL  HB     35 ASN  HD21    4.58            #peak   617 #SUP  0.89  #QF  0.89
 35 ASN  HD21   36 ALA  QB      5.50            #peak   618 #SUP  0.71  #QF  0.71
 32 VAL  QG2    35 ASN  HD21    4.51            #peak   621 #SUP  0.61  #QF  0.61
 32 VAL  QG2    35 ASN  HD22    5.50            #peak   623 #SUP  0.56  #QF  0.56
  6 SER  HB3    29 ASN  HD22    5.50            #peak   624 #SUP  0.62  #QF  0.62
  4 VAL  QG1     5 CYSS HA      4.81            #peak   625 #SUP  0.93  #QF  0.93
  5 CYSS HA     11 VAL  QG2     4.93            #peak   626 #SUP  0.60  #QF  0.60
  3 CYSS HA      4 VAL  QG1     4.56            #peak   627 #SUP  0.74  #QF  0.74
  3 CYSS HA     23 VAL  QG1     4.73            #peak   628 #SUP  0.77  #QF  0.77
  3 CYSS HA     23 VAL  QG2     4.70            #peak   629 #SUP  0.86  #QF  0.86
  3 CYSS HA     41 ALA  QB      3.90            #peak   630 #SUP  0.93  #QF  0.93
  3 CYSS HA      4 VAL  HB      4.82            #peak   631 #SUP  0.69  #QF  0.69
  3 CYSS HA     23 VAL  HB      3.60            #peak   636 #SUP  0.62  #QF  0.62
  3 CYSS HA      4 VAL  HA      4.76            #peak   640 #SUP  0.93  #QF  0.93
  1 TRP  HZ3    16 NSS  HD22    3.69            #peak   668 #SUP  0.54  #QF  0.54
  1 TRP  HZ3    13 ASN  HA      5.50            #peak   669 #SUP  0.84  #QF  0.84
 15 HIS  HA     15 HIS  HE1     5.22            #peak   686 #SUP  0.42  #QF  0.42
  3 CYSS H       3 CYSS QB      3.45            #peak   412
  3 CYSS QB     16 NSS  H       4.24            #peak   223
  3 CYSS QB     16 NSS  HD21    3.12            #peak   212
  3 CYSS QB     16 NSS  HD22    3.37            #peak   424
  5 CYSS HA     25 TYR  QB      3.48            #peak   633
  6 SER  H      25 TYR  QB      3.85            #peak   381
  6 SER  QB      7 GLY  H       4.34            #peak   479
  6 SER  QB     29 ASN  QD2     3.90            #peak   624
  7 GLY  QA      8 SER  H       3.04            #peak   527
 13 ASN  H      14 SER  QB      4.87            #peak   239
 13 ASN  HD21   14 SER  QB      5.34            #peak   541
 14 SER  H      14 SER  QB      2.72            #peak   183
 14 SER  QB     16 NSS  H       5.21            #peak   226
 15 HIS  QB     16 NSS  H       4.24            #peak   224
 18 GLY  QA     20 ALA  H       4.34            #peak    57
 21 TYR  H      21 TYR  QB      3.32            #peak    32
 21 TYR  QB     22 CYSS H       3.54            #peak   473
 25 TYR  H      25 TYR  QB      3.09            #peak   357
 26 CYSS QB     29 ASN  QD2     4.76            #peak   460
 28 ASN  QB     28 ASN  QD2     2.96            #peak    35
 29 ASN  H      29 ASN  QB      2.93            #peak    82
 29 ASN  H      29 ASN  QD2     3.54            #peak    90
 29 ASN  QB     29 ASN  QD2     2.90            #peak   463
 34 RSS  QD     35 ASN  H       3.91            #peak    22
 34 RSS  QD     35 ASN  HD22    4.75            #peak   611
 36 ALA  HA     39 ASN  QD2     3.86            #peak   659
 36 ALA  QB     39 ASN  QD2     4.26            #peak   665
 39 ASN  H      39 ASN  QB      2.57            #peak   506
 39 ASN  QB     39 ASN  QD2     2.89            #peak   662
 42 KSS  H      42 KSS  QD      4.23            #peak   150
 42 KSS  QB     43 THR  H       3.88            #peak   691
 42 KSS  QD     43 THR  H       4.80            #peak   324
# Restraints file 5: lol.lol
# C3-N16
 3 CYSS SG	16 NSS CA	1.6
# C5-A12
 5 CYSS SG	12 ALS CA	1.6
# C22-K42
 22 CYSS SG	42 KSS CA	1.6
# C26-K34
 26 CYSS SG	34 RSS CA	1.6
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1           H        TRP   1   1.807   0.000   0.856
    2    HA   TRP   1           HA       TRP   1   2.763  -0.846  -1.218
    3    HB2  TRP   1          2HB       TRP   1   0.177   0.228  -2.174
    4    HB3  TRP   1          3HB       TRP   1   1.544   0.436  -3.266
    5    HD1  TRP   1           HD1      TRP   1   0.665  -2.630  -1.053
    6    HE1  TRP   1           HE1      TRP   1   0.522  -4.693  -2.586
    7    HE3  TRP   1           HE3      TRP   1   1.431  -0.346  -5.562
    8    HZ2  TRP   1           HZ2      TRP   1   0.709  -5.275  -5.342
    9    HZ3  TRP   1           HZ3      TRP   1   1.435  -1.727  -7.598
   10    HH2  TRP   1           HH2      TRP   1   1.082  -4.141  -7.488
   11    H    GLY   2           H        GLY   2   4.546   0.337  -0.694
   12    HA2  GLY   2          2HA       GLY   2   4.465   3.225  -1.296
   13    HA3  GLY   2          3HA       GLY   2   5.577   2.471  -0.163
   14    H    CYS   3           H        CYS   3   4.998   3.354  -3.428
   15    HA   CYS   3           HA       CYS   3   7.724   2.539  -4.110
   16    HB2  CYS   3          2HB       CYS   3   5.418   1.215  -5.082
   17    HB3  CYS   3          3HB       CYS   3   6.059   2.169  -6.416
   18    H    VAL   4           H        VAL   4   8.775   4.261  -4.825
   19    HA   VAL   4           HA       VAL   4   7.272   6.313  -6.316
   20    HB   VAL   4           HB       VAL   4   7.947   7.080  -4.049
   21   HG11  VAL   4          1HG1      VAL   4  10.389   5.838  -4.752
   22   HG12  VAL   4          2HG1      VAL   4  10.710   7.561  -4.544
   23   HG13  VAL   4          3HG1      VAL   4   9.964   6.638  -3.239
   24   HG21  VAL   4          1HG2      VAL   4   8.590   9.213  -4.742
   25   HG22  VAL   4          2HG2      VAL   4   9.536   8.592  -6.095
   26   HG23  VAL   4          3HG2      VAL   4   7.775   8.545  -6.156
   27    H    CYS   5           H        CYS   5   8.362   7.379  -8.004
   28    HA   CYS   5           HA       CYS   5  10.963   6.293  -8.801
   29    HB2  CYS   5          2HB       CYS   5   8.585   6.461 -10.664
   30    HB3  CYS   5          3HB       CYS   5  10.207   5.925 -11.093
   31    H    SER   6           H        SER   6  12.236   7.682 -10.002
   32    HA   SER   6           HA       SER   6  11.379  10.472  -9.952
   33    HB2  SER   6          2HB       SER   6  13.550   9.975  -8.961
   34    HB3  SER   6          3HB       SER   6  14.094   9.232 -10.465
   35    HG   SER   6           HG       SER   6  14.606  11.141 -11.147
   36    H    GLY   7           H        GLY   7   9.909   9.434 -11.820
   37    HA2  GLY   7          2HA       GLY   7  10.794  10.699 -14.221
   38    HA3  GLY   7          3HA       GLY   7  10.858   8.948 -14.362
   39    H    SER   8           H        SER   8   8.937   7.753 -14.361
   40    HA   SER   8           HA       SER   8   6.466   9.340 -14.583
   41    HB2  SER   8          2HB       SER   8   7.760   7.796 -16.630
   42    HB3  SER   8          3HB       SER   8   6.203   7.063 -16.246
   43    HG   SER   8           HG       SER   8   6.368   9.842 -16.597
   44    H    THR   9           H        THR   9   4.506   7.745 -14.618
   45    HA   THR   9           HA       THR   9   4.599   6.318 -12.131
   46    HB   THR   9           HB       THR   9   2.180   5.638 -13.123
   47    HG1  THR   9           HG1      THR   9   1.726   6.791 -14.828
   48   HG21  THR   9          1HG2      THR   9   1.960   8.343 -12.235
   49   HG22  THR   9          2HG2      THR   9   3.227   7.541 -11.306
   50   HG23  THR   9          3HG2      THR   9   1.601   6.859 -11.353
   51    H    ALA  10           H        ALA  10   4.407   5.450 -15.544
   52    HA   ALA  10           HA       ALA  10   3.829   2.746 -15.337
   53    HB1  ALA  10          1HB       ALA  10   3.816   3.297 -17.520
   54    HB2  ALA  10          2HB       ALA  10   5.118   4.474 -17.341
   55    HB3  ALA  10          3HB       ALA  10   5.494   2.755 -17.461
   56    H    VAL  11           H        VAL  11   6.920   4.414 -14.997
   57    HA   VAL  11           HA       VAL  11   8.398   1.949 -14.695
   58    HB   VAL  11           HB       VAL  11   9.478   3.883 -15.732
   59   HG11  VAL  11          1HG1      VAL  11  10.109   5.831 -14.363
   60   HG12  VAL  11          2HG1      VAL  11   8.360   5.668 -14.531
   61   HG13  VAL  11          3HG1      VAL  11   9.151   5.185 -13.030
   62   HG21  VAL  11          1HG2      VAL  11  11.401   3.054 -14.995
   63   HG22  VAL  11          2HG2      VAL  11  11.204   3.887 -13.453
   64   HG23  VAL  11          3HG2      VAL  11  10.534   2.271 -13.674
   65    H    ALA  12           H        ALS  12   6.931   4.355 -12.636
   66    HB1  ALA  12          1HB       ALS  12   5.358   4.607 -10.545
   67    HB2  ALA  12          2HB       ALS  12   6.385   4.867  -9.134
   68    HB3  ALA  12          3HB       ALS  12   6.714   5.731 -10.636
   69    H    ASN  13           H        ASN  13   5.276   2.385 -11.546
   70    HA   ASN  13           HA       ASN  13   5.056   0.520  -9.367
   71    HB2  ASN  13          2HB       ASN  13   3.056  -0.194 -10.359
   72    HB3  ASN  13          3HB       ASN  13   3.144   1.510 -10.796
   73   HD21  ASN  13          1HD2      ASN  13   3.831   2.057 -12.929
   74   HD22  ASN  13          2HD2      ASN  13   3.599   0.944 -14.230
   75    H    SER  14           H        SER  14   6.513   0.569 -12.509
   76    HA   SER  14           HA       SER  14   6.642  -2.108 -13.171
   77    HB2  SER  14          2HB       SER  14   7.454  -0.420 -14.697
   78    HB3  SER  14          3HB       SER  14   8.721   0.056 -13.566
   79    HG   SER  14           HG       SER  14   8.878  -1.756 -15.453
   80    H    HIS  15           H        HIS  15   8.547  -0.309 -10.831
   81    HA   HIS  15           HA       HIS  15  10.163  -2.667 -10.232
   82    HB2  HIS  15          2HB       HIS  15  10.598   0.142 -10.092
   83    HB3  HIS  15          3HB       HIS  15  10.724  -0.502  -8.457
   84    HD1  HIS  15           HD1      HIS  15  12.591  -2.318  -8.053
   85    HD2  HIS  15           HD2      HIS  15  12.706  -0.460 -11.767
   86    HE1  HIS  15           HE1      HIS  15  14.858  -2.853  -9.003
   87    H    ASN  16           H        NSS  16   8.356  -0.261  -8.308
   88    HB2  ASN  16          2HB       NSS  16   6.023  -2.066  -8.055
   89    HB3  ASN  16          3HB       NSS  16   6.463  -3.238  -6.816
   90   HD21  ASN  16          1HD2      NSS  16   4.809  -0.183  -7.370
   91   HD22  ASN  16          2HD2      NSS  16   3.713  -0.326  -6.042
   92    H    ALA  17           H        ALA  17   6.785  -2.435  -4.533
   93    HA   ALA  17           HA       ALA  17   8.986  -4.130  -4.006
   94    HB1  ALA  17          1HB       ALA  17  10.385  -2.923  -2.752
   95    HB2  ALA  17          2HB       ALA  17   9.583  -1.511  -3.441
   96    HB3  ALA  17          3HB       ALA  17   9.068  -2.142  -1.877
   97    H    GLY  18           H        GLY  18   6.775  -2.052  -2.114
   98    HA2  GLY  18          2HA       GLY  18   4.756  -3.594  -1.423
   99    HA3  GLY  18          3HA       GLY  18   6.031  -4.382  -0.507
  100    HA   PRO  19           HA       PRO  19   4.103  -0.687   1.787
  101    HB2  PRO  19          2HB       PRO  19   2.638  -2.081   3.599
  102    HB3  PRO  19          3HB       PRO  19   1.991  -1.555   2.041
  103    HG2  PRO  19          2HG       PRO  19   3.047  -4.238   2.846
  104    HG3  PRO  19          3HG       PRO  19   1.608  -3.844   1.888
  105    HD2  PRO  19          2HD       PRO  19   3.933  -4.651   0.759
  106    HD3  PRO  19          3HD       PRO  19   2.827  -3.516  -0.041
  107    H    ALA  20           H        ALA  20   5.687  -3.667   2.565
  108    HA   ALA  20           HA       ALA  20   6.497  -2.735   5.207
  109    HB1  ALA  20          1HB       ALA  20   5.895  -5.036   5.115
  110    HB2  ALA  20          2HB       ALA  20   6.963  -5.323   3.740
  111    HB3  ALA  20          3HB       ALA  20   7.645  -4.960   5.326
  112    H    TYR  21           H        TYR  21   7.720  -2.980   1.976
  113    HA   TYR  21           HA       TYR  21  10.429  -2.309   2.894
  114    HB2  TYR  21          2HB       TYR  21   9.556  -3.128   0.118
  115    HB3  TYR  21          3HB       TYR  21  11.208  -2.982   0.709
  116    HD1  TYR  21           HD1      TYR  21  12.208  -4.717   2.044
  117    HD2  TYR  21           HD2      TYR  21   8.142  -5.008   0.824
  118    HE1  TYR  21           HE1      TYR  21  12.184  -7.085   2.708
  119    HE2  TYR  21           HE2      TYR  21   8.107  -7.377   1.486
  120    HH   TYR  21           HH       TYR  21  10.844  -8.868   3.123
  121    H    CYS  22           H        CYS  22  11.578  -0.583   1.893
  122    HA   CYS  22           HA       CYS  22   9.848   1.447   0.640
  123    HB2  CYS  22          2HB       CYS  22  12.001   1.828   2.726
  124    HB3  CYS  22          3HB       CYS  22  11.304   3.152   1.799
  125    H    VAL  23           H        VAL  23  10.496   2.045  -1.313
  126    HA   VAL  23           HA       VAL  23  13.356   1.812  -1.986
  127    HB   VAL  23           HB       VAL  23  11.034   1.226  -3.829
  128   HG11  VAL  23          1HG1      VAL  23  12.546   1.878  -5.369
  129   HG12  VAL  23          2HG1      VAL  23  13.912   1.675  -4.270
  130   HG13  VAL  23          3HG1      VAL  23  13.222   0.274  -5.089
  131   HG21  VAL  23          1HG2      VAL  23  11.292  -0.570  -2.260
  132   HG22  VAL  23          2HG2      VAL  23  11.960  -1.088  -3.808
  133   HG23  VAL  23          3HG2      VAL  23  13.039  -0.595  -2.503
  134    H    GLY  24           H        GLY  24  14.263   3.475  -3.117
  135    HA2  GLY  24          2HA       GLY  24  12.473   5.664  -3.957
  136    HA3  GLY  24          3HA       GLY  24  13.896   5.992  -2.979
  137    H    TYR  25           H        TYR  25  12.687   5.320  -6.137
  138    HA   TYR  25           HA       TYR  25  15.204   4.835  -7.390
  139    HB2  TYR  25          2HB       TYR  25  12.660   4.436  -8.170
  140    HB3  TYR  25          3HB       TYR  25  12.975   5.959  -8.994
  141    HD1  TYR  25           HD1      TYR  25  13.631   5.749 -11.187
  142    HD2  TYR  25           HD2      TYR  25  14.807   2.746  -8.412
  143    HE1  TYR  25           HE1      TYR  25  14.780   4.539 -12.993
  144    HE2  TYR  25           HE2      TYR  25  15.960   1.528 -10.211
  145    HH   TYR  25           HH       TYR  25  15.751   2.579 -13.569
  146    H    CYS  26           H        CYS  26  16.759   6.293  -7.579
  147    HA   CYS  26           HA       CYS  26  16.006   9.107  -8.029
  148    HB2  CYS  26          2HB       CYS  26  18.293   7.915  -6.471
  149    HB3  CYS  26          3HB       CYS  26  18.322   9.584  -7.030
  150    H    GLY  27           H        GLY  27  17.945  10.346  -9.050
  151    HA2  GLY  27          2HA       GLY  27  19.284   8.680 -11.070
  152    HA3  GLY  27          3HA       GLY  27  18.301  10.038 -11.597
  153    H    ASN  28           H        ASN  28  19.668  11.534 -12.328
  154    HA   ASN  28           HA       ASN  28  22.071  12.129 -10.738
  155    HB2  ASN  28          2HB       ASN  28  23.017  13.102 -12.764
  156    HB3  ASN  28          3HB       ASN  28  22.480  11.454 -13.080
  157   HD21  ASN  28          1HD2      ASN  28  22.920  13.283 -15.100
  158   HD22  ASN  28          2HD2      ASN  28  21.413  13.672 -15.850
  159    H    ASN  29           H        ASN  29  19.671  13.123  -9.796
  160    HA   ASN  29           HA       ASN  29  19.571  15.922 -10.646
  161    HB2  ASN  29          2HB       ASN  29  17.759  14.413  -8.749
  162    HB3  ASN  29          3HB       ASN  29  17.510  16.057  -9.327
  163   HD21  ASN  29          1HD2      ASN  29  16.420  13.068  -9.684
  164   HD22  ASN  29          2HD2      ASN  29  15.941  13.090 -11.344
  165    H    GLY  30           H        GLY  30  20.414  13.891  -7.924
  166    HA2  GLY  30          2HA       GLY  30  22.288  15.325  -6.709
  167    HA3  GLY  30          3HA       GLY  30  20.853  16.198  -6.194
  168    H    VAL  31           H        VAL  31  22.758  14.785  -4.540
  169    HA   VAL  31           HA       VAL  31  21.927  12.265  -3.713
  170    HB   VAL  31           HB       VAL  31  23.044  14.443  -1.942
  171   HG11  VAL  31          1HG1      VAL  31  22.333  11.663  -1.496
  172   HG12  VAL  31          2HG1      VAL  31  24.021  12.000  -1.106
  173   HG13  VAL  31          3HG1      VAL  31  22.734  12.928  -0.335
  174   HG21  VAL  31          1HG2      VAL  31  24.706  14.320  -3.492
  175   HG22  VAL  31          2HG2      VAL  31  25.177  12.951  -2.486
  176   HG23  VAL  31          3HG2      VAL  31  24.282  12.679  -3.981
  177    H    VAL  32           H        VAL  32  20.744  15.458  -2.779
  178    HA   VAL  32           HA       VAL  32  19.119  14.761  -0.639
  179    HB   VAL  32           HB       VAL  32  18.584  16.881  -2.725
  180   HG11  VAL  32          1HG1      VAL  32  17.417  16.373  -0.004
  181   HG12  VAL  32          2HG1      VAL  32  17.366  17.962  -0.770
  182   HG13  VAL  32          3HG1      VAL  32  16.575  16.585  -1.539
  183   HG21  VAL  32          1HG2      VAL  32  19.518  18.227  -0.602
  184   HG22  VAL  32          2HG2      VAL  32  20.410  16.718  -0.407
  185   HG23  VAL  32          3HG2      VAL  32  20.554  17.639  -1.903
  186    H    THR  33           H        THR  33  18.249  14.962  -4.087
  187    HA   THR  33           HA       THR  33  15.586  14.222  -3.894
  188    HB   THR  33           HB       THR  33  17.015  13.076  -6.208
  189    HG1  THR  33           HG1      THR  33  18.127  14.808  -6.671
  190   HG21  THR  33          1HG2      THR  33  14.946  15.232  -6.300
  191   HG22  THR  33          2HG2      THR  33  14.480  13.602  -5.814
  192   HG23  THR  33          3HG2      THR  33  15.204  13.876  -7.398
  193    H    ARG  34           H        RSS  34  18.429  12.128  -4.327
  194    HB2  ARG  34          2HB       RSS  34  19.533   9.825  -4.878
  195    HB3  ARG  34          3HB       RSS  34  19.792  10.418  -3.243
  196    HG2  ARG  34          2HG       RSS  34  18.488   7.792  -3.430
  197    HG3  ARG  34          3HG       RSS  34  20.153   7.859  -4.010
  198    HD2  ARG  34          2HD       RSS  34  20.773   8.957  -1.852
  199    HD3  ARG  34          3HD       RSS  34  19.130   8.653  -1.289
  200    HE   ARG  34           HE       RSS  34  19.703   6.471  -0.928
  201   HH11  ARG  34          1HH2      RSS  34  21.092   4.662  -0.881
  202   HH12  ARG  34          2HH2      RSS  34  22.572   4.701  -1.777
  203   HH21  ARG  34          1HH1      RSS  34  22.067   7.927  -3.028
  204   HH22  ARG  34          2HH1      RSS  34  23.128   6.558  -2.999
  205    H    ASN  35           H        ASN  35  17.654  11.669  -1.718
  206    HA   ASN  35           HA       ASN  35  16.904   9.587   0.137
  207    HB2  ASN  35          2HB       ASN  35  17.346  12.557   0.504
  208    HB3  ASN  35          3HB       ASN  35  16.973  11.444   1.817
  209   HD21  ASN  35          1HD2      ASN  35  19.401  13.043   0.411
  210   HD22  ASN  35          2HD2      ASN  35  20.722  11.988   0.770
  211    H    ALA  36           H        ALA  36  15.434  12.545  -1.159
  212    HA   ALA  36           HA       ALA  36  13.065  12.553   0.269
  213    HB1  ALA  36          1HB       ALA  36  12.183  13.519  -2.056
  214    HB2  ALA  36          2HB       ALA  36  13.225  14.443  -0.972
  215    HB3  ALA  36          3HB       ALA  36  13.918  13.606  -2.361
  216    H    ASN  37           H        ASN  37  13.883  10.767  -2.674
  217    HA   ASN  37           HA       ASN  37  11.362   9.740  -3.271
  218    HB2  ASN  37          2HB       ASN  37  14.149   8.715  -3.764
  219    HB3  ASN  37          3HB       ASN  37  12.736   7.800  -4.283
  220   HD21  ASN  37          1HD2      ASN  37  11.735   8.355  -6.116
  221   HD22  ASN  37          2HD2      ASN  37  12.144   9.724  -7.088
  222    H    ALA  38           H        ALA  38  13.991   8.058  -1.536
  223    HA   ALA  38           HA       ALA  38  12.505   5.850  -0.723
  224    HB1  ALA  38          1HB       ALA  38  14.940   7.168   0.440
  225    HB2  ALA  38          2HB       ALA  38  14.241   5.707   1.138
  226    HB3  ALA  38          3HB       ALA  38  14.837   5.693  -0.522
  227    H    ASN  39           H        ASN  39  12.556   9.086   0.509
  228    HA   ASN  39           HA       ASN  39  11.498   8.528   3.089
  229    HB2  ASN  39          2HB       ASN  39  12.198  10.877   1.527
  230    HB3  ASN  39          3HB       ASN  39  10.707  11.120   2.433
  231   HD21  ASN  39          1HD2      ASN  39  13.691  11.942   2.628
  232   HD22  ASN  39          2HD2      ASN  39  14.029  11.742   4.311
  233    H    VAL  40           H        VAL  40  10.096   9.077  -0.065
  234    HA   VAL  40           HA       VAL  40   7.412   9.414   0.904
  235    HB   VAL  40           HB       VAL  40   8.323   8.753  -1.899
  236   HG11  VAL  40          1HG1      VAL  40   5.974   8.316  -1.587
  237   HG12  VAL  40          2HG1      VAL  40   5.745   9.892  -0.827
  238   HG13  VAL  40          3HG1      VAL  40   6.166   9.790  -2.537
  239   HG21  VAL  40          1HG2      VAL  40   8.417  11.234  -0.337
  240   HG22  VAL  40          2HG2      VAL  40   9.312  10.768  -1.784
  241   HG23  VAL  40          3HG2      VAL  40   7.669  11.392  -1.926
  242    H    ALA  41           H        ALA  41   9.403   6.754  -0.168
  243    HA   ALA  41           HA       ALA  41   7.183   4.907  -0.343
  244    HB1  ALA  41          1HB       ALA  41   8.908   4.485  -1.886
  245    HB2  ALA  41          2HB       ALA  41  10.157   4.597  -0.645
  246    HB3  ALA  41          3HB       ALA  41   9.054   3.221  -0.665
  247    H    LYS  42           H        KSS  42  10.051   5.276   1.739
  248    HB2  LYS  42          2HB       KSS  42  11.044   4.301   5.021
  249    HB3  LYS  42          3HB       KSS  42  11.601   4.727   3.408
  250    HG2  LYS  42          2HG       KSS  42  10.453   6.885   3.593
  251    HG3  LYS  42          3HG       KSS  42   9.933   6.457   5.225
  252    HD2  LYS  42          2HD       KSS  42  12.827   6.522   4.399
  253    HD3  LYS  42          3HD       KSS  42  11.987   7.931   5.051
  254    HE2  LYS  42          2HE       KSS  42  12.156   7.165   7.137
  255    HE3  LYS  42          3HE       KSS  42  11.544   5.578   6.676
  256    HZ1  LYS  42          1HZ       KSS  42  13.634   4.764   6.344
  257    HZ2  LYS  42          2HZ       KSS  42  13.961   5.871   7.581
  258    HZ3  LYS  42          3HZ       KSS  42  14.304   6.273   5.974
  259    H    THR  43           H        THR  43   8.064   6.349   3.336
  260    HA   THR  43           HA       THR  43   6.696   6.009   5.868
  261    HB   THR  43           HB       THR  43   6.317   8.148   3.764
  262    HG1  THR  43           HG1      THR  43   8.203   8.766   4.508
  263   HG21  THR  43          1HG2      THR  43   4.389   8.044   5.184
  264   HG22  THR  43          2HG2      THR  43   5.360   9.424   5.697
  265   HG23  THR  43          3HG2      THR  43   5.394   7.926   6.627
  266    H    ALA  44           H        ALA  44   5.995   5.741   2.438
  267    HA   ALA  44           HA       ALA  44   3.204   5.605   2.553
  268    HB1  ALA  44          1HB       ALA  44   3.734   3.993   0.463
  269    HB2  ALA  44          2HB       ALA  44   3.811   5.754   0.387
  270    HB3  ALA  44          3HB       ALA  44   5.286   4.816   0.623
  Start of MODEL    2
    1    H1   TRP   1           H        TRP   1   1.366   0.746   0.708
    2    HA   TRP   1           HA       TRP   1   3.092  -0.659  -1.223
    3    HB2  TRP   1          2HB       TRP   1   0.429   0.525  -1.467
    4    HB3  TRP   1          3HB       TRP   1   1.543   1.074  -2.715
    5    HD1  TRP   1           HD1      TRP   1   0.843  -2.431  -1.167
    6    HE1  TRP   1           HE1      TRP   1   0.568  -4.100  -3.107
    7    HE3  TRP   1           HE3      TRP   1   1.463   0.780  -5.097
    8    HZ2  TRP   1           HZ2      TRP   1   0.608  -4.061  -5.929
    9    HZ3  TRP   1           HZ3      TRP   1   1.330  -0.116  -7.384
   10    HH2  TRP   1           HH2      TRP   1   0.912  -2.487  -7.790
   11    H    GLY   2           H        GLY   2   4.996   0.398  -0.612
   12    HA2  GLY   2          2HA       GLY   2   5.029   3.315  -1.062
   13    HA3  GLY   2          3HA       GLY   2   6.167   2.450  -0.040
   14    H    CYS   3           H        CYS   3   5.289   3.281  -3.307
   15    HA   CYS   3           HA       CYS   3   7.996   2.559  -4.163
   16    HB2  CYS   3          2HB       CYS   3   5.838   0.993  -4.838
   17    HB3  CYS   3          3HB       CYS   3   5.963   2.076  -6.220
   18    H    VAL   4           H        VAL   4   8.924   4.318  -4.951
   19    HA   VAL   4           HA       VAL   4   7.277   6.218  -6.486
   20    HB   VAL   4           HB       VAL   4   7.830   7.126  -4.243
   21   HG11  VAL   4          1HG1      VAL   4   9.946   6.040  -3.849
   22   HG12  VAL   4          2HG1      VAL   4  10.672   6.877  -5.222
   23   HG13  VAL   4          3HG1      VAL   4  10.173   7.788  -3.796
   24   HG21  VAL   4          1HG2      VAL   4   7.572   8.519  -6.352
   25   HG22  VAL   4          2HG2      VAL   4   8.412   9.280  -5.002
   26   HG23  VAL   4          3HG2      VAL   4   9.331   8.639  -6.363
   27    H    CYS   5           H        CYS   5   8.298   7.287  -8.206
   28    HA   CYS   5           HA       CYS   5  10.998   6.389  -8.912
   29    HB2  CYS   5          2HB       CYS   5   8.698   6.370 -10.873
   30    HB3  CYS   5          3HB       CYS   5  10.349   5.835 -11.169
   31    H    SER   6           H        SER   6  12.231   7.893  -9.933
   32    HA   SER   6           HA       SER   6  11.210  10.596  -9.985
   33    HB2  SER   6          2HB       SER   6  13.651  11.019 -10.818
   34    HB3  SER   6          3HB       SER   6  13.382  10.540  -9.143
   35    HG   SER   6           HG       SER   6  15.025   9.287 -10.046
   36    H    GLY   7           H        GLY   7   9.633   9.924 -11.729
   37    HA2  GLY   7          2HA       GLY   7  10.354  11.085 -14.169
   38    HA3  GLY   7          3HA       GLY   7  10.502   9.343 -14.349
   39    H    SER   8           H        SER   8   8.669   8.068 -14.405
   40    HA   SER   8           HA       SER   8   6.100   9.511 -14.405
   41    HB2  SER   8          2HB       SER   8   7.210   8.653 -16.682
   42    HB3  SER   8          3HB       SER   8   6.425   7.152 -16.193
   43    HG   SER   8           HG       SER   8   4.559   7.995 -16.666
   44    H    THR   9           H        THR   9   4.242   7.771 -14.453
   45    HA   THR   9           HA       THR   9   4.532   6.267 -12.022
   46    HB   THR   9           HB       THR   9   2.189   6.340 -13.933
   47    HG1  THR   9           HG1      THR   9   2.723   7.869 -11.583
   48   HG21  THR   9          1HG2      THR   9   1.509   5.918 -11.182
   49   HG22  THR   9          2HG2      THR   9   2.699   4.717 -11.683
   50   HG23  THR   9          3HG2      THR   9   1.187   4.886 -12.575
   51    H    ALA  10           H        ALA  10   4.251   5.531 -15.458
   52    HA   ALA  10           HA       ALA  10   3.836   2.790 -15.345
   53    HB1  ALA  10          1HB       ALA  10   4.432   2.715 -17.581
   54    HB2  ALA  10          2HB       ALA  10   3.939   4.396 -17.373
   55    HB3  ALA  10          3HB       ALA  10   5.652   3.976 -17.405
   56    H    VAL  11           H        VAL  11   6.814   4.635 -14.991
   57    HA   VAL  11           HA       VAL  11   8.463   2.260 -14.896
   58    HB   VAL  11           HB       VAL  11   9.393   4.296 -15.859
   59   HG11  VAL  11          1HG1      VAL  11   9.943   6.213 -14.371
   60   HG12  VAL  11          2HG1      VAL  11   8.212   5.979 -14.621
   61   HG13  VAL  11          3HG1      VAL  11   8.964   5.461 -13.112
   62   HG21  VAL  11          1HG2      VAL  11  10.623   2.642 -13.998
   63   HG22  VAL  11          2HG2      VAL  11  11.424   3.696 -15.163
   64   HG23  VAL  11          3HG2      VAL  11  11.106   4.271 -13.527
   65    H    ALA  12           H        ALS  12   6.888   4.417 -12.661
   66    HB1  ALA  12          1HB       ALS  12   5.447   4.595 -10.539
   67    HB2  ALA  12          2HB       ALS  12   6.474   4.719  -9.110
   68    HB3  ALA  12          3HB       ALS  12   6.811   5.714 -10.526
   69    H    ASN  13           H        ASN  13   5.326   2.420 -11.613
   70    HA   ASN  13           HA       ASN  13   5.155   0.445  -9.548
   71    HB2  ASN  13          2HB       ASN  13   3.190  -0.289 -10.608
   72    HB3  ASN  13          3HB       ASN  13   3.233   1.439 -10.946
   73   HD21  ASN  13          1HD2      ASN  13   3.913   2.129 -13.035
   74   HD22  ASN  13          2HD2      ASN  13   3.734   1.085 -14.400
   75    H    SER  14           H        SER  14   6.615   0.633 -12.692
   76    HA   SER  14           HA       SER  14   6.824  -2.023 -13.419
   77    HB2  SER  14          2HB       SER  14   8.192   0.452 -14.075
   78    HB3  SER  14          3HB       SER  14   9.299  -0.920 -14.101
   79    HG   SER  14           HG       SER  14   7.311  -0.267 -15.834
   80    H    HIS  15           H        HIS  15   8.725  -0.206 -11.080
   81    HA   HIS  15           HA       HIS  15  10.364  -2.561 -10.514
   82    HB2  HIS  15          2HB       HIS  15  11.048   0.067 -10.655
   83    HB3  HIS  15          3HB       HIS  15  10.779  -0.110  -8.923
   84    HD1  HIS  15           HD1      HIS  15  13.226  -0.764 -11.556
   85    HD2  HIS  15           HD2      HIS  15  12.471  -2.141  -7.709
   86    HE1  HIS  15           HE1      HIS  15  15.339  -1.916 -10.827
   87    H    ASN  16           H        NSS  16   8.593  -0.124  -8.597
   88    HB2  ASN  16          2HB       NSS  16   6.291  -1.952  -8.240
   89    HB3  ASN  16          3HB       NSS  16   6.778  -3.085  -6.982
   90   HD21  ASN  16          1HD2      NSS  16   5.092  -0.046  -7.554
   91   HD22  ASN  16          2HD2      NSS  16   4.022  -0.177  -6.204
   92    H    ALA  17           H        ALA  17   7.144  -2.218  -4.730
   93    HA   ALA  17           HA       ALA  17   9.453  -3.809  -4.224
   94    HB1  ALA  17          1HB       ALA  17  10.105  -1.330  -3.725
   95    HB2  ALA  17          2HB       ALA  17   9.193  -1.597  -2.239
   96    HB3  ALA  17          3HB       ALA  17  10.583  -2.615  -2.615
   97    H    GLY  18           H        GLY  18   7.210  -1.936  -2.167
   98    HA2  GLY  18          2HA       GLY  18   5.263  -3.700  -1.607
   99    HA3  GLY  18          3HA       GLY  18   6.594  -4.329  -0.646
  100    HA   PRO  19           HA       PRO  19   4.201  -0.853   1.547
  101    HB2  PRO  19          2HB       PRO  19   2.867  -2.384   3.349
  102    HB3  PRO  19          3HB       PRO  19   2.199  -1.959   1.769
  103    HG2  PRO  19          2HG       PRO  19   3.542  -4.489   2.638
  104    HG3  PRO  19          3HG       PRO  19   2.089  -4.278   1.643
  105    HD2  PRO  19          2HD       PRO  19   4.518  -4.823   0.577
  106    HD3  PRO  19          3HD       PRO  19   3.306  -3.835  -0.264
  107    H    ALA  20           H        ALA  20   6.163  -3.568   2.357
  108    HA   ALA  20           HA       ALA  20   6.847  -2.416   4.969
  109    HB1  ALA  20          1HB       ALA  20   6.965  -5.142   3.818
  110    HB2  ALA  20          2HB       ALA  20   8.214  -4.702   4.983
  111    HB3  ALA  20          3HB       ALA  20   6.513  -4.611   5.438
  112    H    TYR  21           H        TYR  21   8.075  -2.979   1.782
  113    HA   TYR  21           HA       TYR  21  10.773  -2.174   2.617
  114    HB2  TYR  21          2HB       TYR  21   9.887  -3.298  -0.046
  115    HB3  TYR  21          3HB       TYR  21  11.545  -3.028   0.480
  116    HD1  TYR  21           HD1      TYR  21   8.542  -5.110   0.973
  117    HD2  TYR  21           HD2      TYR  21  12.663  -4.598   1.895
  118    HE1  TYR  21           HE1      TYR  21   8.615  -7.393   1.886
  119    HE2  TYR  21           HE2      TYR  21  12.748  -6.879   2.810
  120    HH   TYR  21           HH       TYR  21   9.932  -9.022   2.668
  121    H    CYS  22           H        CYS  22  11.681  -0.305   1.945
  122    HA   CYS  22           HA       CYS  22   9.988   1.486   0.339
  123    HB2  CYS  22          2HB       CYS  22  12.175   2.139   2.325
  124    HB3  CYS  22          3HB       CYS  22  11.278   3.329   1.387
  125    H    VAL  23           H        VAL  23  10.735   2.377  -1.509
  126    HA   VAL  23           HA       VAL  23  13.568   2.064  -2.193
  127    HB   VAL  23           HB       VAL  23  11.311   1.230  -4.021
  128   HG11  VAL  23          1HG1      VAL  23  12.732   1.560  -5.693
  129   HG12  VAL  23          2HG1      VAL  23  13.989   2.073  -4.565
  130   HG13  VAL  23          3HG1      VAL  23  13.814   0.367  -4.977
  131   HG21  VAL  23          1HG2      VAL  23  12.183  -1.019  -3.798
  132   HG22  VAL  23          2HG2      VAL  23  13.456  -0.447  -2.719
  133   HG23  VAL  23          3HG2      VAL  23  11.769  -0.379  -2.208
  134    H    GLY  24           H        GLY  24  14.331   3.983  -2.770
  135    HA2  GLY  24          2HA       GLY  24  12.466   5.919  -3.991
  136    HA3  GLY  24          3HA       GLY  24  13.858   6.360  -3.013
  137    H    TYR  25           H        TYR  25  12.718   5.544  -6.155
  138    HA   TYR  25           HA       TYR  25  15.176   5.015  -7.427
  139    HB2  TYR  25          2HB       TYR  25  12.614   4.867  -8.221
  140    HB3  TYR  25          3HB       TYR  25  13.051   6.397  -8.974
  141    HD1  TYR  25           HD1      TYR  25  13.705   6.246 -11.172
  142    HD2  TYR  25           HD2      TYR  25  14.600   3.013  -8.555
  143    HE1  TYR  25           HE1      TYR  25  14.752   5.034 -13.038
  144    HE2  TYR  25           HE2      TYR  25  15.650   1.791 -10.414
  145    HH   TYR  25           HH       TYR  25  15.966   3.252 -13.626
  146    H    CYS  26           H        CYS  26  16.855   6.344  -7.498
  147    HA   CYS  26           HA       CYS  26  16.361   9.199  -8.029
  148    HB2  CYS  26          2HB       CYS  26  18.465   8.015  -6.206
  149    HB3  CYS  26          3HB       CYS  26  18.350   9.718  -6.640
  150    H    GLY  27           H        GLY  27  17.194   9.812  -9.907
  151    HA2  GLY  27          2HA       GLY  27  19.822   8.852 -10.716
  152    HA3  GLY  27          3HA       GLY  27  18.489   8.434 -11.782
  153    H    ASN  28           H        ASN  28  20.952  10.402 -11.696
  154    HA   ASN  28           HA       ASN  28  21.494  12.376 -12.685
  155    HB2  ASN  28          2HB       ASN  28  18.737  12.283 -13.919
  156    HB3  ASN  28          3HB       ASN  28  20.148  13.144 -14.525
  157   HD21  ASN  28          1HD2      ASN  28  18.637  11.316 -16.017
  158   HD22  ASN  28          2HD2      ASN  28  19.642   9.962 -16.393
  159    H    ASN  29           H        ASN  29  20.448  12.486 -10.081
  160    HA   ASN  29           HA       ASN  29  19.306  15.188 -10.113
  161    HB2  ASN  29          2HB       ASN  29  18.378  13.154  -8.098
  162    HB3  ASN  29          3HB       ASN  29  17.638  14.693  -8.528
  163   HD21  ASN  29          1HD2      ASN  29  17.100  11.566  -8.676
  164   HD22  ASN  29          2HD2      ASN  29  16.244  11.438 -10.172
  165    H    GLY  30           H        GLY  30  20.517  12.679  -7.875
  166    HA2  GLY  30          2HA       GLY  30  22.828  13.441  -6.983
  167    HA3  GLY  30          3HA       GLY  30  21.893  14.797  -6.369
  168    H    VAL  31           H        VAL  31  22.923  13.889  -4.340
  169    HA   VAL  31           HA       VAL  31  21.895  11.452  -3.264
  170    HB   VAL  31           HB       VAL  31  23.208  13.753  -1.811
  171   HG11  VAL  31          1HG1      VAL  31  23.839  11.532  -0.410
  172   HG12  VAL  31          2HG1      VAL  31  22.467  12.577  -0.036
  173   HG13  VAL  31          3HG1      VAL  31  22.225  11.106  -0.978
  174   HG21  VAL  31          1HG2      VAL  31  24.638  12.891  -3.582
  175   HG22  VAL  31          2HG2      VAL  31  25.269  12.434  -1.999
  176   HG23  VAL  31          3HG2      VAL  31  24.413  11.247  -2.984
  177    H    VAL  32           H        VAL  32  21.154  14.885  -2.780
  178    HA   VAL  32           HA       VAL  32  19.333  14.712  -0.713
  179    HB   VAL  32           HB       VAL  32  19.183  16.561  -3.099
  180   HG11  VAL  32          1HG1      VAL  32  18.015  18.059  -1.434
  181   HG12  VAL  32          2HG1      VAL  32  17.095  16.657  -1.986
  182   HG13  VAL  32          3HG1      VAL  32  17.861  16.641  -0.397
  183   HG21  VAL  32          1HG2      VAL  32  20.655  16.723  -0.483
  184   HG22  VAL  32          2HG2      VAL  32  21.304  16.866  -2.117
  185   HG23  VAL  32          3HG2      VAL  32  20.294  18.151  -1.454
  186    H    THR  33           H        THR  33  18.580  14.656  -4.200
  187    HA   THR  33           HA       THR  33  15.847  14.189  -3.980
  188    HB   THR  33           HB       THR  33  17.218  12.826  -6.223
  189    HG1  THR  33           HG1      THR  33  18.589  14.473  -6.340
  190   HG21  THR  33          1HG2      THR  33  15.393  15.010  -6.813
  191   HG22  THR  33          2HG2      THR  33  14.689  13.831  -5.705
  192   HG23  THR  33          3HG2      THR  33  15.304  13.311  -7.274
  193    H    ARG  34           H        RSS  34  18.516  11.857  -4.214
  194    HB2  ARG  34          2HB       RSS  34  19.458   9.450  -4.595
  195    HB3  ARG  34          3HB       RSS  34  19.694  10.111  -2.983
  196    HG2  ARG  34          2HG       RSS  34  18.172   7.645  -2.938
  197    HG3  ARG  34          3HG       RSS  34  19.753   7.447  -3.696
  198    HD2  ARG  34          2HD       RSS  34  19.716   9.026  -1.209
  199    HD3  ARG  34          3HD       RSS  34  19.319   7.317  -1.032
  200    HE   ARG  34           HE       RSS  34  21.591   7.400  -2.583
  201   HH11  ARG  34          1HH2      RSS  34  23.689   7.163  -1.720
  202   HH12  ARG  34          2HH2      RSS  34  23.974   7.547  -0.056
  203   HH21  ARG  34          1HH1      RSS  34  20.663   8.461   0.600
  204   HH22  ARG  34          2HH1      RSS  34  22.254   8.284   1.265
  205    H    ASN  35           H        ASN  35  17.599  11.600  -1.623
  206    HA   ASN  35           HA       ASN  35  16.602   9.683   0.295
  207    HB2  ASN  35          2HB       ASN  35  17.267  12.623   0.555
  208    HB3  ASN  35          3HB       ASN  35  16.780  11.590   1.895
  209   HD21  ASN  35          1HD2      ASN  35  19.353  12.969   0.534
  210   HD22  ASN  35          2HD2      ASN  35  20.585  11.834   0.957
  211    H    ALA  36           H        ALA  36  15.446  12.662  -1.239
  212    HA   ALA  36           HA       ALA  36  13.041  12.983   0.086
  213    HB1  ALA  36          1HB       ALA  36  12.707  14.622  -1.390
  214    HB2  ALA  36          2HB       ALA  36  14.282  14.186  -2.055
  215    HB3  ALA  36          3HB       ALA  36  12.811  13.521  -2.765
  216    H    ASN  37           H        ASN  37  13.738  10.986  -2.766
  217    HA   ASN  37           HA       ASN  37  11.100  10.086  -3.180
  218    HB2  ASN  37          2HB       ASN  37  13.795   8.995  -3.970
  219    HB3  ASN  37          3HB       ASN  37  12.304   8.153  -4.381
  220   HD21  ASN  37          1HD2      ASN  37  12.020   8.452  -6.477
  221   HD22  ASN  37          2HD2      ASN  37  12.059   9.975  -7.292
  222    H    ALA  38           H        ALA  38  13.851   8.526  -1.539
  223    HA   ALA  38           HA       ALA  38  12.537   6.207  -0.726
  224    HB1  ALA  38          1HB       ALA  38  14.296   6.023   0.991
  225    HB2  ALA  38          2HB       ALA  38  14.943   6.419  -0.602
  226    HB3  ALA  38          3HB       ALA  38  14.796   7.675   0.628
  227    H    ASN  39           H        ASN  39  12.373   9.439   0.516
  228    HA   ASN  39           HA       ASN  39  11.352   8.796   3.094
  229    HB2  ASN  39          2HB       ASN  39  11.753  11.235   1.483
  230    HB3  ASN  39          3HB       ASN  39  10.422  11.316   2.634
  231   HD21  ASN  39          1HD2      ASN  39  13.119  12.606   2.503
  232   HD22  ASN  39          2HD2      ASN  39  13.830  12.286   4.046
  233    H    VAL  40           H        VAL  40   9.917   9.322  -0.055
  234    HA   VAL  40           HA       VAL  40   7.219   9.471   0.918
  235    HB   VAL  40           HB       VAL  40   8.237   8.978  -1.884
  236   HG11  VAL  40          1HG1      VAL  40   5.862   9.993  -2.341
  237   HG12  VAL  40          2HG1      VAL  40   6.057   8.268  -2.023
  238   HG13  VAL  40          3HG1      VAL  40   5.510   9.346  -0.738
  239   HG21  VAL  40          1HG2      VAL  40   8.948  11.105  -1.598
  240   HG22  VAL  40          2HG2      VAL  40   7.256  11.481  -1.922
  241   HG23  VAL  40          3HG2      VAL  40   7.841  11.411  -0.259
  242    H    ALA  41           H        ALA  41   9.322   6.965  -0.368
  243    HA   ALA  41           HA       ALA  41   7.230   4.992  -0.514
  244    HB1  ALA  41          1HB       ALA  41   9.580   5.212  -1.781
  245    HB2  ALA  41          2HB       ALA  41  10.053   4.121  -0.478
  246    HB3  ALA  41          3HB       ALA  41   8.739   3.677  -1.567
  247    H    LYS  42           H        KSS  42  10.097   5.463   1.551
  248    HB2  LYS  42          2HB       KSS  42  11.756   4.640   3.389
  249    HB3  LYS  42          3HB       KSS  42  10.846   6.091   3.788
  250    HG2  LYS  42          2HG       KSS  42  10.480   3.864   5.659
  251    HG3  LYS  42          3HG       KSS  42  12.117   4.518   5.589
  252    HD2  LYS  42          2HD       KSS  42  11.299   6.737   6.069
  253    HD3  LYS  42          3HD       KSS  42   9.627   6.174   5.993
  254    HE2  LYS  42          2HE       KSS  42   9.696   5.645   8.147
  255    HE3  LYS  42          3HE       KSS  42  11.038   4.543   7.846
  256    HZ1  LYS  42          1HZ       KSS  42  12.082   7.114   7.827
  257    HZ2  LYS  42          2HZ       KSS  42  12.323   5.912   8.992
  258    HZ3  LYS  42          3HZ       KSS  42  11.064   7.028   9.175
  259    H    THR  43           H        THR  43   8.023   6.340   3.148
  260    HA   THR  43           HA       THR  43   6.709   5.854   5.695
  261    HB   THR  43           HB       THR  43   6.230   8.056   3.677
  262    HG1  THR  43           HG1      THR  43   8.333   8.105   4.638
  263   HG21  THR  43          1HG2      THR  43   5.447   9.022   6.094
  264   HG22  THR  43          2HG2      THR  43   4.971   7.330   6.234
  265   HG23  THR  43          3HG2      THR  43   4.356   8.313   4.905
  266    H    ALA  44           H        ALA  44   5.972   5.777   2.251
  267    HA   ALA  44           HA       ALA  44   3.180   5.315   2.553
  268    HB1  ALA  44          1HB       ALA  44   3.417   4.494   0.134
  269    HB2  ALA  44          2HB       ALA  44   3.803   6.180   0.478
  270    HB3  ALA  44          3HB       ALA  44   5.100   5.004   0.271
  Start of MODEL    3
    1    H1   TRP   1           H        TRP   1   2.191   0.590   0.731
    2    HA   TRP   1           HA       TRP   1   3.020  -0.791  -1.540
    3    HB2  TRP   1          2HB       TRP   1   0.586   0.941  -1.951
    4    HB3  TRP   1          3HB       TRP   1   1.700   0.565  -3.262
    5    HD1  TRP   1           HD1      TRP   1  -0.456  -1.388  -0.686
    6    HE1  TRP   1           HE1      TRP   1  -1.316  -3.523  -1.838
    7    HE3  TRP   1           HE3      TRP   1   1.883  -0.872  -5.203
    8    HZ2  TRP   1           HZ2      TRP   1  -1.039  -4.817  -4.332
    9    HZ3  TRP   1           HZ3      TRP   1   1.534  -2.602  -6.917
   10    HH2  TRP   1           HH2      TRP   1   0.103  -4.534  -6.488
   11    H    GLY   2           H        GLY   2   4.878   0.278  -0.604
   12    HA2  GLY   2          2HA       GLY   2   5.021   3.170  -1.116
   13    HA3  GLY   2          3HA       GLY   2   6.116   2.258  -0.087
   14    H    CYS   3           H        CYS   3   5.288   3.089  -3.382
   15    HA   CYS   3           HA       CYS   3   8.008   2.339  -4.185
   16    HB2  CYS   3          2HB       CYS   3   5.684   0.970  -4.997
   17    HB3  CYS   3          3HB       CYS   3   6.177   1.947  -6.376
   18    H    VAL   4           H        VAL   4   8.977   4.143  -4.813
   19    HA   VAL   4           HA       VAL   4   7.416   6.114  -6.355
   20    HB   VAL   4           HB       VAL   4   8.031   6.932  -4.090
   21   HG11  VAL   4          1HG1      VAL   4  10.786   7.500  -4.568
   22   HG12  VAL   4          2HG1      VAL   4  10.054   6.590  -3.244
   23   HG13  VAL   4          3HG1      VAL   4  10.520   5.764  -4.732
   24   HG21  VAL   4          1HG2      VAL   4   8.421   9.060  -4.823
   25   HG22  VAL   4          2HG2      VAL   4   9.660   8.557  -5.973
   26   HG23  VAL   4          3HG2      VAL   4   7.955   8.308  -6.348
   27    H    CYS   5           H        CYS   5   8.476   7.195  -8.048
   28    HA   CYS   5           HA       CYS   5  11.120   6.180  -8.810
   29    HB2  CYS   5          2HB       CYS   5   8.810   6.372 -10.750
   30    HB3  CYS   5          3HB       CYS   5  10.423   5.750 -11.079
   31    H    SER   6           H        SER   6  12.352   7.575 -10.089
   32    HA   SER   6           HA       SER   6  11.528  10.364  -9.918
   33    HB2  SER   6          2HB       SER   6  13.754   9.857  -9.111
   34    HB3  SER   6          3HB       SER   6  14.175   9.086 -10.640
   35    HG   SER   6           HG       SER   6  14.827  10.994 -11.208
   36    H    GLY   7           H        GLY   7   9.895   9.446 -11.689
   37    HA2  GLY   7          2HA       GLY   7  10.607  10.765 -14.111
   38    HA3  GLY   7          3HA       GLY   7  10.646   9.020 -14.316
   39    H    SER   8           H        SER   8   8.754   7.882 -14.448
   40    HA   SER   8           HA       SER   8   6.282   9.488 -14.395
   41    HB2  SER   8          2HB       SER   8   7.259   7.420 -16.326
   42    HB3  SER   8          3HB       SER   8   5.524   7.591 -16.064
   43    HG   SER   8           HG       SER   8   6.525   8.912 -17.787
   44    H    THR   9           H        THR   9   4.292   7.953 -14.265
   45    HA   THR   9           HA       THR   9   4.543   6.514 -11.790
   46    HB   THR   9           HB       THR   9   2.061   6.005 -12.245
   47    HG1  THR   9           HG1      THR   9   1.468   6.521 -14.209
   48   HG21  THR   9          1HG2      THR   9   3.069   7.869 -10.806
   49   HG22  THR   9          2HG2      THR   9   1.404   8.076 -11.348
   50   HG23  THR   9          3HG2      THR   9   2.710   8.939 -12.160
   51    H    ALA  10           H        ALA  10   4.155   5.701 -15.181
   52    HA   ALA  10           HA       ALA  10   3.436   3.012 -14.936
   53    HB1  ALA  10          1HB       ALA  10   3.263   4.031 -17.066
   54    HB2  ALA  10          2HB       ALA  10   4.971   4.470 -17.073
   55    HB3  ALA  10          3HB       ALA  10   4.495   2.778 -17.212
   56    H    VAL  11           H        VAL  11   6.599   4.571 -14.863
   57    HA   VAL  11           HA       VAL  11   8.019   2.060 -14.730
   58    HB   VAL  11           HB       VAL  11   9.108   3.922 -15.824
   59   HG11  VAL  11          1HG1      VAL  11   8.131   5.800 -14.736
   60   HG12  VAL  11          2HG1      VAL  11   8.791   5.316 -13.173
   61   HG13  VAL  11          3HG1      VAL  11   9.869   5.879 -14.451
   62   HG21  VAL  11          1HG2      VAL  11  10.258   2.298 -13.912
   63   HG22  VAL  11          2HG2      VAL  11  11.119   3.256 -15.118
   64   HG23  VAL  11          3HG2      VAL  11  10.853   3.906 -13.500
   65    H    ALA  12           H        ALS  12   6.760   4.424 -12.508
   66    HB1  ALA  12          1HB       ALS  12   5.431   4.758 -10.317
   67    HB2  ALA  12          2HB       ALS  12   6.547   4.881  -8.957
   68    HB3  ALA  12          3HB       ALS  12   6.855   5.791 -10.436
   69    H    ASN  13           H        ASN  13   5.135   2.547 -11.324
   70    HA   ASN  13           HA       ASN  13   5.014   0.631  -9.175
   71    HB2  ASN  13          2HB       ASN  13   2.879   0.085  -9.962
   72    HB3  ASN  13          3HB       ASN  13   3.034   1.789 -10.379
   73   HD21  ASN  13          1HD2      ASN  13   3.690   2.292 -12.583
   74   HD22  ASN  13          2HD2      ASN  13   3.188   1.243 -13.861
   75    H    SER  14           H        SER  14   6.076   0.693 -12.484
   76    HA   SER  14           HA       SER  14   5.994  -1.987 -13.171
   77    HB2  SER  14          2HB       SER  14   6.628  -0.477 -14.871
   78    HB3  SER  14          3HB       SER  14   7.924   0.212 -13.893
   79    HG   SER  14           HG       SER  14   9.209  -1.364 -14.473
   80    H    HIS  15           H        HIS  15   8.136  -0.318 -10.991
   81    HA   HIS  15           HA       HIS  15   9.827  -2.692 -10.713
   82    HB2  HIS  15          2HB       HIS  15  10.318   0.096 -10.554
   83    HB3  HIS  15          3HB       HIS  15  10.597  -0.570  -8.947
   84    HD1  HIS  15           HD1      HIS  15  12.287   0.024 -12.035
   85    HD2  HIS  15           HD2      HIS  15  12.426  -2.955  -9.142
   86    HE1  HIS  15           HE1      HIS  15  14.488  -1.144 -12.377
   87    H    ASN  16           H        NSS  16   8.271  -0.354  -8.507
   88    HB2  ASN  16          2HB       NSS  16   5.986  -2.177  -8.035
   89    HB3  ASN  16          3HB       NSS  16   6.572  -3.385  -6.896
   90   HD21  ASN  16          1HD2      NSS  16   4.802  -0.371  -7.194
   91   HD22  ASN  16          2HD2      NSS  16   3.896  -0.542  -5.733
   92    H    ALA  17           H        ALA  17   7.163  -2.653  -4.643
   93    HA   ALA  17           HA       ALA  17   9.528  -4.254  -4.457
   94    HB1  ALA  17          1HB       ALA  17  10.802  -3.124  -2.965
   95    HB2  ALA  17          2HB       ALA  17  10.030  -1.732  -3.726
   96    HB3  ALA  17          3HB       ALA  17   9.414  -2.354  -2.194
   97    H    GLY  18           H        GLY  18   7.224  -2.637  -2.251
   98    HA2  GLY  18          2HA       GLY  18   5.606  -4.818  -1.725
   99    HA3  GLY  18          3HA       GLY  18   6.941  -4.930  -0.588
  100    HA   PRO  19           HA       PRO  19   3.508  -2.044   0.939
  101    HB2  PRO  19          2HB       PRO  19   2.606  -3.611   2.964
  102    HB3  PRO  19          3HB       PRO  19   1.942  -3.680   1.328
  103    HG2  PRO  19          2HG       PRO  19   3.949  -5.475   2.635
  104    HG3  PRO  19          3HG       PRO  19   2.571  -5.901   1.604
  105    HD2  PRO  19          2HD       PRO  19   5.112  -5.807   0.673
  106    HD3  PRO  19          3HD       PRO  19   3.708  -5.406  -0.338
  107    H    ALA  20           H        ALA  20   5.940  -4.054   2.482
  108    HA   ALA  20           HA       ALA  20   6.312  -1.968   4.532
  109    HB1  ALA  20          1HB       ALA  20   7.147  -4.857   4.729
  110    HB2  ALA  20          2HB       ALA  20   7.197  -3.640   6.004
  111    HB3  ALA  20          3HB       ALA  20   5.645  -4.207   5.387
  112    H    TYR  21           H        TYR  21   7.427  -2.188   1.753
  113    HA   TYR  21           HA       TYR  21  10.283  -2.147   2.480
  114    HB2  TYR  21          2HB       TYR  21   8.939  -3.093  -0.046
  115    HB3  TYR  21          3HB       TYR  21  10.647  -2.670  -0.003
  116    HD1  TYR  21           HD1      TYR  21   8.181  -4.803   1.824
  117    HD2  TYR  21           HD2      TYR  21  12.180  -4.340   0.448
  118    HE1  TYR  21           HE1      TYR  21   8.713  -7.065   2.629
  119    HE2  TYR  21           HE2      TYR  21  12.724  -6.601   1.249
  120    HH   TYR  21           HH       TYR  21  10.783  -8.881   1.780
  121    H    CYS  22           H        CYS  22  11.497  -0.426   1.833
  122    HA   CYS  22           HA       CYS  22  10.045   1.764   0.498
  123    HB2  CYS  22          2HB       CYS  22  12.293   1.887   2.518
  124    HB3  CYS  22          3HB       CYS  22  11.628   3.286   1.681
  125    H    VAL  23           H        VAL  23  10.687   2.138  -1.508
  126    HA   VAL  23           HA       VAL  23  13.538   1.817  -2.165
  127    HB   VAL  23           HB       VAL  23  11.220   1.009  -3.927
  128   HG11  VAL  23          1HG1      VAL  23  14.102   1.444  -4.443
  129   HG12  VAL  23          2HG1      VAL  23  13.360   0.024  -5.183
  130   HG13  VAL  23          3HG1      VAL  23  12.715   1.632  -5.516
  131   HG21  VAL  23          1HG2      VAL  23  12.160  -1.260  -3.704
  132   HG22  VAL  23          2HG2      VAL  23  13.329  -0.642  -2.536
  133   HG23  VAL  23          3HG2      VAL  23  11.606  -0.606  -2.162
  134    H    GLY  24           H        GLY  24  14.336   3.739  -2.689
  135    HA2  GLY  24          2HA       GLY  24  12.563   5.664  -4.056
  136    HA3  GLY  24          3HA       GLY  24  13.900   6.117  -3.010
  137    H    TYR  25           H        TYR  25  12.916   5.538  -6.189
  138    HA   TYR  25           HA       TYR  25  15.526   4.954  -7.262
  139    HB2  TYR  25          2HB       TYR  25  13.168   4.332  -8.219
  140    HB3  TYR  25          3HB       TYR  25  13.240   5.941  -8.931
  141    HD1  TYR  25           HD1      TYR  25  14.187   6.179 -11.027
  142    HD2  TYR  25           HD2      TYR  25  15.305   2.841  -8.638
  143    HE1  TYR  25           HE1      TYR  25  15.524   5.298 -12.894
  144    HE2  TYR  25           HE2      TYR  25  16.646   1.951 -10.497
  145    HH   TYR  25           HH       TYR  25  17.781   2.815 -12.528
  146    H    CYS  26           H        CYS  26  17.057   6.444  -7.385
  147    HA   CYS  26           HA       CYS  26  16.274   9.225  -7.972
  148    HB2  CYS  26          2HB       CYS  26  18.686   8.245  -6.430
  149    HB3  CYS  26          3HB       CYS  26  18.306   9.929  -6.775
  150    H    GLY  27           H        GLY  27  17.003  10.079  -9.810
  151    HA2  GLY  27          2HA       GLY  27  18.729   8.503 -11.515
  152    HA3  GLY  27          3HA       GLY  27  17.939  10.015 -11.937
  153    H    ASN  28           H        ASN  28  19.533  11.287 -12.658
  154    HA   ASN  28           HA       ASN  28  22.002  11.466 -11.072
  155    HB2  ASN  28          2HB       ASN  28  22.812  12.709 -13.200
  156    HB3  ASN  28          3HB       ASN  28  22.632  10.959 -13.265
  157   HD21  ASN  28          1HD2      ASN  28  21.312  14.018 -14.259
  158   HD22  ASN  28          2HD2      ASN  28  20.280  13.398 -15.497
  159    H    ASN  29           H        ASN  29  19.711  12.744 -10.098
  160    HA   ASN  29           HA       ASN  29  19.932  15.555 -10.812
  161    HB2  ASN  29          2HB       ASN  29  18.183  14.258  -8.711
  162    HB3  ASN  29          3HB       ASN  29  18.028  15.893  -9.345
  163   HD21  ASN  29          1HD2      ASN  29  16.786  12.883  -9.505
  164   HD22  ASN  29          2HD2      ASN  29  16.081  12.933 -11.082
  165    H    GLY  30           H        GLY  30  20.494  13.459  -8.006
  166    HA2  GLY  30          2HA       GLY  30  22.751  14.525  -7.011
  167    HA3  GLY  30          3HA       GLY  30  21.542  15.667  -6.443
  168    H    VAL  31           H        VAL  31  22.953  14.474  -4.542
  169    HA   VAL  31           HA       VAL  31  21.993  11.979  -3.634
  170    HB   VAL  31           HB       VAL  31  23.131  14.191  -1.923
  171   HG11  VAL  31          1HG1      VAL  31  22.183  12.446  -0.592
  172   HG12  VAL  31          2HG1      VAL  31  22.960  11.203  -1.575
  173   HG13  VAL  31          3HG1      VAL  31  23.937  12.262  -0.558
  174   HG21  VAL  31          1HG2      VAL  31  24.986  13.999  -3.146
  175   HG22  VAL  31          2HG2      VAL  31  25.161  12.386  -2.455
  176   HG23  VAL  31          3HG2      VAL  31  24.361  12.596  -4.013
  177    H    VAL  32           H        VAL  32  20.965  15.297  -3.036
  178    HA   VAL  32           HA       VAL  32  19.230  14.927  -0.913
  179    HB   VAL  32           HB       VAL  32  18.854  16.789  -3.263
  180   HG11  VAL  32          1HG1      VAL  32  16.845  17.093  -2.296
  181   HG12  VAL  32          2HG1      VAL  32  17.356  16.376  -0.767
  182   HG13  VAL  32          3HG1      VAL  32  17.760  18.053  -1.135
  183   HG21  VAL  32          1HG2      VAL  32  21.027  16.960  -2.010
  184   HG22  VAL  32          2HG2      VAL  32  20.045  18.425  -2.011
  185   HG23  VAL  32          3HG2      VAL  32  20.087  17.393  -0.582
  186    H    THR  33           H        THR  33  18.450  14.775  -4.388
  187    HA   THR  33           HA       THR  33  15.762  14.121  -4.168
  188    HB   THR  33           HB       THR  33  17.277  12.779  -6.340
  189    HG1  THR  33           HG1      THR  33  18.475  14.568  -6.474
  190   HG21  THR  33          1HG2      THR  33  15.201  12.819  -7.156
  191   HG22  THR  33          2HG2      THR  33  15.365  14.566  -7.331
  192   HG23  THR  33          3HG2      THR  33  14.658  13.889  -5.865
  193    H    ARG  34           H        RSS  34  18.579  11.961  -4.293
  194    HB2  ARG  34          2HB       RSS  34  19.679   9.607  -4.573
  195    HB3  ARG  34          3HB       RSS  34  19.861  10.346  -2.988
  196    HG2  ARG  34          2HG       RSS  34  18.508   7.770  -2.896
  197    HG3  ARG  34          3HG       RSS  34  20.139   7.683  -3.565
  198    HD2  ARG  34          2HD       RSS  34  21.111   8.517  -1.616
  199    HD3  ARG  34          3HD       RSS  34  19.588   9.189  -1.034
  200    HE   ARG  34           HE       RSS  34  19.406   6.375  -1.237
  201   HH11  ARG  34          1HH2      RSS  34  19.442   5.110   0.661
  202   HH12  ARG  34          2HH2      RSS  34  20.072   5.787   2.124
  203   HH21  ARG  34          1HH1      RSS  34  20.829   8.891   0.703
  204   HH22  ARG  34          2HH1      RSS  34  20.860   7.938   2.150
  205    H    ASN  35           H        ASN  35  17.664  11.749  -1.698
  206    HA   ASN  35           HA       ASN  35  16.787   9.851   0.295
  207    HB2  ASN  35          2HB       ASN  35  17.270  12.835   0.415
  208    HB3  ASN  35          3HB       ASN  35  16.798  11.857   1.801
  209   HD21  ASN  35          1HD2      ASN  35  19.341  13.247   0.336
  210   HD22  ASN  35          2HD2      ASN  35  20.613  12.217   0.890
  211    H    ALA  36           H        ALA  36  15.431  12.648  -1.403
  212    HA   ALA  36           HA       ALA  36  12.987  12.820  -0.083
  213    HB1  ALA  36          1HB       ALA  36  14.174  13.942  -2.407
  214    HB2  ALA  36          2HB       ALA  36  12.546  13.405  -2.820
  215    HB3  ALA  36          3HB       ALA  36  12.791  14.528  -1.482
  216    H    ASN  37           H        ASN  37  13.939  10.814  -2.841
  217    HA   ASN  37           HA       ASN  37  11.400   9.752  -3.409
  218    HB2  ASN  37          2HB       ASN  37  14.198   8.753  -3.914
  219    HB3  ASN  37          3HB       ASN  37  12.783   7.831  -4.414
  220   HD21  ASN  37          1HD2      ASN  37  11.857   8.307  -6.290
  221   HD22  ASN  37          2HD2      ASN  37  12.224   9.686  -7.264
  222    H    ALA  38           H        ALA  38  14.103   8.200  -1.667
  223    HA   ALA  38           HA       ALA  38  12.695   5.974  -0.766
  224    HB1  ALA  38          1HB       ALA  38  15.126   6.128  -0.687
  225    HB2  ALA  38          2HB       ALA  38  15.016   7.364   0.567
  226    HB3  ALA  38          3HB       ALA  38  14.468   5.720   0.898
  227    H    ASN  39           H        ASN  39  12.673   9.245   0.367
  228    HA   ASN  39           HA       ASN  39  11.669   8.731   2.980
  229    HB2  ASN  39          2HB       ASN  39  12.792  10.840   2.406
  230    HB3  ASN  39          3HB       ASN  39  11.485  11.238   1.295
  231   HD21  ASN  39          1HD2      ASN  39  11.242  13.173   2.538
  232   HD22  ASN  39          2HD2      ASN  39  10.351  13.144   4.018
  233    H    VAL  40           H        VAL  40  10.208   9.212  -0.165
  234    HA   VAL  40           HA       VAL  40   7.532   9.487   0.845
  235    HB   VAL  40           HB       VAL  40   8.402   8.826  -1.971
  236   HG11  VAL  40          1HG1      VAL  40   5.835   9.940  -0.848
  237   HG12  VAL  40          2HG1      VAL  40   6.220   9.840  -2.567
  238   HG13  VAL  40          3HG1      VAL  40   6.066   8.367  -1.609
  239   HG21  VAL  40          1HG2      VAL  40   7.638  11.504  -1.831
  240   HG22  VAL  40          2HG2      VAL  40   8.684  11.252  -0.433
  241   HG23  VAL  40          3HG2      VAL  40   9.270  10.874  -2.053
  242    H    ALA  41           H        ALA  41   9.578   6.872  -0.222
  243    HA   ALA  41           HA       ALA  41   7.402   4.968  -0.368
  244    HB1  ALA  41          1HB       ALA  41   9.648   5.023  -1.723
  245    HB2  ALA  41          2HB       ALA  41  10.259   4.125  -0.333
  246    HB3  ALA  41          3HB       ALA  41   8.905   3.490  -1.268
  247    H    LYS  42           H        KSS  42  10.281   5.425   1.682
  248    HB2  LYS  42          2HB       KSS  42  11.329   4.500   4.963
  249    HB3  LYS  42          3HB       KSS  42  11.865   4.914   3.340
  250    HG2  LYS  42          2HG       KSS  42  11.879   7.001   4.163
  251    HG3  LYS  42          3HG       KSS  42  10.153   6.940   3.803
  252    HD2  LYS  42          2HD       KSS  42  10.300   7.739   6.013
  253    HD3  LYS  42          3HD       KSS  42   9.850   6.039   6.163
  254    HE2  LYS  42          2HE       KSS  42  12.631   6.033   6.133
  255    HE3  LYS  42          3HE       KSS  42  12.202   7.426   7.125
  256    HZ1  LYS  42          1HZ       KSS  42  12.428   5.330   8.387
  257    HZ2  LYS  42          2HZ       KSS  42  11.113   4.695   7.533
  258    HZ3  LYS  42          3HZ       KSS  42  10.899   6.036   8.542
  259    H    THR  43           H        THR  43   8.239   6.418   3.244
  260    HA   THR  43           HA       THR  43   6.982   6.202   5.828
  261    HB   THR  43           HB       THR  43   5.569   8.127   4.969
  262    HG1  THR  43           HG1      THR  43   7.466   8.186   2.853
  263   HG21  THR  43          1HG2      THR  43   8.568   8.262   5.122
  264   HG22  THR  43          2HG2      THR  43   7.379   8.716   6.344
  265   HG23  THR  43          3HG2      THR  43   7.585   9.709   4.901
  266    H    ALA  44           H        ALA  44   6.142   5.497   2.489
  267    HA   ALA  44           HA       ALA  44   3.388   4.907   3.089
  268    HB1  ALA  44          1HB       ALA  44   4.992   4.319   0.603
  269    HB2  ALA  44          2HB       ALA  44   3.238   4.212   0.760
  270    HB3  ALA  44          3HB       ALA  44   4.041   5.776   0.897
  Start of MODEL    4
    1    H1   TRP   1           H        TRP   1   1.176   0.331   0.604
    2    HA   TRP   1           HA       TRP   1   2.225  -0.595  -1.464
    3    HB2  TRP   1          2HB       TRP   1   0.374   1.470  -2.668
    4    HB3  TRP   1          3HB       TRP   1   1.682   0.692  -3.554
    5    HD1  TRP   1           HD1      TRP   1  -1.429  -0.462  -1.522
    6    HE1  TRP   1           HE1      TRP   1  -2.443  -2.497  -2.730
    7    HE3  TRP   1           HE3      TRP   1   1.960  -0.922  -5.322
    8    HZ2  TRP   1           HZ2      TRP   1  -1.880  -4.087  -4.993
    9    HZ3  TRP   1           HZ3      TRP   1   1.650  -2.727  -6.966
   10    HH2  TRP   1           HH2      TRP   1  -0.230  -4.276  -6.803
   11    H    GLY   2           H        GLY   2   4.260   0.106  -1.526
   12    HA2  GLY   2          2HA       GLY   2   4.748   3.004  -1.253
   13    HA3  GLY   2          3HA       GLY   2   5.636   1.844  -0.275
   14    H    CYS   3           H        CYS   3   5.171   3.137  -3.491
   15    HA   CYS   3           HA       CYS   3   7.875   2.309  -4.183
   16    HB2  CYS   3          2HB       CYS   3   5.638   0.872  -5.118
   17    HB3  CYS   3          3HB       CYS   3   6.192   1.847  -6.475
   18    H    VAL   4           H        VAL   4   8.832   4.130  -4.778
   19    HA   VAL   4           HA       VAL   4   7.290   6.078  -6.367
   20    HB   VAL   4           HB       VAL   4   7.922   6.893  -4.103
   21   HG11  VAL   4          1HG1      VAL   4  10.670   7.464  -4.594
   22   HG12  VAL   4          2HG1      VAL   4   9.951   6.538  -3.276
   23   HG13  VAL   4          3HG1      VAL   4  10.410   5.730  -4.775
   24   HG21  VAL   4          1HG2      VAL   4   8.726   9.042  -4.831
   25   HG22  VAL   4          2HG2      VAL   4   9.343   8.348  -6.331
   26   HG23  VAL   4          3HG2      VAL   4   7.605   8.413  -6.039
   27    H    CYS   5           H        CYS   5   8.358   7.162  -8.058
   28    HA   CYS   5           HA       CYS   5  11.003   6.162  -8.820
   29    HB2  CYS   5          2HB       CYS   5   8.673   6.241 -10.746
   30    HB3  CYS   5          3HB       CYS   5  10.305   5.673 -11.083
   31    H    SER   6           H        SER   6  12.241   7.591  -9.994
   32    HA   SER   6           HA       SER   6  11.316  10.346  -9.959
   33    HB2  SER   6          2HB       SER   6  13.543   9.890  -9.082
   34    HB3  SER   6          3HB       SER   6  14.023   9.156 -10.613
   35    HG   SER   6           HG       SER   6  13.129  11.834 -10.413
   36    H    GLY   7           H        GLY   7   9.727   9.548 -11.720
   37    HA2  GLY   7          2HA       GLY   7  10.472  10.754 -14.158
   38    HA3  GLY   7          3HA       GLY   7  10.571   9.008 -14.332
   39    H    SER   8           H        SER   8   8.703   7.783 -14.376
   40    HA   SER   8           HA       SER   8   6.183   9.312 -14.429
   41    HB2  SER   8          2HB       SER   8   7.415   7.802 -16.524
   42    HB3  SER   8          3HB       SER   8   5.918   6.995 -16.055
   43    HG   SER   8           HG       SER   8   6.306   9.572 -17.100
   44    H    THR   9           H        THR   9   4.253   7.681 -14.361
   45    HA   THR   9           HA       THR   9   4.501   6.263 -11.873
   46    HB   THR   9           HB       THR   9   2.037   5.840 -13.427
   47    HG1  THR   9           HG1      THR   9   3.075   8.411 -12.930
   48   HG21  THR   9          1HG2      THR   9   2.782   5.725 -10.791
   49   HG22  THR   9          2HG2      THR   9   1.120   5.786 -11.377
   50   HG23  THR   9          3HG2      THR   9   1.933   7.268 -10.875
   51    H    ALA  10           H        ALA  10   4.109   5.406 -15.271
   52    HA   ALA  10           HA       ALA  10   3.556   2.696 -15.027
   53    HB1  ALA  10          1HB       ALA  10   5.316   3.859 -17.172
   54    HB2  ALA  10          2HB       ALA  10   4.242   2.464 -17.280
   55    HB3  ALA  10          3HB       ALA  10   3.567   4.087 -17.134
   56    H    VAL  11           H        VAL  11   6.641   4.395 -14.875
   57    HA   VAL  11           HA       VAL  11   8.173   1.952 -14.719
   58    HB   VAL  11           HB       VAL  11   9.182   3.893 -15.776
   59   HG11  VAL  11          1HG1      VAL  11   9.835   5.854 -14.389
   60   HG12  VAL  11          2HG1      VAL  11   8.092   5.682 -14.604
   61   HG13  VAL  11          3HG1      VAL  11   8.846   5.204 -13.082
   62   HG21  VAL  11          1HG2      VAL  11  10.902   3.876 -13.431
   63   HG22  VAL  11          2HG2      VAL  11  10.381   2.259 -13.904
   64   HG23  VAL  11          3HG2      VAL  11  11.213   3.292 -15.066
   65    H    ALA  12           H        ALS  12   6.777   4.265 -12.517
   66    HB1  ALA  12          1HB       ALS  12   6.461   4.690  -8.969
   67    HB2  ALA  12          2HB       ALS  12   6.791   5.624 -10.428
   68    HB3  ALA  12          3HB       ALS  12   5.390   4.556 -10.364
   69    H    ASN  13           H        ASN  13   5.210   2.310 -11.418
   70    HA   ASN  13           HA       ASN  13   5.056   0.401  -9.266
   71    HB2  ASN  13          2HB       ASN  13   2.988  -0.242 -10.164
   72    HB3  ASN  13          3HB       ASN  13   3.091   1.472 -10.555
   73   HD21  ASN  13          1HD2      ASN  13   3.603   2.081 -12.701
   74   HD22  ASN  13          2HD2      ASN  13   3.298   1.009 -14.020
   75    H    SER  14           H        SER  14   6.290   0.491 -12.511
   76    HA   SER  14           HA       SER  14   6.334  -2.183 -13.207
   77    HB2  SER  14          2HB       SER  14   7.045  -0.682 -14.869
   78    HB3  SER  14          3HB       SER  14   8.217   0.089 -13.801
   79    HG   SER  14           HG       SER  14   8.938  -1.537 -15.491
   80    H    HIS  15           H        HIS  15   8.403  -0.430 -10.985
   81    HA   HIS  15           HA       HIS  15  10.074  -2.789 -10.563
   82    HB2  HIS  15          2HB       HIS  15  10.592  -0.042 -10.510
   83    HB3  HIS  15          3HB       HIS  15  10.659  -0.544  -8.823
   84    HD1  HIS  15           HD1      HIS  15  12.722  -1.758  -8.074
   85    HD2  HIS  15           HD2      HIS  15  12.471  -1.440 -12.208
   86    HE1  HIS  15           HE1      HIS  15  14.934  -2.578  -8.946
   87    H    ASN  16           H        NSS  16   8.409  -0.434  -8.457
   88    HB2  ASN  16          2HB       NSS  16   6.107  -2.254  -8.069
   89    HB3  ASN  16          3HB       NSS  16   6.643  -3.450  -6.893
   90   HD21  ASN  16          1HD2      NSS  16   4.818  -0.504  -7.351
   91   HD22  ASN  16          2HD2      NSS  16   3.874  -0.637  -5.910
   92    H    ALA  17           H        ALA  17   7.133  -2.696  -4.624
   93    HA   ALA  17           HA       ALA  17   9.430  -4.345  -4.311
   94    HB1  ALA  17          1HB       ALA  17   9.925  -1.741  -3.628
   95    HB2  ALA  17          2HB       ALA  17   9.479  -2.461  -2.081
   96    HB3  ALA  17          3HB       ALA  17  10.806  -3.144  -3.021
   97    H    GLY  18           H        GLY  18   7.028  -2.536  -2.386
   98    HA2  GLY  18          2HA       GLY  18   5.246  -4.375  -1.697
   99    HA3  GLY  18          3HA       GLY  18   6.605  -4.883  -0.705
  100    HA   PRO  19           HA       PRO  19   3.994  -1.491   1.352
  101    HB2  PRO  19          2HB       PRO  19   2.801  -3.033   3.242
  102    HB3  PRO  19          3HB       PRO  19   2.087  -2.737   1.652
  103    HG2  PRO  19          2HG       PRO  19   3.632  -5.110   2.622
  104    HG3  PRO  19          3HG       PRO  19   2.157  -5.061   1.638
  105    HD2  PRO  19          2HD       PRO  19   4.610  -5.466   0.566
  106    HD3  PRO  19          3HD       PRO  19   3.316  -4.617  -0.304
  107    H    ALA  20           H        ALA  20   5.812  -4.250   2.587
  108    HA   ALA  20           HA       ALA  20   6.634  -2.711   4.937
  109    HB1  ALA  20          1HB       ALA  20   7.333  -5.571   4.311
  110    HB2  ALA  20          2HB       ALA  20   7.408  -4.747   5.870
  111    HB3  ALA  20          3HB       ALA  20   5.845  -5.096   5.132
  112    H    TYR  21           H        TYR  21   7.562  -2.221   2.124
  113    HA   TYR  21           HA       TYR  21  10.429  -2.248   2.729
  114    HB2  TYR  21          2HB       TYR  21   9.218  -3.105   0.093
  115    HB3  TYR  21          3HB       TYR  21  10.937  -2.860   0.381
  116    HD1  TYR  21           HD1      TYR  21  12.215  -4.446   1.716
  117    HD2  TYR  21           HD2      TYR  21   8.067  -5.047   0.980
  118    HE1  TYR  21           HE1      TYR  21  12.426  -6.779   2.465
  119    HE2  TYR  21           HE2      TYR  21   8.267  -7.381   1.729
  120    HH   TYR  21           HH       TYR  21   9.766  -9.049   2.176
  121    H    CYS  22           H        CYS  22  11.536  -0.459   2.067
  122    HA   CYS  22           HA       CYS  22   9.949   1.635   0.733
  123    HB2  CYS  22          2HB       CYS  22  12.126   1.877   2.815
  124    HB3  CYS  22          3HB       CYS  22  11.469   3.247   1.926
  125    H    VAL  23           H        VAL  23  10.603   2.129  -1.244
  126    HA   VAL  23           HA       VAL  23  13.470   1.923  -1.882
  127    HB   VAL  23           HB       VAL  23  11.237   1.181  -3.775
  128   HG11  VAL  23          1HG1      VAL  23  13.589   0.089  -4.694
  129   HG12  VAL  23          2HG1      VAL  23  12.824   1.558  -5.303
  130   HG13  VAL  23          3HG1      VAL  23  14.092   1.664  -4.082
  131   HG21  VAL  23          1HG2      VAL  23  11.442  -0.439  -1.939
  132   HG22  VAL  23          2HG2      VAL  23  11.939  -1.128  -3.485
  133   HG23  VAL  23          3HG2      VAL  23  13.156  -0.629  -2.309
  134    H    GLY  24           H        GLY  24  14.331   3.627  -2.929
  135    HA2  GLY  24          2HA       GLY  24  12.472   5.633  -4.042
  136    HA3  GLY  24          3HA       GLY  24  13.796   6.107  -2.988
  137    H    TYR  25           H        TYR  25  12.833   5.543  -6.174
  138    HA   TYR  25           HA       TYR  25  15.434   4.988  -7.262
  139    HB2  TYR  25          2HB       TYR  25  13.191   4.328  -8.289
  140    HB3  TYR  25          3HB       TYR  25  13.043   6.008  -8.792
  141    HD1  TYR  25           HD1      TYR  25  15.709   3.378  -8.868
  142    HD2  TYR  25           HD2      TYR  25  13.584   6.390 -10.993
  143    HE1  TYR  25           HE1      TYR  25  17.033   2.883 -10.881
  144    HE2  TYR  25           HE2      TYR  25  14.901   5.903 -13.012
  145    HH   TYR  25           HH       TYR  25  17.708   4.305 -13.034
  146    H    CYS  26           H        CYS  26  16.978   6.404  -7.722
  147    HA   CYS  26           HA       CYS  26  16.241   9.226  -8.114
  148    HB2  CYS  26          2HB       CYS  26  18.553   8.146  -6.491
  149    HB3  CYS  26          3HB       CYS  26  18.361   9.839  -6.934
  150    H    GLY  27           H        GLY  27  17.673  10.451  -9.449
  151    HA2  GLY  27          2HA       GLY  27  19.213   8.744 -11.301
  152    HA3  GLY  27          3HA       GLY  27  18.402  10.233 -11.762
  153    H    ASN  28           H        ASN  28  19.886  11.685 -12.304
  154    HA   ASN  28           HA       ASN  28  22.311  11.890 -10.645
  155    HB2  ASN  28          2HB       ASN  28  23.179  13.165 -12.732
  156    HB3  ASN  28          3HB       ASN  28  23.068  11.409 -12.803
  157   HD21  ASN  28          1HD2      ASN  28  21.671  14.417 -13.855
  158   HD22  ASN  28          2HD2      ASN  28  20.730  13.759 -15.146
  159    H    ASN  29           H        ASN  29  19.825  13.094  -9.912
  160    HA   ASN  29           HA       ASN  29  20.050  15.912 -10.564
  161    HB2  ASN  29          2HB       ASN  29  18.188  14.739  -8.509
  162    HB3  ASN  29          3HB       ASN  29  17.979  16.197  -9.476
  163   HD21  ASN  29          1HD2      ASN  29  16.854  13.203  -9.087
  164   HD22  ASN  29          2HD2      ASN  29  16.338  12.846 -10.696
  165    H    GLY  30           H        GLY  30  20.585  13.776  -7.806
  166    HA2  GLY  30          2HA       GLY  30  22.666  14.958  -6.613
  167    HA3  GLY  30          3HA       GLY  30  21.349  16.001  -6.098
  168    H    VAL  31           H        VAL  31  22.967  14.524  -4.332
  169    HA   VAL  31           HA       VAL  31  21.964  12.059  -3.526
  170    HB   VAL  31           HB       VAL  31  23.060  14.210  -1.710
  171   HG11  VAL  31          1HG1      VAL  31  22.312  12.643  -0.230
  172   HG12  VAL  31          2HG1      VAL  31  22.464  11.317  -1.385
  173   HG13  VAL  31          3HG1      VAL  31  23.899  11.965  -0.590
  174   HG21  VAL  31          1HG2      VAL  31  25.098  12.444  -2.180
  175   HG22  VAL  31          2HG2      VAL  31  24.322  12.552  -3.761
  176   HG23  VAL  31          3HG2      VAL  31  24.907  14.012  -2.964
  177    H    VAL  32           H        VAL  32  20.880  15.322  -2.728
  178    HA   VAL  32           HA       VAL  32  19.103  14.789  -0.679
  179    HB   VAL  32           HB       VAL  32  18.714  16.792  -2.907
  180   HG11  VAL  32          1HG1      VAL  32  16.678  16.802  -1.841
  181   HG12  VAL  32          2HG1      VAL  32  17.370  16.348  -0.282
  182   HG13  VAL  32          3HG1      VAL  32  17.559  17.994  -0.886
  183   HG21  VAL  32          1HG2      VAL  32  20.669  16.633  -0.819
  184   HG22  VAL  32          2HG2      VAL  32  20.490  17.846  -2.086
  185   HG23  VAL  32          3HG2      VAL  32  19.630  18.034  -0.558
  186    H    THR  33           H        THR  33  18.360  14.910  -4.165
  187    HA   THR  33           HA       THR  33  15.693  14.199  -4.053
  188    HB   THR  33           HB       THR  33  17.400  13.082  -6.245
  189    HG1  THR  33           HG1      THR  33  18.256  15.004  -6.485
  190   HG21  THR  33          1HG2      THR  33  14.771  13.089  -5.995
  191   HG22  THR  33          2HG2      THR  33  15.538  13.357  -7.560
  192   HG23  THR  33          3HG2      THR  33  14.944  14.727  -6.622
  193    H    ARG  34           H        RSS  34  18.514  12.049  -4.321
  194    HB2  ARG  34          2HB       RSS  34  19.598   9.713  -4.764
  195    HB3  ARG  34          3HB       RSS  34  19.809  10.352  -3.139
  196    HG2  ARG  34          2HG       RSS  34  18.442   7.793  -3.148
  197    HG3  ARG  34          3HG       RSS  34  20.034   7.716  -3.905
  198    HD2  ARG  34          2HD       RSS  34  19.952   9.254  -1.413
  199    HD3  ARG  34          3HD       RSS  34  19.555   7.547  -1.223
  200    HE   ARG  34           HE       RSS  34  22.124   8.661  -1.795
  201   HH11  ARG  34          1HH2      RSS  34  23.883   7.231  -2.046
  202   HH12  ARG  34          2HH2      RSS  34  23.580   5.549  -2.323
  203   HH21  ARG  34          1HH1      RSS  34  20.099   5.866  -2.247
  204   HH22  ARG  34          2HH1      RSS  34  21.428   4.772  -2.439
  205    H    ASN  35           H        ASN  35  17.641  11.681  -1.728
  206    HA   ASN  35           HA       ASN  35  16.790   9.667   0.159
  207    HB2  ASN  35          2HB       ASN  35  17.310  12.631   0.437
  208    HB3  ASN  35          3HB       ASN  35  16.811  11.601   1.775
  209   HD21  ASN  35          1HD2      ASN  35  19.395  12.965   0.300
  210   HD22  ASN  35          2HD2      ASN  35  20.640  11.897   0.842
  211    H    ALA  36           H        ALA  36  15.411  12.551  -1.360
  212    HA   ALA  36           HA       ALA  36  13.002  12.693   0.006
  213    HB1  ALA  36          1HB       ALA  36  12.442  14.270  -1.497
  214    HB2  ALA  36          2HB       ALA  36  14.118  14.096  -2.016
  215    HB3  ALA  36          3HB       ALA  36  12.836  13.245  -2.877
  216    H    ASN  37           H        ASN  37  13.809  10.811  -2.896
  217    HA   ASN  37           HA       ASN  37  11.280   9.755  -3.404
  218    HB2  ASN  37          2HB       ASN  37  14.068   8.805  -3.989
  219    HB3  ASN  37          3HB       ASN  37  12.685   7.790  -4.388
  220   HD21  ASN  37          1HD2      ASN  37  11.591   8.180  -6.203
  221   HD22  ASN  37          2HD2      ASN  37  11.857   9.528  -7.251
  222    H    ALA  38           H        ALA  38  13.973   8.175  -1.674
  223    HA   ALA  38           HA       ALA  38  12.558   5.938  -0.804
  224    HB1  ALA  38          1HB       ALA  38  14.992   6.097  -0.715
  225    HB2  ALA  38          2HB       ALA  38  14.872   7.309   0.561
  226    HB3  ALA  38          3HB       ALA  38  14.324   5.660   0.858
  227    H    ASN  39           H        ASN  39  12.553   9.198   0.373
  228    HA   ASN  39           HA       ASN  39  11.536   8.663   2.973
  229    HB2  ASN  39          2HB       ASN  39  12.105  11.016   1.331
  230    HB3  ASN  39          3HB       ASN  39  10.682  11.217   2.350
  231   HD21  ASN  39          1HD2      ASN  39  13.970  11.514   2.210
  232   HD22  ASN  39          2HD2      ASN  39  14.317  11.569   3.901
  233    H    VAL  40           H        VAL  40  10.090   9.080  -0.174
  234    HA   VAL  40           HA       VAL  40   7.409   9.406   0.809
  235    HB   VAL  40           HB       VAL  40   8.307   8.652  -1.975
  236   HG11  VAL  40          1HG1      VAL  40   5.714   9.754  -0.904
  237   HG12  VAL  40          2HG1      VAL  40   6.119   9.651  -2.618
  238   HG13  VAL  40          3HG1      VAL  40   5.977   8.180  -1.654
  239   HG21  VAL  40          1HG2      VAL  40   8.366  11.194  -0.513
  240   HG22  VAL  40          2HG2      VAL  40   9.257  10.689  -1.949
  241   HG23  VAL  40          3HG2      VAL  40   7.601  11.275  -2.100
  242    H    ALA  41           H        ALA  41   9.431   6.743  -0.214
  243    HA   ALA  41           HA       ALA  41   7.240   4.854  -0.262
  244    HB1  ALA  41          1HB       ALA  41  10.105   4.021  -0.270
  245    HB2  ALA  41          2HB       ALA  41   8.727   3.321  -1.121
  246    HB3  ALA  41          3HB       ALA  41   9.431   4.839  -1.680
  247    H    LYS  42           H        KSS  42  10.157   5.351   1.722
  248    HB2  LYS  42          2HB       KSS  42  11.293   4.434   4.976
  249    HB3  LYS  42          3HB       KSS  42  11.787   4.775   3.323
  250    HG2  LYS  42          2HG       KSS  42  11.926   6.887   4.046
  251    HG3  LYS  42          3HG       KSS  42  10.175   6.894   3.822
  252    HD2  LYS  42          2HD       KSS  42   9.770   6.946   6.037
  253    HD3  LYS  42          3HD       KSS  42  11.086   5.828   6.405
  254    HE2  LYS  42          2HE       KSS  42  12.657   7.766   5.911
  255    HE3  LYS  42          3HE       KSS  42  11.228   8.798   5.952
  256    HZ1  LYS  42          1HZ       KSS  42  11.340   7.085   8.222
  257    HZ2  LYS  42          2HZ       KSS  42  11.235   8.772   8.157
  258    HZ3  LYS  42          3HZ       KSS  42  12.747   8.015   8.099
  259    H    THR  43           H        THR  43   8.185   6.415   3.246
  260    HA   THR  43           HA       THR  43   6.964   6.258   5.885
  261    HB   THR  43           HB       THR  43   6.634   8.318   3.695
  262    HG1  THR  43           HG1      THR  43   8.598   8.704   4.513
  263   HG21  THR  43          1HG2      THR  43   5.674   9.679   5.614
  264   HG22  THR  43          2HG2      THR  43   5.539   8.158   6.496
  265   HG23  THR  43          3HG2      THR  43   4.653   8.386   4.988
  266    H    ALA  44           H        ALA  44   6.218   5.572   2.573
  267    HA   ALA  44           HA       ALA  44   3.406   5.645   2.696
  268    HB1  ALA  44          1HB       ALA  44   4.579   5.585   0.579
  269    HB2  ALA  44          2HB       ALA  44   5.210   3.979   0.945
  270    HB3  ALA  44          3HB       ALA  44   3.480   4.210   0.697
  Start of MODEL    5
    1    H1   TRP   1           H        TRP   1   3.340  -0.423   0.731
    2    HA   TRP   1           HA       TRP   1   2.705  -0.649  -2.132
    3    HB2  TRP   1          2HB       TRP   1   0.828  -0.264  -0.064
    4    HB3  TRP   1          3HB       TRP   1   1.008   1.298  -0.857
    5    HD1  TRP   1           HD1      TRP   1  -1.424  -1.106  -1.005
    6    HE1  TRP   1           HE1      TRP   1  -2.349  -1.569  -3.362
    7    HE3  TRP   1           HE3      TRP   1   2.374   0.901  -3.778
    8    HZ2  TRP   1           HZ2      TRP   1  -1.572  -1.141  -6.041
    9    HZ3  TRP   1           HZ3      TRP   1   2.206   0.833  -6.232
   10    HH2  TRP   1           HH2      TRP   1   0.273  -0.168  -7.338
   11    H    GLY   2           H        GLY   2   5.030   0.411  -0.608
   12    HA2  GLY   2          2HA       GLY   2   4.838   3.272  -1.279
   13    HA3  GLY   2          3HA       GLY   2   6.021   2.560  -0.193
   14    H    CYS   3           H        CYS   3   5.184   3.219  -3.498
   15    HA   CYS   3           HA       CYS   3   7.944   2.582  -4.269
   16    HB2  CYS   3          2HB       CYS   3   5.650   1.153  -5.118
   17    HB3  CYS   3          3HB       CYS   3   6.195   2.109  -6.492
   18    H    VAL   4           H        VAL   4   8.852   4.415  -4.905
   19    HA   VAL   4           HA       VAL   4   7.223   6.332  -6.444
   20    HB   VAL   4           HB       VAL   4   7.819   7.202  -4.214
   21   HG11  VAL   4          1HG1      VAL   4  10.641   6.785  -5.183
   22   HG12  VAL   4          2HG1      VAL   4  10.213   7.787  -3.794
   23   HG13  VAL   4          3HG1      VAL   4   9.869   6.057  -3.775
   24   HG21  VAL   4          1HG2      VAL   4   9.472   8.761  -6.147
   25   HG22  VAL   4          2HG2      VAL   4   7.745   8.569  -6.445
   26   HG23  VAL   4          3HG2      VAL   4   8.304   9.328  -4.954
   27    H    CYS   5           H        CYS   5   8.206   7.400  -8.177
   28    HA   CYS   5           HA       CYS   5  10.889   6.513  -8.950
   29    HB2  CYS   5          2HB       CYS   5   8.576   6.506 -10.892
   30    HB3  CYS   5          3HB       CYS   5  10.212   5.915 -11.170
   31    H    SER   6           H        SER   6  12.047   7.971 -10.181
   32    HA   SER   6           HA       SER   6  10.991  10.685 -10.179
   33    HB2  SER   6          2HB       SER   6  13.251  10.260  -9.269
   34    HB3  SER   6          3HB       SER   6  13.770   9.685 -10.853
   35    HG   SER   6           HG       SER   6  13.436  12.245  -9.940
   36    H    GLY   7           H        GLY   7   9.538   9.487 -11.977
   37    HA2  GLY   7          2HA       GLY   7  10.270  10.761 -14.435
   38    HA3  GLY   7          3HA       GLY   7  10.401   9.012 -14.538
   39    H    SER   8           H        SER   8   8.578   7.782 -14.713
   40    HA   SER   8           HA       SER   8   6.028   9.257 -14.822
   41    HB2  SER   8          2HB       SER   8   6.880   8.471 -17.042
   42    HB3  SER   8          3HB       SER   8   6.770   6.814 -16.448
   43    HG   SER   8           HG       SER   8   4.827   8.404 -17.430
   44    H    THR   9           H        THR   9   4.126   7.575 -14.750
   45    HA   THR   9           HA       THR   9   4.323   6.288 -12.186
   46    HB   THR   9           HB       THR   9   1.892   5.506 -13.094
   47    HG1  THR   9           HG1      THR   9   2.041   6.515 -15.088
   48   HG21  THR   9          1HG2      THR   9   2.952   7.569 -11.412
   49   HG22  THR   9          2HG2      THR   9   1.414   6.716 -11.285
   50   HG23  THR   9          3HG2      THR   9   1.534   8.178 -12.263
   51    H    ALA  10           H        ALA  10   4.198   5.280 -15.545
   52    HA   ALA  10           HA       ALA  10   3.654   2.560 -15.189
   53    HB1  ALA  10          1HB       ALA  10   4.392   4.263 -17.330
   54    HB2  ALA  10          2HB       ALA  10   5.460   2.859 -17.361
   55    HB3  ALA  10          3HB       ALA  10   3.711   2.638 -17.403
   56    H    VAL  11           H        VAL  11   6.678   4.359 -15.009
   57    HA   VAL  11           HA       VAL  11   8.278   1.976 -14.696
   58    HB   VAL  11           HB       VAL  11   9.245   3.928 -15.798
   59   HG11  VAL  11          1HG1      VAL  11   8.072   5.698 -14.651
   60   HG12  VAL  11          2HG1      VAL  11   8.870   5.288 -13.131
   61   HG13  VAL  11          3HG1      VAL  11   9.809   5.940 -14.475
   62   HG21  VAL  11          1HG2      VAL  11  10.427   2.404 -13.772
   63   HG22  VAL  11          2HG2      VAL  11  11.243   3.281 -15.066
   64   HG23  VAL  11          3HG2      VAL  11  10.979   4.058 -13.505
   65    H    ALA  12           H        ALS  12   6.743   4.341 -12.643
   66    HB1  ALA  12          1HB       ALS  12   6.247   4.873  -9.131
   67    HB2  ALA  12          2HB       ALS  12   6.590   5.769 -10.611
   68    HB3  ALA  12          3HB       ALS  12   5.246   4.629 -10.562
   69    H    ASN  13           H        ASN  13   5.222   2.334 -11.509
   70    HA   ASN  13           HA       ASN  13   5.110   0.505  -9.283
   71    HB2  ASN  13          2HB       ASN  13   3.101  -0.282 -10.204
   72    HB3  ASN  13          3HB       ASN  13   3.123   1.420 -10.656
   73   HD21  ASN  13          1HD2      ASN  13   3.717   1.973 -12.813
   74   HD22  ASN  13          2HD2      ASN  13   3.478   0.842 -14.098
   75    H    SER  14           H        SER  14   6.456   0.552 -12.476
   76    HA   SER  14           HA       SER  14   6.643  -2.134 -13.097
   77    HB2  SER  14          2HB       SER  14   7.341  -0.530 -14.722
   78    HB3  SER  14          3HB       SER  14   8.559   0.139 -13.636
   79    HG   SER  14           HG       SER  14   9.601  -1.208 -15.059
   80    H    HIS  15           H        HIS  15   8.783  -0.185 -11.055
   81    HA   HIS  15           HA       HIS  15  10.458  -2.465 -10.442
   82    HB2  HIS  15          2HB       HIS  15  10.897   0.250 -10.486
   83    HB3  HIS  15          3HB       HIS  15  10.770  -0.081  -8.761
   84    HD1  HIS  15           HD1      HIS  15  12.648  -1.451  -7.677
   85    HD2  HIS  15           HD2      HIS  15  13.125  -0.904 -11.768
   86    HE1  HIS  15           HE1      HIS  15  15.002  -2.178  -8.182
   87    H    ASN  16           H        NSS  16   8.550  -0.198  -8.449
   88    HB2  ASN  16          2HB       NSS  16   6.381  -2.184  -8.109
   89    HB3  ASN  16          3HB       NSS  16   6.959  -3.310  -6.884
   90   HD21  ASN  16          1HD2      NSS  16   5.118  -0.330  -7.315
   91   HD22  ASN  16          2HD2      NSS  16   4.056  -0.583  -5.976
   92    H    ALA  17           H        ALA  17   7.294  -2.472  -4.616
   93    HA   ALA  17           HA       ALA  17   9.707  -3.920  -4.174
   94    HB1  ALA  17          1HB       ALA  17   9.738  -1.212  -3.364
   95    HB2  ALA  17          2HB       ALA  17   9.648  -2.199  -1.905
   96    HB3  ALA  17          3HB       ALA  17  10.951  -2.458  -3.065
   97    H    GLY  18           H        GLY  18   7.036  -2.316  -2.434
   98    HA2  GLY  18          2HA       GLY  18   5.291  -4.047  -1.734
   99    HA3  GLY  18          3HA       GLY  18   6.645  -4.817  -0.920
  100    HA   PRO  19           HA       PRO  19   4.464  -1.635   1.828
  101    HB2  PRO  19          2HB       PRO  19   3.375  -3.386   3.594
  102    HB3  PRO  19          3HB       PRO  19   2.533  -2.840   2.139
  103    HG2  PRO  19          2HG       PRO  19   4.040  -5.382   2.613
  104    HG3  PRO  19          3HG       PRO  19   2.485  -5.139   1.796
  105    HD2  PRO  19          2HD       PRO  19   4.806  -5.477   0.442
  106    HD3  PRO  19          3HD       PRO  19   3.481  -4.465  -0.170
  107    H    ALA  20           H        ALA  20   6.349  -4.541   2.387
  108    HA   ALA  20           HA       ALA  20   7.390  -3.460   4.900
  109    HB1  ALA  20          1HB       ALA  20   6.617  -5.901   4.556
  110    HB2  ALA  20          2HB       ALA  20   8.173  -6.111   3.753
  111    HB3  ALA  20          3HB       ALA  20   8.113  -5.597   5.438
  112    H    TYR  21           H        TYR  21   8.042  -2.429   2.156
  113    HA   TYR  21           HA       TYR  21  10.916  -2.311   2.546
  114    HB2  TYR  21          2HB       TYR  21   9.708  -3.271  -0.056
  115    HB3  TYR  21          3HB       TYR  21  11.404  -2.867   0.185
  116    HD1  TYR  21           HD1      TYR  21  12.782  -4.262   1.749
  117    HD2  TYR  21           HD2      TYR  21   8.853  -5.390   0.566
  118    HE1  TYR  21           HE1      TYR  21  13.233  -6.570   2.471
  119    HE2  TYR  21           HE2      TYR  21   9.293  -7.700   1.287
  120    HH   TYR  21           HH       TYR  21  11.206  -8.693   3.217
  121    H    CYS  22           H        CYS  22  11.918  -0.560   1.432
  122    HA   CYS  22           HA       CYS  22  10.048   1.400   0.283
  123    HB2  CYS  22          2HB       CYS  22  12.195   1.890   2.350
  124    HB3  CYS  22          3HB       CYS  22  11.435   3.180   1.425
  125    H    VAL  23           H        VAL  23  10.680   2.258  -1.594
  126    HA   VAL  23           HA       VAL  23  13.525   2.119  -2.328
  127    HB   VAL  23           HB       VAL  23  11.237   1.402  -4.168
  128   HG11  VAL  23          1HG1      VAL  23  13.693   0.594  -5.243
  129   HG12  VAL  23          2HG1      VAL  23  12.646   1.894  -5.815
  130   HG13  VAL  23          3HG1      VAL  23  13.940   2.242  -4.669
  131   HG21  VAL  23          1HG2      VAL  23  13.385  -0.351  -2.978
  132   HG22  VAL  23          2HG2      VAL  23  11.688  -0.338  -2.499
  133   HG23  VAL  23          3HG2      VAL  23  12.142  -0.859  -4.122
  134    H    GLY  24           H        GLY  24  14.320   3.918  -3.257
  135    HA2  GLY  24          2HA       GLY  24  12.388   5.948  -4.188
  136    HA3  GLY  24          3HA       GLY  24  13.733   6.378  -3.142
  137    H    TYR  25           H        TYR  25  12.697   5.877  -6.347
  138    HA   TYR  25           HA       TYR  25  15.253   5.477  -7.548
  139    HB2  TYR  25          2HB       TYR  25  12.869   5.000  -8.497
  140    HB3  TYR  25          3HB       TYR  25  12.925   6.683  -9.007
  141    HD1  TYR  25           HD1      TYR  25  14.988   3.572  -9.173
  142    HD2  TYR  25           HD2      TYR  25  13.786   7.172 -11.095
  143    HE1  TYR  25           HE1      TYR  25  16.251   2.915 -11.178
  144    HE2  TYR  25           HE2      TYR  25  15.045   6.525 -13.107
  145    HH   TYR  25           HH       TYR  25  17.216   4.865 -13.463
  146    H    CYS  26           H        CYS  26  16.789   6.973  -7.280
  147    HA   CYS  26           HA       CYS  26  16.516   9.536  -8.482
  148    HB2  CYS  26          2HB       CYS  26  17.042  10.820  -6.351
  149    HB3  CYS  26          3HB       CYS  26  15.392  10.226  -6.510
  150    H    GLY  27           H        GLY  27  18.307   8.292  -9.494
  151    HA2  GLY  27          2HA       GLY  27  20.819   8.794  -8.025
  152    HA3  GLY  27          3HA       GLY  27  20.573   7.312  -8.937
  153    H    ASN  28           H        ASN  28  19.437  10.437 -10.032
  154    HA   ASN  28           HA       ASN  28  21.681  10.697 -11.878
  155    HB2  ASN  28          2HB       ASN  28  18.823  10.234 -12.702
  156    HB3  ASN  28          3HB       ASN  28  19.948  11.092 -13.751
  157   HD21  ASN  28          1HD2      ASN  28  21.991   9.948 -14.237
  158   HD22  ASN  28          2HD2      ASN  28  21.922   8.236 -14.461
  159    H    ASN  29           H        ASN  29  20.796  12.221  -9.597
  160    HA   ASN  29           HA       ASN  29  20.651  14.821 -10.873
  161    HB2  ASN  29          2HB       ASN  29  18.548  13.923  -8.889
  162    HB3  ASN  29          3HB       ASN  29  18.746  15.571  -9.478
  163   HD21  ASN  29          1HD2      ASN  29  17.490  12.458 -10.106
  164   HD22  ASN  29          2HD2      ASN  29  16.769  12.808 -11.637
  165    H    GLY  30           H        GLY  30  20.230  13.369  -7.633
  166    HA2  GLY  30          2HA       GLY  30  22.736  14.241  -6.663
  167    HA3  GLY  30          3HA       GLY  30  21.501  15.406  -6.208
  168    H    VAL  31           H        VAL  31  22.721  14.326  -4.157
  169    HA   VAL  31           HA       VAL  31  21.636  11.849  -3.257
  170    HB   VAL  31           HB       VAL  31  22.865  14.023  -1.561
  171   HG11  VAL  31          1HG1      VAL  31  23.585  11.857  -0.296
  172   HG12  VAL  31          2HG1      VAL  31  21.963  12.515  -0.068
  173   HG13  VAL  31          3HG1      VAL  31  22.215  11.139  -1.143
  174   HG21  VAL  31          1HG2      VAL  31  24.983  12.753  -1.858
  175   HG22  VAL  31          2HG2      VAL  31  24.184  11.790  -3.101
  176   HG23  VAL  31          3HG2      VAL  31  24.406  13.524  -3.335
  177    H    VAL  32           H        VAL  32  20.753  15.224  -2.855
  178    HA   VAL  32           HA       VAL  32  18.976  15.070  -0.741
  179    HB   VAL  32           HB       VAL  32  18.630  16.770  -3.215
  180   HG11  VAL  32          1HG1      VAL  32  17.813  18.073  -0.837
  181   HG12  VAL  32          2HG1      VAL  32  16.824  17.586  -2.215
  182   HG13  VAL  32          3HG1      VAL  32  17.058  16.480  -0.861
  183   HG21  VAL  32          1HG2      VAL  32  20.458  16.959  -0.885
  184   HG22  VAL  32          2HG2      VAL  32  20.708  17.445  -2.562
  185   HG23  VAL  32          3HG2      VAL  32  19.739  18.452  -1.487
  186    H    THR  33           H        THR  33  18.174  14.809  -4.208
  187    HA   THR  33           HA       THR  33  15.478  14.202  -3.923
  188    HB   THR  33           HB       THR  33  16.944  12.824  -6.111
  189    HG1  THR  33           HG1      THR  33  18.025  14.567  -6.609
  190   HG21  THR  33          1HG2      THR  33  14.368  14.195  -5.660
  191   HG22  THR  33          2HG2      THR  33  14.743  12.778  -6.640
  192   HG23  THR  33          3HG2      THR  33  15.076  14.393  -7.262
  193    H    ARG  34           H        RSS  34  18.267  12.011  -4.062
  194    HB2  ARG  34          2HB       RSS  34  19.341   9.643  -4.324
  195    HB3  ARG  34          3HB       RSS  34  19.546  10.399  -2.749
  196    HG2  ARG  34          2HG       RSS  34  18.177   7.821  -2.649
  197    HG3  ARG  34          3HG       RSS  34  19.824   7.740  -3.276
  198    HD2  ARG  34          2HD       RSS  34  20.678   8.827  -1.303
  199    HD3  ARG  34          3HD       RSS  34  19.043   9.094  -0.699
  200    HE   ARG  34           HE       RSS  34  19.063   6.970   0.125
  201   HH11  ARG  34          1HH2      RSS  34  19.875   4.868   0.485
  202   HH12  ARG  34          2HH2      RSS  34  21.193   4.288  -0.476
  203   HH21  ARG  34          1HH1      RSS  34  21.490   7.220  -2.359
  204   HH22  ARG  34          2HH1      RSS  34  22.113   5.625  -2.093
  205    H    ASN  35           H        ASN  35  17.377  11.839  -1.455
  206    HA   ASN  35           HA       ASN  35  16.502   9.974   0.570
  207    HB2  ASN  35          2HB       ASN  35  17.038  12.948   0.637
  208    HB3  ASN  35          3HB       ASN  35  16.532  12.016   2.043
  209   HD21  ASN  35          1HD2      ASN  35  19.120  13.308   0.569
  210   HD22  ASN  35          2HD2      ASN  35  20.361  12.259   1.154
  211    H    ALA  36           H        ALA  36  15.155  12.761  -1.150
  212    HA   ALA  36           HA       ALA  36  12.710  12.914   0.205
  213    HB1  ALA  36          1HB       ALA  36  11.931  14.242  -1.624
  214    HB2  ALA  36          2HB       ALA  36  13.630  14.630  -1.355
  215    HB3  ALA  36          3HB       ALA  36  13.166  13.583  -2.696
  216    H    ASN  37           H        ASN  37  13.697  10.994  -2.593
  217    HA   ASN  37           HA       ASN  37  11.139   9.977  -3.220
  218    HB2  ASN  37          2HB       ASN  37  13.933   9.006  -3.804
  219    HB3  ASN  37          3HB       ASN  37  12.508   8.130  -4.355
  220   HD21  ASN  37          1HD2      ASN  37  11.646   8.697  -6.226
  221   HD22  ASN  37          2HD2      ASN  37  11.996  10.147  -7.099
  222    H    ALA  38           H        ALA  38  13.868   8.381  -1.562
  223    HA   ALA  38           HA       ALA  38  12.523   6.076  -0.789
  224    HB1  ALA  38          1HB       ALA  38  14.262   5.884   0.980
  225    HB2  ALA  38          2HB       ALA  38  14.911   6.202  -0.629
  226    HB3  ALA  38          3HB       ALA  38  14.810   7.506   0.555
  227    H    ASN  39           H        ASN  39  12.368   9.283   0.510
  228    HA   ASN  39           HA       ASN  39  11.327   8.598   3.069
  229    HB2  ASN  39          2HB       ASN  39  11.646  11.090   1.478
  230    HB3  ASN  39          3HB       ASN  39  10.445  11.110   2.766
  231   HD21  ASN  39          1HD2      ASN  39  12.914  12.595   2.571
  232   HD22  ASN  39          2HD2      ASN  39  13.861  12.161   3.949
  233    H    VAL  40           H        VAL  40   9.916   9.217  -0.077
  234    HA   VAL  40           HA       VAL  40   7.213   9.345   0.890
  235    HB   VAL  40           HB       VAL  40   8.194   8.913  -1.935
  236   HG11  VAL  40          1HG1      VAL  40   5.900  10.029  -2.378
  237   HG12  VAL  40          2HG1      VAL  40   5.953   8.314  -1.967
  238   HG13  VAL  40          3HG1      VAL  40   5.514   9.502  -0.740
  239   HG21  VAL  40          1HG2      VAL  40   7.249  11.510  -1.684
  240   HG22  VAL  40          2HG2      VAL  40   8.207  11.252  -0.226
  241   HG23  VAL  40          3HG2      VAL  40   8.936  11.012  -1.814
  242    H    ALA  41           H        ALA  41   9.362   6.867  -0.301
  243    HA   ALA  41           HA       ALA  41   7.256   4.908  -0.609
  244    HB1  ALA  41          1HB       ALA  41  10.256   4.658  -0.777
  245    HB2  ALA  41          2HB       ALA  41   9.118   3.353  -1.110
  246    HB3  ALA  41          3HB       ALA  41   9.125   4.796  -2.123
  247    H    LYS  42           H        KSS  42  10.068   5.331   1.539
  248    HB2  LYS  42          2HB       KSS  42  11.076   4.233   4.777
  249    HB3  LYS  42          3HB       KSS  42  11.626   4.780   3.198
  250    HG2  LYS  42          2HG       KSS  42  10.320   6.850   3.492
  251    HG3  LYS  42          3HG       KSS  42   9.865   6.304   5.108
  252    HD2  LYS  42          2HD       KSS  42  12.721   6.646   4.209
  253    HD3  LYS  42          3HD       KSS  42  11.797   7.913   5.021
  254    HE2  LYS  42          2HE       KSS  42  11.360   5.882   6.718
  255    HE3  LYS  42          3HE       KSS  42  12.935   5.400   6.089
  256    HZ1  LYS  42          1HZ       KSS  42  13.379   7.969   6.589
  257    HZ2  LYS  42          2HZ       KSS  42  13.655   6.746   7.724
  258    HZ3  LYS  42          3HZ       KSS  42  12.226   7.649   7.785
  259    H    THR  43           H        THR  43   7.985   6.185   3.135
  260    HA   THR  43           HA       THR  43   6.667   5.761   5.657
  261    HB   THR  43           HB       THR  43   5.222   7.697   4.898
  262    HG1  THR  43           HG1      THR  43   5.367   7.723   2.720
  263   HG21  THR  43          1HG2      THR  43   8.152   7.750   5.337
  264   HG22  THR  43          2HG2      THR  43   6.853   8.498   6.267
  265   HG23  THR  43          3HG2      THR  43   7.406   9.243   4.767
  266    H    ALA  44           H        ALA  44   5.879   5.326   2.248
  267    HA   ALA  44           HA       ALA  44   3.160   4.527   2.810
  268    HB1  ALA  44          1HB       ALA  44   3.108   5.438   0.749
  269    HB2  ALA  44          2HB       ALA  44   4.786   5.019   0.403
  270    HB3  ALA  44          3HB       ALA  44   3.521   3.800   0.241
  Start of MODEL    6
    1    H1   TRP   1           H        TRP   1   1.444  -1.061   0.138
    2    HA   TRP   1           HA       TRP   1   2.998  -0.910  -1.539
    3    HB2  TRP   1          2HB       TRP   1   0.760   0.903  -2.414
    4    HB3  TRP   1          3HB       TRP   1   2.150   0.596  -3.452
    5    HD1  TRP   1           HD1      TRP   1  -0.288  -1.675  -1.433
    6    HE1  TRP   1           HE1      TRP   1  -0.950  -3.648  -2.947
    7    HE3  TRP   1           HE3      TRP   1   2.428  -0.457  -5.589
    8    HZ2  TRP   1           HZ2      TRP   1  -0.394  -4.568  -5.557
    9    HZ3  TRP   1           HZ3      TRP   1   2.308  -1.936  -7.552
   10    HH2  TRP   1           HH2      TRP   1   0.926  -3.949  -7.534
   11    H    GLY   2           H        GLY   2   4.959  -0.050  -1.436
   12    HA2  GLY   2          2HA       GLY   2   5.184   2.884  -1.189
   13    HA3  GLY   2          3HA       GLY   2   6.174   1.807  -0.215
   14    H    CYS   3           H        CYS   3   5.641   3.146  -3.383
   15    HA   CYS   3           HA       CYS   3   8.385   2.500  -4.097
   16    HB2  CYS   3          2HB       CYS   3   6.142   1.060  -5.164
   17    HB3  CYS   3          3HB       CYS   3   6.900   1.992  -6.451
   18    H    VAL   4           H        VAL   4   9.232   4.387  -4.649
   19    HA   VAL   4           HA       VAL   4   7.579   6.272  -6.204
   20    HB   VAL   4           HB       VAL   4   8.086   7.072  -3.905
   21   HG11  VAL   4          1HG1      VAL   4  10.801   7.848  -4.299
   22   HG12  VAL   4          2HG1      VAL   4  10.110   6.844  -3.023
   23   HG13  VAL   4          3HG1      VAL   4  10.668   6.104  -4.524
   24   HG21  VAL   4          1HG2      VAL   4   8.556   9.276  -4.547
   25   HG22  VAL   4          2HG2      VAL   4   9.565   8.762  -5.899
   26   HG23  VAL   4          3HG2      VAL   4   7.816   8.553  -5.975
   27    H    CYS   5           H        CYS   5   8.602   7.470  -7.842
   28    HA   CYS   5           HA       CYS   5  11.337   6.704  -8.550
   29    HB2  CYS   5          2HB       CYS   5   9.062   6.630 -10.539
   30    HB3  CYS   5          3HB       CYS   5  10.743   6.204 -10.839
   31    H    SER   6           H        SER   6  12.468   8.235  -9.734
   32    HA   SER   6           HA       SER   6  11.382  10.918  -9.590
   33    HB2  SER   6          2HB       SER   6  13.672  10.571  -8.844
   34    HB3  SER   6          3HB       SER   6  14.113   9.906 -10.416
   35    HG   SER   6           HG       SER   6  14.070  12.461  -9.637
   36    H    GLY   7           H        GLY   7   9.840   9.724 -11.359
   37    HA2  GLY   7          2HA       GLY   7  10.355  11.172 -13.778
   38    HA3  GLY   7          3HA       GLY   7  10.548   9.438 -13.993
   39    H    SER   8           H        SER   8   8.794   8.264 -14.439
   40    HA   SER   8           HA       SER   8   6.179   9.591 -14.192
   41    HB2  SER   8          2HB       SER   8   7.429   8.198 -16.354
   42    HB3  SER   8          3HB       SER   8   5.996   7.295 -15.862
   43    HG   SER   8           HG       SER   8   6.175   9.978 -16.730
   44    H    THR   9           H        THR   9   4.346   7.827 -14.144
   45    HA   THR   9           HA       THR   9   4.718   6.394 -11.679
   46    HB   THR   9           HB       THR   9   2.301   6.256 -13.480
   47    HG1  THR   9           HG1      THR   9   2.029   8.299 -13.027
   48   HG21  THR   9          1HG2      THR   9   1.170   5.991 -11.226
   49   HG22  THR   9          2HG2      THR   9   2.783   5.770 -10.546
   50   HG23  THR   9          3HG2      THR   9   2.171   4.638 -11.752
   51    H    ALA  10           H        ALA  10   4.646   5.620 -15.074
   52    HA   ALA  10           HA       ALA  10   4.177   2.844 -14.864
   53    HB1  ALA  10          1HB       ALA  10   4.651   2.722 -17.123
   54    HB2  ALA  10          2HB       ALA  10   4.140   4.400 -16.941
   55    HB3  ALA  10          3HB       ALA  10   5.856   4.008 -17.046
   56    H    VAL  11           H        VAL  11   7.081   4.800 -14.633
   57    HA   VAL  11           HA       VAL  11   8.838   2.502 -14.604
   58    HB   VAL  11           HB       VAL  11   9.645   4.580 -15.586
   59   HG11  VAL  11          1HG1      VAL  11   9.289   5.724 -12.819
   60   HG12  VAL  11          2HG1      VAL  11  10.135   6.528 -14.143
   61   HG13  VAL  11          3HG1      VAL  11   8.409   6.186 -14.276
   62   HG21  VAL  11          1HG2      VAL  11  11.393   4.569 -13.252
   63   HG22  VAL  11          2HG2      VAL  11  11.023   2.953 -13.854
   64   HG23  VAL  11          3HG2      VAL  11  11.741   4.152 -14.930
   65    H    ALA  12           H        ALS  12   7.279   4.616 -12.304
   66    HB1  ALA  12          1HB       ALS  12   5.891   4.711 -10.133
   67    HB2  ALA  12          2HB       ALS  12   6.962   4.879  -8.742
   68    HB3  ALA  12          3HB       ALS  12   7.203   5.889 -10.167
   69    H    ASN  13           H        ASN  13   5.852   2.519 -11.242
   70    HA   ASN  13           HA       ASN  13   5.852   0.529  -9.171
   71    HB2  ASN  13          2HB       ASN  13   3.848  -0.238 -10.097
   72    HB3  ASN  13          3HB       ASN  13   3.829   1.479 -10.489
   73   HD21  ASN  13          1HD2      ASN  13   4.331   2.124 -12.627
   74   HD22  ASN  13          2HD2      ASN  13   4.126   1.031 -13.950
   75    H    SER  14           H        SER  14   7.162   0.826 -12.364
   76    HA   SER  14           HA       SER  14   7.419  -1.806 -13.165
   77    HB2  SER  14          2HB       SER  14   8.066  -0.139 -14.714
   78    HB3  SER  14          3HB       SER  14   9.206   0.587 -13.581
   79    HG   SER  14           HG       SER  14   9.745  -1.183 -15.414
   80    H    HIS  15           H        HIS  15   9.180  -0.057 -10.717
   81    HA   HIS  15           HA       HIS  15  11.038  -2.292 -10.356
   82    HB2  HIS  15          2HB       HIS  15  11.608   0.306 -10.349
   83    HB3  HIS  15          3HB       HIS  15  11.162   0.153  -8.652
   84    HD1  HIS  15           HD1      HIS  15  13.945  -0.305 -10.931
   85    HD2  HIS  15           HD2      HIS  15  12.782  -1.874  -7.263
   86    HE1  HIS  15           HE1      HIS  15  16.015  -1.353  -9.961
   87    H    ASN  16           H        NSS  16   9.113  -0.171  -8.223
   88    HB2  ASN  16          2HB       NSS  16   6.937  -2.169  -8.030
   89    HB3  ASN  16          3HB       NSS  16   7.508  -3.382  -6.888
   90   HD21  ASN  16          1HD2      NSS  16   5.672  -0.377  -7.114
   91   HD22  ASN  16          2HD2      NSS  16   4.609  -0.719  -5.796
   92    H    ALA  17           H        ALA  17   7.842  -2.709  -4.565
   93    HA   ALA  17           HA       ALA  17  10.232  -4.209  -4.221
   94    HB1  ALA  17          1HB       ALA  17  11.316  -2.264  -3.512
   95    HB2  ALA  17          2HB       ALA  17   9.906  -1.694  -2.619
   96    HB3  ALA  17          3HB       ALA  17  10.838  -3.063  -2.014
   97    H    GLY  18           H        GLY  18   7.398  -2.773  -2.659
   98    HA2  GLY  18          2HA       GLY  18   6.066  -5.055  -2.013
   99    HA3  GLY  18          3HA       GLY  18   7.208  -4.868  -0.690
  100    HA   PRO  19           HA       PRO  19   3.250  -2.302  -0.096
  101    HB2  PRO  19          2HB       PRO  19   2.095  -3.824   1.833
  102    HB3  PRO  19          3HB       PRO  19   1.783  -4.059   0.109
  103    HG2  PRO  19          2HG       PRO  19   3.632  -5.562   1.921
  104    HG3  PRO  19          3HG       PRO  19   2.532  -6.186   0.679
  105    HD2  PRO  19          2HD       PRO  19   5.190  -5.895   0.256
  106    HD3  PRO  19          3HD       PRO  19   3.991  -5.698  -1.038
  107    H    ALA  20           H        ALA  20   5.159  -4.140   2.275
  108    HA   ALA  20           HA       ALA  20   5.056  -1.832   4.092
  109    HB1  ALA  20          1HB       ALA  20   5.834  -4.697   4.625
  110    HB2  ALA  20          2HB       ALA  20   5.844  -3.400   5.822
  111    HB3  ALA  20          3HB       ALA  20   4.324  -3.911   5.088
  112    H    TYR  21           H        TYR  21   6.784  -2.161   1.659
  113    HA   TYR  21           HA       TYR  21   9.411  -1.956   2.978
  114    HB2  TYR  21          2HB       TYR  21   8.638  -2.927   0.236
  115    HB3  TYR  21          3HB       TYR  21  10.281  -2.406   0.596
  116    HD1  TYR  21           HD1      TYR  21   7.681  -4.598   2.165
  117    HD2  TYR  21           HD2      TYR  21  11.766  -4.090   1.089
  118    HE1  TYR  21           HE1      TYR  21   8.187  -6.834   3.055
  119    HE2  TYR  21           HE2      TYR  21  12.283  -6.326   1.975
  120    HH   TYR  21           HH       TYR  21   9.752  -8.495   3.082
  121    H    CYS  22           H        CYS  22  10.856  -0.329   2.249
  122    HA   CYS  22           HA       CYS  22   9.555   1.894   0.817
  123    HB2  CYS  22          2HB       CYS  22  11.462   2.079   3.159
  124    HB3  CYS  22          3HB       CYS  22  10.835   3.451   2.251
  125    H    VAL  23           H        VAL  23  10.570   2.498  -0.972
  126    HA   VAL  23           HA       VAL  23  13.481   2.249  -1.145
  127    HB   VAL  23           HB       VAL  23  11.637   1.189  -3.291
  128   HG11  VAL  23          1HG1      VAL  23  14.569   1.654  -3.117
  129   HG12  VAL  23          2HG1      VAL  23  13.996   0.233  -3.994
  130   HG13  VAL  23          3HG1      VAL  23  13.473   1.845  -4.485
  131   HG21  VAL  23          1HG2      VAL  23  11.526  -0.457  -1.674
  132   HG22  VAL  23          2HG2      VAL  23  12.906  -0.987  -2.635
  133   HG23  VAL  23          3HG2      VAL  23  13.167  -0.155  -1.102
  134    H    GLY  24           H        GLY  24  14.466   3.713  -2.536
  135    HA2  GLY  24          2HA       GLY  24  12.665   5.670  -3.821
  136    HA3  GLY  24          3HA       GLY  24  14.035   6.188  -2.850
  137    H    TYR  25           H        TYR  25  13.005   5.722  -5.932
  138    HA   TYR  25           HA       TYR  25  15.680   5.057  -6.952
  139    HB2  TYR  25          2HB       TYR  25  13.793   3.679  -7.773
  140    HB3  TYR  25          3HB       TYR  25  13.039   5.128  -8.429
  141    HD1  TYR  25           HD1      TYR  25  13.983   6.240 -10.394
  142    HD2  TYR  25           HD2      TYR  25  15.689   2.656  -8.862
  143    HE1  TYR  25           HE1      TYR  25  15.228   5.943 -12.494
  144    HE2  TYR  25           HE2      TYR  25  16.940   2.350 -10.958
  145    HH   TYR  25           HH       TYR  25  17.754   3.679 -12.828
  146    H    CYS  26           H        CYS  26  16.906   6.767  -7.361
  147    HA   CYS  26           HA       CYS  26  15.628   9.193  -8.439
  148    HB2  CYS  26          2HB       CYS  26  18.292   9.060  -7.023
  149    HB3  CYS  26          3HB       CYS  26  17.362  10.499  -7.430
  150    H    GLY  27           H        GLY  27  16.418  10.120 -10.282
  151    HA2  GLY  27          2HA       GLY  27  18.872   9.077 -11.470
  152    HA3  GLY  27          3HA       GLY  27  17.385   8.802 -12.366
  153    H    ASN  28           H        ASN  28  19.967  10.616 -12.503
  154    HA   ASN  28           HA       ASN  28  20.501  12.598 -13.480
  155    HB2  ASN  28          2HB       ASN  28  18.263  11.713 -14.826
  156    HB3  ASN  28          3HB       ASN  28  17.805  13.345 -14.346
  157   HD21  ASN  28          1HD2      ASN  28  18.125  12.592 -16.990
  158   HD22  ASN  28          2HD2      ASN  28  19.488  13.424 -17.650
  159    H    ASN  29           H        ASN  29  19.445  12.447 -10.710
  160    HA   ASN  29           HA       ASN  29  18.612  15.260 -10.432
  161    HB2  ASN  29          2HB       ASN  29  17.988  13.199  -8.343
  162    HB3  ASN  29          3HB       ASN  29  17.178  14.728  -8.672
  163   HD21  ASN  29          1HD2      ASN  29  16.421  14.734 -11.138
  164   HD22  ASN  29          2HD2      ASN  29  15.442  13.370 -11.549
  165    H    GLY  30           H        GLY  30  19.912  12.685  -8.325
  166    HA2  GLY  30          2HA       GLY  30  22.443  13.363  -7.886
  167    HA3  GLY  30          3HA       GLY  30  21.623  14.654  -7.021
  168    H    VAL  31           H        VAL  31  22.766  13.789  -5.148
  169    HA   VAL  31           HA       VAL  31  21.906  11.205  -4.147
  170    HB   VAL  31           HB       VAL  31  23.602  13.269  -2.740
  171   HG11  VAL  31          1HG1      VAL  31  22.681  10.559  -2.110
  172   HG12  VAL  31          2HG1      VAL  31  24.411  10.818  -1.880
  173   HG13  VAL  31          3HG1      VAL  31  23.245  11.844  -1.043
  174   HG21  VAL  31          1HG2      VAL  31  25.541  12.022  -3.545
  175   HG22  VAL  31          2HG2      VAL  31  24.482  10.961  -4.475
  176   HG23  VAL  31          3HG2      VAL  31  24.603  12.670  -4.891
  177    H    VAL  32           H        VAL  32  21.434  14.624  -3.401
  178    HA   VAL  32           HA       VAL  32  20.095  14.435  -0.987
  179    HB   VAL  32           HB       VAL  32  19.516  16.380  -3.226
  180   HG11  VAL  32          1HG1      VAL  32  18.232  15.996  -0.732
  181   HG12  VAL  32          2HG1      VAL  32  19.167  17.489  -0.629
  182   HG13  VAL  32          3HG1      VAL  32  17.973  17.282  -1.911
  183   HG21  VAL  32          1HG2      VAL  32  21.737  16.766  -2.817
  184   HG22  VAL  32          2HG2      VAL  32  21.009  17.817  -1.602
  185   HG23  VAL  32          3HG2      VAL  32  21.635  16.235  -1.138
  186    H    THR  33           H        THR  33  18.507  14.787  -4.165
  187    HA   THR  33           HA       THR  33  15.923  14.210  -3.284
  188    HB   THR  33           HB       THR  33  16.413  13.269  -6.000
  189    HG1  THR  33           HG1      THR  33  17.599  14.872  -6.721
  190   HG21  THR  33          1HG2      THR  33  14.817  15.544  -4.816
  191   HG22  THR  33          2HG2      THR  33  14.218  13.938  -5.231
  192   HG23  THR  33          3HG2      THR  33  14.748  15.037  -6.503
  193    H    ARG  34           H        RSS  34  18.462  12.071  -4.497
  194    HB2  ARG  34          2HB       RSS  34  19.340   9.812  -5.473
  195    HB3  ARG  34          3HB       RSS  34  19.872  10.190  -3.840
  196    HG2  ARG  34          2HG       RSS  34  18.406   7.664  -4.094
  197    HG3  ARG  34          3HG       RSS  34  19.944   7.726  -4.958
  198    HD2  ARG  34          2HD       RSS  34  20.769   8.766  -2.669
  199    HD3  ARG  34          3HD       RSS  34  19.387   7.868  -2.041
  200    HE   ARG  34           HE       RSS  34  21.858   6.780  -3.042
  201   HH11  ARG  34          1HH2      RSS  34  22.146   4.524  -2.873
  202   HH12  ARG  34          2HH2      RSS  34  20.782   3.514  -2.530
  203   HH21  ARG  34          1HH1      RSS  34  18.497   6.158  -2.381
  204   HH22  ARG  34          2HH1      RSS  34  18.706   4.443  -2.251
  205    H    ASN  35           H        ASN  35  18.058  11.326  -1.870
  206    HA   ASN  35           HA       ASN  35  17.465   9.061  -0.177
  207    HB2  ASN  35          2HB       ASN  35  18.211  11.928   0.416
  208    HB3  ASN  35          3HB       ASN  35  17.865  10.744   1.673
  209   HD21  ASN  35          1HD2      ASN  35  20.299  12.239   0.252
  210   HD22  ASN  35          2HD2      ASN  35  21.523  11.022   0.317
  211    H    ALA  36           H        ALA  36  16.050  12.269  -0.772
  212    HA   ALA  36           HA       ALA  36  13.913  12.167   0.971
  213    HB1  ALA  36          1HB       ALA  36  14.755  13.877  -1.020
  214    HB2  ALA  36          2HB       ALA  36  13.171  13.342  -1.582
  215    HB3  ALA  36          3HB       ALA  36  13.336  14.093   0.006
  216    H    ASN  37           H        ASN  37  14.264  10.662  -2.186
  217    HA   ASN  37           HA       ASN  37  11.655   9.962  -2.750
  218    HB2  ASN  37          2HB       ASN  37  14.288   8.644  -3.330
  219    HB3  ASN  37          3HB       ASN  37  12.786   7.852  -3.797
  220   HD21  ASN  37          1HD2      ASN  37  12.294   8.188  -5.827
  221   HD22  ASN  37          2HD2      ASN  37  12.578   9.637  -6.724
  222    H    ALA  38           H        ALA  38  14.025   8.113  -0.842
  223    HA   ALA  38           HA       ALA  38  12.392   5.946  -0.201
  224    HB1  ALA  38          1HB       ALA  38  13.916   5.635   1.744
  225    HB2  ALA  38          2HB       ALA  38  14.750   5.841   0.203
  226    HB3  ALA  38          3HB       ALA  38  14.664   7.182   1.345
  227    H    ASN  39           H        ASN  39  12.415   9.184   1.026
  228    HA   ASN  39           HA       ASN  39  11.071   8.670   3.480
  229    HB2  ASN  39          2HB       ASN  39  12.403  10.782   2.681
  230    HB3  ASN  39          3HB       ASN  39  10.843  11.289   2.039
  231   HD21  ASN  39          1HD2      ASN  39  11.387  13.038   3.644
  232   HD22  ASN  39          2HD2      ASN  39  10.796  12.824   5.253
  233    H    VAL  40           H        VAL  40  10.031   9.265   0.195
  234    HA   VAL  40           HA       VAL  40   7.273   9.690   0.872
  235    HB   VAL  40           HB       VAL  40   8.528   9.044  -1.799
  236   HG11  VAL  40          1HG1      VAL  40   5.770  10.031  -1.087
  237   HG12  VAL  40          2HG1      VAL  40   6.427   9.983  -2.724
  238   HG13  VAL  40          3HG1      VAL  40   6.187   8.485  -1.825
  239   HG21  VAL  40          1HG2      VAL  40   9.433  11.097  -1.178
  240   HG22  VAL  40          2HG2      VAL  40   8.022  11.549  -2.134
  241   HG23  VAL  40          3HG2      VAL  40   7.953  11.617  -0.373
  242    H    ALA  41           H        ALA  41   9.277   6.961   0.026
  243    HA   ALA  41           HA       ALA  41   7.026   5.189  -0.384
  244    HB1  ALA  41          1HB       ALA  41   9.998   4.874  -0.479
  245    HB2  ALA  41          2HB       ALA  41   8.954   3.454  -0.409
  246    HB3  ALA  41          3HB       ALA  41   8.800   4.596  -1.744
  247    H    LYS  42           H        KSS  42   9.665   5.488   1.990
  248    HB2  LYS  42          2HB       KSS  42  10.264   4.517   5.372
  249    HB3  LYS  42          3HB       KSS  42  11.018   4.888   3.826
  250    HG2  LYS  42          2HG       KSS  42  11.034   6.982   4.623
  251    HG3  LYS  42          3HG       KSS  42   9.356   6.999   4.077
  252    HD2  LYS  42          2HD       KSS  42   9.078   7.725   6.229
  253    HD3  LYS  42          3HD       KSS  42   8.929   5.984   6.476
  254    HE2  LYS  42          2HE       KSS  42  10.737   5.942   7.775
  255    HE3  LYS  42          3HE       KSS  42  11.691   6.817   6.578
  256    HZ1  LYS  42          1HZ       KSS  42  10.210   7.837   8.883
  257    HZ2  LYS  42          2HZ       KSS  42  10.282   8.818   7.507
  258    HZ3  LYS  42          3HZ       KSS  42  11.710   8.317   8.264
  259    H    THR  43           H        THR  43   7.499   6.571   3.312
  260    HA   THR  43           HA       THR  43   5.926   6.380   5.723
  261    HB   THR  43           HB       THR  43   4.717   8.388   4.682
  262    HG1  THR  43           HG1      THR  43   5.653   7.787   2.516
  263   HG21  THR  43          1HG2      THR  43   6.427   9.906   5.375
  264   HG22  THR  43          2HG2      THR  43   7.689   8.710   5.082
  265   HG23  THR  43          3HG2      THR  43   6.546   8.479   6.404
  266    H    ALA  44           H        ALA  44   5.455   5.842   2.275
  267    HA   ALA  44           HA       ALA  44   2.630   5.408   2.483
  268    HB1  ALA  44          1HB       ALA  44   2.727   5.627   0.279
  269    HB2  ALA  44          2HB       ALA  44   4.482   5.768   0.397
  270    HB3  ALA  44          3HB       ALA  44   3.739   4.188   0.145
  Start of MODEL    7
    1    H1   TRP   1           H        TRP   1   1.707  -2.020  -0.229
    2    HA   TRP   1           HA       TRP   1   2.144  -0.929  -2.179
    3    HB2  TRP   1          2HB       TRP   1  -0.317  -0.337  -1.998
    4    HB3  TRP   1          3HB       TRP   1   0.189   1.195  -1.291
    5    HD1  TRP   1           HD1      TRP   1   0.230   3.074  -3.011
    6    HE1  TRP   1           HE1      TRP   1   0.682   3.268  -5.537
    7    HE3  TRP   1           HE3      TRP   1   1.247  -1.831  -4.033
    8    HZ2  TRP   1           HZ2      TRP   1   1.377   1.567  -7.680
    9    HZ3  TRP   1           HZ3      TRP   1   1.795  -2.464  -6.347
   10    HH2  TRP   1           HH2      TRP   1   1.858  -0.799  -8.131
   11    H    GLY   2           H        GLY   2   4.202  -0.253  -2.054
   12    HA2  GLY   2          2HA       GLY   2   4.670   2.501  -1.218
   13    HA3  GLY   2          3HA       GLY   2   5.556   1.260  -0.344
   14    H    CYS   3           H        CYS   3   5.186   2.937  -3.374
   15    HA   CYS   3           HA       CYS   3   7.904   2.241  -4.092
   16    HB2  CYS   3          2HB       CYS   3   5.664   0.888  -5.276
   17    HB3  CYS   3          3HB       CYS   3   6.466   1.868  -6.499
   18    H    VAL   4           H        VAL   4   8.844   4.060  -4.714
   19    HA   VAL   4           HA       VAL   4   7.202   6.108  -6.058
   20    HB   VAL   4           HB       VAL   4   7.913   6.775  -3.777
   21   HG11  VAL   4          1HG1      VAL   4  10.390   5.686  -4.628
   22   HG12  VAL   4          2HG1      VAL   4  10.637   7.399  -4.284
   23   HG13  VAL   4          3HG1      VAL   4   9.962   6.339  -3.047
   24   HG21  VAL   4          1HG2      VAL   4   8.509   8.970  -4.357
   25   HG22  VAL   4          2HG2      VAL   4   9.369   8.446  -5.806
   26   HG23  VAL   4          3HG2      VAL   4   7.608   8.368  -5.748
   27    H    CYS   5           H        CYS   5   8.174   7.324  -7.714
   28    HA   CYS   5           HA       CYS   5  10.805   6.452  -8.653
   29    HB2  CYS   5          2HB       CYS   5   8.378   6.543 -10.456
   30    HB3  CYS   5          3HB       CYS   5  10.015   6.087 -10.918
   31    H    SER   6           H        SER   6  11.907   7.966  -9.899
   32    HA   SER   6           HA       SER   6  10.876  10.687  -9.660
   33    HB2  SER   6          2HB       SER   6  13.308  11.176 -10.515
   34    HB3  SER   6          3HB       SER   6  13.053  10.656  -8.849
   35    HG   SER   6           HG       SER   6  14.741   9.517 -10.022
   36    H    GLY   7           H        GLY   7   9.340   9.733 -11.470
   37    HA2  GLY   7          2HA       GLY   7  10.004  11.125 -13.858
   38    HA3  GLY   7          3HA       GLY   7  10.171   9.391 -14.092
   39    H    SER   8           H        SER   8   8.317   8.057 -13.926
   40    HA   SER   8           HA       SER   8   5.747   9.487 -13.956
   41    HB2  SER   8          2HB       SER   8   6.761   8.750 -16.271
   42    HB3  SER   8          3HB       SER   8   6.173   7.158 -15.792
   43    HG   SER   8           HG       SER   8   4.728   8.727 -17.016
   44    H    THR   9           H        THR   9   3.894   7.777 -13.937
   45    HA   THR   9           HA       THR   9   4.247   6.238 -11.544
   46    HB   THR   9           HB       THR   9   1.858   6.238 -13.395
   47    HG1  THR   9           HG1      THR   9   1.522   8.198 -12.695
   48   HG21  THR   9          1HG2      THR   9   1.798   4.423 -11.805
   49   HG22  THR   9          2HG2      THR   9   0.641   5.657 -11.306
   50   HG23  THR   9          3HG2      THR   9   2.194   5.519 -10.482
   51    H    ALA  10           H        ALA  10   3.797   5.502 -14.974
   52    HA   ALA  10           HA       ALA  10   3.442   2.768 -14.869
   53    HB1  ALA  10          1HB       ALA  10   4.911   4.434 -16.902
   54    HB2  ALA  10          2HB       ALA  10   4.523   2.728 -17.126
   55    HB3  ALA  10          3HB       ALA  10   3.227   3.911 -16.949
   56    H    VAL  11           H        VAL  11   6.450   4.614 -14.698
   57    HA   VAL  11           HA       VAL  11   8.093   2.244 -14.610
   58    HB   VAL  11           HB       VAL  11   8.980   4.280 -15.621
   59   HG11  VAL  11          1HG1      VAL  11   8.708   5.452 -12.856
   60   HG12  VAL  11          2HG1      VAL  11   9.580   6.208 -14.191
   61   HG13  VAL  11          3HG1      VAL  11   7.838   5.950 -14.307
   62   HG21  VAL  11          1HG2      VAL  11  11.056   3.742 -14.993
   63   HG22  VAL  11          2HG2      VAL  11  10.762   4.209 -13.318
   64   HG23  VAL  11          3HG2      VAL  11  10.297   2.603 -13.880
   65    H    ALA  12           H        ALS  12   6.625   4.440 -12.333
   66    HB1  ALA  12          1HB       ALS  12   6.314   4.752  -8.776
   67    HB2  ALA  12          2HB       ALS  12   6.517   5.720 -10.237
   68    HB3  ALA  12          3HB       ALS  12   5.215   4.534 -10.139
   69    H    ASN  13           H        ASN  13   5.159   2.353 -11.229
   70    HA   ASN  13           HA       ASN  13   5.189   0.375  -9.141
   71    HB2  ASN  13          2HB       ASN  13   3.163  -0.410 -10.046
   72    HB3  ASN  13          3HB       ASN  13   3.125   1.326 -10.342
   73   HD21  ASN  13          1HD2      ASN  13   3.629   2.082 -12.467
   74   HD22  ASN  13          2HD2      ASN  13   3.350   1.065 -13.836
   75    H    SER  14           H        SER  14   6.376   0.642 -12.390
   76    HA   SER  14           HA       SER  14   6.588  -1.998 -13.175
   77    HB2  SER  14          2HB       SER  14   7.162  -0.179 -14.677
   78    HB3  SER  14          3HB       SER  14   8.528   0.276 -13.658
   79    HG   SER  14           HG       SER  14   9.062  -1.036 -15.528
   80    H    HIS  15           H        HIS  15   8.538  -0.200 -10.887
   81    HA   HIS  15           HA       HIS  15  10.383  -2.441 -10.569
   82    HB2  HIS  15          2HB       HIS  15  10.560   0.392 -10.210
   83    HB3  HIS  15          3HB       HIS  15  10.923  -0.394  -8.676
   84    HD1  HIS  15           HD1      HIS  15  13.104  -1.716  -8.512
   85    HD2  HIS  15           HD2      HIS  15  12.396  -0.144 -12.292
   86    HE1  HIS  15           HE1      HIS  15  15.261  -2.000  -9.773
   87    H    ASN  16           H        NSS  16   8.530  -0.341  -8.352
   88    HB2  ASN  16          2HB       NSS  16   6.376  -2.354  -8.079
   89    HB3  ASN  16          3HB       NSS  16   7.001  -3.566  -6.965
   90   HD21  ASN  16          1HD2      NSS  16   5.086  -0.618  -7.156
   91   HD22  ASN  16          2HD2      NSS  16   4.100  -0.954  -5.777
   92    H    ALA  17           H        ALA  17   7.424  -2.901  -4.656
   93    HA   ALA  17           HA       ALA  17   9.827  -4.395  -4.414
   94    HB1  ALA  17          1HB       ALA  17   9.853  -1.729  -3.331
   95    HB2  ALA  17          2HB       ALA  17  10.053  -2.925  -2.050
   96    HB3  ALA  17          3HB       ALA  17  11.155  -2.915  -3.426
   97    H    GLY  18           H        GLY  18   7.339  -2.824  -2.390
   98    HA2  GLY  18          2HA       GLY  18   5.772  -4.954  -1.793
   99    HA3  GLY  18          3HA       GLY  18   7.126  -5.148  -0.690
  100    HA   PRO  19           HA       PRO  19   3.818  -2.190   0.988
  101    HB2  PRO  19          2HB       PRO  19   2.846  -3.804   2.942
  102    HB3  PRO  19          3HB       PRO  19   2.176  -3.764   1.307
  103    HG2  PRO  19          2HG       PRO  19   4.097  -5.714   2.520
  104    HG3  PRO  19          3HG       PRO  19   2.696  -6.024   1.477
  105    HD2  PRO  19          2HD       PRO  19   5.237  -6.009   0.539
  106    HD3  PRO  19          3HD       PRO  19   3.852  -5.494  -0.446
  107    H    ALA  20           H        ALA  20   6.135  -4.399   2.441
  108    HA   ALA  20           HA       ALA  20   6.572  -2.477   4.628
  109    HB1  ALA  20          1HB       ALA  20   7.306  -5.398   4.478
  110    HB2  ALA  20          2HB       ALA  20   7.631  -4.326   5.841
  111    HB3  ALA  20          3HB       ALA  20   5.968  -4.704   5.393
  112    H    TYR  21           H        TYR  21   7.634  -2.407   1.821
  113    HA   TYR  21           HA       TYR  21  10.495  -2.325   2.518
  114    HB2  TYR  21          2HB       TYR  21   9.217  -3.162  -0.087
  115    HB3  TYR  21          3HB       TYR  21  10.931  -2.800   0.078
  116    HD1  TYR  21           HD1      TYR  21  12.409  -4.499   0.649
  117    HD2  TYR  21           HD2      TYR  21   8.271  -4.986   1.512
  118    HE1  TYR  21           HE1      TYR  21  12.834  -6.817   1.356
  119    HE2  TYR  21           HE2      TYR  21   8.685  -7.304   2.222
  120    HH   TYR  21           HH       TYR  21  10.182  -8.952   2.344
  121    H    CYS  22           H        CYS  22  11.590  -0.499   2.021
  122    HA   CYS  22           HA       CYS  22  10.052   1.658   0.736
  123    HB2  CYS  22          2HB       CYS  22  12.209   1.726   2.844
  124    HB3  CYS  22          3HB       CYS  22  11.708   3.164   1.960
  125    H    VAL  23           H        VAL  23  10.656   2.062  -1.278
  126    HA   VAL  23           HA       VAL  23  13.522   1.916  -1.945
  127    HB   VAL  23           HB       VAL  23  11.252   1.133  -3.778
  128   HG11  VAL  23          1HG1      VAL  23  13.390   0.174  -5.005
  129   HG12  VAL  23          2HG1      VAL  23  12.846   1.834  -5.254
  130   HG13  VAL  23          3HG1      VAL  23  14.177   1.498  -4.147
  131   HG21  VAL  23          1HG2      VAL  23  12.180  -1.149  -3.580
  132   HG22  VAL  23          2HG2      VAL  23  13.281  -0.568  -2.331
  133   HG23  VAL  23          3HG2      VAL  23  11.540  -0.537  -2.054
  134    H    GLY  24           H        GLY  24  14.353   3.617  -3.034
  135    HA2  GLY  24          2HA       GLY  24  12.457   5.627  -4.072
  136    HA3  GLY  24          3HA       GLY  24  13.820   6.095  -3.068
  137    H    TYR  25           H        TYR  25  12.767   5.960  -6.162
  138    HA   TYR  25           HA       TYR  25  15.104   5.066  -7.524
  139    HB2  TYR  25          2HB       TYR  25  12.592   5.436  -8.335
  140    HB3  TYR  25          3HB       TYR  25  13.244   6.996  -8.825
  141    HD1  TYR  25           HD1      TYR  25  13.127   3.442  -9.528
  142    HD2  TYR  25           HD2      TYR  25  15.088   7.094 -10.488
  143    HE1  TYR  25           HE1      TYR  25  14.021   2.416 -11.577
  144    HE2  TYR  25           HE2      TYR  25  15.987   6.078 -12.539
  145    HH   TYR  25           HH       TYR  25  14.933   3.730 -14.045
  146    H    CYS  26           H        CYS  26  16.979   6.081  -7.686
  147    HA   CYS  26           HA       CYS  26  17.046   8.986  -7.942
  148    HB2  CYS  26          2HB       CYS  26  18.466   7.439  -5.774
  149    HB3  CYS  26          3HB       CYS  26  18.953   9.058  -6.264
  150    H    GLY  27           H        GLY  27  18.770   9.754  -9.122
  151    HA2  GLY  27          2HA       GLY  27  21.198   8.613  -9.645
  152    HA3  GLY  27          3HA       GLY  27  20.110   7.830 -10.781
  153    H    ASN  28           H        ASN  28  22.380   9.969 -10.849
  154    HA   ASN  28           HA       ASN  28  22.938  11.734 -12.170
  155    HB2  ASN  28          2HB       ASN  28  21.885  10.231 -13.900
  156    HB3  ASN  28          3HB       ASN  28  20.392  11.142 -13.687
  157   HD21  ASN  28          1HD2      ASN  28  20.763  11.472 -16.027
  158   HD22  ASN  28          2HD2      ASN  28  21.728  12.822 -16.507
  159    H    ASN  29           H        ASN  29  21.157  12.085  -9.830
  160    HA   ASN  29           HA       ASN  29  20.051  14.708 -10.580
  161    HB2  ASN  29          2HB       ASN  29  18.832  12.950  -8.454
  162    HB3  ASN  29          3HB       ASN  29  18.145  14.389  -9.202
  163   HD21  ASN  29          1HD2      ASN  29  17.619  11.294  -9.009
  164   HD22  ASN  29          2HD2      ASN  29  17.076  10.925 -10.607
  165    H    GLY  30           H        GLY  30  20.950  12.729  -7.746
  166    HA2  GLY  30          2HA       GLY  30  23.014  14.036  -6.695
  167    HA3  GLY  30          3HA       GLY  30  21.708  15.142  -6.297
  168    H    VAL  31           H        VAL  31  22.575  14.602  -4.090
  169    HA   VAL  31           HA       VAL  31  21.857  11.999  -3.046
  170    HB   VAL  31           HB       VAL  31  22.856  14.444  -1.577
  171   HG11  VAL  31          1HG1      VAL  31  23.526  12.690   0.124
  172   HG12  VAL  31          2HG1      VAL  31  21.799  13.031  -0.007
  173   HG13  VAL  31          3HG1      VAL  31  22.472  11.578  -0.748
  174   HG21  VAL  31          1HG2      VAL  31  24.198  12.554  -3.288
  175   HG22  VAL  31          2HG2      VAL  31  24.826  14.011  -2.518
  176   HG23  VAL  31          3HG2      VAL  31  24.838  12.477  -1.647
  177    H    VAL  32           H        VAL  32  20.750  15.348  -2.712
  178    HA   VAL  32           HA       VAL  32  18.838  15.045  -0.742
  179    HB   VAL  32           HB       VAL  32  18.570  16.796  -3.189
  180   HG11  VAL  32          1HG1      VAL  32  16.618  17.366  -2.288
  181   HG12  VAL  32          2HG1      VAL  32  16.940  16.414  -0.838
  182   HG13  VAL  32          3HG1      VAL  32  17.520  18.076  -0.950
  183   HG21  VAL  32          1HG2      VAL  32  19.582  18.538  -1.681
  184   HG22  VAL  32          2HG2      VAL  32  20.017  17.229  -0.583
  185   HG23  VAL  32          3HG2      VAL  32  20.686  17.270  -2.214
  186    H    THR  33           H        THR  33  18.278  14.857  -4.262
  187    HA   THR  33           HA       THR  33  15.607  14.118  -4.189
  188    HB   THR  33           HB       THR  33  17.199  12.798  -6.295
  189    HG1  THR  33           HG1      THR  33  18.417  14.486  -6.647
  190   HG21  THR  33          1HG2      THR  33  14.751  13.040  -6.393
  191   HG22  THR  33          2HG2      THR  33  15.546  13.862  -7.736
  192   HG23  THR  33          3HG2      THR  33  14.933  14.794  -6.370
  193    H    ARG  34           H        RSS  34  18.482  12.026  -4.228
  194    HB2  ARG  34          2HB       RSS  34  19.638   9.698  -4.494
  195    HB3  ARG  34          3HB       RSS  34  19.762  10.429  -2.900
  196    HG2  ARG  34          2HG       RSS  34  18.473   7.805  -2.908
  197    HG3  ARG  34          3HG       RSS  34  20.151   7.795  -3.457
  198    HD2  ARG  34          2HD       RSS  34  20.734   9.096  -1.395
  199    HD3  ARG  34          3HD       RSS  34  19.082   8.835  -0.840
  200    HE   ARG  34           HE       RSS  34  19.649   6.690  -0.286
  201   HH11  ARG  34          1HH2      RSS  34  21.046   4.903  -0.048
  202   HH12  ARG  34          2HH2      RSS  34  22.552   4.878  -0.902
  203   HH21  ARG  34          1HH1      RSS  34  22.065   7.984  -2.434
  204   HH22  ARG  34          2HH1      RSS  34  23.132   6.631  -2.259
  205    H    ASN  35           H        ASN  35  17.503  11.777  -1.660
  206    HA   ASN  35           HA       ASN  35  16.612   9.847   0.296
  207    HB2  ASN  35          2HB       ASN  35  17.071  12.831   0.433
  208    HB3  ASN  35          3HB       ASN  35  16.519  11.870   1.802
  209   HD21  ASN  35          1HD2      ASN  35  19.139  13.259   0.525
  210   HD22  ASN  35          2HD2      ASN  35  20.376  12.216   1.132
  211    H    ALA  36           H        ALA  36  15.253  12.696  -1.328
  212    HA   ALA  36           HA       ALA  36  12.781  12.810  -0.105
  213    HB1  ALA  36          1HB       ALA  36  13.878  14.300  -1.954
  214    HB2  ALA  36          2HB       ALA  36  12.955  13.266  -3.046
  215    HB3  ALA  36          3HB       ALA  36  12.123  14.205  -1.808
  216    H    ASN  37           H        ASN  37  13.808  10.782  -2.819
  217    HA   ASN  37           HA       ASN  37  11.291   9.676  -3.410
  218    HB2  ASN  37          2HB       ASN  37  14.102   8.672  -3.854
  219    HB3  ASN  37          3HB       ASN  37  12.685   7.788  -4.412
  220   HD21  ASN  37          1HD2      ASN  37  11.905   8.267  -6.342
  221   HD22  ASN  37          2HD2      ASN  37  12.300   9.671  -7.268
  222    H    ALA  38           H        ALA  38  13.997   8.195  -1.612
  223    HA   ALA  38           HA       ALA  38  12.624   5.949  -0.710
  224    HB1  ALA  38          1HB       ALA  38  14.961   5.921  -0.503
  225    HB2  ALA  38          2HB       ALA  38  14.985   7.435   0.401
  226    HB3  ALA  38          3HB       ALA  38  14.359   5.969   1.155
  227    H    ASN  39           H        ASN  39  12.512   9.231   0.391
  228    HA   ASN  39           HA       ASN  39  11.468   8.722   2.989
  229    HB2  ASN  39          2HB       ASN  39  12.477  10.844   2.649
  230    HB3  ASN  39          3HB       ASN  39  11.498  11.164   1.220
  231   HD21  ASN  39          1HD2      ASN  39  10.198  12.790   1.649
  232   HD22  ASN  39          2HD2      ASN  39   9.256  12.989   3.083
  233    H    VAL  40           H        VAL  40  10.059   9.111  -0.189
  234    HA   VAL  40           HA       VAL  40   7.358   9.351   0.761
  235    HB   VAL  40           HB       VAL  40   8.359   8.696  -2.013
  236   HG11  VAL  40          1HG1      VAL  40   5.657   9.657  -1.079
  237   HG12  VAL  40          2HG1      VAL  40   6.145   9.410  -2.757
  238   HG13  VAL  40          3HG1      VAL  40   6.034   8.035  -1.657
  239   HG21  VAL  40          1HG2      VAL  40   8.892  10.838  -2.252
  240   HG22  VAL  40          2HG2      VAL  40   7.281  11.331  -1.731
  241   HG23  VAL  40          3HG2      VAL  40   8.557  11.087  -0.538
  242    H    ALA  41           H        ALA  41   9.482   6.757  -0.195
  243    HA   ALA  41           HA       ALA  41   7.347   4.805  -0.340
  244    HB1  ALA  41          1HB       ALA  41  10.164   3.915  -0.209
  245    HB2  ALA  41          2HB       ALA  41   8.859   3.405  -1.280
  246    HB3  ALA  41          3HB       ALA  41   9.709   4.919  -1.587
  247    H    LYS  42           H        KSS  42  10.187   5.356   1.742
  248    HB2  LYS  42          2HB       KSS  42  11.209   4.512   5.051
  249    HB3  LYS  42          3HB       KSS  42  11.753   4.912   3.427
  250    HG2  LYS  42          2HG       KSS  42  10.495   7.027   3.557
  251    HG3  LYS  42          3HG       KSS  42  10.043   6.628   5.216
  252    HD2  LYS  42          2HD       KSS  42  12.681   6.333   5.438
  253    HD3  LYS  42          3HD       KSS  42  12.657   7.492   4.107
  254    HE2  LYS  42          2HE       KSS  42  11.770   9.160   5.395
  255    HE3  LYS  42          3HE       KSS  42  10.936   8.037   6.468
  256    HZ1  LYS  42          1HZ       KSS  42  12.847   9.222   7.492
  257    HZ2  LYS  42          2HZ       KSS  42  13.880   8.397   6.437
  258    HZ3  LYS  42          3HZ       KSS  42  12.964   7.536   7.569
  259    H    THR  43           H        THR  43   8.146   6.390   3.285
  260    HA   THR  43           HA       THR  43   6.791   6.089   5.830
  261    HB   THR  43           HB       THR  43   6.362   8.140   3.648
  262    HG1  THR  43           HG1      THR  43   8.075   9.054   4.468
  263   HG21  THR  43          1HG2      THR  43   5.332   9.434   5.563
  264   HG22  THR  43          2HG2      THR  43   5.330   7.922   6.471
  265   HG23  THR  43          3HG2      THR  43   4.398   8.057   4.980
  266    H    ALA  44           H        ALA  44   6.130   5.625   2.421
  267    HA   ALA  44           HA       ALA  44   3.314   5.310   2.671
  268    HB1  ALA  44          1HB       ALA  44   3.548   4.207   0.401
  269    HB2  ALA  44          2HB       ALA  44   4.121   5.870   0.529
  270    HB3  ALA  44          3HB       ALA  44   5.276   4.537   0.529
  Start of MODEL    8
    1    H1   TRP   1           H        TRP   1   2.091  -0.230   1.273
    2    HA   TRP   1           HA       TRP   1   3.429  -1.252  -0.578
    3    HB2  TRP   1          2HB       TRP   1   2.586  -0.942  -2.845
    4    HB3  TRP   1          3HB       TRP   1   1.421  -1.848  -1.884
    5    HD1  TRP   1           HD1      TRP   1  -0.561  -0.073  -0.727
    6    HE1  TRP   1           HE1      TRP   1  -1.888   1.728  -2.000
    7    HE3  TRP   1           HE3      TRP   1   2.546   0.539  -4.741
    8    HZ2  TRP   1           HZ2      TRP   1  -1.649   3.212  -4.389
    9    HZ3  TRP   1           HZ3      TRP   1   1.924   2.169  -6.476
   10    HH2  TRP   1           HH2      TRP   1  -0.130   3.476  -6.302
   11    H    GLY   2           H        GLY   2   5.123   0.019  -0.988
   12    HA2  GLY   2          2HA       GLY   2   4.642   2.899  -1.404
   13    HA3  GLY   2          3HA       GLY   2   5.838   2.356  -0.237
   14    H    CYS   3           H        CYS   3   5.233   3.139  -3.482
   15    HA   CYS   3           HA       CYS   3   8.011   2.543  -4.152
   16    HB2  CYS   3          2HB       CYS   3   5.933   0.908  -5.047
   17    HB3  CYS   3          3HB       CYS   3   6.285   1.960  -6.414
   18    H    VAL   4           H        VAL   4   8.884   4.358  -4.873
   19    HA   VAL   4           HA       VAL   4   7.200   6.214  -6.427
   20    HB   VAL   4           HB       VAL   4   7.750   7.117  -4.194
   21   HG11  VAL   4          1HG1      VAL   4   9.848   6.050  -3.754
   22   HG12  VAL   4          2HG1      VAL   4  10.593   6.826  -5.153
   23   HG13  VAL   4          3HG1      VAL   4  10.110   7.793  -3.759
   24   HG21  VAL   4          1HG2      VAL   4   7.722   8.429  -6.515
   25   HG22  VAL   4          2HG2      VAL   4   8.026   9.233  -4.976
   26   HG23  VAL   4          3HG2      VAL   4   9.376   8.790  -6.020
   27    H    CYS   5           H        CYS   5   8.161   7.298  -8.161
   28    HA   CYS   5           HA       CYS   5  10.879   6.492  -8.904
   29    HB2  CYS   5          2HB       CYS   5   8.549   6.377 -10.827
   30    HB3  CYS   5          3HB       CYS   5  10.216   5.914 -11.155
   31    H    SER   6           H        SER   6  12.029   8.012 -10.021
   32    HA   SER   6           HA       SER   6  10.916  10.686 -10.043
   33    HB2  SER   6          2HB       SER   6  13.182  10.377  -9.195
   34    HB3  SER   6          3HB       SER   6  13.686   9.675 -10.732
   35    HG   SER   6           HG       SER   6  13.515  12.269 -10.018
   36    H    GLY   7           H        GLY   7   9.444   9.433 -11.815
   37    HA2  GLY   7          2HA       GLY   7  10.062  10.765 -14.276
   38    HA3  GLY   7          3HA       GLY   7  10.246   9.022 -14.404
   39    H    SER   8           H        SER   8   8.493   7.824 -14.816
   40    HA   SER   8           HA       SER   8   5.885   9.188 -14.742
   41    HB2  SER   8          2HB       SER   8   7.176   7.423 -16.702
   42    HB3  SER   8          3HB       SER   8   5.509   6.980 -16.336
   43    HG   SER   8           HG       SER   8   4.883   8.634 -17.454
   44    H    THR   9           H        THR   9   4.032   7.456 -14.666
   45    HA   THR   9           HA       THR   9   4.315   6.121 -12.135
   46    HB   THR   9           HB       THR   9   1.919   5.387 -12.614
   47    HG1  THR   9           HG1      THR   9   1.396   5.650 -14.654
   48   HG21  THR   9          1HG2      THR   9   1.069   7.391 -11.819
   49   HG22  THR   9          2HG2      THR   9   2.163   8.364 -12.802
   50   HG23  THR   9          3HG2      THR   9   2.772   7.518 -11.379
   51    H    ALA  10           H        ALA  10   4.379   5.216 -15.488
   52    HA   ALA  10           HA       ALA  10   3.841   2.455 -15.188
   53    HB1  ALA  10          1HB       ALA  10   5.363   3.937 -17.326
   54    HB2  ALA  10          2HB       ALA  10   4.894   2.240 -17.423
   55    HB3  ALA  10          3HB       ALA  10   3.656   3.494 -17.348
   56    H    VAL  11           H        VAL  11   6.778   4.372 -14.962
   57    HA   VAL  11           HA       VAL  11   8.488   2.050 -14.764
   58    HB   VAL  11           HB       VAL  11   9.380   4.052 -15.808
   59   HG11  VAL  11          1HG1      VAL  11   9.840   6.069 -14.428
   60   HG12  VAL  11          2HG1      VAL  11   8.122   5.761 -14.685
   61   HG13  VAL  11          3HG1      VAL  11   8.870   5.357 -13.139
   62   HG21  VAL  11          1HG2      VAL  11  11.046   4.211 -13.444
   63   HG22  VAL  11          2HG2      VAL  11  10.635   2.544 -13.848
   64   HG23  VAL  11          3HG2      VAL  11  11.420   3.573 -15.046
   65    H    ALA  12           H        ALS  12   6.852   4.249 -12.616
   66    HB1  ALA  12          1HB       ALS  12   6.706   5.618 -10.540
   67    HB2  ALA  12          2HB       ALS  12   5.392   4.441 -10.499
   68    HB3  ALA  12          3HB       ALS  12   6.415   4.671  -9.080
   69    H    ASN  13           H        ASN  13   5.402   2.197 -11.527
   70    HA   ASN  13           HA       ASN  13   5.329   0.296  -9.372
   71    HB2  ASN  13          2HB       ASN  13   3.364  -0.532 -10.351
   72    HB3  ASN  13          3HB       ASN  13   3.339   1.182 -10.755
   73   HD21  ASN  13          1HD2      ASN  13   3.954   1.813 -12.886
   74   HD22  ASN  13          2HD2      ASN  13   3.773   0.712 -14.205
   75    H    SER  14           H        SER  14   6.736   0.465 -12.533
   76    HA   SER  14           HA       SER  14   7.015  -2.196 -13.219
   77    HB2  SER  14          2HB       SER  14   7.700  -0.540 -14.792
   78    HB3  SER  14          3HB       SER  14   8.864   0.151 -13.662
   79    HG   SER  14           HG       SER  14   9.396  -1.593 -15.471
   80    H    HIS  15           H        HIS  15   8.999  -0.252 -11.033
   81    HA   HIS  15           HA       HIS  15  10.699  -2.538 -10.431
   82    HB2  HIS  15          2HB       HIS  15  10.853   0.373 -10.060
   83    HB3  HIS  15          3HB       HIS  15  11.474  -0.558  -8.700
   84    HD1  HIS  15           HD1      HIS  15  12.151   0.241 -12.285
   85    HD2  HIS  15           HD2      HIS  15  13.828  -1.992  -9.209
   86    HE1  HIS  15           HE1      HIS  15  14.449  -0.390 -13.088
   87    H    ASN  16           H        NSS  16   8.850  -0.190  -8.476
   88    HB2  ASN  16          2HB       NSS  16   6.625  -2.107  -8.103
   89    HB3  ASN  16          3HB       NSS  16   7.171  -3.231  -6.863
   90   HD21  ASN  16          1HD2      NSS  16   5.167  -0.467  -7.548
   91   HD22  ASN  16          2HD2      NSS  16   4.198  -0.567  -6.121
   92    H    ALA  17           H        ALA  17   7.536  -2.370  -4.608
   93    HA   ALA  17           HA       ALA  17   9.988  -3.796  -4.154
   94    HB1  ALA  17          1HB       ALA  17   9.566  -2.021  -1.880
   95    HB2  ALA  17          2HB       ALA  17  11.056  -2.459  -2.718
   96    HB3  ALA  17          3HB       ALA  17  10.031  -1.172  -3.355
   97    H    GLY  18           H        GLY  18   7.367  -2.347  -2.200
   98    HA2  GLY  18          2HA       GLY  18   5.632  -4.287  -1.776
   99    HA3  GLY  18          3HA       GLY  18   6.995  -4.923  -0.867
  100    HA   PRO  19           HA       PRO  19   4.337  -1.900   1.660
  101    HB2  PRO  19          2HB       PRO  19   3.131  -3.718   3.276
  102    HB3  PRO  19          3HB       PRO  19   2.432  -3.181   1.744
  103    HG2  PRO  19          2HG       PRO  19   3.976  -5.672   2.352
  104    HG3  PRO  19          3HG       PRO  19   2.512  -5.475   1.371
  105    HD2  PRO  19          2HD       PRO  19   4.978  -5.704   0.277
  106    HD3  PRO  19          3HD       PRO  19   3.690  -4.734  -0.466
  107    H    ALA  20           H        ALA  20   6.405  -4.626   2.279
  108    HA   ALA  20           HA       ALA  20   7.080  -3.579   4.940
  109    HB1  ALA  20          1HB       ALA  20   7.970  -5.706   5.471
  110    HB2  ALA  20          2HB       ALA  20   6.435  -6.002   4.654
  111    HB3  ALA  20          3HB       ALA  20   7.954  -6.215   3.783
  112    H    TYR  21           H        TYR  21   7.962  -2.498   2.281
  113    HA   TYR  21           HA       TYR  21  10.784  -2.298   2.953
  114    HB2  TYR  21          2HB       TYR  21   9.902  -3.111   0.177
  115    HB3  TYR  21          3HB       TYR  21  11.556  -2.829   0.709
  116    HD1  TYR  21           HD1      TYR  21   8.820  -5.194   0.560
  117    HD2  TYR  21           HD2      TYR  21  12.616  -4.412   2.317
  118    HE1  TYR  21           HE1      TYR  21   9.017  -7.567   1.177
  119    HE2  TYR  21           HE2      TYR  21  12.824  -6.783   2.937
  120    HH   TYR  21           HH       TYR  21  11.923  -8.962   2.213
  121    H    CYS  22           H        CYS  22  11.872  -0.678   1.413
  122    HA   CYS  22           HA       CYS  22  10.017   1.341   0.405
  123    HB2  CYS  22          2HB       CYS  22  12.086   1.821   2.550
  124    HB3  CYS  22          3HB       CYS  22  11.394   3.121   1.586
  125    H    VAL  23           H        VAL  23  10.720   2.295  -1.412
  126    HA   VAL  23           HA       VAL  23  13.576   2.157  -2.075
  127    HB   VAL  23           HB       VAL  23  11.350   1.358  -3.956
  128   HG11  VAL  23          1HG1      VAL  23  14.325   1.585  -4.386
  129   HG12  VAL  23          2HG1      VAL  23  13.204   0.819  -5.513
  130   HG13  VAL  23          3HG1      VAL  23  13.064   2.542  -5.162
  131   HG21  VAL  23          1HG2      VAL  23  13.617  -0.343  -2.943
  132   HG22  VAL  23          2HG2      VAL  23  12.030  -0.300  -2.174
  133   HG23  VAL  23          3HG2      VAL  23  12.187  -0.855  -3.840
  134    H    GLY  24           H        GLY  24  14.366   3.896  -3.175
  135    HA2  GLY  24          2HA       GLY  24  12.415   5.930  -4.052
  136    HA3  GLY  24          3HA       GLY  24  13.792   6.371  -3.054
  137    H    TYR  25           H        TYR  25  12.667   5.742  -6.224
  138    HA   TYR  25           HA       TYR  25  15.218   5.389  -7.464
  139    HB2  TYR  25          2HB       TYR  25  12.767   4.819  -8.302
  140    HB3  TYR  25          3HB       TYR  25  12.879   6.432  -8.998
  141    HD1  TYR  25           HD1      TYR  25  14.495   3.095  -8.945
  142    HD2  TYR  25           HD2      TYR  25  14.109   6.815 -10.974
  143    HE1  TYR  25           HE1      TYR  25  15.742   2.176 -10.855
  144    HE2  TYR  25           HE2      TYR  25  15.353   5.905 -12.891
  145    HH   TYR  25           HH       TYR  25  15.888   2.675 -13.370
  146    H    CYS  26           H        CYS  26  16.704   6.920  -7.623
  147    HA   CYS  26           HA       CYS  26  16.215   9.431  -8.810
  148    HB2  CYS  26          2HB       CYS  26  16.862  10.822  -6.781
  149    HB3  CYS  26          3HB       CYS  26  15.232  10.156  -6.778
  150    H    GLY  27           H        GLY  27  17.983   7.667  -9.593
  151    HA2  GLY  27          2HA       GLY  27  20.580   8.432  -8.431
  152    HA3  GLY  27          3HA       GLY  27  20.286   6.992  -9.394
  153    H    ASN  28           H        ASN  28  19.518  10.426  -9.941
  154    HA   ASN  28           HA       ASN  28  21.499  10.748 -11.962
  155    HB2  ASN  28          2HB       ASN  28  19.744   9.296 -13.094
  156    HB3  ASN  28          3HB       ASN  28  18.656  10.675 -12.976
  157   HD21  ASN  28          1HD2      ASN  28  18.543  10.666 -15.264
  158   HD22  ASN  28          2HD2      ASN  28  19.812  11.355 -16.212
  159    H    ASN  29           H        ASN  29  20.505  12.097  -9.592
  160    HA   ASN  29           HA       ASN  29  20.150  14.742 -10.766
  161    HB2  ASN  29          2HB       ASN  29  18.269  13.535  -8.732
  162    HB3  ASN  29          3HB       ASN  29  18.359  15.263  -9.063
  163   HD21  ASN  29          1HD2      ASN  29  17.139  12.245 -10.062
  164   HD22  ASN  29          2HD2      ASN  29  16.312  12.786 -11.479
  165    H    GLY  30           H        GLY  30  20.374  12.959  -7.685
  166    HA2  GLY  30          2HA       GLY  30  22.799  13.995  -6.856
  167    HA3  GLY  30          3HA       GLY  30  21.582  15.125  -6.281
  168    H    VAL  31           H        VAL  31  22.600  14.389  -4.195
  169    HA   VAL  31           HA       VAL  31  21.847  11.753  -3.270
  170    HB   VAL  31           HB       VAL  31  23.068  14.061  -1.748
  171   HG11  VAL  31          1HG1      VAL  31  21.977  11.556  -0.877
  172   HG12  VAL  31          2HG1      VAL  31  23.712  11.602  -0.562
  173   HG13  VAL  31          3HG1      VAL  31  22.664  12.867   0.080
  174   HG21  VAL  31          1HG2      VAL  31  24.822  13.557  -3.074
  175   HG22  VAL  31          2HG2      VAL  31  25.024  12.212  -1.952
  176   HG23  VAL  31          3HG2      VAL  31  24.190  11.963  -3.486
  177    H    VAL  32           H        VAL  32  20.893  15.107  -2.650
  178    HA   VAL  32           HA       VAL  32  19.114  14.716  -0.562
  179    HB   VAL  32           HB       VAL  32  18.802  16.689  -2.829
  180   HG11  VAL  32          1HG1      VAL  32  17.616  18.035  -1.097
  181   HG12  VAL  32          2HG1      VAL  32  16.774  16.555  -1.562
  182   HG13  VAL  32          3HG1      VAL  32  17.663  16.624  -0.040
  183   HG21  VAL  32          1HG2      VAL  32  20.911  17.161  -2.002
  184   HG22  VAL  32          2HG2      VAL  32  19.886  18.209  -1.021
  185   HG23  VAL  32          3HG2      VAL  32  20.485  16.689  -0.357
  186    H    THR  33           H        THR  33  18.378  14.766  -4.050
  187    HA   THR  33           HA       THR  33  15.665  14.191  -3.880
  188    HB   THR  33           HB       THR  33  17.064  12.911  -6.140
  189    HG1  THR  33           HG1      THR  33  18.187  14.608  -6.742
  190   HG21  THR  33          1HG2      THR  33  15.453  14.497  -7.354
  191   HG22  THR  33          2HG2      THR  33  14.793  14.842  -5.755
  192   HG23  THR  33          3HG2      THR  33  14.749  13.198  -6.392
  193    H    ARG  34           H        RSS  34  18.402  11.944  -4.212
  194    HB2  ARG  34          2HB       RSS  34  19.393   9.573  -4.685
  195    HB3  ARG  34          3HB       RSS  34  19.658  10.196  -3.062
  196    HG2  ARG  34          2HG       RSS  34  18.200   7.686  -3.060
  197    HG3  ARG  34          3HG       RSS  34  19.778   7.559  -3.840
  198    HD2  ARG  34          2HD       RSS  34  20.779   8.652  -1.837
  199    HD3  ARG  34          3HD       RSS  34  19.197   8.574  -1.062
  200    HE   ARG  34           HE       RSS  34  20.026   6.018  -1.989
  201   HH11  ARG  34          1HH2      RSS  34  20.654   4.448  -0.458
  202   HH12  ARG  34          2HH2      RSS  34  21.071   4.942   1.147
  203   HH21  ARG  34          1HH1      RSS  34  20.511   8.343   0.556
  204   HH22  ARG  34          2HH1      RSS  34  20.989   7.158   1.726
  205    H    ASN  35           H        ASN  35  17.564  11.594  -1.605
  206    HA   ASN  35           HA       ASN  35  16.672   9.601   0.287
  207    HB2  ASN  35          2HB       ASN  35  17.284  12.548   0.595
  208    HB3  ASN  35          3HB       ASN  35  16.829  11.488   1.926
  209   HD21  ASN  35          1HD2      ASN  35  19.360  12.960   0.682
  210   HD22  ASN  35          2HD2      ASN  35  20.614  11.820   1.019
  211    H    ALA  36           H        ALA  36  15.386  12.557  -1.178
  212    HA   ALA  36           HA       ALA  36  12.999  12.746   0.240
  213    HB1  ALA  36          1HB       ALA  36  12.649  14.489  -1.096
  214    HB2  ALA  36          2HB       ALA  36  14.175  14.087  -1.884
  215    HB3  ALA  36          3HB       ALA  36  12.656  13.474  -2.538
  216    H    ASN  37           H        ASN  37  13.821  10.804  -2.587
  217    HA   ASN  37           HA       ASN  37  11.203   9.916  -3.167
  218    HB2  ASN  37          2HB       ASN  37  13.924   8.769  -3.796
  219    HB3  ASN  37          3HB       ASN  37  12.428   8.033  -4.363
  220   HD21  ASN  37          1HD2      ASN  37  11.435   8.848  -6.110
  221   HD22  ASN  37          2HD2      ASN  37  11.975  10.236  -6.986
  222    H    ALA  38           H        ALA  38  13.880   8.251  -1.497
  223    HA   ALA  38           HA       ALA  38  12.489   5.971  -0.735
  224    HB1  ALA  38          1HB       ALA  38  14.805   7.383   0.566
  225    HB2  ALA  38          2HB       ALA  38  14.195   5.820   1.111
  226    HB3  ALA  38          3HB       ALA  38  14.849   5.993  -0.518
  227    H    ASN  39           H        ASN  39  12.363   9.186   0.547
  228    HA   ASN  39           HA       ASN  39  11.273   8.529   3.093
  229    HB2  ASN  39          2HB       ASN  39  11.578  11.025   1.481
  230    HB3  ASN  39          3HB       ASN  39  10.453  11.037   2.836
  231   HD21  ASN  39          1HD2      ASN  39  13.384  11.971   2.064
  232   HD22  ASN  39          2HD2      ASN  39  14.224  11.733   3.555
  233    H    VAL  40           H        VAL  40   9.918   9.149  -0.077
  234    HA   VAL  40           HA       VAL  40   7.204   9.327   0.844
  235    HB   VAL  40           HB       VAL  40   8.222   8.844  -1.959
  236   HG11  VAL  40          1HG1      VAL  40   6.057   8.477  -2.376
  237   HG12  VAL  40          2HG1      VAL  40   5.561   9.082  -0.794
  238   HG13  VAL  40          3HG1      VAL  40   5.843  10.209  -2.121
  239   HG21  VAL  40          1HG2      VAL  40   9.088  10.906  -1.674
  240   HG22  VAL  40          2HG2      VAL  40   7.421  11.424  -1.928
  241   HG23  VAL  40          3HG2      VAL  40   8.054  11.264  -0.290
  242    H    ALA  41           H        ALA  41   9.334   6.800  -0.265
  243    HA   ALA  41           HA       ALA  41   7.199   4.871  -0.586
  244    HB1  ALA  41          1HB       ALA  41   8.728   3.527  -1.583
  245    HB2  ALA  41          2HB       ALA  41   9.579   5.060  -1.779
  246    HB3  ALA  41          3HB       ALA  41  10.015   3.972  -0.462
  247    H    LYS  42           H        KSS  42   9.994   5.265   1.590
  248    HB2  LYS  42          2HB       KSS  42  10.945   4.182   4.850
  249    HB3  LYS  42          3HB       KSS  42  11.523   4.693   3.270
  250    HG2  LYS  42          2HG       KSS  42  10.262   6.799   3.526
  251    HG3  LYS  42          3HG       KSS  42   9.792   6.287   5.149
  252    HD2  LYS  42          2HD       KSS  42  12.428   5.970   5.374
  253    HD3  LYS  42          3HD       KSS  42  12.418   7.221   4.129
  254    HE2  LYS  42          2HE       KSS  42  11.085   8.663   5.552
  255    HE3  LYS  42          3HE       KSS  42  10.983   7.400   6.778
  256    HZ1  LYS  42          1HZ       KSS  42  12.764   9.312   6.907
  257    HZ2  LYS  42          2HZ       KSS  42  13.645   8.255   5.924
  258    HZ3  LYS  42          3HZ       KSS  42  13.111   7.746   7.446
  259    H    THR  43           H        THR  43   7.934   6.203   3.166
  260    HA   THR  43           HA       THR  43   6.514   5.714   5.649
  261    HB   THR  43           HB       THR  43   6.164   7.950   3.642
  262    HG1  THR  43           HG1      THR  43   7.915   8.704   4.542
  263   HG21  THR  43          1HG2      THR  43   5.150   9.081   5.696
  264   HG22  THR  43          2HG2      THR  43   5.041   7.463   6.390
  265   HG23  THR  43          3HG2      THR  43   4.177   7.844   4.901
  266    H    ALA  44           H        ALA  44   5.945   5.538   2.198
  267    HA   ALA  44           HA       ALA  44   3.106   5.174   2.428
  268    HB1  ALA  44          1HB       ALA  44   3.273   4.548   0.010
  269    HB2  ALA  44          2HB       ALA  44   3.927   6.138   0.408
  270    HB3  ALA  44          3HB       ALA  44   5.017   4.779   0.134
  Start of MODEL    9
    1    H1   TRP   1           H        TRP   1   1.195  -1.372  -0.420
    2    HA   TRP   1           HA       TRP   1   2.197  -0.612  -2.404
    3    HB2  TRP   1          2HB       TRP   1  -0.210  -0.013  -2.357
    4    HB3  TRP   1          3HB       TRP   1   0.216   1.559  -1.685
    5    HD1  TRP   1           HD1      TRP   1   0.591   3.435  -3.393
    6    HE1  TRP   1           HE1      TRP   1   0.946   3.557  -5.939
    7    HE3  TRP   1           HE3      TRP   1   0.939  -1.564  -4.404
    8    HZ2  TRP   1           HZ2      TRP   1   1.323   1.770  -8.092
    9    HZ3  TRP   1           HZ3      TRP   1   1.296  -2.275  -6.732
   10    HH2  TRP   1           HH2      TRP   1   1.483  -0.641  -8.537
   11    H    GLY   2           H        GLY   2   4.302  -0.137  -1.230
   12    HA2  GLY   2          2HA       GLY   2   4.814   2.771  -1.190
   13    HA3  GLY   2          3HA       GLY   2   5.715   1.592  -0.248
   14    H    CYS   3           H        CYS   3   5.287   3.060  -3.368
   15    HA   CYS   3           HA       CYS   3   7.958   2.239  -4.127
   16    HB2  CYS   3          2HB       CYS   3   5.755   0.754  -5.052
   17    HB3  CYS   3          3HB       CYS   3   6.251   1.767  -6.404
   18    H    VAL   4           H        VAL   4   8.873   4.084  -4.715
   19    HA   VAL   4           HA       VAL   4   7.281   6.006  -6.287
   20    HB   VAL   4           HB       VAL   4   7.850   6.827  -4.013
   21   HG11  VAL   4          1HG1      VAL   4  10.594   7.469  -4.449
   22   HG12  VAL   4          2HG1      VAL   4   9.871   6.526  -3.145
   23   HG13  VAL   4          3HG1      VAL   4  10.378   5.729  -4.636
   24   HG21  VAL   4          1HG2      VAL   4   9.480   8.545  -5.779
   25   HG22  VAL   4          2HG2      VAL   4   7.842   8.189  -6.327
   26   HG23  VAL   4          3HG2      VAL   4   8.101   8.951  -4.758
   27    H    CYS   5           H        CYS   5   8.323   7.120  -7.968
   28    HA   CYS   5           HA       CYS   5  11.016   6.230  -8.695
   29    HB2  CYS   5          2HB       CYS   5   8.713   6.217 -10.653
   30    HB3  CYS   5          3HB       CYS   5  10.370   5.711 -10.965
   31    H    SER   6           H        SER   6  12.193   7.691  -9.920
   32    HA   SER   6           HA       SER   6  11.190  10.417  -9.845
   33    HB2  SER   6          2HB       SER   6  13.440  10.065  -9.026
   34    HB3  SER   6          3HB       SER   6  13.910   9.283 -10.535
   35    HG   SER   6           HG       SER   6  12.939  11.935 -10.476
   36    H    GLY   7           H        GLY   7   9.565   9.874 -11.541
   37    HA2  GLY   7          2HA       GLY   7  10.225  11.018 -13.989
   38    HA3  GLY   7          3HA       GLY   7  10.357   9.278 -14.196
   39    H    SER   8           H        SER   8   8.490   7.982 -14.008
   40    HA   SER   8           HA       SER   8   5.942   9.453 -13.999
   41    HB2  SER   8          2HB       SER   8   6.623   7.197 -15.899
   42    HB3  SER   8          3HB       SER   8   5.123   8.124 -15.858
   43    HG   SER   8           HG       SER   8   7.685   9.241 -16.354
   44    H    THR   9           H        THR   9   4.055   7.813 -13.882
   45    HA   THR   9           HA       THR   9   4.462   6.255 -11.506
   46    HB   THR   9           HB       THR   9   1.958   6.196 -13.173
   47    HG1  THR   9           HG1      THR   9   1.450   8.050 -11.608
   48   HG21  THR   9          1HG2      THR   9   2.739   5.528 -10.403
   49   HG22  THR   9          2HG2      THR   9   1.499   4.816 -11.435
   50   HG23  THR   9          3HG2      THR   9   1.184   6.335 -10.596
   51    H    ALA  10           H        ALA  10   4.067   5.601 -14.927
   52    HA   ALA  10           HA       ALA  10   3.511   2.864 -14.821
   53    HB1  ALA  10          1HB       ALA  10   4.962   4.495 -16.896
   54    HB2  ALA  10          2HB       ALA  10   4.510   2.804 -17.118
   55    HB3  ALA  10          3HB       ALA  10   3.261   4.026 -16.885
   56    H    VAL  11           H        VAL  11   6.569   4.606 -14.658
   57    HA   VAL  11           HA       VAL  11   8.141   2.181 -14.690
   58    HB   VAL  11           HB       VAL  11   9.097   4.172 -15.687
   59   HG11  VAL  11          1HG1      VAL  11   9.759   6.087 -14.227
   60   HG12  VAL  11          2HG1      VAL  11   8.017   5.906 -14.442
   61   HG13  VAL  11          3HG1      VAL  11   8.782   5.377 -12.943
   62   HG21  VAL  11          1HG2      VAL  11  10.367   2.507 -13.873
   63   HG22  VAL  11          2HG2      VAL  11  11.146   3.553 -15.061
   64   HG23  VAL  11          3HG2      VAL  11  10.894   4.126 -13.412
   65    H    ALA  12           H        ALS  12   6.779   4.349 -12.330
   66    HB1  ALA  12          1HB       ALS  12   5.476   4.523 -10.115
   67    HB2  ALA  12          2HB       ALS  12   6.597   4.605  -8.756
   68    HB3  ALA  12          3HB       ALS  12   6.863   5.611 -10.180
   69    H    ASN  13           H        ASN  13   5.262   2.348 -11.251
   70    HA   ASN  13           HA       ASN  13   5.192   0.338  -9.198
   71    HB2  ASN  13          2HB       ASN  13   3.114  -0.297 -10.081
   72    HB3  ASN  13          3HB       ASN  13   3.187   1.433 -10.402
   73   HD21  ASN  13          1HD2      ASN  13   3.738   2.123 -12.540
   74   HD22  ASN  13          2HD2      ASN  13   3.385   1.108 -13.894
   75    H    SER  14           H        SER  14   6.382   0.583 -12.446
   76    HA   SER  14           HA       SER  14   6.436  -2.047 -13.280
   77    HB2  SER  14          2HB       SER  14   8.077   0.360 -13.837
   78    HB3  SER  14          3HB       SER  14   8.788  -1.191 -14.284
   79    HG   SER  14           HG       SER  14   7.584  -0.998 -15.993
   80    H    HIS  15           H        HIS  15   8.413  -0.451 -10.891
   81    HA   HIS  15           HA       HIS  15  10.073  -2.852 -10.597
   82    HB2  HIS  15          2HB       HIS  15  10.557  -0.024 -10.286
   83    HB3  HIS  15          3HB       HIS  15  10.958  -0.879  -8.799
   84    HD1  HIS  15           HD1      HIS  15  11.810  -0.919 -12.489
   85    HD2  HIS  15           HD2      HIS  15  13.347  -2.201  -8.848
   86    HE1  HIS  15           HE1      HIS  15  14.120  -1.772 -12.997
   87    H    ASN  16           H        NSS  16   8.493  -0.473  -8.453
   88    HB2  ASN  16          2HB       NSS  16   6.166  -2.257  -8.046
   89    HB3  ASN  16          3HB       NSS  16   6.695  -3.465  -6.879
   90   HD21  ASN  16          1HD2      NSS  16   4.805  -0.597  -7.383
   91   HD22  ASN  16          2HD2      NSS  16   3.917  -0.678  -5.903
   92    H    ALA  17           H        ALA  17   7.222  -2.726  -4.613
   93    HA   ALA  17           HA       ALA  17   9.510  -4.400  -4.332
   94    HB1  ALA  17          1HB       ALA  17   9.614  -1.712  -3.193
   95    HB2  ALA  17          2HB       ALA  17   9.944  -2.994  -2.027
   96    HB3  ALA  17          3HB       ALA  17  10.911  -2.869  -3.496
   97    H    GLY  18           H        GLY  18   7.145  -2.603  -2.347
   98    HA2  GLY  18          2HA       GLY  18   5.364  -4.486  -1.697
   99    HA3  GLY  18          3HA       GLY  18   6.722  -4.950  -0.683
  100    HA   PRO  19           HA       PRO  19   4.005  -1.603   1.307
  101    HB2  PRO  19          2HB       PRO  19   2.841  -3.152   3.208
  102    HB3  PRO  19          3HB       PRO  19   2.131  -2.898   1.610
  103    HG2  PRO  19          2HG       PRO  19   3.735  -5.213   2.623
  104    HG3  PRO  19          3HG       PRO  19   2.268  -5.219   1.628
  105    HD2  PRO  19          2HD       PRO  19   4.740  -5.569   0.580
  106    HD3  PRO  19          3HD       PRO  19   3.430  -4.768  -0.311
  107    H    ALA  20           H        ALA  20   5.971  -4.250   2.522
  108    HA   ALA  20           HA       ALA  20   6.721  -2.650   4.866
  109    HB1  ALA  20          1HB       ALA  20   6.725  -5.556   4.258
  110    HB2  ALA  20          2HB       ALA  20   7.946  -4.942   5.373
  111    HB3  ALA  20          3HB       ALA  20   6.234  -4.705   5.723
  112    H    TYR  21           H        TYR  21   7.653  -2.249   2.041
  113    HA   TYR  21           HA       TYR  21  10.524  -2.265   2.647
  114    HB2  TYR  21          2HB       TYR  21   9.254  -3.194   0.067
  115    HB3  TYR  21          3HB       TYR  21  10.969  -2.839   0.241
  116    HD1  TYR  21           HD1      TYR  21  12.422  -4.314   1.521
  117    HD2  TYR  21           HD2      TYR  21   8.280  -5.176   1.073
  118    HE1  TYR  21           HE1      TYR  21  12.822  -6.610   2.306
  119    HE2  TYR  21           HE2      TYR  21   8.668  -7.474   1.859
  120    HH   TYR  21           HH       TYR  21  11.905  -8.705   2.412
  121    H    CYS  22           H        CYS  22  11.660  -0.507   1.915
  122    HA   CYS  22           HA       CYS  22  10.070   1.598   0.600
  123    HB2  CYS  22          2HB       CYS  22  12.302   1.873   2.623
  124    HB3  CYS  22          3HB       CYS  22  11.550   3.222   1.777
  125    H    VAL  23           H        VAL  23  10.707   2.047  -1.393
  126    HA   VAL  23           HA       VAL  23  13.570   1.835  -2.047
  127    HB   VAL  23           HB       VAL  23  11.296   1.014  -3.860
  128   HG11  VAL  23          1HG1      VAL  23  12.966   1.838  -5.266
  129   HG12  VAL  23          2HG1      VAL  23  14.264   1.210  -4.248
  130   HG13  VAL  23          3HG1      VAL  23  13.283   0.104  -5.210
  131   HG21  VAL  23          1HG2      VAL  23  13.223  -0.551  -2.181
  132   HG22  VAL  23          2HG2      VAL  23  11.473  -0.724  -2.320
  133   HG23  VAL  23          3HG2      VAL  23  12.518  -1.245  -3.641
  134    H    GLY  24           H        GLY  24  14.337   3.756  -2.614
  135    HA2  GLY  24          2HA       GLY  24  12.487   5.687  -3.864
  136    HA3  GLY  24          3HA       GLY  24  13.881   6.129  -2.890
  137    H    TYR  25           H        TYR  25  12.718   5.527  -6.020
  138    HA   TYR  25           HA       TYR  25  15.191   4.902  -7.291
  139    HB2  TYR  25          2HB       TYR  25  12.592   4.786  -8.070
  140    HB3  TYR  25          3HB       TYR  25  13.109   6.253  -8.894
  141    HD1  TYR  25           HD1      TYR  25  13.989   2.666  -8.439
  142    HD2  TYR  25           HD2      TYR  25  14.295   6.120 -10.905
  143    HE1  TYR  25           HE1      TYR  25  15.005   1.301 -10.215
  144    HE2  TYR  25           HE2      TYR  25  15.310   4.765 -12.688
  145    HH   TYR  25           HH       TYR  25  15.143   1.560 -12.884
  146    H    CYS  26           H        CYS  26  16.854   6.236  -7.457
  147    HA   CYS  26           HA       CYS  26  16.327   9.094  -7.938
  148    HB2  CYS  26          2HB       CYS  26  18.516   7.909  -6.218
  149    HB3  CYS  26          3HB       CYS  26  18.355   9.616  -6.616
  150    H    GLY  27           H        GLY  27  17.028   9.667  -9.880
  151    HA2  GLY  27          2HA       GLY  27  18.937   8.034 -11.311
  152    HA3  GLY  27          3HA       GLY  27  18.105   9.454 -11.928
  153    H    ASN  28           H        ASN  28  19.688  10.724 -12.683
  154    HA   ASN  28           HA       ASN  28  22.073  11.143 -11.028
  155    HB2  ASN  28          2HB       ASN  28  22.231  10.485 -13.496
  156    HB3  ASN  28          3HB       ASN  28  21.674  12.116 -13.854
  157   HD21  ASN  28          1HD2      ASN  28  23.514  12.832 -14.813
  158   HD22  ASN  28          2HD2      ASN  28  25.011  13.042 -13.976
  159    H    ASN  29           H        ASN  29  19.606  12.329 -10.244
  160    HA   ASN  29           HA       ASN  29  19.725  15.118 -11.022
  161    HB2  ASN  29          2HB       ASN  29  17.966  13.645  -9.051
  162    HB3  ASN  29          3HB       ASN  29  17.819  15.361  -9.418
  163   HD21  ASN  29          1HD2      ASN  29  16.715  12.338 -10.157
  164   HD22  ASN  29          2HD2      ASN  29  16.001  12.669 -11.695
  165    H    GLY  30           H        GLY  30  20.688  13.091  -8.341
  166    HA2  GLY  30          2HA       GLY  30  22.721  14.419  -7.298
  167    HA3  GLY  30          3HA       GLY  30  21.395  15.412  -6.713
  168    H    VAL  31           H        VAL  31  22.283  14.810  -4.593
  169    HA   VAL  31           HA       VAL  31  21.746  12.063  -3.757
  170    HB   VAL  31           HB       VAL  31  22.913  14.326  -2.132
  171   HG11  VAL  31          1HG1      VAL  31  23.709  11.689  -1.339
  172   HG12  VAL  31          2HG1      VAL  31  22.877  12.932  -0.403
  173   HG13  VAL  31          3HG1      VAL  31  21.950  11.795  -1.382
  174   HG21  VAL  31          1HG2      VAL  31  25.035  12.830  -2.554
  175   HG22  VAL  31          2HG2      VAL  31  24.150  12.372  -4.009
  176   HG23  VAL  31          3HG2      VAL  31  24.549  14.064  -3.717
  177    H    VAL  32           H        VAL  32  20.618  15.348  -3.223
  178    HA   VAL  32           HA       VAL  32  18.985  14.973  -1.010
  179    HB   VAL  32           HB       VAL  32  18.473  16.780  -3.378
  180   HG11  VAL  32          1HG1      VAL  32  17.415  18.055  -1.242
  181   HG12  VAL  32          2HG1      VAL  32  16.488  17.033  -2.342
  182   HG13  VAL  32          3HG1      VAL  32  17.081  16.376  -0.817
  183   HG21  VAL  32          1HG2      VAL  32  20.014  17.177  -0.822
  184   HG22  VAL  32          2HG2      VAL  32  20.614  17.292  -2.476
  185   HG23  VAL  32          3HG2      VAL  32  19.494  18.506  -1.858
  186    H    THR  33           H        THR  33  18.115  14.694  -4.453
  187    HA   THR  33           HA       THR  33  15.447  13.973  -4.116
  188    HB   THR  33           HB       THR  33  16.794  12.601  -6.340
  189    HG1  THR  33           HG1      THR  33  18.038  14.224  -6.857
  190   HG21  THR  33          1HG2      THR  33  14.381  12.921  -6.271
  191   HG22  THR  33          2HG2      THR  33  15.073  13.802  -7.633
  192   HG23  THR  33          3HG2      THR  33  14.598  14.668  -6.173
  193    H    ARG  34           H        RSS  34  18.332  11.913  -4.334
  194    HB2  ARG  34          2HB       RSS  34  19.503   9.597  -4.634
  195    HB3  ARG  34          3HB       RSS  34  19.722  10.359  -3.065
  196    HG2  ARG  34          2HG       RSS  34  18.475   7.717  -2.943
  197    HG3  ARG  34          3HG       RSS  34  20.114   7.722  -3.599
  198    HD2  ARG  34          2HD       RSS  34  19.825   9.408  -1.242
  199    HD3  ARG  34          3HD       RSS  34  19.430   7.718  -0.929
  200    HE   ARG  34           HE       RSS  34  21.829   7.808  -2.361
  201   HH11  ARG  34          1HH2      RSS  34  23.833   7.541  -1.304
  202   HH12  ARG  34          2HH2      RSS  34  23.944   7.838   0.397
  203   HH21  ARG  34          1HH1      RSS  34  20.574   8.694   0.763
  204   HH22  ARG  34          2HH1      RSS  34  22.091   8.493   1.574
  205    H    ASN  35           H        ASN  35  17.529  11.698  -1.702
  206    HA   ASN  35           HA       ASN  35  16.807   9.795   0.346
  207    HB2  ASN  35          2HB       ASN  35  17.209  12.790   0.386
  208    HB3  ASN  35          3HB       ASN  35  16.761  11.855   1.809
  209   HD21  ASN  35          1HD2      ASN  35  19.280  13.171   0.172
  210   HD22  ASN  35          2HD2      ASN  35  20.568  12.200   0.792
  211    H    ALA  36           H        ALA  36  15.283  12.614  -1.194
  212    HA   ALA  36           HA       ALA  36  12.883  12.635   0.184
  213    HB1  ALA  36          1HB       ALA  36  13.899  14.124  -1.800
  214    HB2  ALA  36          2HB       ALA  36  12.720  13.183  -2.714
  215    HB3  ALA  36          3HB       ALA  36  12.196  14.157  -1.340
  216    H    ASN  37           H        ASN  37  13.695  10.848  -2.784
  217    HA   ASN  37           HA       ASN  37  11.238   9.673  -3.275
  218    HB2  ASN  37          2HB       ASN  37  14.048   8.699  -3.773
  219    HB3  ASN  37          3HB       ASN  37  12.637   7.785  -4.298
  220   HD21  ASN  37          1HD2      ASN  37  11.626   8.353  -6.125
  221   HD22  ASN  37          2HD2      ASN  37  12.042   9.720  -7.096
  222    H    ALA  38           H        ALA  38  13.955   8.205  -1.485
  223    HA   ALA  38           HA       ALA  38  12.618   5.923  -0.620
  224    HB1  ALA  38          1HB       ALA  38  14.932   5.893  -0.361
  225    HB2  ALA  38          2HB       ALA  38  14.955   7.444   0.478
  226    HB3  ALA  38          3HB       ALA  38  14.332   6.010   1.293
  227    H    ASN  39           H        ASN  39  12.430   9.192   0.514
  228    HA   ASN  39           HA       ASN  39  11.364   8.633   3.093
  229    HB2  ASN  39          2HB       ASN  39  12.199  10.916   1.694
  230    HB3  ASN  39          3HB       ASN  39  10.490  11.177   2.027
  231   HD21  ASN  39          1HD2      ASN  39  12.873  12.491   3.111
  232   HD22  ASN  39          2HD2      ASN  39  12.769  12.309   4.827
  233    H    VAL  40           H        VAL  40   9.985   9.043  -0.097
  234    HA   VAL  40           HA       VAL  40   7.269   9.215   0.826
  235    HB   VAL  40           HB       VAL  40   8.322   8.633  -1.946
  236   HG11  VAL  40          1HG1      VAL  40   5.601   8.975  -0.823
  237   HG12  VAL  40          2HG1      VAL  40   5.934   9.727  -2.384
  238   HG13  VAL  40          3HG1      VAL  40   6.154   7.989  -2.176
  239   HG21  VAL  40          1HG2      VAL  40   7.554  11.204  -0.580
  240   HG22  VAL  40          2HG2      VAL  40   9.113  10.775  -1.284
  241   HG23  VAL  40          3HG2      VAL  40   7.719  11.046  -2.329
  242    H    ALA  41           H        ALA  41   9.452   6.679  -0.157
  243    HA   ALA  41           HA       ALA  41   7.359   4.688  -0.356
  244    HB1  ALA  41          1HB       ALA  41  10.015   4.920  -1.280
  245    HB2  ALA  41          2HB       ALA  41   9.957   3.515  -0.214
  246    HB3  ALA  41          3HB       ALA  41   8.861   3.622  -1.591
  247    H    LYS  42           H        KSS  42  10.156   5.273   1.773
  248    HB2  LYS  42          2HB       KSS  42  11.155   4.397   5.081
  249    HB3  LYS  42          3HB       KSS  42  11.711   4.837   3.472
  250    HG2  LYS  42          2HG       KSS  42  10.401   6.918   3.617
  251    HG3  LYS  42          3HG       KSS  42   9.933   6.481   5.262
  252    HD2  LYS  42          2HD       KSS  42  12.815   6.673   4.435
  253    HD3  LYS  42          3HD       KSS  42  11.906   8.088   4.971
  254    HE2  LYS  42          2HE       KSS  42  11.494   5.902   6.786
  255    HE3  LYS  42          3HE       KSS  42  13.220   6.179   6.559
  256    HZ1  LYS  42          1HZ       KSS  42  13.087   8.287   7.420
  257    HZ2  LYS  42          2HZ       KSS  42  11.928   7.491   8.360
  258    HZ3  LYS  42          3HZ       KSS  42  11.442   8.466   7.065
  259    H    THR  43           H        THR  43   8.080   6.235   3.315
  260    HA   THR  43           HA       THR  43   6.673   5.808   5.822
  261    HB   THR  43           HB       THR  43   6.105   7.962   3.787
  262    HG1  THR  43           HG1      THR  43   8.101   7.809   5.797
  263   HG21  THR  43          1HG2      THR  43   5.464   7.527   6.684
  264   HG22  THR  43          2HG2      THR  43   4.389   7.981   5.361
  265   HG23  THR  43          3HG2      THR  43   5.530   9.157   6.014
  266    H    ALA  44           H        ALA  44   6.146   5.455   2.390
  267    HA   ALA  44           HA       ALA  44   3.318   5.194   2.486
  268    HB1  ALA  44          1HB       ALA  44   3.596   4.171   0.222
  269    HB2  ALA  44          2HB       ALA  44   4.342   5.759   0.407
  270    HB3  ALA  44          3HB       ALA  44   5.341   4.306   0.439
  Start of MODEL   10
    1    H1   TRP   1           H        TRP   1   1.621   0.117   0.742
    2    HA   TRP   1           HA       TRP   1   3.079  -0.704  -1.635
    3    HB2  TRP   1          2HB       TRP   1   0.677   1.058  -1.177
    4    HB3  TRP   1          3HB       TRP   1   1.458   0.934  -2.751
    5    HD1  TRP   1           HD1      TRP   1  -0.850  -0.941  -0.404
    6    HE1  TRP   1           HE1      TRP   1  -1.738  -3.044  -1.593
    7    HE3  TRP   1           HE3      TRP   1   2.145  -0.858  -4.547
    8    HZ2  TRP   1           HZ2      TRP   1  -1.236  -4.478  -3.971
    9    HZ3  TRP   1           HZ3      TRP   1   1.878  -2.632  -6.231
   10    HH2  TRP   1           HH2      TRP   1   0.222  -4.404  -5.947
   11    H    GLY   2           H        GLY   2   5.089   0.251  -0.634
   12    HA2  GLY   2          2HA       GLY   2   5.210   3.170  -1.014
   13    HA3  GLY   2          3HA       GLY   2   6.340   2.226  -0.055
   14    H    CYS   3           H        CYS   3   5.427   3.227  -3.266
   15    HA   CYS   3           HA       CYS   3   8.116   2.571  -4.193
   16    HB2  CYS   3          2HB       CYS   3   5.982   0.921  -4.829
   17    HB3  CYS   3          3HB       CYS   3   6.119   1.972  -6.236
   18    H    VAL   4           H        VAL   4   8.913   4.421  -4.918
   19    HA   VAL   4           HA       VAL   4   7.143   6.210  -6.454
   20    HB   VAL   4           HB       VAL   4   7.710   7.157  -4.236
   21   HG11  VAL   4          1HG1      VAL   4  10.041   7.923  -3.856
   22   HG12  VAL   4          2HG1      VAL   4   9.870   6.166  -3.866
   23   HG13  VAL   4          3HG1      VAL   4  10.537   6.996  -5.272
   24   HG21  VAL   4          1HG2      VAL   4   8.110   9.317  -5.016
   25   HG22  VAL   4          2HG2      VAL   4   9.145   8.756  -6.328
   26   HG23  VAL   4          3HG2      VAL   4   7.402   8.501  -6.410
   27    H    CYS   5           H        CYS   5   8.051   7.307  -8.213
   28    HA   CYS   5           HA       CYS   5  10.771   6.541  -8.996
   29    HB2  CYS   5          2HB       CYS   5   8.426   6.420 -10.898
   30    HB3  CYS   5          3HB       CYS   5  10.088   5.936 -11.223
   31    H    SER   6           H        SER   6  11.874   8.054 -10.192
   32    HA   SER   6           HA       SER   6  10.757  10.728 -10.154
   33    HB2  SER   6          2HB       SER   6  13.089  10.305  -9.416
   34    HB3  SER   6          3HB       SER   6  13.494   9.798 -11.055
   35    HG   SER   6           HG       SER   6  12.340  12.322 -10.568
   36    H    GLY   7           H        GLY   7   9.104  10.138 -11.791
   37    HA2  GLY   7          2HA       GLY   7   9.634  11.270 -14.266
   38    HA3  GLY   7          3HA       GLY   7   9.851   9.538 -14.467
   39    H    SER   8           H        SER   8   8.072   8.166 -14.352
   40    HA   SER   8           HA       SER   8   5.447   9.493 -14.220
   41    HB2  SER   8          2HB       SER   8   6.588   8.455 -16.530
   42    HB3  SER   8          3HB       SER   8   5.498   7.177 -15.993
   43    HG   SER   8           HG       SER   8   4.539   8.815 -17.380
   44    H    THR   9           H        THR   9   3.677   7.646 -14.195
   45    HA   THR   9           HA       THR   9   4.177   6.157 -11.786
   46    HB   THR   9           HB       THR   9   1.723   6.024 -13.543
   47    HG1  THR   9           HG1      THR   9   1.084   7.866 -12.667
   48   HG21  THR   9          1HG2      THR   9   2.419   4.516 -11.347
   49   HG22  THR   9          2HG2      THR   9   0.777   4.781 -11.934
   50   HG23  THR   9          3HG2      THR   9   1.429   5.798 -10.649
   51    H    ALA  10           H        ALA  10   3.707   5.410 -15.203
   52    HA   ALA  10           HA       ALA  10   3.445   2.658 -15.089
   53    HB1  ALA  10          1HB       ALA  10   4.443   4.575 -17.114
   54    HB2  ALA  10          2HB       ALA  10   4.821   2.869 -17.358
   55    HB3  ALA  10          3HB       ALA  10   3.142   3.389 -17.217
   56    H    VAL  11           H        VAL  11   6.355   4.633 -14.892
   57    HA   VAL  11           HA       VAL  11   8.110   2.335 -14.887
   58    HB   VAL  11           HB       VAL  11   8.920   4.390 -15.887
   59   HG11  VAL  11          1HG1      VAL  11   7.697   6.040 -14.658
   60   HG12  VAL  11          2HG1      VAL  11   8.492   5.581 -13.152
   61   HG13  VAL  11          3HG1      VAL  11   9.417   6.358 -14.437
   62   HG21  VAL  11          1HG2      VAL  11  10.367   3.740 -13.321
   63   HG22  VAL  11          2HG2      VAL  11  10.564   2.913 -14.866
   64   HG23  VAL  11          3HG2      VAL  11  11.057   4.598 -14.698
   65    H    ALA  12           H        ALS  12   6.561   4.417 -12.562
   66    HB1  ALA  12          1HB       ALS  12   5.227   4.535 -10.374
   67    HB2  ALA  12          2HB       ALS  12   6.313   4.685  -8.992
   68    HB3  ALA  12          3HB       ALS  12   6.548   5.704 -10.413
   69    H    ASN  13           H        ASN  13   5.108   2.378 -11.402
   70    HA   ASN  13           HA       ASN  13   5.134   0.386  -9.356
   71    HB2  ASN  13          2HB       ASN  13   3.139  -0.403 -10.292
   72    HB3  ASN  13          3HB       ASN  13   3.112   1.316 -10.675
   73   HD21  ASN  13          1HD2      ASN  13   3.672   1.970 -12.813
   74   HD22  ASN  13          2HD2      ASN  13   3.454   0.885 -14.140
   75    H    SER  14           H        SER  14   6.452   0.646 -12.549
   76    HA   SER  14           HA       SER  14   6.714  -1.993 -13.322
   77    HB2  SER  14          2HB       SER  14   8.069   0.530 -13.939
   78    HB3  SER  14          3HB       SER  14   9.104  -0.884 -14.138
   79    HG   SER  14           HG       SER  14   7.815  -1.634 -15.695
   80    H    HIS  15           H        HIS  15   8.756  -0.117 -11.128
   81    HA   HIS  15           HA       HIS  15  10.454  -2.433 -10.631
   82    HB2  HIS  15          2HB       HIS  15  11.028   0.223 -10.740
   83    HB3  HIS  15          3HB       HIS  15  10.838   0.000  -9.004
   84    HD1  HIS  15           HD1      HIS  15  12.417  -1.918  -7.937
   85    HD2  HIS  15           HD2      HIS  15  13.440  -0.566 -11.730
   86    HE1  HIS  15           HE1      HIS  15  14.800  -2.640  -8.288
   87    H    ASN  16           H        NSS  16   8.684  -0.103  -8.583
   88    HB2  ASN  16          2HB       NSS  16   6.457  -2.012  -8.177
   89    HB3  ASN  16          3HB       NSS  16   7.032  -3.159  -6.971
   90   HD21  ASN  16          1HD2      NSS  16   5.184  -0.206  -7.430
   91   HD22  ASN  16          2HD2      NSS  16   4.195  -0.388  -6.025
   92    H    ALA  17           H        ALA  17   7.467  -2.338  -4.714
   93    HA   ALA  17           HA       ALA  17   9.948  -3.755  -4.354
   94    HB1  ALA  17          1HB       ALA  17   9.635  -2.211  -1.962
   95    HB2  ALA  17          2HB       ALA  17  11.033  -2.342  -3.031
   96    HB3  ALA  17          3HB       ALA  17   9.787  -1.136  -3.352
   97    H    GLY  18           H        GLY  18   7.406  -2.428  -2.221
   98    HA2  GLY  18          2HA       GLY  18   5.829  -4.656  -1.935
   99    HA3  GLY  18          3HA       GLY  18   7.151  -4.903  -0.804
  100    HA   PRO  19           HA       PRO  19   3.713  -2.344   1.133
  101    HB2  PRO  19          2HB       PRO  19   3.129  -4.086   3.131
  102    HB3  PRO  19          3HB       PRO  19   2.344  -4.141   1.549
  103    HG2  PRO  19          2HG       PRO  19   4.610  -5.793   2.596
  104    HG3  PRO  19          3HG       PRO  19   3.197  -6.301   1.652
  105    HD2  PRO  19          2HD       PRO  19   5.634  -5.915   0.536
  106    HD3  PRO  19          3HD       PRO  19   4.122  -5.604  -0.341
  107    H    ALA  20           H        ALA  20   6.264  -4.338   2.580
  108    HA   ALA  20           HA       ALA  20   6.701  -2.230   4.590
  109    HB1  ALA  20          1HB       ALA  20   7.431  -5.154   4.658
  110    HB2  ALA  20          2HB       ALA  20   7.892  -3.977   5.888
  111    HB3  ALA  20          3HB       ALA  20   6.190  -4.345   5.614
  112    H    TYR  21           H        TYR  21   7.687  -2.381   1.759
  113    HA   TYR  21           HA       TYR  21  10.561  -2.160   2.368
  114    HB2  TYR  21          2HB       TYR  21   9.250  -3.291  -0.107
  115    HB3  TYR  21          3HB       TYR  21  10.954  -2.860  -0.026
  116    HD1  TYR  21           HD1      TYR  21   8.393  -5.005   1.621
  117    HD2  TYR  21           HD2      TYR  21  12.513  -4.415   0.742
  118    HE1  TYR  21           HE1      TYR  21   8.902  -7.227   2.545
  119    HE2  TYR  21           HE2      TYR  21  13.034  -6.636   1.662
  120    HH   TYR  21           HH       TYR  21  10.469  -8.764   2.888
  121    H    CYS  22           H        CYS  22  11.548  -0.327   1.747
  122    HA   CYS  22           HA       CYS  22   9.947   1.610   0.210
  123    HB2  CYS  22          2HB       CYS  22  12.125   2.113   2.250
  124    HB3  CYS  22          3HB       CYS  22  11.275   3.362   1.347
  125    H    VAL  23           H        VAL  23  10.754   2.463  -1.621
  126    HA   VAL  23           HA       VAL  23  13.598   2.163  -2.225
  127    HB   VAL  23           HB       VAL  23  11.423   1.192  -4.085
  128   HG11  VAL  23          1HG1      VAL  23  13.533   0.359  -5.340
  129   HG12  VAL  23          2HG1      VAL  23  13.042   2.046  -5.506
  130   HG13  VAL  23          3HG1      VAL  23  14.366   1.614  -4.423
  131   HG21  VAL  23          1HG2      VAL  23  11.858  -0.353  -2.236
  132   HG22  VAL  23          2HG2      VAL  23  12.410  -1.017  -3.774
  133   HG23  VAL  23          3HG2      VAL  23  13.576  -0.345  -2.634
  134    H    GLY  24           H        GLY  24  14.310   4.099  -2.809
  135    HA2  GLY  24          2HA       GLY  24  12.427   5.950  -4.122
  136    HA3  GLY  24          3HA       GLY  24  13.828   6.438  -3.180
  137    H    TYR  25           H        TYR  25  12.636   6.059  -6.253
  138    HA   TYR  25           HA       TYR  25  15.034   5.271  -7.603
  139    HB2  TYR  25          2HB       TYR  25  12.583   5.096  -8.425
  140    HB3  TYR  25          3HB       TYR  25  12.780   6.779  -8.900
  141    HD1  TYR  25           HD1      TYR  25  15.058   7.211 -10.267
  142    HD2  TYR  25           HD2      TYR  25  12.980   3.506 -10.041
  143    HE1  TYR  25           HE1      TYR  25  16.113   6.498 -12.372
  144    HE2  TYR  25           HE2      TYR  25  14.030   2.782 -12.144
  145    HH   TYR  25           HH       TYR  25  15.136   4.393 -14.297
  146    H    CYS  26           H        CYS  26  16.777   6.536  -7.448
  147    HA   CYS  26           HA       CYS  26  16.439   9.415  -7.985
  148    HB2  CYS  26          2HB       CYS  26  18.493   8.099  -6.193
  149    HB3  CYS  26          3HB       CYS  26  18.407   9.820  -6.554
  150    H    GLY  27           H        GLY  27  17.057   9.696 -10.039
  151    HA2  GLY  27          2HA       GLY  27  18.974   8.062 -11.360
  152    HA3  GLY  27          3HA       GLY  27  18.296   9.563 -11.973
  153    H    ASN  28           H        ASN  28  19.909  10.859 -12.542
  154    HA   ASN  28           HA       ASN  28  22.371  10.873 -10.965
  155    HB2  ASN  28          2HB       ASN  28  22.030  10.850 -13.650
  156    HB3  ASN  28          3HB       ASN  28  22.160  12.584 -13.371
  157   HD21  ASN  28          1HD2      ASN  28  24.006  11.049 -14.827
  158   HD22  ASN  28          2HD2      ASN  28  25.515  11.083 -13.987
  159    H    ASN  29           H        ASN  29  19.827  12.119 -10.073
  160    HA   ASN  29           HA       ASN  29  20.160  14.955 -10.265
  161    HB2  ASN  29          2HB       ASN  29  18.403  14.953  -8.419
  162    HB3  ASN  29          3HB       ASN  29  17.936  14.202  -9.942
  163   HD21  ASN  29          1HD2      ASN  29  17.004  12.300  -9.802
  164   HD22  ASN  29          2HD2      ASN  29  17.137  11.194  -8.481
  165    H    GLY  30           H        GLY  30  21.078  12.464  -7.969
  166    HA2  GLY  30          2HA       GLY  30  23.227  13.119  -6.797
  167    HA3  GLY  30          3HA       GLY  30  22.330  14.541  -6.285
  168    H    VAL  31           H        VAL  31  22.916  13.814  -4.117
  169    HA   VAL  31           HA       VAL  31  21.641  11.406  -3.129
  170    HB   VAL  31           HB       VAL  31  23.073  13.532  -1.535
  171   HG11  VAL  31          1HG1      VAL  31  22.089  12.292   0.089
  172   HG12  VAL  31          2HG1      VAL  31  21.937  10.865  -0.938
  173   HG13  VAL  31          3HG1      VAL  31  23.489  11.259  -0.196
  174   HG21  VAL  31          1HG2      VAL  31  24.971  11.804  -1.648
  175   HG22  VAL  31          2HG2      VAL  31  24.118  11.165  -3.053
  176   HG23  VAL  31          3HG2      VAL  31  24.699  12.830  -3.057
  177    H    VAL  32           H        VAL  32  21.054  14.834  -3.189
  178    HA   VAL  32           HA       VAL  32  19.282  15.141  -1.075
  179    HB   VAL  32           HB       VAL  32  19.169  16.499  -3.772
  180   HG11  VAL  32          1HG1      VAL  32  17.410  16.636  -1.536
  181   HG12  VAL  32          2HG1      VAL  32  18.265  18.173  -1.681
  182   HG13  VAL  32          3HG1      VAL  32  17.348  17.540  -3.049
  183   HG21  VAL  32          1HG2      VAL  32  20.285  18.344  -2.299
  184   HG22  VAL  32          2HG2      VAL  32  20.762  16.977  -1.292
  185   HG23  VAL  32          3HG2      VAL  32  21.265  17.046  -2.981
  186    H    THR  33           H        THR  33  18.296  14.778  -4.485
  187    HA   THR  33           HA       THR  33  15.610  14.246  -3.972
  188    HB   THR  33           HB       THR  33  16.677  12.841  -6.319
  189    HG1  THR  33           HG1      THR  33  18.207  14.427  -6.401
  190   HG21  THR  33          1HG2      THR  33  14.463  14.648  -5.584
  191   HG22  THR  33          2HG2      THR  33  14.472  13.234  -6.639
  192   HG23  THR  33          3HG2      THR  33  15.047  14.789  -7.241
  193    H    ARG  34           H        RSS  34  18.366  12.057  -4.210
  194    HB2  ARG  34          2HB       RSS  34  19.467   9.707  -4.510
  195    HB3  ARG  34          3HB       RSS  34  19.635  10.425  -2.914
  196    HG2  ARG  34          2HG       RSS  34  18.283   7.844  -2.878
  197    HG3  ARG  34          3HG       RSS  34  19.927   7.773  -3.515
  198    HD2  ARG  34          2HD       RSS  34  20.653   9.067  -1.483
  199    HD3  ARG  34          3HD       RSS  34  19.029   8.823  -0.840
  200    HE   ARG  34           HE       RSS  34  19.842   6.314  -1.449
  201   HH11  ARG  34          1HH2      RSS  34  20.939   4.910  -0.025
  202   HH12  ARG  34          2HH2      RSS  34  21.903   5.573   1.251
  203   HH21  ARG  34          1HH1      RSS  34  21.234   8.902   0.419
  204   HH22  ARG  34          2HH1      RSS  34  22.071   7.843   1.505
  205    H    ASN  35           H        ASN  35  17.428  11.814  -1.626
  206    HA   ASN  35           HA       ASN  35  16.531   9.891   0.335
  207    HB2  ASN  35          2HB       ASN  35  17.066  12.861   0.474
  208    HB3  ASN  35          3HB       ASN  35  16.501  11.916   1.849
  209   HD21  ASN  35          1HD2      ASN  35  19.121  13.309   0.758
  210   HD22  ASN  35          2HD2      ASN  35  20.344  12.200   1.269
  211    H    ALA  36           H        ALA  36  15.211  12.831  -1.171
  212    HA   ALA  36           HA       ALA  36  12.754  12.933   0.081
  213    HB1  ALA  36          1HB       ALA  36  12.629  13.534  -2.781
  214    HB2  ALA  36          2HB       ALA  36  12.290  14.561  -1.387
  215    HB3  ALA  36          3HB       ALA  36  13.953  14.329  -1.929
  216    H    ASN  37           H        ASN  37  13.727  10.992  -2.712
  217    HA   ASN  37           HA       ASN  37  11.178   9.970  -3.334
  218    HB2  ASN  37          2HB       ASN  37  13.970   8.964  -3.863
  219    HB3  ASN  37          3HB       ASN  37  12.545   8.089  -4.415
  220   HD21  ASN  37          1HD2      ASN  37  11.849   8.556  -6.366
  221   HD22  ASN  37          2HD2      ASN  37  12.169  10.011  -7.240
  222    H    ALA  38           H        ALA  38  13.868   8.400  -1.592
  223    HA   ALA  38           HA       ALA  38  12.497   6.115  -0.798
  224    HB1  ALA  38          1HB       ALA  38  14.208   5.931   0.986
  225    HB2  ALA  38          2HB       ALA  38  14.890   6.253  -0.608
  226    HB3  ALA  38          3HB       ALA  38  14.762   7.554   0.575
  227    H    ASN  39           H        ASN  39  12.341   9.349   0.429
  228    HA   ASN  39           HA       ASN  39  11.255   8.725   2.986
  229    HB2  ASN  39          2HB       ASN  39  11.875  11.117   1.451
  230    HB3  ASN  39          3HB       ASN  39  10.361  11.281   2.336
  231   HD21  ASN  39          1HD2      ASN  39  13.040  12.517   2.684
  232   HD22  ASN  39          2HD2      ASN  39  13.462  12.212   4.332
  233    H    VAL  40           H        VAL  40   9.898   9.288  -0.194
  234    HA   VAL  40           HA       VAL  40   7.181   9.450   0.727
  235    HB   VAL  40           HB       VAL  40   8.209   8.964  -2.072
  236   HG11  VAL  40          1HG1      VAL  40   5.993   8.395  -2.229
  237   HG12  VAL  40          2HG1      VAL  40   5.510   9.473  -0.918
  238   HG13  VAL  40          3HG1      VAL  40   5.896  10.134  -2.507
  239   HG21  VAL  40          1HG2      VAL  40   8.073  11.365  -0.407
  240   HG22  VAL  40          2HG2      VAL  40   9.006  11.051  -1.870
  241   HG23  VAL  40          3HG2      VAL  40   7.317  11.545  -1.990
  242    H    ALA  41           H        ALA  41   9.337   6.938  -0.367
  243    HA   ALA  41           HA       ALA  41   7.224   4.984  -0.677
  244    HB1  ALA  41          1HB       ALA  41   9.924   3.918  -0.534
  245    HB2  ALA  41          2HB       ALA  41   8.730   3.810  -1.828
  246    HB3  ALA  41          3HB       ALA  41   9.770   5.229  -1.704
  247    H    LYS  42           H        KSS  42  10.002   5.437   1.509
  248    HB2  LYS  42          2HB       KSS  42  10.949   4.405   4.786
  249    HB3  LYS  42          3HB       KSS  42  11.528   4.920   3.208
  250    HG2  LYS  42          2HG       KSS  42  10.233   6.998   3.433
  251    HG3  LYS  42          3HG       KSS  42   9.723   6.484   5.043
  252    HD2  LYS  42          2HD       KSS  42  12.599   6.843   4.207
  253    HD3  LYS  42          3HD       KSS  42  11.645   8.075   5.037
  254    HE2  LYS  42          2HE       KSS  42  11.222   5.972   6.665
  255    HE3  LYS  42          3HE       KSS  42  12.829   5.572   6.062
  256    HZ1  LYS  42          1HZ       KSS  42  13.086   8.178   6.656
  257    HZ2  LYS  42          2HZ       KSS  42  13.509   6.915   7.698
  258    HZ3  LYS  42          3HZ       KSS  42  12.007   7.677   7.859
  259    H    THR  43           H        THR  43   7.898   6.332   3.061
  260    HA   THR  43           HA       THR  43   6.478   5.834   5.539
  261    HB   THR  43           HB       THR  43   5.246   7.927   4.980
  262    HG1  THR  43           HG1      THR  43   5.389   7.860   2.716
  263   HG21  THR  43          1HG2      THR  43   8.260   7.986   4.960
  264   HG22  THR  43          2HG2      THR  43   7.182   8.165   6.344
  265   HG23  THR  43          3HG2      THR  43   7.266   9.433   5.122
  266    H    ALA  44           H        ALA  44   5.809   5.828   2.067
  267    HA   ALA  44           HA       ALA  44   3.034   5.153   2.420
  268    HB1  ALA  44          1HB       ALA  44   4.756   5.139  -0.056
  269    HB2  ALA  44          2HB       ALA  44   3.003   4.941  -0.025
  270    HB3  ALA  44          3HB       ALA  44   3.728   6.462   0.496
  Start of MODEL   11
    1    H1   TRP   1           H        TRP   1   0.666   1.039  -0.283
    2    HA   TRP   1           HA       TRP   1   2.912  -0.577  -1.241
    3    HB2  TRP   1          2HB       TRP   1   0.512   0.539  -2.449
    4    HB3  TRP   1          3HB       TRP   1   1.955   0.915  -3.387
    5    HD1  TRP   1           HD1      TRP   1   1.431  -2.397  -1.488
    6    HE1  TRP   1           HE1      TRP   1   1.414  -4.315  -3.205
    7    HE3  TRP   1           HE3      TRP   1   1.602   0.361  -5.789
    8    HZ2  TRP   1           HZ2      TRP   1   1.467  -4.619  -6.010
    9    HZ3  TRP   1           HZ3      TRP   1   1.617  -0.820  -7.948
   10    HH2  TRP   1           HH2      TRP   1   1.551  -3.259  -8.054
   11    H    GLY   2           H        GLY   2   4.797   0.378  -0.708
   12    HA2  GLY   2          2HA       GLY   2   5.069   3.273  -1.183
   13    HA3  GLY   2          3HA       GLY   2   6.101   2.316  -0.130
   14    H    CYS   3           H        CYS   3   5.574   3.476  -3.318
   15    HA   CYS   3           HA       CYS   3   8.213   2.542  -4.097
   16    HB2  CYS   3          2HB       CYS   3   5.905   1.168  -4.950
   17    HB3  CYS   3          3HB       CYS   3   6.444   2.118  -6.331
   18    H    VAL   4           H        VAL   4   9.204   4.333  -4.728
   19    HA   VAL   4           HA       VAL   4   7.698   6.272  -6.361
   20    HB   VAL   4           HB       VAL   4   8.187   7.166  -4.113
   21   HG11  VAL   4          1HG1      VAL   4  10.565   7.713  -3.572
   22   HG12  VAL   4          2HG1      VAL   4  10.188   5.989  -3.546
   23   HG13  VAL   4          3HG1      VAL   4  11.050   6.684  -4.919
   24   HG21  VAL   4          1HG2      VAL   4   8.325   8.468  -6.417
   25   HG22  VAL   4          2HG2      VAL   4   8.670   9.261  -4.880
   26   HG23  VAL   4          3HG2      VAL   4   9.995   8.702  -5.900
   27    H    CYS   5           H        CYS   5   8.800   7.289  -8.052
   28    HA   CYS   5           HA       CYS   5  11.489   6.290  -8.671
   29    HB2  CYS   5          2HB       CYS   5   9.278   6.429 -10.726
   30    HB3  CYS   5          3HB       CYS   5  10.899   5.777 -10.943
   31    H    SER   6           H        SER   6  12.762   7.664  -9.936
   32    HA   SER   6           HA       SER   6  11.965  10.452  -9.810
   33    HB2  SER   6          2HB       SER   6  14.254   9.629  -9.117
   34    HB3  SER   6          3HB       SER   6  14.582   9.325 -10.822
   35    HG   SER   6           HG       SER   6  15.103  11.502  -9.705
   36    H    GLY   7           H        GLY   7  10.247   9.923 -11.480
   37    HA2  GLY   7          2HA       GLY   7  10.905  11.110 -13.924
   38    HA3  GLY   7          3HA       GLY   7  10.939   9.368 -14.160
   39    H    SER   8           H        SER   8   9.022   8.184 -14.046
   40    HA   SER   8           HA       SER   8   6.552   9.782 -13.904
   41    HB2  SER   8          2HB       SER   8   7.302   7.694 -15.957
   42    HB3  SER   8          3HB       SER   8   5.649   8.262 -15.719
   43    HG   SER   8           HG       SER   8   7.533   9.373 -17.183
   44    H    THR   9           H        THR   9   4.595   8.145 -13.891
   45    HA   THR   9           HA       THR   9   4.935   6.567 -11.511
   46    HB   THR   9           HB       THR   9   2.400   6.177 -12.892
   47    HG1  THR   9           HG1      THR   9   1.849   8.500 -12.418
   48   HG21  THR   9          1HG2      THR   9   2.588   7.725 -10.379
   49   HG22  THR   9          2HG2      THR   9   3.246   6.089 -10.340
   50   HG23  THR   9          3HG2      THR   9   1.562   6.351 -10.791
   51    H    ALA  10           H        ALA  10   4.334   5.931 -14.934
   52    HA   ALA  10           HA       ALA  10   3.783   3.225 -14.861
   53    HB1  ALA  10          1HB       ALA  10   5.358   4.750 -16.930
   54    HB2  ALA  10          2HB       ALA  10   4.684   3.135 -17.154
   55    HB3  ALA  10          3HB       ALA  10   3.611   4.511 -16.900
   56    H    VAL  11           H        VAL  11   6.893   4.865 -14.666
   57    HA   VAL  11           HA       VAL  11   8.380   2.384 -14.710
   58    HB   VAL  11           HB       VAL  11   9.395   4.351 -15.712
   59   HG11  VAL  11          1HG1      VAL  11   8.383   6.100 -14.412
   60   HG12  VAL  11          2HG1      VAL  11   9.197   5.542 -12.949
   61   HG13  VAL  11          3HG1      VAL  11  10.136   6.234 -14.272
   62   HG21  VAL  11          1HG2      VAL  11  11.412   3.612 -15.126
   63   HG22  VAL  11          2HG2      VAL  11  11.232   4.229 -13.484
   64   HG23  VAL  11          3HG2      VAL  11  10.616   2.629 -13.897
   65    H    ALA  12           H        ALS  12   7.121   4.620 -12.351
   66    HB1  ALA  12          1HB       ALS  12   7.239   5.876 -10.206
   67    HB2  ALA  12          2HB       ALS  12   5.818   4.833 -10.135
   68    HB3  ALA  12          3HB       ALS  12   6.944   4.883  -8.778
   69    H    ASN  13           H        ASN  13   5.534   2.660 -11.263
   70    HA   ASN  13           HA       ASN  13   5.373   0.678  -9.199
   71    HB2  ASN  13          2HB       ASN  13   3.308   0.078 -10.128
   72    HB3  ASN  13          3HB       ASN  13   3.433   1.796 -10.493
   73   HD21  ASN  13          1HD2      ASN  13   3.941   2.437 -12.621
   74   HD22  ASN  13          2HD2      ASN  13   3.653   1.385 -13.960
   75    H    SER  14           H        SER  14   6.686   0.839 -12.401
   76    HA   SER  14           HA       SER  14   6.700  -1.805 -13.194
   77    HB2  SER  14          2HB       SER  14   7.622   0.344 -14.366
   78    HB3  SER  14          3HB       SER  14   9.145  -0.112 -13.603
   79    HG   SER  14           HG       SER  14   9.201  -1.946 -14.777
   80    H    HIS  15           H        HIS  15   8.723  -0.191 -10.829
   81    HA   HIS  15           HA       HIS  15  10.289  -2.630 -10.422
   82    HB2  HIS  15          2HB       HIS  15  10.940   0.090 -10.319
   83    HB3  HIS  15          3HB       HIS  15  10.954  -0.444  -8.640
   84    HD1  HIS  15           HD1      HIS  15  13.029  -0.314 -11.581
   85    HD2  HIS  15           HD2      HIS  15  12.690  -2.833  -8.294
   86    HE1  HIS  15           HE1      HIS  15  15.190  -1.598 -11.491
   87    H    ASN  16           H        NSS  16   8.673  -0.220  -8.341
   88    HB2  ASN  16          2HB       NSS  16   6.295  -1.953  -8.021
   89    HB3  ASN  16          3HB       NSS  16   6.755  -3.173  -6.837
   90   HD21  ASN  16          1HD2      NSS  16   5.190  -0.044  -7.219
   91   HD22  ASN  16          2HD2      NSS  16   4.152  -0.192  -5.845
   92    H    ALA  17           H        ALA  17   7.214  -2.446  -4.552
   93    HA   ALA  17           HA       ALA  17   9.539  -4.095  -4.192
   94    HB1  ALA  17          1HB       ALA  17  10.649  -2.246  -3.346
   95    HB2  ALA  17          2HB       ALA  17   9.194  -1.589  -2.594
   96    HB3  ALA  17          3HB       ALA  17   9.990  -2.998  -1.893
   97    H    GLY  18           H        GLY  18   7.106  -2.516  -2.102
   98    HA2  GLY  18          2HA       GLY  18   5.399  -4.684  -1.811
   99    HA3  GLY  18          3HA       GLY  18   6.635  -4.865  -0.575
  100    HA   PRO  19           HA       PRO  19   3.138  -2.025   0.841
  101    HB2  PRO  19          2HB       PRO  19   2.203  -3.622   2.826
  102    HB3  PRO  19          3HB       PRO  19   1.599  -3.699   1.167
  103    HG2  PRO  19          2HG       PRO  19   3.602  -5.453   2.536
  104    HG3  PRO  19          3HG       PRO  19   2.271  -5.906   1.456
  105    HD2  PRO  19          2HD       PRO  19   4.840  -5.746   0.615
  106    HD3  PRO  19          3HD       PRO  19   3.464  -5.374  -0.443
  107    H    ALA  20           H        ALA  20   5.407  -4.090   2.606
  108    HA   ALA  20           HA       ALA  20   5.724  -1.957   4.611
  109    HB1  ALA  20          1HB       ALA  20   5.022  -4.076   5.564
  110    HB2  ALA  20          2HB       ALA  20   6.398  -4.889   4.817
  111    HB3  ALA  20          3HB       ALA  20   6.664  -3.686   6.079
  112    H    TYR  21           H        TYR  21   6.981  -2.197   1.895
  113    HA   TYR  21           HA       TYR  21   9.796  -2.155   2.769
  114    HB2  TYR  21          2HB       TYR  21   8.594  -3.084   0.163
  115    HB3  TYR  21          3HB       TYR  21  10.305  -2.704   0.330
  116    HD1  TYR  21           HD1      TYR  21   7.644  -4.812   1.883
  117    HD2  TYR  21           HD2      TYR  21  11.776  -4.380   0.968
  118    HE1  TYR  21           HE1      TYR  21   8.060  -7.088   2.716
  119    HE2  TYR  21           HE2      TYR  21  12.204  -6.656   1.796
  120    HH   TYR  21           HH       TYR  21   9.664  -8.855   2.522
  121    H    CYS  22           H        CYS  22  11.193  -0.666   1.610
  122    HA   CYS  22           HA       CYS  22   9.780   1.577   0.343
  123    HB2  CYS  22          2HB       CYS  22  11.889   1.823   2.500
  124    HB3  CYS  22          3HB       CYS  22  11.193   3.167   1.600
  125    H    VAL  23           H        VAL  23  10.768   2.408  -1.410
  126    HA   VAL  23           HA       VAL  23  13.601   1.888  -1.872
  127    HB   VAL  23           HB       VAL  23  11.470   1.048  -3.842
  128   HG11  VAL  23          1HG1      VAL  23  14.466   1.185  -4.039
  129   HG12  VAL  23          2HG1      VAL  23  13.494   0.151  -5.089
  130   HG13  VAL  23          3HG1      VAL  23  13.262   1.899  -5.111
  131   HG21  VAL  23          1HG2      VAL  23  11.661  -0.566  -2.072
  132   HG22  VAL  23          2HG2      VAL  23  12.448  -1.213  -3.511
  133   HG23  VAL  23          3HG2      VAL  23  13.421  -0.556  -2.195
  134    H    GLY  24           H        GLY  24  14.483   3.756  -2.446
  135    HA2  GLY  24          2HA       GLY  24  12.793   5.740  -3.825
  136    HA3  GLY  24          3HA       GLY  24  14.193   6.123  -2.834
  137    H    TYR  25           H        TYR  25  13.053   5.430  -5.972
  138    HA   TYR  25           HA       TYR  25  15.717   4.957  -7.052
  139    HB2  TYR  25          2HB       TYR  25  13.505   3.806  -7.809
  140    HB3  TYR  25          3HB       TYR  25  13.246   5.287  -8.724
  141    HD1  TYR  25           HD1      TYR  25  15.832   2.652  -8.166
  142    HD2  TYR  25           HD2      TYR  25  14.106   5.447 -10.870
  143    HE1  TYR  25           HE1      TYR  25  17.257   1.778  -9.970
  144    HE2  TYR  25           HE2      TYR  25  15.526   4.580 -12.682
  145    HH   TYR  25           HH       TYR  25  16.857   1.870 -12.840
  146    H    CYS  26           H        CYS  26  16.964   6.678  -7.351
  147    HA   CYS  26           HA       CYS  26  16.165   8.800  -9.072
  148    HB2  CYS  26          2HB       CYS  26  16.578  10.621  -7.342
  149    HB3  CYS  26          3HB       CYS  26  15.053   9.751  -7.206
  150    H    GLY  27           H        GLY  27  17.938   9.136 -10.228
  151    HA2  GLY  27          2HA       GLY  27  20.470   9.649  -8.917
  152    HA3  GLY  27          3HA       GLY  27  20.434   8.184  -9.885
  153    H    ASN  28           H        ASN  28  18.684  11.131 -10.660
  154    HA   ASN  28           HA       ASN  28  20.616  11.736 -12.780
  155    HB2  ASN  28          2HB       ASN  28  17.677  11.184 -13.145
  156    HB3  ASN  28          3HB       ASN  28  18.582  12.158 -14.299
  157   HD21  ASN  28          1HD2      ASN  28  17.716   9.051 -13.348
  158   HD22  ASN  28          2HD2      ASN  28  18.764   8.165 -14.398
  159    H    ASN  29           H        ASN  29  19.926  12.979 -10.208
  160    HA   ASN  29           HA       ASN  29  19.506  15.674 -11.213
  161    HB2  ASN  29          2HB       ASN  29  17.764  14.466  -9.053
  162    HB3  ASN  29          3HB       ASN  29  17.803  16.176  -9.474
  163   HD21  ASN  29          1HD2      ASN  29  16.502  13.130 -10.182
  164   HD22  ASN  29          2HD2      ASN  29  15.588  13.578 -11.578
  165    H    GLY  30           H        GLY  30  19.556  14.023  -8.045
  166    HA2  GLY  30          2HA       GLY  30  22.165  14.949  -7.388
  167    HA3  GLY  30          3HA       GLY  30  20.941  15.969  -6.646
  168    H    VAL  31           H        VAL  31  22.492  14.836  -4.889
  169    HA   VAL  31           HA       VAL  31  21.753  12.199  -4.102
  170    HB   VAL  31           HB       VAL  31  23.065  14.373  -2.463
  171   HG11  VAL  31          1HG1      VAL  31  22.744  11.414  -2.019
  172   HG12  VAL  31          2HG1      VAL  31  23.935  12.396  -1.163
  173   HG13  VAL  31          3HG1      VAL  31  22.214  12.734  -0.977
  174   HG21  VAL  31          1HG2      VAL  31  24.074  12.472  -4.492
  175   HG22  VAL  31          2HG2      VAL  31  24.658  14.077  -4.051
  176   HG23  VAL  31          3HG2      VAL  31  25.058  12.686  -3.044
  177    H    VAL  32           H        VAL  32  20.701  15.436  -3.187
  178    HA   VAL  32           HA       VAL  32  19.198  14.853  -0.930
  179    HB   VAL  32           HB       VAL  32  18.520  16.885  -3.061
  180   HG11  VAL  32          1HG1      VAL  32  17.368  18.070  -1.260
  181   HG12  VAL  32          2HG1      VAL  32  16.677  16.466  -1.514
  182   HG13  VAL  32          3HG1      VAL  32  17.752  16.759  -0.146
  183   HG21  VAL  32          1HG2      VAL  32  20.437  17.861  -2.478
  184   HG22  VAL  32          2HG2      VAL  32  19.704  18.173  -0.905
  185   HG23  VAL  32          3HG2      VAL  32  20.689  16.731  -1.148
  186    H    THR  33           H        THR  33  18.105  14.943  -4.320
  187    HA   THR  33           HA       THR  33  15.455  14.208  -3.887
  188    HB   THR  33           HB       THR  33  16.802  13.145  -6.320
  189    HG1  THR  33           HG1      THR  33  17.692  15.002  -6.768
  190   HG21  THR  33          1HG2      THR  33  14.190  13.694  -5.534
  191   HG22  THR  33          2HG2      THR  33  14.740  13.308  -7.165
  192   HG23  THR  33          3HG2      THR  33  14.595  14.991  -6.659
  193    H    ARG  34           H        RSS  34  18.257  12.137  -4.621
  194    HB2  ARG  34          2HB       RSS  34  19.306   9.842  -5.299
  195    HB3  ARG  34          3HB       RSS  34  19.739  10.431  -3.700
  196    HG2  ARG  34          2HG       RSS  34  18.439   7.794  -3.766
  197    HG3  ARG  34          3HG       RSS  34  20.039   7.881  -4.505
  198    HD2  ARG  34          2HD       RSS  34  20.631   9.183  -2.302
  199    HD3  ARG  34          3HD       RSS  34  19.223   8.328  -1.673
  200    HE   ARG  34           HE       RSS  34  21.792   7.231  -2.164
  201   HH11  ARG  34          1HH2      RSS  34  22.111   4.990  -1.880
  202   HH12  ARG  34          2HH2      RSS  34  20.742   3.931  -1.853
  203   HH21  ARG  34          1HH1      RSS  34  18.395   6.482  -2.319
  204   HH22  ARG  34          2HH1      RSS  34  18.628   4.779  -2.103
  205    H    ASN  35           H        ASN  35  17.775  11.663  -1.944
  206    HA   ASN  35           HA       ASN  35  17.238   9.567  -0.029
  207    HB2  ASN  35          2HB       ASN  35  17.791  12.523   0.255
  208    HB3  ASN  35          3HB       ASN  35  17.442  11.477   1.629
  209   HD21  ASN  35          1HD2      ASN  35  19.866  12.947   0.193
  210   HD22  ASN  35          2HD2      ASN  35  21.147  11.815   0.444
  211    H    ALA  36           H        ALA  36  15.683  12.637  -0.952
  212    HA   ALA  36           HA       ALA  36  13.461  12.518   0.682
  213    HB1  ALA  36          1HB       ALA  36  13.170  13.502  -2.122
  214    HB2  ALA  36          2HB       ALA  36  12.543  14.183  -0.621
  215    HB3  ALA  36          3HB       ALA  36  14.256  14.333  -1.009
  216    H    ASN  37           H        ASN  37  14.109  10.796  -2.298
  217    HA   ASN  37           HA       ASN  37  11.520   9.929  -2.905
  218    HB2  ASN  37          2HB       ASN  37  14.258   8.837  -3.477
  219    HB3  ASN  37          3HB       ASN  37  12.826   7.922  -3.938
  220   HD21  ASN  37          1HD2      ASN  37  12.867   8.109  -6.091
  221   HD22  ASN  37          2HD2      ASN  37  12.817   9.606  -6.953
  222    H    ALA  38           H        ALA  38  14.074   8.237  -1.080
  223    HA   ALA  38           HA       ALA  38  12.606   5.985  -0.370
  224    HB1  ALA  38          1HB       ALA  38  14.936   5.937  -0.013
  225    HB2  ALA  38          2HB       ALA  38  14.889   7.380   1.002
  226    HB3  ALA  38          3HB       ALA  38  14.206   5.864   1.591
  227    H    ASN  39           H        ASN  39  12.457   9.220   0.855
  228    HA   ASN  39           HA       ASN  39  11.220   8.613   3.349
  229    HB2  ASN  39          2HB       ASN  39  12.344  10.854   2.286
  230    HB3  ASN  39          3HB       ASN  39  10.632  11.237   2.133
  231   HD21  ASN  39          1HD2      ASN  39  12.012  12.826   3.713
  232   HD22  ASN  39          2HD2      ASN  39  11.694  12.511   5.382
  233    H    VAL  40           H        VAL  40  10.052   9.262   0.105
  234    HA   VAL  40           HA       VAL  40   7.294   9.469   0.883
  235    HB   VAL  40           HB       VAL  40   8.464   9.016  -1.866
  236   HG11  VAL  40          1HG1      VAL  40   5.743  10.023  -1.039
  237   HG12  VAL  40          2HG1      VAL  40   6.331   9.841  -2.693
  238   HG13  VAL  40          3HG1      VAL  40   6.091   8.417  -1.679
  239   HG21  VAL  40          1HG2      VAL  40   9.208  11.107  -1.726
  240   HG22  VAL  40          2HG2      VAL  40   7.528  11.637  -1.636
  241   HG23  VAL  40          3HG2      VAL  40   8.439  11.336  -0.156
  242    H    ALA  41           H        ALA  41   9.449   6.926  -0.133
  243    HA   ALA  41           HA       ALA  41   7.314   5.030  -0.606
  244    HB1  ALA  41          1HB       ALA  41   8.886   3.674  -1.517
  245    HB2  ALA  41          2HB       ALA  41   9.766   5.198  -1.645
  246    HB3  ALA  41          3HB       ALA  41  10.106   4.093  -0.313
  247    H    LYS  42           H        KSS  42   9.970   5.364   1.747
  248    HB2  LYS  42          2HB       KSS  42  10.694   4.241   5.052
  249    HB3  LYS  42          3HB       KSS  42  11.379   4.763   3.518
  250    HG2  LYS  42          2HG       KSS  42  10.102   6.874   3.718
  251    HG3  LYS  42          3HG       KSS  42   9.555   6.350   5.313
  252    HD2  LYS  42          2HD       KSS  42  12.438   6.718   4.497
  253    HD3  LYS  42          3HD       KSS  42  11.488   7.881   5.425
  254    HE2  LYS  42          2HE       KSS  42  11.081   5.747   6.950
  255    HE3  LYS  42          3HE       KSS  42  12.617   5.255   6.237
  256    HZ1  LYS  42          1HZ       KSS  42  13.346   7.624   6.926
  257    HZ2  LYS  42          2HZ       KSS  42  13.285   6.403   8.095
  258    HZ3  LYS  42          3HZ       KSS  42  12.037   7.541   7.995
  259    H    THR  43           H        THR  43   7.820   6.310   3.201
  260    HA   THR  43           HA       THR  43   6.276   5.885   5.601
  261    HB   THR  43           HB       THR  43   5.045   7.948   4.855
  262    HG1  THR  43           HG1      THR  43   5.306   7.996   2.674
  263   HG21  THR  43          1HG2      THR  43   6.975   9.471   5.209
  264   HG22  THR  43          2HG2      THR  43   8.056   8.088   5.041
  265   HG23  THR  43          3HG2      THR  43   6.908   8.154   6.378
  266    H    ALA  44           H        ALA  44   5.829   5.529   2.138
  267    HA   ALA  44           HA       ALA  44   3.003   4.986   2.363
  268    HB1  ALA  44          1HB       ALA  44   3.534   4.203  -0.125
  269    HB2  ALA  44          2HB       ALA  44   3.359   5.902   0.316
  270    HB3  ALA  44          3HB       ALA  44   4.966   5.194   0.154
  Start of MODEL   12
    1    H1   TRP   1           H        TRP   1   0.612   0.849  -0.846
    2    HA   TRP   1           HA       TRP   1   2.584  -1.208  -1.157
    3    HB2  TRP   1          2HB       TRP   1   2.858  -0.853  -3.628
    4    HB3  TRP   1          3HB       TRP   1   1.381  -1.700  -3.174
    5    HD1  TRP   1           HD1      TRP   1  -0.916  -0.118  -3.170
    6    HE1  TRP   1           HE1      TRP   1  -1.553   1.790  -4.776
    7    HE3  TRP   1           HE3      TRP   1   3.721   0.958  -5.035
    8    HZ2  TRP   1           HZ2      TRP   1  -0.262   3.521  -6.593
    9    HZ3  TRP   1           HZ3      TRP   1   3.934   2.754  -6.703
   10    HH2  TRP   1           HH2      TRP   1   1.982   4.007  -7.465
   11    H    GLY   2           H        GLY   2   4.571  -0.352  -0.972
   12    HA2  GLY   2          2HA       GLY   2   4.776   2.585  -1.103
   13    HA3  GLY   2          3HA       GLY   2   5.799   1.544  -0.125
   14    H    CYS   3           H        CYS   3   5.187   2.797  -3.321
   15    HA   CYS   3           HA       CYS   3   7.938   2.151  -4.057
   16    HB2  CYS   3          2HB       CYS   3   5.770   0.662  -5.035
   17    HB3  CYS   3          3HB       CYS   3   6.212   1.754  -6.343
   18    H    VAL   4           H        VAL   4   8.828   4.027  -4.577
   19    HA   VAL   4           HA       VAL   4   7.196   6.009  -6.027
   20    HB   VAL   4           HB       VAL   4   7.843   6.726  -3.739
   21   HG11  VAL   4          1HG1      VAL   4  10.573   7.385  -4.240
   22   HG12  VAL   4          2HG1      VAL   4   9.891   6.386  -2.955
   23   HG13  VAL   4          3HG1      VAL   4  10.346   5.655  -4.495
   24   HG21  VAL   4          1HG2      VAL   4   7.489   8.313  -5.646
   25   HG22  VAL   4          2HG2      VAL   4   8.519   8.930  -4.354
   26   HG23  VAL   4          3HG2      VAL   4   9.240   8.352  -5.856
   27    H    CYS   5           H        CYS   5   8.181   7.196  -7.691
   28    HA   CYS   5           HA       CYS   5  10.835   6.304  -8.562
   29    HB2  CYS   5          2HB       CYS   5   8.441   6.477 -10.404
   30    HB3  CYS   5          3HB       CYS   5  10.077   6.002 -10.852
   31    H    SER   6           H        SER   6  12.013   7.811  -9.731
   32    HA   SER   6           HA       SER   6  11.048  10.553  -9.482
   33    HB2  SER   6          2HB       SER   6  13.742   9.292  -9.863
   34    HB3  SER   6          3HB       SER   6  13.507  10.987 -10.290
   35    HG   SER   6           HG       SER   6  14.102  11.002  -8.184
   36    H    GLY   7           H        GLY   7   9.560   9.503 -11.365
   37    HA2  GLY   7          2HA       GLY   7  10.284  10.973 -13.711
   38    HA3  GLY   7          3HA       GLY   7  10.417   9.239 -13.961
   39    H    SER   8           H        SER   8   8.570   7.980 -14.068
   40    HA   SER   8           HA       SER   8   6.019   9.454 -14.057
   41    HB2  SER   8          2HB       SER   8   7.064   7.474 -16.076
   42    HB3  SER   8          3HB       SER   8   5.343   7.822 -15.920
   43    HG   SER   8           HG       SER   8   6.238  10.146 -16.072
   44    H    THR   9           H        THR   9   4.138   7.747 -14.167
   45    HA   THR   9           HA       THR   9   4.364   6.187 -11.771
   46    HB   THR   9           HB       THR   9   1.973   5.487 -13.100
   47    HG1  THR   9           HG1      THR   9   1.165   7.638 -13.527
   48   HG21  THR   9          1HG2      THR   9   2.460   5.949 -10.646
   49   HG22  THR   9          2HG2      THR   9   0.924   6.551 -11.268
   50   HG23  THR   9          3HG2      THR   9   2.277   7.658 -11.037
   51    H    ALA  10           H        ALA  10   4.102   5.492 -15.225
   52    HA   ALA  10           HA       ALA  10   3.706   2.759 -15.170
   53    HB1  ALA  10          1HB       ALA  10   3.935   2.947 -17.374
   54    HB2  ALA  10          2HB       ALA  10   4.296   4.654 -17.111
   55    HB3  ALA  10          3HB       ALA  10   5.609   3.482 -17.223
   56    H    VAL  11           H        VAL  11   6.713   4.570 -14.788
   57    HA   VAL  11           HA       VAL  11   8.319   2.174 -14.632
   58    HB   VAL  11           HB       VAL  11   9.292   4.194 -15.592
   59   HG11  VAL  11          1HG1      VAL  11   8.100   5.882 -14.343
   60   HG12  VAL  11          2HG1      VAL  11   8.889   5.379 -12.847
   61   HG13  VAL  11          3HG1      VAL  11   9.835   6.119 -14.139
   62   HG21  VAL  11          1HG2      VAL  11  11.273   3.476 -14.890
   63   HG22  VAL  11          2HG2      VAL  11  11.019   4.200 -13.302
   64   HG23  VAL  11          3HG2      VAL  11  10.455   2.560 -13.624
   65    H    ALA  12           H        ALS  12   6.783   4.410 -12.433
   66    HB1  ALA  12          1HB       ALS  12   5.248   4.513 -10.331
   67    HB2  ALA  12          2HB       ALS  12   6.261   4.708  -8.900
   68    HB3  ALA  12          3HB       ALS  12   6.568   5.683 -10.338
   69    H    ASN  13           H        ASN  13   5.244   2.315 -11.424
   70    HA   ASN  13           HA       ASN  13   5.162   0.332  -9.333
   71    HB2  ASN  13          2HB       ASN  13   3.149  -0.394 -10.283
   72    HB3  ASN  13          3HB       ASN  13   3.162   1.332 -10.634
   73   HD21  ASN  13          1HD2      ASN  13   3.820   1.998 -12.766
   74   HD22  ASN  13          2HD2      ASN  13   3.545   0.949 -14.110
   75    H    SER  14           H        SER  14   6.478   0.614 -12.527
   76    HA   SER  14           HA       SER  14   6.682  -2.025 -13.329
   77    HB2  SER  14          2HB       SER  14   7.340  -0.329 -14.865
   78    HB3  SER  14          3HB       SER  14   8.545   0.314 -13.750
   79    HG   SER  14           HG       SER  14   8.615  -2.197 -15.070
   80    H    HIS  15           H        HIS  15   8.697  -0.221 -11.070
   81    HA   HIS  15           HA       HIS  15  10.437  -2.521 -10.659
   82    HB2  HIS  15          2HB       HIS  15  10.830   0.233 -10.517
   83    HB3  HIS  15          3HB       HIS  15  10.850  -0.292  -8.836
   84    HD1  HIS  15           HD1      HIS  15  12.673  -0.785 -12.092
   85    HD2  HIS  15           HD2      HIS  15  13.104  -1.691  -8.060
   86    HE1  HIS  15           HE1      HIS  15  15.020  -1.652 -11.845
   87    H    ASN  16           H        NSS  16   8.623  -0.329  -8.501
   88    HB2  ASN  16          2HB       NSS  16   6.399  -2.264  -8.230
   89    HB3  ASN  16          3HB       NSS  16   6.967  -3.480  -7.090
   90   HD21  ASN  16          1HD2      NSS  16   5.093  -0.529  -7.405
   91   HD22  ASN  16          2HD2      NSS  16   4.102  -0.789  -6.014
   92    H    ALA  17           H        ALA  17   7.381  -2.795  -4.784
   93    HA   ALA  17           HA       ALA  17   9.757  -4.340  -4.490
   94    HB1  ALA  17          1HB       ALA  17   9.691  -2.641  -2.146
   95    HB2  ALA  17          2HB       ALA  17  11.048  -3.082  -3.184
   96    HB3  ALA  17          3HB       ALA  17  10.012  -1.723  -3.617
   97    H    GLY  18           H        GLY  18   7.434  -2.725  -2.303
   98    HA2  GLY  18          2HA       GLY  18   5.786  -4.912  -1.843
   99    HA3  GLY  18          3HA       GLY  18   7.090  -5.021  -0.671
  100    HA   PRO  19           HA       PRO  19   3.609  -2.141   0.759
  101    HB2  PRO  19          2HB       PRO  19   2.647  -3.712   2.754
  102    HB3  PRO  19          3HB       PRO  19   2.032  -3.778   1.098
  103    HG2  PRO  19          2HG       PRO  19   4.000  -5.575   2.461
  104    HG3  PRO  19          3HG       PRO  19   2.653  -6.000   1.389
  105    HD2  PRO  19          2HD       PRO  19   5.220  -5.903   0.534
  106    HD3  PRO  19          3HD       PRO  19   3.848  -5.500  -0.518
  107    H    ALA  20           H        ALA  20   5.904  -4.216   2.455
  108    HA   ALA  20           HA       ALA  20   6.243  -2.116   4.493
  109    HB1  ALA  20          1HB       ALA  20   7.260  -3.894   5.891
  110    HB2  ALA  20          2HB       ALA  20   5.573  -4.204   5.478
  111    HB3  ALA  20          3HB       ALA  20   6.860  -5.063   4.632
  112    H    TYR  21           H        TYR  21   7.455  -2.320   1.753
  113    HA   TYR  21           HA       TYR  21  10.283  -2.279   2.582
  114    HB2  TYR  21          2HB       TYR  21   9.016  -3.255   0.033
  115    HB3  TYR  21          3HB       TYR  21  10.708  -2.774   0.085
  116    HD1  TYR  21           HD1      TYR  21  12.209  -4.500   0.311
  117    HD2  TYR  21           HD2      TYR  21   8.389  -4.867   2.150
  118    HE1  TYR  21           HE1      TYR  21  12.824  -6.737   1.129
  119    HE2  TYR  21           HE2      TYR  21   8.994  -7.104   2.973
  120    HH   TYR  21           HH       TYR  21  12.043  -8.238   3.147
  121    H    CYS  22           H        CYS  22  11.430  -0.484   2.157
  122    HA   CYS  22           HA       CYS  22  10.041   1.696   0.757
  123    HB2  CYS  22          2HB       CYS  22  12.297   1.779   2.770
  124    HB3  CYS  22          3HB       CYS  22  11.620   3.192   1.968
  125    H    VAL  23           H        VAL  23  10.671   2.046  -1.258
  126    HA   VAL  23           HA       VAL  23  13.530   1.802  -1.907
  127    HB   VAL  23           HB       VAL  23  11.270   0.875  -3.684
  128   HG11  VAL  23          1HG1      VAL  23  12.697   1.002  -5.378
  129   HG12  VAL  23          2HG1      VAL  23  13.901   1.718  -4.305
  130   HG13  VAL  23          3HG1      VAL  23  13.835  -0.032  -4.516
  131   HG21  VAL  23          1HG2      VAL  23  13.336  -0.675  -2.129
  132   HG22  VAL  23          2HG2      VAL  23  11.588  -0.694  -1.889
  133   HG23  VAL  23          3HG2      VAL  23  12.284  -1.371  -3.361
  134    H    GLY  24           H        GLY  24  14.282   3.695  -2.576
  135    HA2  GLY  24          2HA       GLY  24  12.412   5.547  -3.915
  136    HA3  GLY  24          3HA       GLY  24  13.787   6.055  -2.945
  137    H    TYR  25           H        TYR  25  12.674   5.539  -6.048
  138    HA   TYR  25           HA       TYR  25  15.175   4.821  -7.273
  139    HB2  TYR  25          2HB       TYR  25  12.696   4.466  -8.113
  140    HB3  TYR  25          3HB       TYR  25  12.937   6.059  -8.822
  141    HD1  TYR  25           HD1      TYR  25  13.451   5.972 -11.061
  142    HD2  TYR  25           HD2      TYR  25  15.003   2.952  -8.498
  143    HE1  TYR  25           HE1      TYR  25  14.605   4.949 -12.977
  144    HE2  TYR  25           HE2      TYR  25  16.163   1.920 -10.406
  145    HH   TYR  25           HH       TYR  25  16.390   3.483 -13.482
  146    H    CYS  26           H        CYS  26  16.812   6.192  -7.419
  147    HA   CYS  26           HA       CYS  26  16.227   9.025  -7.985
  148    HB2  CYS  26          2HB       CYS  26  18.414   7.874  -6.241
  149    HB3  CYS  26          3HB       CYS  26  18.321   9.565  -6.726
  150    H    GLY  27           H        GLY  27  16.866   9.551  -9.963
  151    HA2  GLY  27          2HA       GLY  27  18.705   7.929 -11.450
  152    HA3  GLY  27          3HA       GLY  27  17.956   9.424 -11.994
  153    H    ASN  28           H        ASN  28  19.418  10.894 -12.516
  154    HA   ASN  28           HA       ASN  28  21.849  11.095 -10.862
  155    HB2  ASN  28          2HB       ASN  28  22.845  12.102 -13.037
  156    HB3  ASN  28          3HB       ASN  28  22.666  10.354 -12.921
  157   HD21  ASN  28          1HD2      ASN  28  21.393   9.312 -14.338
  158   HD22  ASN  28          2HD2      ASN  28  20.490  10.084 -15.593
  159    H    ASN  29           H        ASN  29  19.877  12.498  -9.879
  160    HA   ASN  29           HA       ASN  29  20.093  15.220 -10.970
  161    HB2  ASN  29          2HB       ASN  29  18.063  14.091  -9.030
  162    HB3  ASN  29          3HB       ASN  29  18.064  15.726  -9.682
  163   HD21  ASN  29          1HD2      ASN  29  17.561  12.356 -10.391
  164   HD22  ASN  29          2HD2      ASN  29  16.714  12.590 -11.878
  165    H    GLY  30           H        GLY  30  20.635  13.246  -8.137
  166    HA2  GLY  30          2HA       GLY  30  22.678  14.516  -6.986
  167    HA3  GLY  30          3HA       GLY  30  21.340  15.546  -6.499
  168    H    VAL  31           H        VAL  31  22.647  14.557  -4.469
  169    HA   VAL  31           HA       VAL  31  21.768  11.962  -3.637
  170    HB   VAL  31           HB       VAL  31  22.951  14.167  -1.945
  171   HG11  VAL  31          1HG1      VAL  31  23.764  11.884  -0.799
  172   HG12  VAL  31          2HG1      VAL  31  22.275  12.714  -0.345
  173   HG13  VAL  31          3HG1      VAL  31  22.219  11.346  -1.457
  174   HG21  VAL  31          1HG2      VAL  31  24.776  13.870  -3.203
  175   HG22  VAL  31          2HG2      VAL  31  24.932  12.316  -2.384
  176   HG23  VAL  31          3HG2      VAL  31  24.132  12.409  -3.952
  177    H    VAL  32           H        VAL  32  20.724  15.272  -3.073
  178    HA   VAL  32           HA       VAL  32  19.004  14.917  -0.930
  179    HB   VAL  32           HB       VAL  32  18.526  16.746  -3.286
  180   HG11  VAL  32          1HG1      VAL  32  16.571  16.727  -1.987
  181   HG12  VAL  32          2HG1      VAL  32  17.475  16.680  -0.473
  182   HG13  VAL  32          3HG1      VAL  32  17.459  18.151  -1.446
  183   HG21  VAL  32          1HG2      VAL  32  19.626  18.373  -1.512
  184   HG22  VAL  32          2HG2      VAL  32  20.411  16.882  -0.992
  185   HG23  VAL  32          3HG2      VAL  32  20.605  17.448  -2.651
  186    H    THR  33           H        THR  33  18.188  14.771  -4.398
  187    HA   THR  33           HA       THR  33  15.512  14.089  -4.150
  188    HB   THR  33           HB       THR  33  16.976  12.753  -6.350
  189    HG1  THR  33           HG1      THR  33  18.037  14.476  -6.947
  190   HG21  THR  33          1HG2      THR  33  15.212  14.153  -7.620
  191   HG22  THR  33          2HG2      THR  33  14.527  14.454  -6.024
  192   HG23  THR  33          3HG2      THR  33  14.661  12.803  -6.629
  193    H    ARG  34           H        RSS  34  18.343  11.950  -4.333
  194    HB2  ARG  34          2HB       RSS  34  19.453   9.605  -4.646
  195    HB3  ARG  34          3HB       RSS  34  19.659  10.336  -3.060
  196    HG2  ARG  34          2HG       RSS  34  18.345   7.711  -3.056
  197    HG3  ARG  34          3HG       RSS  34  20.025   7.716  -3.598
  198    HD2  ARG  34          2HD       RSS  34  20.155   9.324  -1.407
  199    HD3  ARG  34          3HD       RSS  34  18.894   8.188  -0.931
  200    HE   ARG  34           HE       RSS  34  20.480   6.542  -0.774
  201   HH11  ARG  34          1HH2      RSS  34  22.600   5.701  -0.788
  202   HH12  ARG  34          2HH2      RSS  34  23.868   6.600  -1.550
  203   HH21  ARG  34          1HH1      RSS  34  21.802   9.250  -2.518
  204   HH22  ARG  34          2HH1      RSS  34  23.416   8.619  -2.533
  205    H    ASN  35           H        ASN  35  17.477  11.718  -1.723
  206    HA   ASN  35           HA       ASN  35  16.654   9.806   0.277
  207    HB2  ASN  35          2HB       ASN  35  17.148  12.785   0.375
  208    HB3  ASN  35          3HB       ASN  35  16.638  11.843   1.773
  209   HD21  ASN  35          1HD2      ASN  35  19.230  13.142   0.287
  210   HD22  ASN  35          2HD2      ASN  35  20.474  12.106   0.891
  211    H    ALA  36           H        ALA  36  15.240  12.626  -1.342
  212    HA   ALA  36           HA       ALA  36  12.819  12.750   0.009
  213    HB1  ALA  36          1HB       ALA  36  12.946  13.267  -2.933
  214    HB2  ALA  36          2HB       ALA  36  12.074  14.147  -1.677
  215    HB3  ALA  36          3HB       ALA  36  13.826  14.302  -1.808
  216    H    ASN  37           H        ASN  37  13.780  10.718  -2.714
  217    HA   ASN  37           HA       ASN  37  11.228   9.649  -3.269
  218    HB2  ASN  37          2HB       ASN  37  14.029   8.686  -3.821
  219    HB3  ASN  37          3HB       ASN  37  12.619   7.743  -4.295
  220   HD21  ASN  37          1HD2      ASN  37  11.644   8.210  -6.150
  221   HD22  ASN  37          2HD2      ASN  37  11.978   9.591  -7.133
  222    H    ALA  38           H        ALA  38  13.976   8.110  -1.587
  223    HA   ALA  38           HA       ALA  38  12.610   5.872  -0.664
  224    HB1  ALA  38          1HB       ALA  38  15.002   7.322   0.441
  225    HB2  ALA  38          2HB       ALA  38  14.403   5.807   1.117
  226    HB3  ALA  38          3HB       ALA  38  14.971   5.865  -0.552
  227    H    ASN  39           H        ASN  39  12.587   9.140   0.498
  228    HA   ASN  39           HA       ASN  39  11.615   8.607   3.115
  229    HB2  ASN  39          2HB       ASN  39  12.655  10.725   2.705
  230    HB3  ASN  39          3HB       ASN  39  11.542  11.084   1.388
  231   HD21  ASN  39          1HD2      ASN  39   9.918  12.369   1.853
  232   HD22  ASN  39          2HD2      ASN  39   9.268  12.660   3.427
  233    H    VAL  40           H        VAL  40  10.114   8.983  -0.011
  234    HA   VAL  40           HA       VAL  40   7.445   9.280   1.013
  235    HB   VAL  40           HB       VAL  40   8.341   8.549  -1.779
  236   HG11  VAL  40          1HG1      VAL  40   5.702   9.171  -0.554
  237   HG12  VAL  40          2HG1      VAL  40   6.021   9.724  -2.199
  238   HG13  VAL  40          3HG1      VAL  40   6.118   8.006  -1.810
  239   HG21  VAL  40          1HG2      VAL  40   9.088  10.642  -1.909
  240   HG22  VAL  40          2HG2      VAL  40   7.417  11.177  -1.738
  241   HG23  VAL  40          3HG2      VAL  40   8.447  11.036  -0.314
  242    H    ALA  41           H        ALA  41   9.470   6.638  -0.086
  243    HA   ALA  41           HA       ALA  41   7.309   4.721  -0.072
  244    HB1  ALA  41          1HB       ALA  41   8.827   3.181  -0.903
  245    HB2  ALA  41          2HB       ALA  41   9.440   4.706  -1.543
  246    HB3  ALA  41          3HB       ALA  41  10.204   3.970  -0.134
  247    H    LYS  42           H        KSS  42  10.257   5.241   1.863
  248    HB2  LYS  42          2HB       KSS  42  11.420   4.408   5.131
  249    HB3  LYS  42          3HB       KSS  42  11.902   4.755   3.476
  250    HG2  LYS  42          2HG       KSS  42  11.987   6.863   4.265
  251    HG3  LYS  42          3HG       KSS  42  10.263   6.827   3.888
  252    HD2  LYS  42          2HD       KSS  42   9.878   7.345   6.020
  253    HD3  LYS  42          3HD       KSS  42  10.463   5.735   6.446
  254    HE2  LYS  42          2HE       KSS  42  12.733   6.610   6.649
  255    HE3  LYS  42          3HE       KSS  42  12.164   8.215   6.194
  256    HZ1  LYS  42          1HZ       KSS  42  10.920   6.875   8.488
  257    HZ2  LYS  42          2HZ       KSS  42  11.148   8.526   8.201
  258    HZ3  LYS  42          3HZ       KSS  42  12.452   7.564   8.687
  259    H    THR  43           H        THR  43   8.279   6.292   3.457
  260    HA   THR  43           HA       THR  43   7.078   6.086   6.088
  261    HB   THR  43           HB       THR  43   6.581   8.069   3.859
  262    HG1  THR  43           HG1      THR  43   8.262   9.060   4.662
  263   HG21  THR  43          1HG2      THR  43   5.617   8.008   6.719
  264   HG22  THR  43          2HG2      THR  43   4.628   7.950   5.259
  265   HG23  THR  43          3HG2      THR  43   5.515   9.419   5.666
  266    H    ALA  44           H        ALA  44   6.148   5.657   2.715
  267    HA   ALA  44           HA       ALA  44   3.406   5.443   2.940
  268    HB1  ALA  44          1HB       ALA  44   4.336   3.429   1.137
  269    HB2  ALA  44          2HB       ALA  44   3.598   4.990   0.777
  270    HB3  ALA  44          3HB       ALA  44   5.345   4.867   0.982
  Start of MODEL   13
    1    H1   TRP   1           H        TRP   1   0.977   0.245   0.962
    2    HA   TRP   1           HA       TRP   1   2.918  -1.155  -0.752
    3    HB2  TRP   1          2HB       TRP   1   0.438   0.233  -1.319
    4    HB3  TRP   1          3HB       TRP   1   1.773   0.923  -2.239
    5    HD1  TRP   1           HD1      TRP   1   1.269  -2.823  -1.406
    6    HE1  TRP   1           HE1      TRP   1   1.127  -4.119  -3.625
    7    HE3  TRP   1           HE3      TRP   1   1.404   1.119  -4.659
    8    HZ2  TRP   1           HZ2      TRP   1   1.080  -3.547  -6.389
    9    HZ3  TRP   1           HZ3      TRP   1   1.307   0.658  -7.075
   10    HH2  TRP   1           HH2      TRP   1   1.148  -1.627  -7.919
   11    H    GLY   2           H        GLY   2   4.626   0.017  -1.698
   12    HA2  GLY   2          2HA       GLY   2   5.036   2.794  -1.038
   13    HA3  GLY   2          3HA       GLY   2   6.080   1.701  -0.142
   14    H    CYS   3           H        CYS   3   5.286   2.984  -3.293
   15    HA   CYS   3           HA       CYS   3   7.976   2.322  -4.201
   16    HB2  CYS   3          2HB       CYS   3   5.669   0.882  -5.062
   17    HB3  CYS   3          3HB       CYS   3   6.244   1.852  -6.415
   18    H    VAL   4           H        VAL   4   8.813   4.191  -4.825
   19    HA   VAL   4           HA       VAL   4   7.087   6.096  -6.270
   20    HB   VAL   4           HB       VAL   4   7.709   6.903  -4.008
   21   HG11  VAL   4          1HG1      VAL   4  10.258   5.911  -4.752
   22   HG12  VAL   4          2HG1      VAL   4  10.407   7.651  -4.495
   23   HG13  VAL   4          3HG1      VAL   4   9.762   6.621  -3.216
   24   HG21  VAL   4          1HG2      VAL   4   9.191   8.638  -5.923
   25   HG22  VAL   4          2HG2      VAL   4   7.477   8.332  -6.202
   26   HG23  VAL   4          3HG2      VAL   4   8.006   9.074  -4.692
   27    H    CYS   5           H        CYS   5   8.029   7.286  -7.961
   28    HA   CYS   5           HA       CYS   5  10.711   6.471  -8.819
   29    HB2  CYS   5          2HB       CYS   5   8.333   6.513 -10.685
   30    HB3  CYS   5          3HB       CYS   5   9.980   6.034 -11.080
   31    H    SER   6           H        SER   6  11.797   7.973 -10.112
   32    HA   SER   6           HA       SER   6  10.774  10.690  -9.870
   33    HB2  SER   6          2HB       SER   6  13.159  11.178 -10.830
   34    HB3  SER   6          3HB       SER   6  12.991  10.638  -9.160
   35    HG   SER   6           HG       SER   6  14.125   9.368 -11.322
   36    H    GLY   7           H        GLY   7   9.228   9.471 -11.651
   37    HA2  GLY   7          2HA       GLY   7   9.753  10.942 -14.064
   38    HA3  GLY   7          3HA       GLY   7   9.907   9.205 -14.282
   39    H    SER   8           H        SER   8   8.121   8.037 -14.652
   40    HA   SER   8           HA       SER   8   5.541   9.438 -14.446
   41    HB2  SER   8          2HB       SER   8   6.543   7.312 -16.331
   42    HB3  SER   8          3HB       SER   8   4.818   7.618 -16.126
   43    HG   SER   8           HG       SER   8   5.596   8.863 -17.825
   44    H    THR   9           H        THR   9   3.656   7.765 -14.301
   45    HA   THR   9           HA       THR   9   4.024   6.364 -11.816
   46    HB   THR   9           HB       THR   9   1.596   6.509 -13.614
   47    HG1  THR   9           HG1      THR   9   1.850   8.524 -12.837
   48   HG21  THR   9          1HG2      THR   9   0.396   5.872 -11.490
   49   HG22  THR   9          2HG2      THR   9   1.972   5.471 -10.809
   50   HG23  THR   9          3HG2      THR   9   1.370   4.594 -12.214
   51    H    ALA  10           H        ALA  10   3.862   5.532 -15.190
   52    HA   ALA  10           HA       ALA  10   3.272   2.781 -14.913
   53    HB1  ALA  10          1HB       ALA  10   4.849   3.090 -17.211
   54    HB2  ALA  10          2HB       ALA  10   3.089   3.044 -17.108
   55    HB3  ALA  10          3HB       ALA  10   3.936   4.589 -17.038
   56    H    VAL  11           H        VAL  11   6.259   4.619 -14.791
   57    HA   VAL  11           HA       VAL  11   7.922   2.253 -14.763
   58    HB   VAL  11           HB       VAL  11   8.784   4.287 -15.794
   59   HG11  VAL  11          1HG1      VAL  11   9.409   6.218 -14.360
   60   HG12  VAL  11          2HG1      VAL  11   7.666   5.970 -14.490
   61   HG13  VAL  11          3HG1      VAL  11   8.524   5.469 -13.032
   62   HG21  VAL  11          1HG2      VAL  11  10.120   2.667 -13.949
   63   HG22  VAL  11          2HG2      VAL  11  10.838   3.648 -15.227
   64   HG23  VAL  11          3HG2      VAL  11  10.653   4.313 -13.604
   65    H    ALA  12           H        ALS  12   6.476   4.436 -12.462
   66    HB1  ALA  12          1HB       ALS  12   6.217   4.738  -8.898
   67    HB2  ALA  12          2HB       ALS  12   6.432   5.727 -10.343
   68    HB3  ALA  12          3HB       ALS  12   5.118   4.554 -10.265
   69    H    ASN  13           H        ASN  13   5.044   2.352 -11.335
   70    HA   ASN  13           HA       ASN  13   5.101   0.382  -9.242
   71    HB2  ASN  13          2HB       ASN  13   3.072  -0.418 -10.131
   72    HB3  ASN  13          3HB       ASN  13   3.022   1.318 -10.426
   73   HD21  ASN  13          1HD2      ASN  13   3.610   2.061 -12.567
   74   HD22  ASN  13          2HD2      ASN  13   3.284   1.050 -13.930
   75    H    SER  14           H        SER  14   6.277   0.642 -12.492
   76    HA   SER  14           HA       SER  14   6.490  -2.010 -13.259
   77    HB2  SER  14          2HB       SER  14   7.021  -0.161 -14.768
   78    HB3  SER  14          3HB       SER  14   8.434   0.250 -13.796
   79    HG   SER  14           HG       SER  14   8.200  -1.577 -15.754
   80    H    HIS  15           H        HIS  15   8.375  -0.202 -10.951
   81    HA   HIS  15           HA       HIS  15  10.275  -2.409 -10.657
   82    HB2  HIS  15          2HB       HIS  15  10.599   0.338 -10.544
   83    HB3  HIS  15          3HB       HIS  15  10.619  -0.141  -8.849
   84    HD1  HIS  15           HD1      HIS  15  12.746  -1.127  -7.980
   85    HD2  HIS  15           HD2      HIS  15  12.640  -0.999 -12.131
   86    HE1  HIS  15           HE1      HIS  15  15.047  -1.806  -8.733
   87    H    ASN  16           H        NSS  16   8.444  -0.295  -8.437
   88    HB2  ASN  16          2HB       NSS  16   6.296  -2.306  -8.119
   89    HB3  ASN  16          3HB       NSS  16   6.936  -3.510  -7.004
   90   HD21  ASN  16          1HD2      NSS  16   5.091  -0.502  -7.123
   91   HD22  ASN  16          2HD2      NSS  16   4.095  -0.852  -5.755
   92    H    ALA  17           H        ALA  17   7.390  -2.826  -4.705
   93    HA   ALA  17           HA       ALA  17   9.790  -4.323  -4.484
   94    HB1  ALA  17          1HB       ALA  17   9.740  -1.657  -3.274
   95    HB2  ALA  17          2HB       ALA  17  10.216  -2.949  -2.172
   96    HB3  ALA  17          3HB       ALA  17  11.105  -2.699  -3.674
   97    H    GLY  18           H        GLY  18   7.222  -2.759  -2.576
   98    HA2  GLY  18          2HA       GLY  18   5.734  -4.900  -1.883
   99    HA3  GLY  18          3HA       GLY  18   7.079  -5.005  -0.756
  100    HA   PRO  19           HA       PRO  19   3.669  -2.154   0.838
  101    HB2  PRO  19          2HB       PRO  19   2.945  -3.670   2.970
  102    HB3  PRO  19          3HB       PRO  19   2.197  -3.834   1.377
  103    HG2  PRO  19          2HG       PRO  19   4.347  -5.491   2.640
  104    HG3  PRO  19          3HG       PRO  19   2.935  -6.015   1.705
  105    HD2  PRO  19          2HD       PRO  19   5.415  -5.856   0.630
  106    HD3  PRO  19          3HD       PRO  19   3.943  -5.555  -0.316
  107    H    ALA  20           H        ALA  20   5.983  -4.171   2.635
  108    HA   ALA  20           HA       ALA  20   6.476  -1.925   4.461
  109    HB1  ALA  20          1HB       ALA  20   7.508  -4.726   4.803
  110    HB2  ALA  20          2HB       ALA  20   7.323  -3.465   6.023
  111    HB3  ALA  20          3HB       ALA  20   5.897  -4.241   5.334
  112    H    TYR  21           H        TYR  21   7.510  -2.237   1.660
  113    HA   TYR  21           HA       TYR  21  10.389  -2.141   2.284
  114    HB2  TYR  21          2HB       TYR  21   8.983  -3.040  -0.232
  115    HB3  TYR  21          3HB       TYR  21  10.711  -2.711  -0.161
  116    HD1  TYR  21           HD1      TYR  21   8.112  -4.721   1.622
  117    HD2  TYR  21           HD2      TYR  21  12.140  -4.472   0.277
  118    HE1  TYR  21           HE1      TYR  21   8.510  -7.017   2.409
  119    HE2  TYR  21           HE2      TYR  21  12.549  -6.768   1.058
  120    HH   TYR  21           HH       TYR  21  11.724  -8.491   2.223
  121    H    CYS  22           H        CYS  22  11.543  -0.388   1.653
  122    HA   CYS  22           HA       CYS  22  10.044   1.769   0.318
  123    HB2  CYS  22          2HB       CYS  22  12.354   1.998   2.259
  124    HB3  CYS  22          3HB       CYS  22  11.510   3.346   1.503
  125    H    VAL  23           H        VAL  23  10.722   2.347  -1.631
  126    HA   VAL  23           HA       VAL  23  13.556   2.027  -2.321
  127    HB   VAL  23           HB       VAL  23  11.268   1.125  -4.076
  128   HG11  VAL  23          1HG1      VAL  23  13.488   0.204  -5.288
  129   HG12  VAL  23          2HG1      VAL  23  12.721   1.741  -5.692
  130   HG13  VAL  23          3HG1      VAL  23  14.110   1.707  -4.606
  131   HG21  VAL  23          1HG2      VAL  23  13.414  -0.421  -2.629
  132   HG22  VAL  23          2HG2      VAL  23  11.676  -0.483  -2.335
  133   HG23  VAL  23          3HG2      VAL  23  12.338  -1.107  -3.845
  134    H    GLY  24           H        GLY  24  14.277   3.981  -2.843
  135    HA2  GLY  24          2HA       GLY  24  12.423   5.862  -4.153
  136    HA3  GLY  24          3HA       GLY  24  13.831   6.326  -3.209
  137    H    TYR  25           H        TYR  25  12.651   6.100  -6.267
  138    HA   TYR  25           HA       TYR  25  15.033   5.242  -7.630
  139    HB2  TYR  25          2HB       TYR  25  12.416   5.381  -8.356
  140    HB3  TYR  25          3HB       TYR  25  13.048   6.828  -9.133
  141    HD1  TYR  25           HD1      TYR  25  14.203   6.673 -11.163
  142    HD2  TYR  25           HD2      TYR  25  13.591   3.160  -8.841
  143    HE1  TYR  25           HE1      TYR  25  15.066   5.305 -13.016
  144    HE2  TYR  25           HE2      TYR  25  14.454   1.783 -10.687
  145    HH   TYR  25           HH       TYR  25  15.653   1.873 -12.648
  146    H    CYS  26           H        CYS  26  16.796   6.474  -7.509
  147    HA   CYS  26           HA       CYS  26  16.496   9.368  -7.981
  148    HB2  CYS  26          2HB       CYS  26  18.538   7.974  -6.236
  149    HB3  CYS  26          3HB       CYS  26  18.512   9.700  -6.583
  150    H    GLY  27           H        GLY  27  17.084   9.681 -10.039
  151    HA2  GLY  27          2HA       GLY  27  18.970   8.042 -11.410
  152    HA3  GLY  27          3HA       GLY  27  18.280   9.547 -12.001
  153    H    ASN  28           H        ASN  28  20.156  10.414 -12.807
  154    HA   ASN  28           HA       ASN  28  22.445  10.698 -11.015
  155    HB2  ASN  28          2HB       ASN  28  22.610   9.971 -13.481
  156    HB3  ASN  28          3HB       ASN  28  22.316  11.665 -13.864
  157   HD21  ASN  28          1HD2      ASN  28  24.117  12.669 -14.341
  158   HD22  ASN  28          2HD2      ASN  28  25.650  12.441 -13.577
  159    H    ASN  29           H        ASN  29  20.466  12.145  -9.997
  160    HA   ASN  29           HA       ASN  29  20.768  14.896 -10.961
  161    HB2  ASN  29          2HB       ASN  29  18.861  13.757  -8.904
  162    HB3  ASN  29          3HB       ASN  29  18.864  15.417  -9.495
  163   HD21  ASN  29          1HD2      ASN  29  17.550  12.392  -9.870
  164   HD22  ASN  29          2HD2      ASN  29  16.850  12.592 -11.437
  165    H    GLY  30           H        GLY  30  20.587  13.298  -7.769
  166    HA2  GLY  30          2HA       GLY  30  23.068  14.314  -6.865
  167    HA3  GLY  30          3HA       GLY  30  21.769  15.360  -6.312
  168    H    VAL  31           H        VAL  31  22.515  14.719  -4.165
  169    HA   VAL  31           HA       VAL  31  21.883  11.982  -3.372
  170    HB   VAL  31           HB       VAL  31  22.990  14.224  -1.678
  171   HG11  VAL  31          1HG1      VAL  31  23.668  11.545  -0.867
  172   HG12  VAL  31          2HG1      VAL  31  22.876  12.829   0.050
  173   HG13  VAL  31          3HG1      VAL  31  21.919  11.745  -0.961
  174   HG21  VAL  31          1HG2      VAL  31  24.343  12.131  -3.351
  175   HG22  VAL  31          2HG2      VAL  31  24.628  13.871  -3.314
  176   HG23  VAL  31          3HG2      VAL  31  25.143  12.864  -1.961
  177    H    VAL  32           H        VAL  32  20.836  15.298  -2.766
  178    HA   VAL  32           HA       VAL  32  19.042  14.889  -0.698
  179    HB   VAL  32           HB       VAL  32  18.745  16.808  -3.012
  180   HG11  VAL  32          1HG1      VAL  32  17.244  16.429  -0.478
  181   HG12  VAL  32          2HG1      VAL  32  17.550  18.081  -1.018
  182   HG13  VAL  32          3HG1      VAL  32  16.677  16.958  -2.062
  183   HG21  VAL  32          1HG2      VAL  32  19.968  18.376  -1.773
  184   HG22  VAL  32          2HG2      VAL  32  19.840  17.435  -0.287
  185   HG23  VAL  32          3HG2      VAL  32  20.877  16.874  -1.599
  186    H    THR  33           H        THR  33  18.392  14.774  -4.198
  187    HA   THR  33           HA       THR  33  15.685  14.147  -4.072
  188    HB   THR  33           HB       THR  33  17.120  12.784  -6.242
  189    HG1  THR  33           HG1      THR  33  18.485  14.352  -6.603
  190   HG21  THR  33          1HG2      THR  33  14.722  13.241  -6.311
  191   HG22  THR  33          2HG2      THR  33  15.555  14.093  -7.611
  192   HG23  THR  33          3HG2      THR  33  15.036  14.970  -6.172
  193    H    ARG  34           H        RSS  34  18.490  11.967  -4.194
  194    HB2  ARG  34          2HB       RSS  34  19.569   9.608  -4.512
  195    HB3  ARG  34          3HB       RSS  34  19.741  10.312  -2.910
  196    HG2  ARG  34          2HG       RSS  34  18.392   7.700  -3.008
  197    HG3  ARG  34          3HG       RSS  34  20.097   7.703  -3.461
  198    HD2  ARG  34          2HD       RSS  34  20.198   9.239  -1.256
  199    HD3  ARG  34          3HD       RSS  34  18.819   8.218  -0.849
  200    HE   ARG  34           HE       RSS  34  20.912   6.597  -1.781
  201   HH11  ARG  34          1HH2      RSS  34  22.185   5.402  -0.313
  202   HH12  ARG  34          2HH2      RSS  34  22.244   5.881   1.350
  203   HH21  ARG  34          1HH1      RSS  34  20.084   8.601   0.943
  204   HH22  ARG  34          2HH1      RSS  34  21.049   7.699   2.065
  205    H    ASN  35           H        ASN  35  17.544  11.709  -1.614
  206    HA   ASN  35           HA       ASN  35  16.620   9.776   0.325
  207    HB2  ASN  35          2HB       ASN  35  17.177  12.742   0.506
  208    HB3  ASN  35          3HB       ASN  35  16.625  11.770   1.868
  209   HD21  ASN  35          1HD2      ASN  35  19.268  13.049   0.435
  210   HD22  ASN  35          2HD2      ASN  35  20.482  11.981   1.045
  211    H    ALA  36           H        ALA  36  15.319  12.587  -1.376
  212    HA   ALA  36           HA       ALA  36  12.873  12.816  -0.068
  213    HB1  ALA  36          1HB       ALA  36  12.336  14.322  -1.666
  214    HB2  ALA  36          2HB       ALA  36  14.052  14.179  -2.051
  215    HB3  ALA  36          3HB       ALA  36  12.860  13.275  -2.985
  216    H    ASN  37           H        ASN  37  13.704  10.890  -2.943
  217    HA   ASN  37           HA       ASN  37  11.158   9.816  -3.394
  218    HB2  ASN  37          2HB       ASN  37  13.915   8.766  -4.038
  219    HB3  ASN  37          3HB       ASN  37  12.439   7.965  -4.570
  220   HD21  ASN  37          1HD2      ASN  37  11.792   8.472  -6.523
  221   HD22  ASN  37          2HD2      ASN  37  12.117   9.951  -7.356
  222    H    ALA  38           H        ALA  38  13.943   8.275  -1.780
  223    HA   ALA  38           HA       ALA  38  12.601   5.995  -0.896
  224    HB1  ALA  38          1HB       ALA  38  14.938   5.922  -0.811
  225    HB2  ALA  38          2HB       ALA  38  15.041   7.422   0.111
  226    HB3  ALA  38          3HB       ALA  38  14.439   5.954   0.881
  227    H    ASN  39           H        ASN  39  12.574   9.237   0.318
  228    HA   ASN  39           HA       ASN  39  11.672   8.642   2.952
  229    HB2  ASN  39          2HB       ASN  39  11.944  11.081   1.275
  230    HB3  ASN  39          3HB       ASN  39  10.811  11.161   2.621
  231   HD21  ASN  39          1HD2      ASN  39  12.692  12.862   2.913
  232   HD22  ASN  39          2HD2      ASN  39  13.933  12.347   3.998
  233    H    VAL  40           H        VAL  40  10.092   9.193  -0.125
  234    HA   VAL  40           HA       VAL  40   7.452   9.407   0.982
  235    HB   VAL  40           HB       VAL  40   8.320   8.888  -1.865
  236   HG11  VAL  40          1HG1      VAL  40   6.079   8.155  -1.664
  237   HG12  VAL  40          2HG1      VAL  40   5.639   9.541  -0.664
  238   HG13  VAL  40          3HG1      VAL  40   6.008   9.768  -2.374
  239   HG21  VAL  40          1HG2      VAL  40   7.320  11.480  -0.724
  240   HG22  VAL  40          2HG2      VAL  40   9.033  11.061  -0.728
  241   HG23  VAL  40          3HG2      VAL  40   8.155  11.198  -2.252
  242    H    ALA  41           H        ALA  41   9.486   6.839  -0.217
  243    HA   ALA  41           HA       ALA  41   7.326   4.913  -0.319
  244    HB1  ALA  41          1HB       ALA  41   9.585   5.051  -1.714
  245    HB2  ALA  41          2HB       ALA  41  10.154   4.027  -0.395
  246    HB3  ALA  41          3HB       ALA  41   8.778   3.520  -1.375
  247    H    LYS  42           H        KSS  42  10.283   5.350   1.622
  248    HB2  LYS  42          2HB       KSS  42  11.481   4.350   4.827
  249    HB3  LYS  42          3HB       KSS  42  11.937   4.815   3.193
  250    HG2  LYS  42          2HG       KSS  42  12.000   6.865   4.128
  251    HG3  LYS  42          3HG       KSS  42  10.275   6.829   3.758
  252    HD2  LYS  42          2HD       KSS  42   9.707   6.815   5.924
  253    HD3  LYS  42          3HD       KSS  42  10.922   5.598   6.321
  254    HE2  LYS  42          2HE       KSS  42  11.810   7.335   7.479
  255    HE3  LYS  42          3HE       KSS  42  12.539   7.680   5.912
  256    HZ1  LYS  42          1HZ       KSS  42  10.556   9.163   7.380
  257    HZ2  LYS  42          2HZ       KSS  42  10.162   8.944   5.750
  258    HZ3  LYS  42          3HZ       KSS  42  11.623   9.684   6.175
  259    H    THR  43           H        THR  43   8.338   6.327   3.313
  260    HA   THR  43           HA       THR  43   7.133   5.940   5.921
  261    HB   THR  43           HB       THR  43   6.612   8.073   3.840
  262    HG1  THR  43           HG1      THR  43   8.659   8.369   4.623
  263   HG21  THR  43          1HG2      THR  43   5.590   7.632   6.623
  264   HG22  THR  43          2HG2      THR  43   4.704   8.097   5.170
  265   HG23  THR  43          3HG2      THR  43   5.751   9.265   5.977
  266    H    ALA  44           H        ALA  44   6.235   5.678   2.532
  267    HA   ALA  44           HA       ALA  44   3.450   5.344   2.944
  268    HB1  ALA  44          1HB       ALA  44   5.292   4.706   0.664
  269    HB2  ALA  44          2HB       ALA  44   3.579   4.285   0.617
  270    HB3  ALA  44          3HB       ALA  44   4.068   5.971   0.780
  Start of MODEL   14
    1    H1   TRP   1           H        TRP   1   2.578   0.247   1.592
    2    HA   TRP   1           HA       TRP   1   3.699  -1.103  -0.467
    3    HB2  TRP   1          2HB       TRP   1   0.929  -0.482  -1.088
    4    HB3  TRP   1          3HB       TRP   1   2.032   0.224  -2.266
    5    HD1  TRP   1           HD1      TRP   1   2.388  -3.219  -0.527
    6    HE1  TRP   1           HE1      TRP   1   2.482  -5.026  -2.357
    7    HE3  TRP   1           HE3      TRP   1   1.602  -0.265  -4.626
    8    HZ2  TRP   1           HZ2      TRP   1   2.254  -5.179  -5.167
    9    HZ3  TRP   1           HZ3      TRP   1   1.555  -1.321  -6.848
   10    HH2  TRP   1           HH2      TRP   1   1.875  -3.727  -7.111
   11    H    GLY   2           H        GLY   2   5.422   0.128  -0.804
   12    HA2  GLY   2          2HA       GLY   2   5.018   3.034  -1.129
   13    HA3  GLY   2          3HA       GLY   2   6.306   2.405  -0.113
   14    H    CYS   3           H        CYS   3   5.337   3.214  -3.290
   15    HA   CYS   3           HA       CYS   3   8.027   2.609  -4.255
   16    HB2  CYS   3          2HB       CYS   3   5.808   1.022  -4.935
   17    HB3  CYS   3          3HB       CYS   3   6.115   2.037  -6.341
   18    H    VAL   4           H        VAL   4   8.812   4.458  -4.995
   19    HA   VAL   4           HA       VAL   4   7.005   6.272  -6.456
   20    HB   VAL   4           HB       VAL   4   7.615   7.186  -4.237
   21   HG11  VAL   4          1HG1      VAL   4   9.780   6.195  -3.919
   22   HG12  VAL   4          2HG1      VAL   4  10.422   7.038  -5.330
   23   HG13  VAL   4          3HG1      VAL   4   9.954   7.949  -3.893
   24   HG21  VAL   4          1HG2      VAL   4   9.017   8.826  -6.315
   25   HG22  VAL   4          2HG2      VAL   4   7.276   8.557  -6.400
   26   HG23  VAL   4          3HG2      VAL   4   7.977   9.356  -4.992
   27    H    CYS   5           H        CYS   5   7.877   7.404  -8.213
   28    HA   CYS   5           HA       CYS   5  10.580   6.650  -9.067
   29    HB2  CYS   5          2HB       CYS   5   8.202   6.575 -10.929
   30    HB3  CYS   5          3HB       CYS   5   9.853   6.079 -11.285
   31    H    SER   6           H        SER   6  11.653   8.177 -10.280
   32    HA   SER   6           HA       SER   6  10.505  10.848 -10.199
   33    HB2  SER   6          2HB       SER   6  12.814  10.483  -9.394
   34    HB3  SER   6          3HB       SER   6  13.283   9.952 -11.010
   35    HG   SER   6           HG       SER   6  13.316  11.960 -11.663
   36    H    GLY   7           H        GLY   7   8.973   9.776 -11.939
   37    HA2  GLY   7          2HA       GLY   7   9.563  11.081 -14.398
   38    HA3  GLY   7          3HA       GLY   7   9.759   9.342 -14.557
   39    H    SER   8           H        SER   8   7.968   8.017 -14.573
   40    HA   SER   8           HA       SER   8   5.364   9.398 -14.571
   41    HB2  SER   8          2HB       SER   8   6.621   7.980 -16.685
   42    HB3  SER   8          3HB       SER   8   5.257   7.003 -16.141
   43    HG   SER   8           HG       SER   8   3.886   8.669 -16.579
   44    H    THR   9           H        THR   9   3.525   7.688 -14.398
   45    HA   THR   9           HA       THR   9   3.925   6.323 -11.900
   46    HB   THR   9           HB       THR   9   1.496   5.581 -12.328
   47    HG1  THR   9           HG1      THR   9   0.638   6.173 -14.165
   48   HG21  THR   9          1HG2      THR   9   1.175   8.418 -12.303
   49   HG22  THR   9          2HG2      THR   9   2.627   8.002 -11.392
   50   HG23  THR   9          3HG2      THR   9   1.077   7.284 -10.956
   51    H    ALA  10           H        ALA  10   3.604   5.422 -15.273
   52    HA   ALA  10           HA       ALA  10   3.130   2.681 -14.975
   53    HB1  ALA  10          1HB       ALA  10   4.722   2.950 -17.252
   54    HB2  ALA  10          2HB       ALA  10   2.960   2.956 -17.172
   55    HB3  ALA  10          3HB       ALA  10   3.851   4.477 -17.107
   56    H    VAL  11           H        VAL  11   6.135   4.528 -14.959
   57    HA   VAL  11           HA       VAL  11   7.788   2.168 -14.812
   58    HB   VAL  11           HB       VAL  11   8.685   4.119 -15.926
   59   HG11  VAL  11          1HG1      VAL  11   7.528   5.893 -14.821
   60   HG12  VAL  11          2HG1      VAL  11   8.281   5.496 -13.276
   61   HG13  VAL  11          3HG1      VAL  11   9.256   6.154 -14.591
   62   HG21  VAL  11          1HG2      VAL  11  10.002   2.619 -14.029
   63   HG22  VAL  11          2HG2      VAL  11  10.759   3.666 -15.229
   64   HG23  VAL  11          3HG2      VAL  11  10.435   4.275 -13.606
   65    H    ALA  12           H        ALS  12   6.338   4.432 -12.597
   66    HB1  ALA  12          1HB       ALS  12   6.303   5.809 -10.520
   67    HB2  ALA  12          2HB       ALS  12   4.985   4.641 -10.417
   68    HB3  ALA  12          3HB       ALS  12   6.073   4.867  -9.047
   69    H    ASN  13           H        ASN  13   4.923   2.385 -11.397
   70    HA   ASN  13           HA       ASN  13   5.004   0.492  -9.228
   71    HB2  ASN  13          2HB       ASN  13   2.945  -0.291 -10.012
   72    HB3  ASN  13          3HB       ASN  13   2.917   1.412 -10.461
   73   HD21  ASN  13          1HD2      ASN  13   3.366   1.971 -12.654
   74   HD22  ASN  13          2HD2      ASN  13   3.052   0.839 -13.921
   75    H    SER  14           H        SER  14   6.126   0.648 -12.503
   76    HA   SER  14           HA       SER  14   6.316  -2.012 -13.216
   77    HB2  SER  14          2HB       SER  14   6.883  -0.204 -14.756
   78    HB3  SER  14          3HB       SER  14   8.294   0.211 -13.782
   79    HG   SER  14           HG       SER  14   7.914  -1.872 -15.568
   80    H    HIS  15           H        HIS  15   8.406  -0.131 -11.098
   81    HA   HIS  15           HA       HIS  15  10.170  -2.419 -10.691
   82    HB2  HIS  15          2HB       HIS  15  10.357   0.479 -10.296
   83    HB3  HIS  15          3HB       HIS  15  11.033  -0.455  -8.965
   84    HD1  HIS  15           HD1      HIS  15  13.121  -1.907  -9.476
   85    HD2  HIS  15           HD2      HIS  15  11.784   0.361 -12.690
   86    HE1  HIS  15           HE1      HIS  15  14.981  -1.975 -11.167
   87    H    ASN  16           H        NSS  16   8.463  -0.120  -8.556
   88    HB2  ASN  16          2HB       NSS  16   6.264  -2.043  -8.079
   89    HB3  ASN  16          3HB       NSS  16   6.892  -3.199  -6.908
   90   HD21  ASN  16          1HD2      NSS  16   4.987  -0.276  -7.285
   91   HD22  ASN  16          2HD2      NSS  16   4.067  -0.465  -5.835
   92    H    ALA  17           H        ALA  17   7.414  -2.396  -4.663
   93    HA   ALA  17           HA       ALA  17   9.885  -3.839  -4.416
   94    HB1  ALA  17          1HB       ALA  17  11.084  -2.426  -3.197
   95    HB2  ALA  17          2HB       ALA  17   9.837  -1.200  -3.436
   96    HB3  ALA  17          3HB       ALA  17   9.770  -2.265  -2.032
   97    H    GLY  18           H        GLY  18   7.525  -2.417  -2.140
   98    HA2  GLY  18          2HA       GLY  18   5.882  -4.560  -1.722
   99    HA3  GLY  18          3HA       GLY  18   7.280  -4.899  -0.714
  100    HA   PRO  19           HA       PRO  19   4.149  -2.076   1.443
  101    HB2  PRO  19          2HB       PRO  19   3.313  -3.851   3.318
  102    HB3  PRO  19          3HB       PRO  19   2.526  -3.673   1.745
  103    HG2  PRO  19          2HG       PRO  19   4.520  -5.717   2.645
  104    HG3  PRO  19          3HG       PRO  19   3.046  -5.939   1.684
  105    HD2  PRO  19          2HD       PRO  19   5.512  -5.841   0.569
  106    HD3  PRO  19          3HD       PRO  19   4.062  -5.245  -0.265
  107    H    ALA  20           H        ALA  20   6.620  -4.336   2.461
  108    HA   ALA  20           HA       ALA  20   7.185  -2.650   4.809
  109    HB1  ALA  20          1HB       ALA  20   6.860  -4.757   5.681
  110    HB2  ALA  20          2HB       ALA  20   7.568  -5.563   4.280
  111    HB3  ALA  20          3HB       ALA  20   8.608  -4.740   5.443
  112    H    TYR  21           H        TYR  21   8.009  -2.258   1.949
  113    HA   TYR  21           HA       TYR  21  10.887  -1.999   2.474
  114    HB2  TYR  21          2HB       TYR  21   9.678  -2.944  -0.134
  115    HB3  TYR  21          3HB       TYR  21  11.386  -2.630   0.150
  116    HD1  TYR  21           HD1      TYR  21   8.590  -4.905   0.843
  117    HD2  TYR  21           HD2      TYR  21  12.747  -4.189   1.396
  118    HE1  TYR  21           HE1      TYR  21   8.885  -7.230   1.589
  119    HE2  TYR  21           HE2      TYR  21  13.054  -6.512   2.143
  120    HH   TYR  21           HH       TYR  21  11.830  -8.342   3.013
  121    H    CYS  22           H        CYS  22  11.763  -0.089   1.890
  122    HA   CYS  22           HA       CYS  22   9.992   1.828   0.524
  123    HB2  CYS  22          2HB       CYS  22  12.133   2.257   2.610
  124    HB3  CYS  22          3HB       CYS  22  11.412   3.574   1.689
  125    H    VAL  23           H        VAL  23  10.579   2.363  -1.463
  126    HA   VAL  23           HA       VAL  23  13.447   2.423  -2.128
  127    HB   VAL  23           HB       VAL  23  11.248   1.399  -3.929
  128   HG11  VAL  23          1HG1      VAL  23  14.096   2.105  -4.375
  129   HG12  VAL  23          2HG1      VAL  23  13.462   0.678  -5.195
  130   HG13  VAL  23          3HG1      VAL  23  12.710   2.252  -5.455
  131   HG21  VAL  23          1HG2      VAL  23  12.271  -0.771  -3.697
  132   HG22  VAL  23          2HG2      VAL  23  13.542  -0.104  -2.673
  133   HG23  VAL  23          3HG2      VAL  23  11.876  -0.146  -2.096
  134    H    GLY  24           H        GLY  24  14.135   4.175  -3.236
  135    HA2  GLY  24          2HA       GLY  24  12.089   5.981  -4.356
  136    HA3  GLY  24          3HA       GLY  24  13.340   6.600  -3.288
  137    H    TYR  25           H        TYR  25  12.477   6.045  -6.471
  138    HA   TYR  25           HA       TYR  25  15.061   5.594  -7.595
  139    HB2  TYR  25          2HB       TYR  25  12.851   5.043  -8.693
  140    HB3  TYR  25          3HB       TYR  25  12.655   6.766  -8.997
  141    HD1  TYR  25           HD1      TYR  25  14.977   3.924  -9.633
  142    HD2  TYR  25           HD2      TYR  25  13.552   7.719 -10.927
  143    HE1  TYR  25           HE1      TYR  25  16.277   3.698 -11.709
  144    HE2  TYR  25           HE2      TYR  25  14.847   7.502 -13.007
  145    HH   TYR  25           HH       TYR  25  17.227   5.087 -13.447
  146    H    CYS  26           H        CYS  26  16.655   7.021  -7.613
  147    HA   CYS  26           HA       CYS  26  15.984   9.883  -7.832
  148    HB2  CYS  26          2HB       CYS  26  18.474   8.727  -6.569
  149    HB3  CYS  26          3HB       CYS  26  17.939  10.404  -6.534
  150    H    GLY  27           H        GLY  27  18.628   7.577  -8.501
  151    HA2  GLY  27          2HA       GLY  27  19.650   7.247 -10.595
  152    HA3  GLY  27          3HA       GLY  27  18.906   8.733 -11.168
  153    H    ASN  28           H        ASN  28  20.737   9.685 -11.971
  154    HA   ASN  28           HA       ASN  28  22.999  10.070 -10.151
  155    HB2  ASN  28          2HB       ASN  28  22.684  10.414 -13.131
  156    HB3  ASN  28          3HB       ASN  28  24.098  11.003 -12.262
  157   HD21  ASN  28          1HD2      ASN  28  22.665   8.377 -13.788
  158   HD22  ASN  28          2HD2      ASN  28  23.793   7.158 -13.310
  159    H    ASN  29           H        ASN  29  20.497  11.492  -9.776
  160    HA   ASN  29           HA       ASN  29  20.922  14.196 -10.682
  161    HB2  ASN  29          2HB       ASN  29  18.903  12.977  -8.790
  162    HB3  ASN  29          3HB       ASN  29  18.927  14.684  -9.225
  163   HD21  ASN  29          1HD2      ASN  29  16.935  12.545  -9.688
  164   HD22  ASN  29          2HD2      ASN  29  16.648  12.554 -11.391
  165    H    GLY  30           H        GLY  30  21.001  12.507  -7.549
  166    HA2  GLY  30          2HA       GLY  30  23.226  13.708  -6.499
  167    HA3  GLY  30          3HA       GLY  30  21.922  14.826  -6.132
  168    H    VAL  31           H        VAL  31  22.827  14.177  -3.920
  169    HA   VAL  31           HA       VAL  31  21.951  11.602  -2.936
  170    HB   VAL  31           HB       VAL  31  23.013  13.930  -1.334
  171   HG11  VAL  31          1HG1      VAL  31  23.682  12.123   0.240
  172   HG12  VAL  31          2HG1      VAL  31  21.936  12.289   0.047
  173   HG13  VAL  31          3HG1      VAL  31  22.794  10.978  -0.765
  174   HG21  VAL  31          1HG2      VAL  31  24.357  12.100  -3.170
  175   HG22  VAL  31          2HG2      VAL  31  24.915  13.623  -2.476
  176   HG23  VAL  31          3HG2      VAL  31  25.066  12.126  -1.555
  177    H    VAL  32           H        VAL  32  21.060  15.005  -2.462
  178    HA   VAL  32           HA       VAL  32  19.108  14.729  -0.529
  179    HB   VAL  32           HB       VAL  32  18.984  16.623  -2.880
  180   HG11  VAL  32          1HG1      VAL  32  16.915  16.414  -1.514
  181   HG12  VAL  32          2HG1      VAL  32  17.845  16.925  -0.104
  182   HG13  VAL  32          3HG1      VAL  32  17.637  18.022  -1.471
  183   HG21  VAL  32          1HG2      VAL  32  21.069  17.068  -1.982
  184   HG22  VAL  32          2HG2      VAL  32  20.036  18.180  -1.084
  185   HG23  VAL  32          3HG2      VAL  32  20.563  16.670  -0.340
  186    H    THR  33           H        THR  33  18.629  14.685  -4.062
  187    HA   THR  33           HA       THR  33  15.905  14.191  -4.100
  188    HB   THR  33           HB       THR  33  17.408  12.729  -6.164
  189    HG1  THR  33           HG1      THR  33  18.709  14.305  -6.727
  190   HG21  THR  33          1HG2      THR  33  15.127  14.610  -5.943
  191   HG22  THR  33          2HG2      THR  33  15.280  13.118  -6.871
  192   HG23  THR  33          3HG2      THR  33  16.016  14.606  -7.465
  193    H    ARG  34           H        RSS  34  18.570  11.836  -4.065
  194    HB2  ARG  34          2HB       RSS  34  19.507   9.410  -4.319
  195    HB3  ARG  34          3HB       RSS  34  19.649  10.114  -2.713
  196    HG2  ARG  34          2HG       RSS  34  18.121   7.619  -2.805
  197    HG3  ARG  34          3HG       RSS  34  19.814   7.464  -3.277
  198    HD2  ARG  34          2HD       RSS  34  19.134   9.016  -0.826
  199    HD3  ARG  34          3HD       RSS  34  19.077   7.256  -0.760
  200    HE   ARG  34           HE       RSS  34  21.416   8.902  -0.874
  201   HH11  ARG  34          1HH2      RSS  34  23.449   7.868  -0.845
  202   HH12  ARG  34          2HH2      RSS  34  23.547   6.173  -1.184
  203   HH21  ARG  34          1HH1      RSS  34  20.108   5.777  -1.677
  204   HH22  ARG  34          2HH1      RSS  34  21.648   4.983  -1.658
  205    H    ASN  35           H        ASN  35  17.489  11.662  -1.531
  206    HA   ASN  35           HA       ASN  35  16.352   9.809   0.373
  207    HB2  ASN  35          2HB       ASN  35  17.092  12.734   0.565
  208    HB3  ASN  35          3HB       ASN  35  16.415  11.812   1.904
  209   HD21  ASN  35          1HD2      ASN  35  19.203  12.884   0.550
  210   HD22  ASN  35          2HD2      ASN  35  20.314  11.753   1.237
  211    H    ALA  36           H        ALA  36  15.328  12.750  -1.320
  212    HA   ALA  36           HA       ALA  36  12.855  13.151  -0.161
  213    HB1  ALA  36          1HB       ALA  36  12.831  14.796  -1.645
  214    HB2  ALA  36          2HB       ALA  36  14.227  14.083  -2.455
  215    HB3  ALA  36          3HB       ALA  36  12.595  13.635  -2.952
  216    H    ASN  37           H        ASN  37  13.669  11.038  -2.901
  217    HA   ASN  37           HA       ASN  37  11.038  10.136  -3.379
  218    HB2  ASN  37          2HB       ASN  37  13.728   8.918  -4.021
  219    HB3  ASN  37          3HB       ASN  37  12.201   8.228  -4.565
  220   HD21  ASN  37          1HD2      ASN  37  11.323   8.970  -6.379
  221   HD22  ASN  37          2HD2      ASN  37  11.865  10.357  -7.256
  222    H    ALA  38           H        ALA  38  13.748   8.543  -1.692
  223    HA   ALA  38           HA       ALA  38  12.389   6.279  -0.833
  224    HB1  ALA  38          1HB       ALA  38  14.122   6.074   0.883
  225    HB2  ALA  38          2HB       ALA  38  14.808   6.505  -0.685
  226    HB3  ALA  38          3HB       ALA  38  14.629   7.734   0.567
  227    H    ASN  39           H        ASN  39  12.243   9.537   0.337
  228    HA   ASN  39           HA       ASN  39  11.187   8.970   2.915
  229    HB2  ASN  39          2HB       ASN  39  11.615  11.359   1.242
  230    HB3  ASN  39          3HB       ASN  39  10.266  11.478   2.367
  231   HD21  ASN  39          1HD2      ASN  39  13.390  12.197   2.027
  232   HD22  ASN  39          2HD2      ASN  39  13.910  12.139   3.674
  233    H    VAL  40           H        VAL  40   9.795   9.347  -0.265
  234    HA   VAL  40           HA       VAL  40   7.084   9.567   0.661
  235    HB   VAL  40           HB       VAL  40   8.139   8.922  -2.096
  236   HG11  VAL  40          1HG1      VAL  40   5.899   9.599  -2.864
  237   HG12  VAL  40          2HG1      VAL  40   5.850   8.166  -1.835
  238   HG13  VAL  40          3HG1      VAL  40   5.382   9.738  -1.184
  239   HG21  VAL  40          1HG2      VAL  40   8.757  11.062  -2.126
  240   HG22  VAL  40          2HG2      VAL  40   7.042  11.472  -2.088
  241   HG23  VAL  40          3HG2      VAL  40   7.962  11.386  -0.586
  242    H    ALA  41           H        ALA  41   9.201   6.985  -0.424
  243    HA   ALA  41           HA       ALA  41   7.092   5.019  -0.500
  244    HB1  ALA  41          1HB       ALA  41  10.085   4.685  -0.653
  245    HB2  ALA  41          2HB       ALA  41   8.892   3.422  -0.960
  246    HB3  ALA  41          3HB       ALA  41   8.981   4.828  -2.021
  247    H    LYS  42           H        KSS  42   9.934   5.609   1.565
  248    HB2  LYS  42          2HB       KSS  42  10.994   4.762   4.862
  249    HB3  LYS  42          3HB       KSS  42  11.524   5.166   3.234
  250    HG2  LYS  42          2HG       KSS  42  11.496   7.257   4.070
  251    HG3  LYS  42          3HG       KSS  42   9.789   7.163   3.630
  252    HD2  LYS  42          2HD       KSS  42   9.632   7.904   5.799
  253    HD3  LYS  42          3HD       KSS  42   9.548   6.158   6.044
  254    HE2  LYS  42          2HE       KSS  42  12.192   6.458   6.170
  255    HE3  LYS  42          3HE       KSS  42  11.719   8.075   6.691
  256    HZ1  LYS  42          1HZ       KSS  42  11.370   5.513   8.034
  257    HZ2  LYS  42          2HZ       KSS  42  10.112   6.631   8.204
  258    HZ3  LYS  42          3HZ       KSS  42  11.680   7.044   8.685
  259    H    THR  43           H        THR  43   7.844   6.554   3.070
  260    HA   THR  43           HA       THR  43   6.568   6.330   5.655
  261    HB   THR  43           HB       THR  43   6.001   8.205   3.350
  262    HG1  THR  43           HG1      THR  43   7.676   8.307   5.610
  263   HG21  THR  43          1HG2      THR  43   5.106   9.374   5.691
  264   HG22  THR  43          2HG2      THR  43   4.593   7.694   5.844
  265   HG23  THR  43          3HG2      THR  43   4.098   8.643   4.443
  266    H    ALA  44           H        ALA  44   5.776   5.698   2.285
  267    HA   ALA  44           HA       ALA  44   3.028   5.029   2.877
  268    HB1  ALA  44          1HB       ALA  44   4.352   4.324   0.297
  269    HB2  ALA  44          2HB       ALA  44   2.701   4.863   0.604
  270    HB3  ALA  44          3HB       ALA  44   4.033   6.016   0.681
  Start of MODEL   15
    1    H1   TRP   1           H        TRP   1   2.529   0.494   1.229
    2    HA   TRP   1           HA       TRP   1   3.353  -0.893  -1.074
    3    HB2  TRP   1          2HB       TRP   1   0.630   0.212  -1.129
    4    HB3  TRP   1          3HB       TRP   1   1.640   0.723  -2.479
    5    HD1  TRP   1           HD1      TRP   1   0.820  -2.664  -0.741
    6    HE1  TRP   1           HE1      TRP   1   0.544  -4.441  -2.582
    7    HE3  TRP   1           HE3      TRP   1   1.799   0.245  -4.830
    8    HZ2  TRP   1           HZ2      TRP   1   0.719  -4.590  -5.396
    9    HZ3  TRP   1           HZ3      TRP   1   1.725  -0.792  -7.060
   10    HH2  TRP   1           HH2      TRP   1   1.197  -3.160  -7.335
   11    H    GLY   2           H        GLY   2   5.233   0.273  -0.532
   12    HA2  GLY   2          2HA       GLY   2   5.089   3.176  -1.057
   13    HA3  GLY   2          3HA       GLY   2   6.299   2.409  -0.039
   14    H    CYS   3           H        CYS   3   5.433   3.344  -3.223
   15    HA   CYS   3           HA       CYS   3   8.104   2.640  -4.150
   16    HB2  CYS   3          2HB       CYS   3   5.946   1.011  -4.793
   17    HB3  CYS   3          3HB       CYS   3   6.131   2.043  -6.207
   18    H    VAL   4           H        VAL   4   8.908   4.494  -4.859
   19    HA   VAL   4           HA       VAL   4   7.155   6.281  -6.419
   20    HB   VAL   4           HB       VAL   4   7.699   7.244  -4.211
   21   HG11  VAL   4          1HG1      VAL   4  10.541   7.004  -5.187
   22   HG12  VAL   4          2HG1      VAL   4  10.045   7.988  -3.808
   23   HG13  VAL   4          3HG1      VAL   4   9.828   6.238  -3.768
   24   HG21  VAL   4          1HG2      VAL   4   7.326   8.677  -6.189
   25   HG22  VAL   4          2HG2      VAL   4   8.414   9.412  -5.011
   26   HG23  VAL   4          3HG2      VAL   4   9.066   8.688  -6.481
   27    H    CYS   5           H        CYS   5   8.080   7.373  -8.173
   28    HA   CYS   5           HA       CYS   5  10.795   6.568  -8.945
   29    HB2  CYS   5          2HB       CYS   5   8.479   6.548 -10.883
   30    HB3  CYS   5          3HB       CYS   5  10.121   5.980 -11.166
   31    H    SER   6           H        SER   6  11.905   8.036 -10.237
   32    HA   SER   6           HA       SER   6  10.803  10.740 -10.194
   33    HB2  SER   6          2HB       SER   6  13.015  10.519  -9.251
   34    HB3  SER   6          3HB       SER   6  13.602   9.708 -10.703
   35    HG   SER   6           HG       SER   6  13.485  12.327 -10.186
   36    H    GLY   7           H        GLY   7   9.324   9.807 -11.983
   37    HA2  GLY   7          2HA       GLY   7  10.089  11.005 -14.430
   38    HA3  GLY   7          3HA       GLY   7  10.242   9.259 -14.555
   39    H    SER   8           H        SER   8   8.388   7.963 -14.482
   40    HA   SER   8           HA       SER   8   5.841   9.426 -14.707
   41    HB2  SER   8          2HB       SER   8   7.127   8.037 -16.757
   42    HB3  SER   8          3HB       SER   8   5.871   6.932 -16.198
   43    HG   SER   8           HG       SER   8   5.516   8.879 -17.829
   44    H    THR   9           H        THR   9   3.935   7.824 -14.527
   45    HA   THR   9           HA       THR   9   4.200   6.497 -11.990
   46    HB   THR   9           HB       THR   9   1.707   5.805 -12.821
   47    HG1  THR   9           HG1      THR   9   1.897   6.895 -14.804
   48   HG21  THR   9          1HG2      THR   9   1.208   8.275 -11.836
   49   HG22  THR   9          2HG2      THR   9   2.873   8.046 -11.300
   50   HG23  THR   9          3HG2      THR   9   1.629   6.885 -10.836
   51    H    ALA  10           H        ALA  10   3.998   5.548 -15.348
   52    HA   ALA  10           HA       ALA  10   3.356   2.833 -14.996
   53    HB1  ALA  10          1HB       ALA  10   4.924   4.170 -17.197
   54    HB2  ALA  10          2HB       ALA  10   4.287   2.526 -17.258
   55    HB3  ALA  10          3HB       ALA  10   3.182   3.897 -17.160
   56    H    VAL  11           H        VAL  11   6.420   4.562 -14.921
   57    HA   VAL  11           HA       VAL  11   7.987   2.144 -14.736
   58    HB   VAL  11           HB       VAL  11   8.947   4.099 -15.829
   59   HG11  VAL  11          1HG1      VAL  11   8.667   5.408 -13.128
   60   HG12  VAL  11          2HG1      VAL  11   9.607   6.069 -14.467
   61   HG13  VAL  11          3HG1      VAL  11   7.861   5.874 -14.625
   62   HG21  VAL  11          1HG2      VAL  11  10.767   4.158 -13.602
   63   HG22  VAL  11          2HG2      VAL  11  10.182   2.517 -13.878
   64   HG23  VAL  11          3HG2      VAL  11  10.961   3.408 -15.186
   65    H    ALA  12           H        ALS  12   6.577   4.474 -12.559
   66    HB1  ALA  12          1HB       ALS  12   5.166   4.705 -10.393
   67    HB2  ALA  12          2HB       ALS  12   6.249   4.932  -9.019
   68    HB3  ALA  12          3HB       ALS  12   6.507   5.845 -10.505
   69    H    ASN  13           H        ASN  13   5.081   2.451 -11.406
   70    HA   ASN  13           HA       ASN  13   5.046   0.568  -9.226
   71    HB2  ASN  13          2HB       ASN  13   3.007  -0.211 -10.114
   72    HB3  ASN  13          3HB       ASN  13   3.006   1.516 -10.461
   73   HD21  ASN  13          1HD2      ASN  13   3.497   2.203 -12.602
   74   HD22  ASN  13          2HD2      ASN  13   3.213   1.151 -13.943
   75    H    SER  14           H        SER  14   6.267   0.681 -12.468
   76    HA   SER  14           HA       SER  14   6.409  -1.987 -13.163
   77    HB2  SER  14          2HB       SER  14   7.071  -0.368 -14.777
   78    HB3  SER  14          3HB       SER  14   8.310   0.294 -13.711
   79    HG   SER  14           HG       SER  14   9.427  -0.999 -15.047
   80    H    HIS  15           H        HIS  15   8.593  -0.123 -11.098
   81    HA   HIS  15           HA       HIS  15  10.242  -2.465 -10.595
   82    HB2  HIS  15          2HB       HIS  15  10.581   0.391 -10.393
   83    HB3  HIS  15          3HB       HIS  15  11.010  -0.378  -8.868
   84    HD1  HIS  15           HD1      HIS  15  12.968  -2.146  -8.960
   85    HD2  HIS  15           HD2      HIS  15  12.387   0.040 -12.445
   86    HE1  HIS  15           HE1      HIS  15  15.051  -2.492 -10.326
   87    H    ASN  16           H        NSS  16   8.580  -0.086  -8.515
   88    HB2  ASN  16          2HB       NSS  16   6.306  -1.925  -8.052
   89    HB3  ASN  16          3HB       NSS  16   6.875  -3.089  -6.859
   90   HD21  ASN  16          1HD2      NSS  16   5.004  -0.178  -7.352
   91   HD22  ASN  16          2HD2      NSS  16   4.086  -0.291  -5.894
   92    H    ALA  17           H        ALA  17   7.391  -2.280  -4.614
   93    HA   ALA  17           HA       ALA  17   9.817  -3.793  -4.313
   94    HB1  ALA  17          1HB       ALA  17   9.490  -1.972  -2.026
   95    HB2  ALA  17          2HB       ALA  17  10.955  -2.573  -2.803
   96    HB3  ALA  17          3HB       ALA  17  10.068  -1.226  -3.516
   97    H    GLY  18           H        GLY  18   7.351  -2.315  -2.187
   98    HA2  GLY  18          2HA       GLY  18   5.657  -4.376  -1.770
   99    HA3  GLY  18          3HA       GLY  18   7.028  -4.812  -0.761
  100    HA   PRO  19           HA       PRO  19   4.034  -1.921   1.476
  101    HB2  PRO  19          2HB       PRO  19   3.199  -3.695   3.354
  102    HB3  PRO  19          3HB       PRO  19   2.386  -3.489   1.798
  103    HG2  PRO  19          2HG       PRO  19   4.356  -5.578   2.642
  104    HG3  PRO  19          3HG       PRO  19   2.860  -5.764   1.708
  105    HD2  PRO  19          2HD       PRO  19   5.305  -5.704   0.546
  106    HD3  PRO  19          3HD       PRO  19   3.852  -5.074  -0.255
  107    H    ALA  20           H        ALA  20   6.323  -4.368   2.593
  108    HA   ALA  20           HA       ALA  20   7.030  -2.652   4.872
  109    HB1  ALA  20          1HB       ALA  20   7.634  -5.562   4.361
  110    HB2  ALA  20          2HB       ALA  20   8.175  -4.647   5.769
  111    HB3  ALA  20          3HB       ALA  20   6.452  -4.911   5.497
  112    H    TYR  21           H        TYR  21   7.853  -2.315   2.004
  113    HA   TYR  21           HA       TYR  21  10.743  -2.185   2.508
  114    HB2  TYR  21          2HB       TYR  21   9.404  -3.198  -0.003
  115    HB3  TYR  21          3HB       TYR  21  11.105  -2.757   0.083
  116    HD1  TYR  21           HD1      TYR  21  12.673  -4.369   0.663
  117    HD2  TYR  21           HD2      TYR  21   8.596  -4.986   1.711
  118    HE1  TYR  21           HE1      TYR  21  13.225  -6.633   1.449
  119    HE2  TYR  21           HE2      TYR  21   9.136  -7.251   2.501
  120    HH   TYR  21           HH       TYR  21  12.076  -8.289   3.243
  121    H    CYS  22           H        CYS  22  11.707  -0.323   1.901
  122    HA   CYS  22           HA       CYS  22  10.018   1.668   0.535
  123    HB2  CYS  22          2HB       CYS  22  12.160   2.005   2.636
  124    HB3  CYS  22          3HB       CYS  22  11.523   3.352   1.698
  125    H    VAL  23           H        VAL  23  10.697   2.460  -1.350
  126    HA   VAL  23           HA       VAL  23  13.544   2.336  -2.029
  127    HB   VAL  23           HB       VAL  23  11.377   1.339  -3.882
  128   HG11  VAL  23          1HG1      VAL  23  13.408   0.565  -5.198
  129   HG12  VAL  23          2HG1      VAL  23  13.078   2.299  -5.199
  130   HG13  VAL  23          3HG1      VAL  23  14.353   1.643  -4.171
  131   HG21  VAL  23          1HG2      VAL  23  12.578  -0.857  -3.606
  132   HG22  VAL  23          2HG2      VAL  23  13.426  -0.134  -2.239
  133   HG23  VAL  23          3HG2      VAL  23  11.671  -0.309  -2.196
  134    H    GLY  24           H        GLY  24  14.261   4.065  -3.156
  135    HA2  GLY  24          2HA       GLY  24  12.233   5.897  -4.273
  136    HA3  GLY  24          3HA       GLY  24  13.543   6.494  -3.265
  137    H    TYR  25           H        TYR  25  12.541   5.926  -6.401
  138    HA   TYR  25           HA       TYR  25  15.140   5.465  -7.560
  139    HB2  TYR  25          2HB       TYR  25  12.706   4.854  -8.447
  140    HB3  TYR  25          3HB       TYR  25  12.852   6.434  -9.208
  141    HD1  TYR  25           HD1      TYR  25  14.015   6.668 -11.220
  142    HD2  TYR  25           HD2      TYR  25  14.582   3.156  -8.887
  143    HE1  TYR  25           HE1      TYR  25  15.323   5.672 -13.049
  144    HE2  TYR  25           HE2      TYR  25  15.893   2.150 -10.709
  145    HH   TYR  25           HH       TYR  25  15.992   2.482 -13.305
  146    H    CYS  26           H        CYS  26  16.578   7.070  -7.408
  147    HA   CYS  26           HA       CYS  26  15.691   9.832  -7.842
  148    HB2  CYS  26          2HB       CYS  26  18.383   8.875  -6.855
  149    HB3  CYS  26          3HB       CYS  26  17.761  10.521  -6.814
  150    H    GLY  27           H        GLY  27  18.036   7.441  -8.989
  151    HA2  GLY  27          2HA       GLY  27  18.903   7.205 -11.127
  152    HA3  GLY  27          3HA       GLY  27  18.036   8.657 -11.605
  153    H    ASN  28           H        ASN  28  19.236  10.374 -12.060
  154    HA   ASN  28           HA       ASN  28  21.846  10.663 -10.737
  155    HB2  ASN  28          2HB       ASN  28  21.246  10.865 -13.687
  156    HB3  ASN  28          3HB       ASN  28  22.686  11.579 -12.968
  157   HD21  ASN  28          1HD2      ASN  28  20.965   8.572 -13.516
  158   HD22  ASN  28          2HD2      ASN  28  22.347   7.542 -13.395
  159    H    ASN  29           H        ASN  29  21.243  12.312  -9.400
  160    HA   ASN  29           HA       ASN  29  20.882  14.903 -10.642
  161    HB2  ASN  29          2HB       ASN  29  18.828  13.813  -8.703
  162    HB3  ASN  29          3HB       ASN  29  18.886  15.468  -9.302
  163   HD21  ASN  29          1HD2      ASN  29  17.750  12.341  -9.834
  164   HD22  ASN  29          2HD2      ASN  29  17.100  12.579 -11.417
  165    H    GLY  30           H        GLY  30  20.577  13.326  -7.449
  166    HA2  GLY  30          2HA       GLY  30  22.956  14.375  -6.397
  167    HA3  GLY  30          3HA       GLY  30  21.649  15.474  -5.983
  168    H    VAL  31           H        VAL  31  22.940  14.393  -3.926
  169    HA   VAL  31           HA       VAL  31  21.947  11.890  -3.036
  170    HB   VAL  31           HB       VAL  31  22.976  14.136  -1.301
  171   HG11  VAL  31          1HG1      VAL  31  21.918  12.348  -0.056
  172   HG12  VAL  31          2HG1      VAL  31  22.886  11.145  -0.911
  173   HG13  VAL  31          3HG1      VAL  31  23.665  12.291   0.181
  174   HG21  VAL  31          1HG2      VAL  31  25.177  12.901  -1.532
  175   HG22  VAL  31          2HG2      VAL  31  24.457  12.070  -2.911
  176   HG23  VAL  31          3HG2      VAL  31  24.648  13.823  -2.940
  177    H    VAL  32           H        VAL  32  20.935  15.233  -2.485
  178    HA   VAL  32           HA       VAL  32  19.034  14.843  -0.507
  179    HB   VAL  32           HB       VAL  32  18.903  16.800  -2.805
  180   HG11  VAL  32          1HG1      VAL  32  17.050  16.227  -0.703
  181   HG12  VAL  32          2HG1      VAL  32  17.714  17.847  -0.478
  182   HG13  VAL  32          3HG1      VAL  32  16.929  17.417  -1.998
  183   HG21  VAL  32          1HG2      VAL  32  19.864  17.368  -0.019
  184   HG22  VAL  32          2HG2      VAL  32  20.958  16.788  -1.275
  185   HG23  VAL  32          3HG2      VAL  32  20.105  18.317  -1.487
  186    H    THR  33           H        THR  33  18.539  14.820  -4.035
  187    HA   THR  33           HA       THR  33  15.820  14.248  -4.048
  188    HB   THR  33           HB       THR  33  17.411  12.924  -6.160
  189    HG1  THR  33           HG1      THR  33  18.624  14.600  -6.567
  190   HG21  THR  33          1HG2      THR  33  14.972  13.247  -6.304
  191   HG22  THR  33          2HG2      THR  33  15.826  14.076  -7.606
  192   HG23  THR  33          3HG2      THR  33  15.212  14.993  -6.231
  193    H    ARG  34           H        RSS  34  18.571  11.994  -4.125
  194    HB2  ARG  34          2HB       RSS  34  19.590   9.612  -4.466
  195    HB3  ARG  34          3HB       RSS  34  19.740  10.277  -2.844
  196    HG2  ARG  34          2HG       RSS  34  18.323   7.704  -3.046
  197    HG3  ARG  34          3HG       RSS  34  20.045   7.675  -3.434
  198    HD2  ARG  34          2HD       RSS  34  20.598   8.622  -1.296
  199    HD3  ARG  34          3HD       RSS  34  18.894   8.872  -0.919
  200    HE   ARG  34           HE       RSS  34  18.722   6.655  -0.341
  201   HH11  ARG  34          1HH2      RSS  34  19.547   4.584   0.143
  202   HH12  ARG  34          2HH2      RSS  34  21.123   4.142  -0.420
  203   HH21  ARG  34          1HH1      RSS  34  21.734   7.201  -2.000
  204   HH22  ARG  34          2HH1      RSS  34  22.369   5.630  -1.638
  205    H    ASN  35           H        ASN  35  17.580  11.697  -1.563
  206    HA   ASN  35           HA       ASN  35  16.527   9.754   0.298
  207    HB2  ASN  35          2HB       ASN  35  17.138  12.700   0.615
  208    HB3  ASN  35          3HB       ASN  35  16.629  11.637   1.924
  209   HD21  ASN  35          1HD2      ASN  35  19.204  13.128   0.811
  210   HD22  ASN  35          2HD2      ASN  35  20.449  11.994   1.200
  211    H    ALA  36           H        ALA  36  15.401  12.725  -1.272
  212    HA   ALA  36           HA       ALA  36  12.951  13.038  -0.043
  213    HB1  ALA  36          1HB       ALA  36  14.080  14.521  -1.787
  214    HB2  ALA  36          2HB       ALA  36  13.314  13.483  -2.990
  215    HB3  ALA  36          3HB       ALA  36  12.322  14.392  -1.849
  216    H    ASN  37           H        ASN  37  13.786  10.956  -2.787
  217    HA   ASN  37           HA       ASN  37  11.162  10.042  -3.296
  218    HB2  ASN  37          2HB       ASN  37  13.874   8.874  -3.932
  219    HB3  ASN  37          3HB       ASN  37  12.367   8.133  -4.462
  220   HD21  ASN  37          1HD2      ASN  37  11.660   8.702  -6.382
  221   HD22  ASN  37          2HD2      ASN  37  12.078  10.145  -7.235
  222    H    ALA  38           H        ALA  38  13.873   8.442  -1.617
  223    HA   ALA  38           HA       ALA  38  12.498   6.181  -0.763
  224    HB1  ALA  38          1HB       ALA  38  14.241   6.067   1.038
  225    HB2  ALA  38          2HB       ALA  38  14.870   6.228  -0.602
  226    HB3  ALA  38          3HB       ALA  38  14.833   7.629   0.469
  227    H    ASN  39           H        ASN  39  12.396   9.434   0.421
  228    HA   ASN  39           HA       ASN  39  11.363   8.859   3.010
  229    HB2  ASN  39          2HB       ASN  39  12.381  10.987   2.708
  230    HB3  ASN  39          3HB       ASN  39  11.377  11.350   1.308
  231   HD21  ASN  39          1HD2      ASN  39  10.108  12.979   1.818
  232   HD22  ASN  39          2HD2      ASN  39   9.184  13.131   3.270
  233    H    VAL  40           H        VAL  40   9.939   9.352  -0.149
  234    HA   VAL  40           HA       VAL  40   7.243   9.560   0.825
  235    HB   VAL  40           HB       VAL  40   8.165   8.952  -1.987
  236   HG11  VAL  40          1HG1      VAL  40   5.837   8.449  -1.680
  237   HG12  VAL  40          2HG1      VAL  40   5.563   9.996  -0.877
  238   HG13  VAL  40          3HG1      VAL  40   5.972   9.951  -2.593
  239   HG21  VAL  40          1HG2      VAL  40   9.025  11.008  -1.996
  240   HG22  VAL  40          2HG2      VAL  40   7.371  11.607  -1.866
  241   HG23  VAL  40          3HG2      VAL  40   8.342  11.378  -0.412
  242    H    ALA  41           H        ALA  41   9.346   7.003  -0.300
  243    HA   ALA  41           HA       ALA  41   7.215   5.059  -0.483
  244    HB1  ALA  41          1HB       ALA  41   9.051   3.458  -0.932
  245    HB2  ALA  41          2HB       ALA  41   9.061   4.853  -2.013
  246    HB3  ALA  41          3HB       ALA  41  10.208   4.765  -0.676
  247    H    LYS  42           H        KSS  42  10.047   5.558   1.619
  248    HB2  LYS  42          2HB       KSS  42  11.073   4.610   4.897
  249    HB3  LYS  42          3HB       KSS  42  11.612   5.090   3.294
  250    HG2  LYS  42          2HG       KSS  42  10.340   7.173   3.497
  251    HG3  LYS  42          3HG       KSS  42   9.828   6.692   5.117
  252    HD2  LYS  42          2HD       KSS  42  12.719   6.960   4.314
  253    HD3  LYS  42          3HD       KSS  42  11.783   8.286   5.009
  254    HE2  LYS  42          2HE       KSS  42  12.560   7.478   6.961
  255    HE3  LYS  42          3HE       KSS  42  11.247   6.316   6.781
  256    HZ1  LYS  42          1HZ       KSS  42  12.729   4.694   6.706
  257    HZ2  LYS  42          2HZ       KSS  42  13.986   5.806   6.914
  258    HZ3  LYS  42          3HZ       KSS  42  13.478   5.386   5.356
  259    H    THR  43           H        THR  43   7.964   6.476   3.185
  260    HA   THR  43           HA       THR  43   6.646   6.124   5.728
  261    HB   THR  43           HB       THR  43   5.995   8.063   3.500
  262    HG1  THR  43           HG1      THR  43   8.111   8.360   4.352
  263   HG21  THR  43          1HG2      THR  43   5.233   8.076   6.423
  264   HG22  THR  43          2HG2      THR  43   4.148   7.730   5.076
  265   HG23  THR  43          3HG2      THR  43   4.854   9.337   5.251
  266    H    ALA  44           H        ALA  44   5.893   5.609   2.328
  267    HA   ALA  44           HA       ALA  44   3.133   5.005   2.752
  268    HB1  ALA  44          1HB       ALA  44   3.648   5.750   0.597
  269    HB2  ALA  44          2HB       ALA  44   5.008   4.638   0.438
  270    HB3  ALA  44          3HB       ALA  44   3.355   4.022   0.400
  Start of MODEL   16
    1    H1   TRP   1           H        TRP   1   1.334  -0.451   1.111
    2    HA   TRP   1           HA       TRP   1   3.086  -1.001  -0.253
    3    HB2  TRP   1          2HB       TRP   1   2.858  -0.893  -2.681
    4    HB3  TRP   1          3HB       TRP   1   1.423  -1.622  -1.965
    5    HD1  TRP   1           HD1      TRP   1  -0.804  -0.002  -1.840
    6    HE1  TRP   1           HE1      TRP   1  -1.561   1.866  -3.441
    7    HE3  TRP   1           HE3      TRP   1   3.641   0.893  -4.203
    8    HZ2  TRP   1           HZ2      TRP   1  -0.425   3.502  -5.441
    9    HZ3  TRP   1           HZ3      TRP   1   3.720   2.625  -5.949
   10    HH2  TRP   1           HH2      TRP   1   1.729   3.901  -6.554
   11    H    GLY   2           H        GLY   2   4.926   0.051  -1.112
   12    HA2  GLY   2          2HA       GLY   2   4.737   2.978  -1.348
   13    HA3  GLY   2          3HA       GLY   2   5.894   2.276  -0.226
   14    H    CYS   3           H        CYS   3   5.207   3.056  -3.502
   15    HA   CYS   3           HA       CYS   3   7.949   2.334  -4.225
   16    HB2  CYS   3          2HB       CYS   3   5.714   0.847  -5.075
   17    HB3  CYS   3          3HB       CYS   3   6.202   1.818  -6.461
   18    H    VAL   4           H        VAL   4   8.864   4.159  -4.871
   19    HA   VAL   4           HA       VAL   4   7.263   6.044  -6.478
   20    HB   VAL   4           HB       VAL   4   7.815   6.954  -4.253
   21   HG11  VAL   4          1HG1      VAL   4  10.202   7.552  -3.802
   22   HG12  VAL   4          2HG1      VAL   4   9.857   5.822  -3.751
   23   HG13  VAL   4          3HG1      VAL   4  10.656   6.522  -5.159
   24   HG21  VAL   4          1HG2      VAL   4   8.673   9.078  -5.009
   25   HG22  VAL   4          2HG2      VAL   4   9.339   8.333  -6.462
   26   HG23  VAL   4          3HG2      VAL   4   7.592   8.420  -6.238
   27    H    CYS   5           H        CYS   5   8.278   7.084  -8.210
   28    HA   CYS   5           HA       CYS   5  10.976   6.187  -8.918
   29    HB2  CYS   5          2HB       CYS   5   8.688   6.136 -10.891
   30    HB3  CYS   5          3HB       CYS   5  10.335   5.567 -11.148
   31    H    SER   6           H        SER   6  12.148   7.615 -10.181
   32    HA   SER   6           HA       SER   6  11.127  10.338 -10.199
   33    HB2  SER   6          2HB       SER   6  13.354  10.094  -9.341
   34    HB3  SER   6          3HB       SER   6  13.861   9.173 -10.757
   35    HG   SER   6           HG       SER   6  13.885  11.819 -10.393
   36    H    GLY   7           H        GLY   7   9.533   9.584 -11.907
   37    HA2  GLY   7          2HA       GLY   7  10.243  10.686 -14.393
   38    HA3  GLY   7          3HA       GLY   7  10.343   8.935 -14.517
   39    H    SER   8           H        SER   8   8.403   7.696 -13.985
   40    HA   SER   8           HA       SER   8   5.896   9.190 -14.104
   41    HB2  SER   8          2HB       SER   8   6.978   8.170 -16.422
   42    HB3  SER   8          3HB       SER   8   5.886   6.883 -15.913
   43    HG   SER   8           HG       SER   8   5.033   8.704 -17.269
   44    H    THR   9           H        THR   9   4.001   7.526 -14.044
   45    HA   THR   9           HA       THR   9   4.378   5.964 -11.673
   46    HB   THR   9           HB       THR   9   1.931   5.860 -13.424
   47    HG1  THR   9           HG1      THR   9   1.241   7.753 -12.484
   48   HG21  THR   9          1HG2      THR   9   1.325   6.022 -10.679
   49   HG22  THR   9          2HG2      THR   9   2.655   4.873 -10.828
   50   HG23  THR   9          3HG2      THR   9   1.166   4.621 -11.738
   51    H    ALA  10           H        ALA  10   3.919   5.266 -15.101
   52    HA   ALA  10           HA       ALA  10   3.480   2.538 -15.018
   53    HB1  ALA  10          1HB       ALA  10   3.455   4.039 -17.042
   54    HB2  ALA  10          2HB       ALA  10   5.212   3.880 -17.080
   55    HB3  ALA  10          3HB       ALA  10   4.194   2.454 -17.275
   56    H    VAL  11           H        VAL  11   6.539   4.301 -14.838
   57    HA   VAL  11           HA       VAL  11   8.097   1.868 -14.727
   58    HB   VAL  11           HB       VAL  11   9.086   3.790 -15.815
   59   HG11  VAL  11          1HG1      VAL  11   8.005   5.608 -14.721
   60   HG12  VAL  11          2HG1      VAL  11   8.692   5.157 -13.160
   61   HG13  VAL  11          3HG1      VAL  11   9.736   5.782 -14.437
   62   HG21  VAL  11          1HG2      VAL  11  10.826   3.867 -13.491
   63   HG22  VAL  11          2HG2      VAL  11  10.319   2.227 -13.897
   64   HG23  VAL  11          3HG2      VAL  11  11.126   3.225 -15.106
   65    H    ALA  12           H        ALS  12   6.704   4.152 -12.504
   66    HB1  ALA  12          1HB       ALS  12   5.358   4.416 -10.308
   67    HB2  ALA  12          2HB       ALS  12   6.472   4.599  -8.952
   68    HB3  ALA  12          3HB       ALS  12   6.728   5.521 -10.434
   69    H    ASN  13           H        ASN  13   5.207   2.172 -11.370
   70    HA   ASN  13           HA       ASN  13   5.114   0.279  -9.206
   71    HB2  ASN  13          2HB       ASN  13   3.059  -0.416 -10.082
   72    HB3  ASN  13          3HB       ASN  13   3.126   1.287 -10.527
   73   HD21  ASN  13          1HD2      ASN  13   3.659   1.834 -12.694
   74   HD22  ASN  13          2HD2      ASN  13   3.365   0.716 -13.978
   75    H    SER  14           H        SER  14   6.370   0.368 -12.438
   76    HA   SER  14           HA       SER  14   6.474  -2.304 -13.126
   77    HB2  SER  14          2HB       SER  14   8.233   0.044 -13.724
   78    HB3  SER  14          3HB       SER  14   8.751  -1.564 -14.229
   79    HG   SER  14           HG       SER  14   7.511  -1.169 -15.884
   80    H    HIS  15           H        HIS  15   8.619  -0.480 -10.997
   81    HA   HIS  15           HA       HIS  15  10.254  -2.835 -10.496
   82    HB2  HIS  15          2HB       HIS  15  10.474   0.072  -9.905
   83    HB3  HIS  15          3HB       HIS  15  11.279  -1.039  -8.801
   84    HD1  HIS  15           HD1      HIS  15  11.280  -0.014 -12.434
   85    HD2  HIS  15           HD2      HIS  15  13.640  -2.099  -9.723
   86    HE1  HIS  15           HE1      HIS  15  13.453  -0.445 -13.626
   87    H    ASN  16           H        NSS  16   8.519  -0.473  -8.456
   88    HB2  ASN  16          2HB       NSS  16   6.272  -2.356  -8.041
   89    HB3  ASN  16          3HB       NSS  16   6.834  -3.502  -6.828
   90   HD21  ASN  16          1HD2      NSS  16   4.914  -0.637  -7.388
   91   HD22  ASN  16          2HD2      NSS  16   3.962  -0.760  -5.951
   92    H    ALA  17           H        ALA  17   7.276  -2.672  -4.575
   93    HA   ALA  17           HA       ALA  17   9.676  -4.184  -4.202
   94    HB1  ALA  17          1HB       ALA  17   9.291  -2.018  -2.168
   95    HB2  ALA  17          2HB       ALA  17  10.711  -3.019  -2.474
   96    HB3  ALA  17          3HB       ALA  17  10.266  -1.749  -3.613
   97    H    GLY  18           H        GLY  18   7.135  -2.581  -2.265
   98    HA2  GLY  18          2HA       GLY  18   5.430  -4.547  -1.708
   99    HA3  GLY  18          3HA       GLY  18   6.792  -5.014  -0.700
  100    HA   PRO  19           HA       PRO  19   3.940  -1.893   1.442
  101    HB2  PRO  19          2HB       PRO  19   2.898  -3.578   3.298
  102    HB3  PRO  19          3HB       PRO  19   2.152  -3.309   1.718
  103    HG2  PRO  19          2HG       PRO  19   3.906  -5.559   2.626
  104    HG3  PRO  19          3HG       PRO  19   2.428  -5.617   1.648
  105    HD2  PRO  19          2HD       PRO  19   4.902  -5.778   0.559
  106    HD3  PRO  19          3HD       PRO  19   3.534  -5.026  -0.286
  107    H    ALA  20           H        ALA  20   6.186  -4.374   2.432
  108    HA   ALA  20           HA       ALA  20   6.869  -2.807   4.830
  109    HB1  ALA  20          1HB       ALA  20   7.848  -5.594   4.421
  110    HB2  ALA  20          2HB       ALA  20   7.496  -4.731   5.919
  111    HB3  ALA  20          3HB       ALA  20   6.175  -5.328   4.914
  112    H    TYR  21           H        TYR  21   7.739  -2.396   1.986
  113    HA   TYR  21           HA       TYR  21  10.615  -2.316   2.546
  114    HB2  TYR  21          2HB       TYR  21   9.314  -3.454   0.076
  115    HB3  TYR  21          3HB       TYR  21  10.984  -2.900   0.085
  116    HD1  TYR  21           HD1      TYR  21  12.710  -4.179   1.156
  117    HD2  TYR  21           HD2      TYR  21   8.646  -5.413   1.414
  118    HE1  TYR  21           HE1      TYR  21  13.435  -6.365   2.019
  119    HE2  TYR  21           HE2      TYR  21   9.360  -7.602   2.279
  120    HH   TYR  21           HH       TYR  21  11.078  -8.912   2.783
  121    H    CYS  22           H        CYS  22  11.583  -0.456   1.965
  122    HA   CYS  22           HA       CYS  22   9.944   1.511   0.510
  123    HB2  CYS  22          2HB       CYS  22  12.094   1.894   2.598
  124    HB3  CYS  22          3HB       CYS  22  11.408   3.214   1.658
  125    H    VAL  23           H        VAL  23  10.669   2.322  -1.356
  126    HA   VAL  23           HA       VAL  23  13.514   2.080  -2.020
  127    HB   VAL  23           HB       VAL  23  11.301   1.220  -3.888
  128   HG11  VAL  23          1HG1      VAL  23  13.066   2.172  -5.160
  129   HG12  VAL  23          2HG1      VAL  23  14.293   1.346  -4.198
  130   HG13  VAL  23          3HG1      VAL  23  13.243   0.422  -5.272
  131   HG21  VAL  23          1HG2      VAL  23  11.567  -0.453  -2.200
  132   HG22  VAL  23          2HG2      VAL  23  12.364  -1.032  -3.663
  133   HG23  VAL  23          3HG2      VAL  23  13.324  -0.384  -2.333
  134    H    GLY  24           H        GLY  24  14.324   3.748  -3.201
  135    HA2  GLY  24          2HA       GLY  24  12.398   5.720  -4.254
  136    HA3  GLY  24          3HA       GLY  24  13.743   6.229  -3.243
  137    H    TYR  25           H        TYR  25  12.699   5.728  -6.386
  138    HA   TYR  25           HA       TYR  25  15.336   5.260  -7.508
  139    HB2  TYR  25          2HB       TYR  25  12.991   4.416  -8.381
  140    HB3  TYR  25          3HB       TYR  25  12.968   5.980  -9.186
  141    HD1  TYR  25           HD1      TYR  25  15.498   3.276  -8.625
  142    HD2  TYR  25           HD2      TYR  25  13.611   5.901 -11.391
  143    HE1  TYR  25           HE1      TYR  25  16.886   2.356 -10.435
  144    HE2  TYR  25           HE2      TYR  25  14.993   4.988 -13.209
  145    HH   TYR  25           HH       TYR  25  16.936   2.166 -12.802
  146    H    CYS  26           H        CYS  26  16.675   6.953  -7.451
  147    HA   CYS  26           HA       CYS  26  15.940   9.359  -8.874
  148    HB2  CYS  26          2HB       CYS  26  16.723  10.823  -6.956
  149    HB3  CYS  26          3HB       CYS  26  15.152  10.056  -6.742
  150    H    GLY  27           H        GLY  27  17.603   9.796 -10.154
  151    HA2  GLY  27          2HA       GLY  27  20.317   9.692  -9.098
  152    HA3  GLY  27          3HA       GLY  27  19.964   8.600 -10.429
  153    H    ASN  28           H        ASN  28  21.929  10.503 -10.673
  154    HA   ASN  28           HA       ASN  28  22.685  12.123 -12.079
  155    HB2  ASN  28          2HB       ASN  28  20.776  10.693 -13.520
  156    HB3  ASN  28          3HB       ASN  28  20.338  12.379 -13.778
  157   HD21  ASN  28          1HD2      ASN  28  23.326  10.469 -13.568
  158   HD22  ASN  28          2HD2      ASN  28  24.050  11.136 -14.988
  159    H    ASN  29           H        ASN  29  20.980  12.781  -9.742
  160    HA   ASN  29           HA       ASN  29  20.279  15.515 -10.564
  161    HB2  ASN  29          2HB       ASN  29  18.667  13.697  -8.763
  162    HB3  ASN  29          3HB       ASN  29  18.381  15.428  -8.922
  163   HD21  ASN  29          1HD2      ASN  29  17.349  12.512  -9.915
  164   HD22  ASN  29          2HD2      ASN  29  16.655  12.936 -11.440
  165    H    GLY  30           H        GLY  30  20.230  13.730  -7.480
  166    HA2  GLY  30          2HA       GLY  30  22.599  14.841  -6.440
  167    HA3  GLY  30          3HA       GLY  30  21.244  15.848  -5.952
  168    H    VAL  31           H        VAL  31  22.889  14.464  -4.144
  169    HA   VAL  31           HA       VAL  31  21.945  11.978  -3.308
  170    HB   VAL  31           HB       VAL  31  22.968  14.156  -1.485
  171   HG11  VAL  31          1HG1      VAL  31  23.944  11.932  -0.434
  172   HG12  VAL  31          2HG1      VAL  31  22.323  12.509  -0.042
  173   HG13  VAL  31          3HG1      VAL  31  22.539  11.227  -1.234
  174   HG21  VAL  31          1HG2      VAL  31  24.387  12.346  -3.394
  175   HG22  VAL  31          2HG2      VAL  31  24.651  14.059  -3.068
  176   HG23  VAL  31          3HG2      VAL  31  25.178  12.847  -1.900
  177    H    VAL  32           H        VAL  32  20.819  15.234  -2.518
  178    HA   VAL  32           HA       VAL  32  19.029  14.640  -0.483
  179    HB   VAL  32           HB       VAL  32  18.676  16.727  -2.640
  180   HG11  VAL  32          1HG1      VAL  32  17.536  17.846  -0.538
  181   HG12  VAL  32          2HG1      VAL  32  16.639  16.761  -1.602
  182   HG13  VAL  32          3HG1      VAL  32  17.284  16.164  -0.072
  183   HG21  VAL  32          1HG2      VAL  32  20.191  16.742  -0.043
  184   HG22  VAL  32          2HG2      VAL  32  20.785  17.119  -1.660
  185   HG23  VAL  32          3HG2      VAL  32  19.677  18.224  -0.848
  186    H    THR  33           H        THR  33  18.377  14.827  -3.982
  187    HA   THR  33           HA       THR  33  15.688  14.163  -3.939
  188    HB   THR  33           HB       THR  33  17.227  12.971  -6.160
  189    HG1  THR  33           HG1      THR  33  18.382  14.688  -6.575
  190   HG21  THR  33          1HG2      THR  33  15.574  14.768  -7.269
  191   HG22  THR  33          2HG2      THR  33  14.758  14.545  -5.722
  192   HG23  THR  33          3HG2      THR  33  15.047  13.160  -6.774
  193    H    ARG  34           H        RSS  34  18.487  11.984  -4.229
  194    HB2  ARG  34          2HB       RSS  34  19.543   9.645  -4.724
  195    HB3  ARG  34          3HB       RSS  34  19.749  10.239  -3.082
  196    HG2  ARG  34          2HG       RSS  34  18.379   7.648  -3.328
  197    HG3  ARG  34          3HG       RSS  34  20.075   7.671  -3.813
  198    HD2  ARG  34          2HD       RSS  34  20.413   8.946  -1.567
  199    HD3  ARG  34          3HD       RSS  34  18.856   8.236  -1.144
  200    HE   ARG  34           HE       RSS  34  19.907   6.233  -0.861
  201   HH11  ARG  34          1HH2      RSS  34  21.651   4.762  -0.884
  202   HH12  ARG  34          2HH2      RSS  34  23.099   5.171  -1.741
  203   HH21  ARG  34          1HH1      RSS  34  21.927   8.285  -2.817
  204   HH22  ARG  34          2HH1      RSS  34  23.257   7.175  -2.840
  205    H    ASN  35           H        ASN  35  17.625  11.543  -1.640
  206    HA   ASN  35           HA       ASN  35  16.692   9.491   0.169
  207    HB2  ASN  35          2HB       ASN  35  17.297  12.426   0.582
  208    HB3  ASN  35          3HB       ASN  35  16.810  11.327   1.869
  209   HD21  ASN  35          1HD2      ASN  35  19.379  12.794   0.587
  210   HD22  ASN  35          2HD2      ASN  35  20.621  11.657   0.975
  211    H    ALA  36           H        ALA  36  15.438  12.485  -1.242
  212    HA   ALA  36           HA       ALA  36  13.048  12.724   0.114
  213    HB1  ALA  36          1HB       ALA  36  12.868  13.249  -2.772
  214    HB2  ALA  36          2HB       ALA  36  12.544  14.309  -1.400
  215    HB3  ALA  36          3HB       ALA  36  14.202  14.049  -1.941
  216    H    ASN  37           H        ASN  37  13.656  10.879  -2.872
  217    HA   ASN  37           HA       ASN  37  11.089   9.894  -3.264
  218    HB2  ASN  37          2HB       ASN  37  13.819   8.919  -4.012
  219    HB3  ASN  37          3HB       ASN  37  12.427   7.881  -4.304
  220   HD21  ASN  37          1HD2      ASN  37  11.830   7.995  -6.334
  221   HD22  ASN  37          2HD2      ASN  37  11.765   9.424  -7.302
  222    H    ALA  38           H        ALA  38  13.798   8.271  -1.605
  223    HA   ALA  38           HA       ALA  38  12.419   6.016  -0.750
  224    HB1  ALA  38          1HB       ALA  38  14.164   5.913   1.063
  225    HB2  ALA  38          2HB       ALA  38  14.783   6.035  -0.584
  226    HB3  ALA  38          3HB       ALA  38  14.767   7.457   0.460
  227    H    ASN  39           H        ASN  39  12.332   9.267   0.444
  228    HA   ASN  39           HA       ASN  39  11.301   8.691   3.033
  229    HB2  ASN  39          2HB       ASN  39  12.019  11.021   1.522
  230    HB3  ASN  39          3HB       ASN  39  10.418  11.257   2.217
  231   HD21  ASN  39          1HD2      ASN  39  13.453  11.989   2.749
  232   HD22  ASN  39          2HD2      ASN  39  13.526  11.926   4.474
  233    H    VAL  40           H        VAL  40   9.874   9.167  -0.125
  234    HA   VAL  40           HA       VAL  40   7.180   9.398   0.847
  235    HB   VAL  40           HB       VAL  40   8.145   8.788  -1.951
  236   HG11  VAL  40          1HG1      VAL  40   5.958   8.311  -2.208
  237   HG12  VAL  40          2HG1      VAL  40   5.488   9.177  -0.744
  238   HG13  VAL  40          3HG1      VAL  40   5.783  10.065  -2.240
  239   HG21  VAL  40          1HG2      VAL  40   9.071  10.872  -1.419
  240   HG22  VAL  40          2HG2      VAL  40   7.573  11.263  -2.263
  241   HG23  VAL  40          3HG2      VAL  40   7.648  11.372  -0.505
  242    H    ALA  41           H        ALA  41   9.251   6.820  -0.320
  243    HA   ALA  41           HA       ALA  41   7.113   4.886  -0.444
  244    HB1  ALA  41          1HB       ALA  41   8.891   4.600  -1.999
  245    HB2  ALA  41          2HB       ALA  41  10.101   4.633  -0.716
  246    HB3  ALA  41          3HB       ALA  41   8.989   3.271  -0.844
  247    H    LYS  42           H        KSS  42   9.973   5.378   1.622
  248    HB2  LYS  42          2HB       KSS  42  11.029   4.443   4.896
  249    HB3  LYS  42          3HB       KSS  42  11.555   4.902   3.282
  250    HG2  LYS  42          2HG       KSS  42  11.522   6.964   4.183
  251    HG3  LYS  42          3HG       KSS  42   9.814   6.879   3.747
  252    HD2  LYS  42          2HD       KSS  42   9.134   6.674   5.906
  253    HD3  LYS  42          3HD       KSS  42  10.576   5.776   6.388
  254    HE2  LYS  42          2HE       KSS  42  11.265   8.461   5.613
  255    HE3  LYS  42          3HE       KSS  42  10.010   8.481   6.850
  256    HZ1  LYS  42          1HZ       KSS  42  12.745   8.008   7.173
  257    HZ2  LYS  42          2HZ       KSS  42  11.935   6.577   7.568
  258    HZ3  LYS  42          3HZ       KSS  42  11.540   8.018   8.361
  259    H    THR  43           H        THR  43   7.917   6.326   3.203
  260    HA   THR  43           HA       THR  43   6.588   5.925   5.751
  261    HB   THR  43           HB       THR  43   6.140   8.048   3.644
  262    HG1  THR  43           HG1      THR  43   8.039   8.610   4.472
  263   HG21  THR  43          1HG2      THR  43   4.261   8.454   4.795
  264   HG22  THR  43          2HG2      THR  43   5.314   9.034   6.086
  265   HG23  THR  43          3HG2      THR  43   4.732   7.369   6.103
  266    H    ALA  44           H        ALA  44   5.869   5.668   2.318
  267    HA   ALA  44           HA       ALA  44   3.083   5.331   2.515
  268    HB1  ALA  44          1HB       ALA  44   3.272   4.275   0.276
  269    HB2  ALA  44          2HB       ALA  44   4.096   5.830   0.396
  270    HB3  ALA  44          3HB       ALA  44   5.027   4.333   0.439
  Start of MODEL   17
    1    H1   TRP   1           H        TRP   1   1.433   0.056   0.813
    2    HA   TRP   1           HA       TRP   1   3.152  -1.268  -0.589
    3    HB2  TRP   1          2HB       TRP   1   2.814  -1.139  -2.968
    4    HB3  TRP   1          3HB       TRP   1   1.363  -1.830  -2.247
    5    HD1  TRP   1           HD1      TRP   1  -0.838  -0.243  -2.176
    6    HE1  TRP   1           HE1      TRP   1  -1.531   1.735  -3.670
    7    HE3  TRP   1           HE3      TRP   1   3.699   0.811  -4.283
    8    HZ2  TRP   1           HZ2      TRP   1  -0.315   3.507  -5.500
    9    HZ3  TRP   1           HZ3      TRP   1   3.848   2.662  -5.896
   10    HH2  TRP   1           HH2      TRP   1   1.882   3.981  -6.492
   11    H    GLY   2           H        GLY   2   4.948  -0.092  -1.148
   12    HA2  GLY   2          2HA       GLY   2   4.605   2.827  -1.396
   13    HA3  GLY   2          3HA       GLY   2   5.772   2.159  -0.264
   14    H    CYS   3           H        CYS   3   5.080   2.895  -3.568
   15    HA   CYS   3           HA       CYS   3   7.878   2.319  -4.239
   16    HB2  CYS   3          2HB       CYS   3   5.635   0.890  -5.242
   17    HB3  CYS   3          3HB       CYS   3   6.268   1.873  -6.559
   18    H    VAL   4           H        VAL   4   8.777   4.182  -4.790
   19    HA   VAL   4           HA       VAL   4   7.169   6.124  -6.320
   20    HB   VAL   4           HB       VAL   4   7.745   6.899  -4.029
   21   HG11  VAL   4          1HG1      VAL   4  10.281   5.844  -4.699
   22   HG12  VAL   4          2HG1      VAL   4  10.476   7.582  -4.463
   23   HG13  VAL   4          3HG1      VAL   4   9.773   6.590  -3.184
   24   HG21  VAL   4          1HG2      VAL   4   7.528   8.374  -6.139
   25   HG22  VAL   4          2HG2      VAL   4   8.215   9.082  -4.677
   26   HG23  VAL   4          3HG2      VAL   4   9.274   8.568  -5.991
   27    H    CYS   5           H        CYS   5   8.216   7.307  -7.962
   28    HA   CYS   5           HA       CYS   5  10.893   6.399  -8.738
   29    HB2  CYS   5          2HB       CYS   5   8.559   6.527 -10.658
   30    HB3  CYS   5          3HB       CYS   5  10.209   6.047 -11.043
   31    H    SER   6           H        SER   6  12.059   7.860 -10.032
   32    HA   SER   6           HA       SER   6  11.107  10.615  -9.810
   33    HB2  SER   6          2HB       SER   6  13.339  10.113  -8.915
   34    HB3  SER   6          3HB       SER   6  13.853   9.539 -10.501
   35    HG   SER   6           HG       SER   6  13.037  12.176  -9.836
   36    H    GLY   7           H        GLY   7   9.636   9.523 -11.683
   37    HA2  GLY   7          2HA       GLY   7  10.370  10.950 -14.050
   38    HA3  GLY   7          3HA       GLY   7  10.524   9.213 -14.267
   39    H    SER   8           H        SER   8   8.731   7.995 -14.600
   40    HA   SER   8           HA       SER   8   6.167   9.447 -14.656
   41    HB2  SER   8          2HB       SER   8   7.424   8.269 -16.772
   42    HB3  SER   8          3HB       SER   8   6.374   6.961 -16.229
   43    HG   SER   8           HG       SER   8   5.675   9.539 -17.131
   44    H    THR   9           H        THR   9   4.248   7.849 -14.564
   45    HA   THR   9           HA       THR   9   4.453   6.449 -12.062
   46    HB   THR   9           HB       THR   9   2.030   6.205 -13.790
   47    HG1  THR   9           HG1      THR   9   2.983   8.589 -12.577
   48   HG21  THR   9          1HG2      THR   9   1.417   7.054 -11.192
   49   HG22  THR   9          2HG2      THR   9   2.736   5.897 -11.014
   50   HG23  THR   9          3HG2      THR   9   1.256   5.426 -11.850
   51    H    ALA  10           H        ALA  10   4.368   5.596 -15.444
   52    HA   ALA  10           HA       ALA  10   3.702   2.870 -15.180
   53    HB1  ALA  10          1HB       ALA  10   5.506   3.887 -17.342
   54    HB2  ALA  10          2HB       ALA  10   4.254   2.648 -17.425
   55    HB3  ALA  10          3HB       ALA  10   3.804   4.348 -17.294
   56    H    VAL  11           H        VAL  11   6.748   4.605 -14.947
   57    HA   VAL  11           HA       VAL  11   8.321   2.184 -14.813
   58    HB   VAL  11           HB       VAL  11   9.334   4.135 -15.824
   59   HG11  VAL  11          1HG1      VAL  11   8.187   5.918 -14.730
   60   HG12  VAL  11          2HG1      VAL  11   8.837   5.448 -13.158
   61   HG13  VAL  11          3HG1      VAL  11   9.908   6.108 -14.396
   62   HG21  VAL  11          1HG2      VAL  11  10.738   3.794 -13.195
   63   HG22  VAL  11          2HG2      VAL  11  10.664   2.486 -14.375
   64   HG23  VAL  11          3HG2      VAL  11  11.433   4.014 -14.801
   65    H    ALA  12           H        ALS  12   6.823   4.418 -12.605
   66    HB1  ALA  12          1HB       ALS  12   5.342   4.530 -10.460
   67    HB2  ALA  12          2HB       ALS  12   6.396   4.763  -9.064
   68    HB3  ALA  12          3HB       ALS  12   6.646   5.716 -10.527
   69    H    ASN  13           H        ASN  13   5.341   2.323 -11.545
   70    HA   ASN  13           HA       ASN  13   5.299   0.373  -9.428
   71    HB2  ASN  13          2HB       ASN  13   3.328  -0.473 -10.446
   72    HB3  ASN  13          3HB       ASN  13   3.259   1.275 -10.651
   73   HD21  ASN  13          1HD2      ASN  13   3.781   2.156 -12.714
   74   HD22  ASN  13          2HD2      ASN  13   3.578   1.208 -14.144
   75    H    SER  14           H        SER  14   6.609   0.610 -12.630
   76    HA   SER  14           HA       SER  14   6.855  -2.036 -13.382
   77    HB2  SER  14          2HB       SER  14   7.486  -0.193 -14.856
   78    HB3  SER  14          3HB       SER  14   8.842   0.211 -13.804
   79    HG   SER  14           HG       SER  14   9.912  -1.537 -14.476
   80    H    HIS  15           H        HIS  15   8.637  -0.248 -10.976
   81    HA   HIS  15           HA       HIS  15  10.481  -2.487 -10.575
   82    HB2  HIS  15          2HB       HIS  15  10.739   0.324 -10.344
   83    HB3  HIS  15          3HB       HIS  15  10.910  -0.339  -8.722
   84    HD1  HIS  15           HD1      HIS  15  12.637  -0.063 -11.981
   85    HD2  HIS  15           HD2      HIS  15  13.134  -2.089  -8.388
   86    HE1  HIS  15           HE1      HIS  15  14.996  -0.933 -12.020
   87    H    ASN  16           H        NSS  16   8.575  -0.316  -8.476
   88    HB2  ASN  16          2HB       NSS  16   6.386  -2.295  -8.242
   89    HB3  ASN  16          3HB       NSS  16   6.952  -3.491  -7.079
   90   HD21  ASN  16          1HD2      NSS  16   5.027  -0.580  -7.461
   91   HD22  ASN  16          2HD2      NSS  16   4.008  -0.852  -6.092
   92    H    ALA  17           H        ALA  17   7.297  -2.779  -4.769
   93    HA   ALA  17           HA       ALA  17   9.682  -4.286  -4.406
   94    HB1  ALA  17          1HB       ALA  17   9.780  -2.767  -2.052
   95    HB2  ALA  17          2HB       ALA  17  10.968  -2.814  -3.355
   96    HB3  ALA  17          3HB       ALA  17   9.683  -1.607  -3.378
   97    H    GLY  18           H        GLY  18   7.373  -2.641  -2.228
   98    HA2  GLY  18          2HA       GLY  18   5.601  -4.662  -1.756
   99    HA3  GLY  18          3HA       GLY  18   6.961  -5.050  -0.714
  100    HA   PRO  19           HA       PRO  19   3.983  -1.988   1.315
  101    HB2  PRO  19          2HB       PRO  19   3.078  -3.641   3.269
  102    HB3  PRO  19          3HB       PRO  19   2.295  -3.500   1.691
  103    HG2  PRO  19          2HG       PRO  19   4.204  -5.584   2.679
  104    HG3  PRO  19          3HG       PRO  19   2.719  -5.786   1.731
  105    HD2  PRO  19          2HD       PRO  19   5.183  -5.843   0.610
  106    HD3  PRO  19          3HD       PRO  19   3.758  -5.225  -0.249
  107    H    ALA  20           H        ALA  20   6.078  -4.486   2.720
  108    HA   ALA  20           HA       ALA  20   6.799  -2.676   4.902
  109    HB1  ALA  20          1HB       ALA  20   6.229  -4.926   5.562
  110    HB2  ALA  20          2HB       ALA  20   7.436  -5.590   4.461
  111    HB3  ALA  20          3HB       ALA  20   7.944  -4.643   5.860
  112    H    TYR  21           H        TYR  21   7.676  -2.386   2.046
  113    HA   TYR  21           HA       TYR  21  10.564  -2.274   2.593
  114    HB2  TYR  21          2HB       TYR  21   9.198  -3.253   0.088
  115    HB3  TYR  21          3HB       TYR  21  10.882  -2.743   0.108
  116    HD1  TYR  21           HD1      TYR  21  12.526  -4.315   0.545
  117    HD2  TYR  21           HD2      TYR  21   8.552  -5.074   1.862
  118    HE1  TYR  21           HE1      TYR  21  13.204  -6.564   1.276
  119    HE2  TYR  21           HE2      TYR  21   9.219  -7.324   2.597
  120    HH   TYR  21           HH       TYR  21  12.020  -8.287   3.264
  121    H    CYS  22           H        CYS  22  11.572  -0.420   2.019
  122    HA   CYS  22           HA       CYS  22   9.925   1.634   0.696
  123    HB2  CYS  22          2HB       CYS  22  12.067   1.927   2.808
  124    HB3  CYS  22          3HB       CYS  22  11.359   3.284   1.938
  125    H    VAL  23           H        VAL  23  10.564   2.013  -1.313
  126    HA   VAL  23           HA       VAL  23  13.452   1.950  -1.905
  127    HB   VAL  23           HB       VAL  23  11.223   1.222  -3.810
  128   HG11  VAL  23          1HG1      VAL  23  13.096   0.439  -5.242
  129   HG12  VAL  23          2HG1      VAL  23  13.090   2.185  -4.980
  130   HG13  VAL  23          3HG1      VAL  23  14.224   1.163  -4.096
  131   HG21  VAL  23          1HG2      VAL  23  12.095  -1.071  -3.635
  132   HG22  VAL  23          2HG2      VAL  23  13.211  -0.540  -2.377
  133   HG23  VAL  23          3HG2      VAL  23  11.471  -0.480  -2.095
  134    H    GLY  24           H        GLY  24  14.304   3.631  -3.041
  135    HA2  GLY  24          2HA       GLY  24  12.425   5.703  -3.986
  136    HA3  GLY  24          3HA       GLY  24  13.822   6.123  -3.006
  137    H    TYR  25           H        TYR  25  12.653   5.680  -6.136
  138    HA   TYR  25           HA       TYR  25  15.149   5.065  -7.411
  139    HB2  TYR  25          2HB       TYR  25  12.628   4.760  -8.220
  140    HB3  TYR  25          3HB       TYR  25  12.928   6.342  -8.930
  141    HD1  TYR  25           HD1      TYR  25  14.425   2.929  -8.731
  142    HD2  TYR  25           HD2      TYR  25  13.904   6.472 -11.029
  143    HE1  TYR  25           HE1      TYR  25  15.552   1.853 -10.634
  144    HE2  TYR  25           HE2      TYR  25  15.029   5.405 -12.939
  145    HH   TYR  25           HH       TYR  25  16.247   3.636 -13.605
  146    H    CYS  26           H        CYS  26  16.769   6.463  -7.501
  147    HA   CYS  26           HA       CYS  26  16.144   9.310  -7.944
  148    HB2  CYS  26          2HB       CYS  26  18.523   8.214  -6.431
  149    HB3  CYS  26          3HB       CYS  26  18.094   9.910  -6.634
  150    H    GLY  27           H        GLY  27  16.489   9.554 -10.083
  151    HA2  GLY  27          2HA       GLY  27  18.463   8.152 -11.561
  152    HA3  GLY  27          3HA       GLY  27  17.568   9.560 -12.112
  153    H    ASN  28           H        ASN  28  19.236  10.665 -13.043
  154    HA   ASN  28           HA       ASN  28  21.689  11.118 -11.563
  155    HB2  ASN  28          2HB       ASN  28  21.014  12.462 -14.161
  156    HB3  ASN  28          3HB       ASN  28  22.587  11.965 -13.547
  157   HD21  ASN  28          1HD2      ASN  28  21.086  11.409 -16.077
  158   HD22  ASN  28          2HD2      ASN  28  21.113   9.688 -16.229
  159    H    ASN  29           H        ASN  29  19.867  12.160 -10.001
  160    HA   ASN  29           HA       ASN  29  19.699  15.030 -10.604
  161    HB2  ASN  29          2HB       ASN  29  18.203  13.368  -8.564
  162    HB3  ASN  29          3HB       ASN  29  18.004  15.103  -8.792
  163   HD21  ASN  29          1HD2      ASN  29  16.450  12.415  -9.297
  164   HD22  ASN  29          2HD2      ASN  29  15.685  12.726 -10.815
  165    H    GLY  30           H        GLY  30  20.217  12.935  -7.754
  166    HA2  GLY  30          2HA       GLY  30  22.661  13.745  -6.929
  167    HA3  GLY  30          3HA       GLY  30  21.625  15.054  -6.381
  168    H    VAL  31           H        VAL  31  22.721  14.115  -4.334
  169    HA   VAL  31           HA       VAL  31  21.721  11.679  -3.265
  170    HB   VAL  31           HB       VAL  31  22.874  14.030  -1.759
  171   HG11  VAL  31          1HG1      VAL  31  22.078  12.749  -0.061
  172   HG12  VAL  31          2HG1      VAL  31  22.108  11.266  -1.018
  173   HG13  VAL  31          3HG1      VAL  31  23.602  11.903  -0.329
  174   HG21  VAL  31          1HG2      VAL  31  24.608  13.526  -3.172
  175   HG22  VAL  31          2HG2      VAL  31  24.933  12.394  -1.859
  176   HG23  VAL  31          3HG2      VAL  31  24.134  11.835  -3.329
  177    H    VAL  32           H        VAL  32  20.748  15.059  -2.983
  178    HA   VAL  32           HA       VAL  32  18.919  14.895  -0.914
  179    HB   VAL  32           HB       VAL  32  18.657  16.570  -3.415
  180   HG11  VAL  32          1HG1      VAL  32  16.727  17.251  -2.551
  181   HG12  VAL  32          2HG1      VAL  32  16.979  16.280  -1.099
  182   HG13  VAL  32          3HG1      VAL  32  17.627  17.919  -1.189
  183   HG21  VAL  32          1HG2      VAL  32  20.217  16.909  -0.885
  184   HG22  VAL  32          2HG2      VAL  32  20.721  17.179  -2.553
  185   HG23  VAL  32          3HG2      VAL  32  19.632  18.321  -1.765
  186    H    THR  33           H        THR  33  18.226  14.566  -4.398
  187    HA   THR  33           HA       THR  33  15.528  13.918  -4.169
  188    HB   THR  33           HB       THR  33  16.974  12.522  -6.330
  189    HG1  THR  33           HG1      THR  33  18.320  14.232  -6.395
  190   HG21  THR  33          1HG2      THR  33  14.415  13.493  -5.875
  191   HG22  THR  33          2HG2      THR  33  15.049  12.893  -7.407
  192   HG23  THR  33          3HG2      THR  33  15.097  14.618  -7.048
  193    H    ARG  34           H        RSS  34  18.363  11.781  -4.266
  194    HB2  ARG  34          2HB       RSS  34  19.482   9.433  -4.513
  195    HB3  ARG  34          3HB       RSS  34  19.658  10.195  -2.938
  196    HG2  ARG  34          2HG       RSS  34  18.352   7.562  -2.918
  197    HG3  ARG  34          3HG       RSS  34  20.046   7.570  -3.412
  198    HD2  ARG  34          2HD       RSS  34  20.538   8.913  -1.348
  199    HD3  ARG  34          3HD       RSS  34  18.875   8.615  -0.842
  200    HE   ARG  34           HE       RSS  34  20.014   6.148  -1.419
  201   HH11  ARG  34          1HH2      RSS  34  20.829   4.792   0.224
  202   HH12  ARG  34          2HH2      RSS  34  21.293   5.479   1.744
  203   HH21  ARG  34          1HH1      RSS  34  20.467   8.756   0.843
  204   HH22  ARG  34          2HH1      RSS  34  21.087   7.734   2.097
  205    H    ASN  35           H        ASN  35  17.498  11.578  -1.647
  206    HA   ASN  35           HA       ASN  35  16.592   9.696   0.350
  207    HB2  ASN  35          2HB       ASN  35  17.164  12.662   0.458
  208    HB3  ASN  35          3HB       ASN  35  16.638  11.718   1.849
  209   HD21  ASN  35          1HD2      ASN  35  19.241  13.055   0.544
  210   HD22  ASN  35          2HD2      ASN  35  20.470  11.960   1.070
  211    H    ALA  36           H        ALA  36  15.297  12.559  -1.295
  212    HA   ALA  36           HA       ALA  36  12.861  12.764   0.023
  213    HB1  ALA  36          1HB       ALA  36  12.295  14.287  -1.560
  214    HB2  ALA  36          2HB       ALA  36  14.021  14.187  -1.907
  215    HB3  ALA  36          3HB       ALA  36  12.870  13.284  -2.892
  216    H    ASN  37           H        ASN  37  13.775  10.736  -2.726
  217    HA   ASN  37           HA       ASN  37  11.201   9.744  -3.299
  218    HB2  ASN  37          2HB       ASN  37  13.976   8.714  -3.849
  219    HB3  ASN  37          3HB       ASN  37  12.547   7.803  -4.329
  220   HD21  ASN  37          1HD2      ASN  37  11.474   8.372  -6.124
  221   HD22  ASN  37          2HD2      ASN  37  11.881   9.720  -7.124
  222    H    ALA  38           H        ALA  38  13.887   8.173  -1.551
  223    HA   ALA  38           HA       ALA  38  12.488   5.929  -0.688
  224    HB1  ALA  38          1HB       ALA  38  14.881   7.371   0.393
  225    HB2  ALA  38          2HB       ALA  38  14.219   5.959   1.217
  226    HB3  ALA  38          3HB       ALA  38  14.800   5.820  -0.443
  227    H    ASN  39           H        ASN  39  12.396   9.193   0.462
  228    HA   ASN  39           HA       ASN  39  11.345   8.655   3.050
  229    HB2  ASN  39          2HB       ASN  39  11.604  11.076   1.316
  230    HB3  ASN  39          3HB       ASN  39  10.523  11.145   2.704
  231   HD21  ASN  39          1HD2      ASN  39  12.825  12.717   2.388
  232   HD22  ASN  39          2HD2      ASN  39  13.945  12.289   3.633
  233    H    VAL  40           H        VAL  40   9.943   9.080  -0.125
  234    HA   VAL  40           HA       VAL  40   7.242   9.328   0.822
  235    HB   VAL  40           HB       VAL  40   8.162   8.618  -1.965
  236   HG11  VAL  40          1HG1      VAL  40   5.577   9.620  -0.809
  237   HG12  VAL  40          2HG1      VAL  40   5.971   9.800  -2.520
  238   HG13  VAL  40          3HG1      VAL  40   5.859   8.192  -1.805
  239   HG21  VAL  40          1HG2      VAL  40   7.416  11.311  -1.870
  240   HG22  VAL  40          2HG2      VAL  40   8.471  11.064  -0.479
  241   HG23  VAL  40          3HG2      VAL  40   9.038  10.658  -2.098
  242    H    ALA  41           H        ALA  41   9.349   6.728  -0.164
  243    HA   ALA  41           HA       ALA  41   7.206   4.789  -0.320
  244    HB1  ALA  41          1HB       ALA  41   8.892   3.199  -0.901
  245    HB2  ALA  41          2HB       ALA  41   9.231   4.693  -1.776
  246    HB3  ALA  41          3HB       ALA  41  10.174   4.275  -0.345
  247    H    LYS  42           H        KSS  42  10.044   5.313   1.772
  248    HB2  LYS  42          2HB       KSS  42  11.057   4.435   5.075
  249    HB3  LYS  42          3HB       KSS  42  11.605   4.841   3.454
  250    HG2  LYS  42          2HG       KSS  42  10.370   6.966   3.596
  251    HG3  LYS  42          3HG       KSS  42   9.905   6.560   5.250
  252    HD2  LYS  42          2HD       KSS  42  12.778   6.680   4.365
  253    HD3  LYS  42          3HD       KSS  42  11.913   8.098   4.963
  254    HE2  LYS  42          2HE       KSS  42  11.320   6.348   6.912
  255    HE3  LYS  42          3HE       KSS  42  12.884   5.708   6.407
  256    HZ1  LYS  42          1HZ       KSS  42  12.493   8.575   7.024
  257    HZ2  LYS  42          2HZ       KSS  42  13.944   7.711   6.928
  258    HZ3  LYS  42          3HZ       KSS  42  12.888   7.449   8.223
  259    H    THR  43           H        THR  43   7.973   6.314   3.279
  260    HA   THR  43           HA       THR  43   6.595   5.965   5.823
  261    HB   THR  43           HB       THR  43   6.272   8.147   3.753
  262    HG1  THR  43           HG1      THR  43   8.367   7.929   4.929
  263   HG21  THR  43          1HG2      THR  43   5.211   9.384   5.622
  264   HG22  THR  43          2HG2      THR  43   5.293   7.919   6.601
  265   HG23  THR  43          3HG2      THR  43   4.301   7.952   5.143
  266    H    ALA  44           H        ALA  44   6.087   5.465   2.435
  267    HA   ALA  44           HA       ALA  44   3.300   5.501   2.293
  268    HB1  ALA  44          1HB       ALA  44   3.672   3.816   0.399
  269    HB2  ALA  44          2HB       ALA  44   4.427   5.404   0.250
  270    HB3  ALA  44          3HB       ALA  44   5.392   4.012   0.743
  Start of MODEL   18
    1    H1   TRP   1           H        TRP   1   0.697  -0.972   0.243
    2    HA   TRP   1           HA       TRP   1   3.111  -0.853  -0.238
    3    HB2  TRP   1          2HB       TRP   1   3.004  -0.883  -2.709
    4    HB3  TRP   1          3HB       TRP   1   1.731  -1.855  -1.975
    5    HD1  TRP   1           HD1      TRP   1  -0.780  -0.673  -1.940
    6    HE1  TRP   1           HE1      TRP   1  -1.862   0.879  -3.685
    7    HE3  TRP   1           HE3      TRP   1   3.437   0.857  -4.391
    8    HZ2  TRP   1           HZ2      TRP   1  -1.037   2.533  -5.819
    9    HZ3  TRP   1           HZ3      TRP   1   3.204   2.425  -6.274
   10    HH2  TRP   1           HH2      TRP   1   1.012   3.244  -6.971
   11    H    GLY   2           H        GLY   2   4.801   0.344  -1.374
   12    HA2  GLY   2          2HA       GLY   2   4.280   3.185  -1.810
   13    HA3  GLY   2          3HA       GLY   2   5.415   2.773  -0.533
   14    H    CYS   3           H        CYS   3   4.986   3.267  -3.869
   15    HA   CYS   3           HA       CYS   3   7.820   2.678  -4.316
   16    HB2  CYS   3          2HB       CYS   3   5.591   1.241  -5.484
   17    HB3  CYS   3          3HB       CYS   3   6.573   2.007  -6.729
   18    H    VAL   4           H        VAL   4   8.728   4.506  -4.961
   19    HA   VAL   4           HA       VAL   4   7.151   6.357  -6.627
   20    HB   VAL   4           HB       VAL   4   7.790   7.284  -4.431
   21   HG11  VAL   4          1HG1      VAL   4   9.826   6.101  -3.993
   22   HG12  VAL   4          2HG1      VAL   4  10.597   6.800  -5.418
   23   HG13  VAL   4          3HG1      VAL   4  10.191   7.825  -4.041
   24   HG21  VAL   4          1HG2      VAL   4   7.538   8.724  -6.432
   25   HG22  VAL   4          2HG2      VAL   4   8.662   9.380  -5.242
   26   HG23  VAL   4          3HG2      VAL   4   9.277   8.602  -6.700
   27    H    CYS   5           H        CYS   5   8.140   7.356  -8.399
   28    HA   CYS   5           HA       CYS   5  10.794   6.388  -9.174
   29    HB2  CYS   5          2HB       CYS   5   8.438   6.351 -11.067
   30    HB3  CYS   5          3HB       CYS   5  10.068   5.765 -11.384
   31    H    SER   6           H        SER   6  11.904   7.725 -10.643
   32    HA   SER   6           HA       SER   6  10.998  10.493 -10.588
   33    HB2  SER   6          2HB       SER   6  13.296  10.058  -9.901
   34    HB3  SER   6          3HB       SER   6  13.635   9.275 -11.444
   35    HG   SER   6           HG       SER   6  13.763  11.871 -10.829
   36    H    GLY   7           H        GLY   7   9.295   9.381 -12.195
   37    HA2  GLY   7          2HA       GLY   7   9.792  10.588 -14.728
   38    HA3  GLY   7          3HA       GLY   7   9.899   8.837 -14.836
   39    H    SER   8           H        SER   8   8.055   7.608 -14.749
   40    HA   SER   8           HA       SER   8   5.519   9.105 -14.620
   41    HB2  SER   8          2HB       SER   8   6.573   7.646 -16.785
   42    HB3  SER   8          3HB       SER   8   5.279   6.650 -16.119
   43    HG   SER   8           HG       SER   8   4.702   8.307 -17.753
   44    H    THR   9           H        THR   9   3.625   7.431 -14.346
   45    HA   THR   9           HA       THR   9   4.083   6.154 -11.810
   46    HB   THR   9           HB       THR   9   1.593   5.399 -12.298
   47    HG1  THR   9           HG1      THR   9   1.628   7.754 -13.844
   48   HG21  THR   9          1HG2      THR   9   1.243   6.915 -10.705
   49   HG22  THR   9          2HG2      THR   9   1.393   8.217 -11.885
   50   HG23  THR   9          3HG2      THR   9   2.824   7.618 -11.045
   51    H    ALA  10           H        ALA  10   3.469   5.112 -15.123
   52    HA   ALA  10           HA       ALA  10   3.001   2.406 -14.697
   53    HB1  ALA  10          1HB       ALA  10   2.830   3.705 -16.867
   54    HB2  ALA  10          2HB       ALA  10   4.569   3.464 -17.032
   55    HB3  ALA  10          3HB       ALA  10   3.488   2.073 -16.978
   56    H    VAL  11           H        VAL  11   6.038   4.182 -14.849
   57    HA   VAL  11           HA       VAL  11   7.644   1.786 -14.701
   58    HB   VAL  11           HB       VAL  11   8.505   3.714 -15.919
   59   HG11  VAL  11          1HG1      VAL  11   9.215   5.740 -14.697
   60   HG12  VAL  11          2HG1      VAL  11   7.466   5.504 -14.671
   61   HG13  VAL  11          3HG1      VAL  11   8.431   5.112 -13.248
   62   HG21  VAL  11          1HG2      VAL  11  10.673   3.424 -15.281
   63   HG22  VAL  11          2HG2      VAL  11  10.312   3.614 -13.565
   64   HG23  VAL  11          3HG2      VAL  11   9.939   2.096 -14.382
   65    H    ALA  12           H        ALS  12   6.369   4.184 -12.511
   66    HB1  ALA  12          1HB       ALS  12   6.431   5.622 -10.515
   67    HB2  ALA  12          2HB       ALS  12   5.109   4.485 -10.252
   68    HB3  ALA  12          3HB       ALS  12   6.293   4.770  -8.977
   69    H    ASN  13           H        ASN  13   4.934   2.227 -11.160
   70    HA   ASN  13           HA       ASN  13   5.044   0.418  -8.930
   71    HB2  ASN  13          2HB       ASN  13   2.948  -0.350  -9.624
   72    HB3  ASN  13          3HB       ASN  13   2.946   1.330 -10.151
   73   HD21  ASN  13          1HD2      ASN  13   3.367   1.774 -12.381
   74   HD22  ASN  13          2HD2      ASN  13   2.988   0.593 -13.584
   75    H    SER  14           H        SER  14   6.070   0.398 -12.242
   76    HA   SER  14           HA       SER  14   6.189  -2.303 -12.819
   77    HB2  SER  14          2HB       SER  14   6.714  -0.658 -14.509
   78    HB3  SER  14          3HB       SER  14   8.111  -0.096 -13.591
   79    HG   SER  14           HG       SER  14   8.204  -1.844 -15.438
   80    H    HIS  15           H        HIS  15   8.196  -0.404 -10.699
   81    HA   HIS  15           HA       HIS  15  10.054  -2.634 -10.326
   82    HB2  HIS  15          2HB       HIS  15  10.255   0.233 -10.127
   83    HB3  HIS  15          3HB       HIS  15  10.754  -0.511  -8.611
   84    HD1  HIS  15           HD1      HIS  15  13.064  -1.441  -8.535
   85    HD2  HIS  15           HD2      HIS  15  11.765  -0.771 -12.424
   86    HE1  HIS  15           HE1      HIS  15  15.065  -1.873  -9.996
   87    H    ASN  16           H        NSS  16   8.324  -0.348  -8.197
   88    HB2  ASN  16          2HB       NSS  16   6.161  -2.303  -7.686
   89    HB3  ASN  16          3HB       NSS  16   6.818  -3.439  -6.511
   90   HD21  ASN  16          1HD2      NSS  16   4.570  -0.905  -7.090
   91   HD22  ASN  16          2HD2      NSS  16   3.779  -0.961  -5.555
   92    H    ALA  17           H        ALA  17   7.346  -2.610  -4.277
   93    HA   ALA  17           HA       ALA  17   9.847  -4.005  -4.041
   94    HB1  ALA  17          1HB       ALA  17   9.911  -1.396  -3.198
   95    HB2  ALA  17          2HB       ALA  17   9.571  -2.277  -1.708
   96    HB3  ALA  17          3HB       ALA  17  10.999  -2.676  -2.662
   97    H    GLY  18           H        GLY  18   7.387  -2.633  -1.838
   98    HA2  GLY  18          2HA       GLY  18   5.758  -4.702  -1.357
   99    HA3  GLY  18          3HA       GLY  18   7.191  -5.185  -0.462
  100    HA   PRO  19           HA       PRO  19   4.380  -2.447   2.142
  101    HB2  PRO  19          2HB       PRO  19   3.826  -4.297   4.050
  102    HB3  PRO  19          3HB       PRO  19   2.845  -4.096   2.594
  103    HG2  PRO  19          2HG       PRO  19   4.984  -6.109   3.175
  104    HG3  PRO  19          3HG       PRO  19   3.408  -6.344   2.397
  105    HD2  PRO  19          2HD       PRO  19   5.712  -6.147   0.989
  106    HD3  PRO  19          3HD       PRO  19   4.156  -5.568   0.360
  107    H    ALA  20           H        ALA  20   6.895  -4.793   2.931
  108    HA   ALA  20           HA       ALA  20   7.753  -3.104   5.179
  109    HB1  ALA  20          1HB       ALA  20   8.577  -5.932   4.531
  110    HB2  ALA  20          2HB       ALA  20   8.995  -5.019   5.981
  111    HB3  ALA  20          3HB       ALA  20   7.319  -5.477   5.680
  112    H    TYR  21           H        TYR  21   8.245  -2.649   2.252
  113    HA   TYR  21           HA       TYR  21  11.155  -2.340   2.462
  114    HB2  TYR  21          2HB       TYR  21   9.665  -3.445   0.076
  115    HB3  TYR  21          3HB       TYR  21  11.342  -2.914   0.027
  116    HD1  TYR  21           HD1      TYR  21   9.043  -5.375   1.576
  117    HD2  TYR  21           HD2      TYR  21  13.084  -4.333   0.747
  118    HE1  TYR  21           HE1      TYR  21   9.764  -7.608   2.313
  119    HE2  TYR  21           HE2      TYR  21  13.816  -6.564   1.480
  120    HH   TYR  21           HH       TYR  21  13.003  -8.383   2.931
  121    H    CYS  22           H        CYS  22  12.030  -0.642   1.141
  122    HA   CYS  22           HA       CYS  22  10.062   1.262   0.084
  123    HB2  CYS  22          2HB       CYS  22  12.220   1.840   2.111
  124    HB3  CYS  22          3HB       CYS  22  11.486   3.104   1.130
  125    H    VAL  23           H        VAL  23  10.658   2.250  -1.766
  126    HA   VAL  23           HA       VAL  23  13.466   2.079  -2.610
  127    HB   VAL  23           HB       VAL  23  11.110   1.350  -4.356
  128   HG11  VAL  23          1HG1      VAL  23  12.470   2.099  -5.979
  129   HG12  VAL  23          2HG1      VAL  23  13.895   2.070  -4.938
  130   HG13  VAL  23          3HG1      VAL  23  13.336   0.587  -5.711
  131   HG21  VAL  23          1HG2      VAL  23  11.869  -0.332  -2.614
  132   HG22  VAL  23          2HG2      VAL  23  11.861  -0.886  -4.288
  133   HG23  VAL  23          3HG2      VAL  23  13.381  -0.434  -3.516
  134    H    GLY  24           H        GLY  24  14.231   3.897  -3.519
  135    HA2  GLY  24          2HA       GLY  24  12.278   5.905  -4.446
  136    HA3  GLY  24          3HA       GLY  24  13.588   6.355  -3.363
  137    H    TYR  25           H        TYR  25  12.638   5.900  -6.593
  138    HA   TYR  25           HA       TYR  25  14.989   5.336  -7.927
  139    HB2  TYR  25          2HB       TYR  25  12.638   5.660  -8.885
  140    HB3  TYR  25          3HB       TYR  25  13.007   7.381  -8.919
  141    HD1  TYR  25           HD1      TYR  25  13.020   4.455 -10.811
  142    HD2  TYR  25           HD2      TYR  25  15.356   7.935 -10.079
  143    HE1  TYR  25           HE1      TYR  25  14.119   4.169 -12.993
  144    HE2  TYR  25           HE2      TYR  25  16.460   7.659 -12.260
  145    HH   TYR  25           HH       TYR  25  15.308   5.617 -14.659
  146    H    CYS  26           H        CYS  26  16.903   6.259  -7.625
  147    HA   CYS  26           HA       CYS  26  17.065   9.190  -7.690
  148    HB2  CYS  26          2HB       CYS  26  18.457   7.363  -5.726
  149    HB3  CYS  26          3HB       CYS  26  18.900   9.048  -5.975
  150    H    GLY  27           H        GLY  27  17.886   9.322  -9.733
  151    HA2  GLY  27          2HA       GLY  27  20.036   7.594 -10.598
  152    HA3  GLY  27          3HA       GLY  27  19.304   8.896 -11.523
  153    H    ASN  28           H        ASN  28  20.598  10.548 -11.935
  154    HA   ASN  28           HA       ASN  28  22.844  11.053 -10.096
  155    HB2  ASN  28          2HB       ASN  28  23.941  12.125 -12.097
  156    HB3  ASN  28          3HB       ASN  28  23.698  10.386 -12.230
  157   HD21  ASN  28          1HD2      ASN  28  22.863   9.692 -14.054
  158   HD22  ASN  28          2HD2      ASN  28  21.920  10.624 -15.163
  159    H    ASN  29           H        ASN  29  20.439  12.141  -9.403
  160    HA   ASN  29           HA       ASN  29  20.449  14.907 -10.354
  161    HB2  ASN  29          2HB       ASN  29  18.506  13.678  -8.399
  162    HB3  ASN  29          3HB       ASN  29  18.292  15.131  -9.371
  163   HD21  ASN  29          1HD2      ASN  29  17.327  12.063  -9.084
  164   HD22  ASN  29          2HD2      ASN  29  16.944  11.697 -10.728
  165    H    GLY  30           H        GLY  30  21.058  12.980  -7.489
  166    HA2  GLY  30          2HA       GLY  30  22.900  14.296  -6.182
  167    HA3  GLY  30          3HA       GLY  30  21.561  15.401  -5.912
  168    H    VAL  31           H        VAL  31  23.082  13.943  -3.932
  169    HA   VAL  31           HA       VAL  31  21.892  11.655  -2.947
  170    HB   VAL  31           HB       VAL  31  22.981  13.939  -1.295
  171   HG11  VAL  31          1HG1      VAL  31  22.203  11.130  -0.677
  172   HG12  VAL  31          2HG1      VAL  31  23.574  11.844   0.175
  173   HG13  VAL  31          3HG1      VAL  31  21.982  12.598   0.275
  174   HG21  VAL  31          1HG2      VAL  31  24.779  13.429  -2.625
  175   HG22  VAL  31          2HG2      VAL  31  25.010  12.267  -1.319
  176   HG23  VAL  31          3HG2      VAL  31  24.284  11.750  -2.840
  177    H    VAL  32           H        VAL  32  20.925  15.025  -2.484
  178    HA   VAL  32           HA       VAL  32  18.978  14.739  -0.548
  179    HB   VAL  32           HB       VAL  32  18.851  16.572  -2.948
  180   HG11  VAL  32          1HG1      VAL  32  17.284  16.377  -0.425
  181   HG12  VAL  32          2HG1      VAL  32  17.628  17.976  -1.086
  182   HG13  VAL  32          3HG1      VAL  32  16.754  16.789  -2.055
  183   HG21  VAL  32          1HG2      VAL  32  20.418  16.624  -0.440
  184   HG22  VAL  32          2HG2      VAL  32  20.800  17.284  -2.030
  185   HG23  VAL  32          3HG2      VAL  32  19.697  18.147  -0.958
  186    H    THR  33           H        THR  33  18.548  14.519  -4.078
  187    HA   THR  33           HA       THR  33  15.826  13.970  -4.116
  188    HB   THR  33           HB       THR  33  17.438  12.496  -6.106
  189    HG1  THR  33           HG1      THR  33  18.813  14.134  -6.213
  190   HG21  THR  33          1HG2      THR  33  14.873  13.367  -5.967
  191   HG22  THR  33          2HG2      THR  33  15.717  13.013  -7.475
  192   HG23  THR  33          3HG2      THR  33  15.616  14.673  -6.889
  193    H    ARG  34           H        RSS  34  18.557  11.699  -3.959
  194    HB2  ARG  34          2HB       RSS  34  19.571   9.295  -4.107
  195    HB3  ARG  34          3HB       RSS  34  19.665  10.062  -2.528
  196    HG2  ARG  34          2HG       RSS  34  18.185   7.585  -2.408
  197    HG3  ARG  34          3HG       RSS  34  19.800   7.350  -3.078
  198    HD2  ARG  34          2HD       RSS  34  20.795   8.420  -1.152
  199    HD3  ARG  34          3HD       RSS  34  19.199   8.798  -0.503
  200    HE   ARG  34           HE       RSS  34  19.474   6.010  -0.909
  201   HH11  ARG  34          1HH2      RSS  34  19.742   4.641   0.896
  202   HH12  ARG  34          2HH2      RSS  34  20.266   5.312   2.403
  203   HH21  ARG  34          1HH1      RSS  34  20.478   8.589   1.202
  204   HH22  ARG  34          2HH1      RSS  34  20.684   7.558   2.579
  205    H    ASN  35           H        ASN  35  17.488  11.563  -1.412
  206    HA   ASN  35           HA       ASN  35  16.336   9.747   0.519
  207    HB2  ASN  35          2HB       ASN  35  17.040  12.685   0.662
  208    HB3  ASN  35          3HB       ASN  35  16.380  11.768   2.013
  209   HD21  ASN  35          1HD2      ASN  35  19.148  12.874   0.647
  210   HD22  ASN  35          2HD2      ASN  35  20.279  11.772   1.347
  211    H    ALA  36           H        ALA  36  15.317  12.626  -1.276
  212    HA   ALA  36           HA       ALA  36  12.810  13.002  -0.141
  213    HB1  ALA  36          1HB       ALA  36  13.191  13.414  -3.072
  214    HB2  ALA  36          2HB       ALA  36  12.358  14.427  -1.892
  215    HB3  ALA  36          3HB       ALA  36  14.120  14.381  -1.927
  216    H    ASN  37           H        ASN  37  13.738  10.950  -2.889
  217    HA   ASN  37           HA       ASN  37  11.121  10.020  -3.438
  218    HB2  ASN  37          2HB       ASN  37  13.876   9.063  -4.165
  219    HB3  ASN  37          3HB       ASN  37  12.456   8.109  -4.584
  220   HD21  ASN  37          1HD2      ASN  37  12.245   8.352  -6.702
  221   HD22  ASN  37          2HD2      ASN  37  12.160   9.864  -7.534
  222    H    ALA  38           H        ALA  38  13.866   8.403  -1.833
  223    HA   ALA  38           HA       ALA  38  12.532   6.094  -1.049
  224    HB1  ALA  38          1HB       ALA  38  14.284   5.968   0.758
  225    HB2  ALA  38          2HB       ALA  38  14.895   6.151  -0.887
  226    HB3  ALA  38          3HB       ALA  38  14.857   7.539   0.199
  227    H    ASN  39           H        ASN  39  12.385   9.301   0.252
  228    HA   ASN  39           HA       ASN  39  11.364   8.612   2.819
  229    HB2  ASN  39          2HB       ASN  39  12.359  10.759   2.612
  230    HB3  ASN  39          3HB       ASN  39  11.363  11.168   1.218
  231   HD21  ASN  39          1HD2      ASN  39  10.213  12.858   1.868
  232   HD22  ASN  39          2HD2      ASN  39   9.223  12.910   3.283
  233    H    VAL  40           H        VAL  40   9.928   9.249  -0.313
  234    HA   VAL  40           HA       VAL  40   7.233   9.370   0.677
  235    HB   VAL  40           HB       VAL  40   8.158   8.931  -2.165
  236   HG11  VAL  40          1HG1      VAL  40   5.879   8.396  -2.062
  237   HG12  VAL  40          2HG1      VAL  40   5.533   9.703  -0.927
  238   HG13  VAL  40          3HG1      VAL  40   5.915  10.072  -2.609
  239   HG21  VAL  40          1HG2      VAL  40   8.976  11.001  -2.072
  240   HG22  VAL  40          2HG2      VAL  40   7.316  11.565  -1.884
  241   HG23  VAL  40          3HG2      VAL  40   8.311  11.264  -0.460
  242    H    ALA  41           H        ALA  41   9.376   6.900  -0.535
  243    HA   ALA  41           HA       ALA  41   7.268   4.943  -0.848
  244    HB1  ALA  41          1HB       ALA  41   8.957   3.450  -1.590
  245    HB2  ALA  41          2HB       ALA  41   9.329   5.028  -2.285
  246    HB3  ALA  41          3HB       ALA  41  10.235   4.443  -0.889
  247    H    LYS  42           H        KSS  42  10.096   5.338   1.284
  248    HB2  LYS  42          2HB       KSS  42  11.121   4.213   4.507
  249    HB3  LYS  42          3HB       KSS  42  11.662   4.763   2.927
  250    HG2  LYS  42          2HG       KSS  42  10.354   6.839   3.250
  251    HG3  LYS  42          3HG       KSS  42   9.951   6.289   4.878
  252    HD2  LYS  42          2HD       KSS  42  12.514   6.070   5.176
  253    HD3  LYS  42          3HD       KSS  42  12.604   7.127   3.765
  254    HE2  LYS  42          2HE       KSS  42  12.174   8.907   5.023
  255    HE3  LYS  42          3HE       KSS  42  10.691   8.168   5.624
  256    HZ1  LYS  42          1HZ       KSS  42  12.527   6.856   7.043
  257    HZ2  LYS  42          2HZ       KSS  42  11.770   8.272   7.575
  258    HZ3  LYS  42          3HZ       KSS  42  13.304   8.349   6.866
  259    H    THR  43           H        THR  43   8.030   6.199   2.894
  260    HA   THR  43           HA       THR  43   6.677   5.664   5.404
  261    HB   THR  43           HB       THR  43   5.434   7.773   4.900
  262    HG1  THR  43           HG1      THR  43   6.627   8.976   3.089
  263   HG21  THR  43          1HG2      THR  43   8.281   7.473   5.380
  264   HG22  THR  43          2HG2      THR  43   7.118   8.555   6.146
  265   HG23  THR  43          3HG2      THR  43   7.897   9.024   4.635
  266    H    ALA  44           H        ALA  44   5.956   5.644   1.953
  267    HA   ALA  44           HA       ALA  44   3.167   5.076   2.312
  268    HB1  ALA  44          1HB       ALA  44   4.921   4.881  -0.133
  269    HB2  ALA  44          2HB       ALA  44   3.165   4.711  -0.127
  270    HB3  ALA  44          3HB       ALA  44   3.904   6.246   0.329
  Start of MODEL   19
    1    H1   TRP   1           H        TRP   1   1.658  -1.573  -0.496
    2    HA   TRP   1           HA       TRP   1   2.170  -0.433  -2.422
    3    HB2  TRP   1          2HB       TRP   1  -0.225  -0.011  -2.171
    4    HB3  TRP   1          3HB       TRP   1   0.112   1.403  -1.177
    5    HD1  TRP   1           HD1      TRP   1   0.174   3.637  -2.429
    6    HE1  TRP   1           HE1      TRP   1   0.366   4.362  -4.891
    7    HE3  TRP   1           HE3      TRP   1   0.972  -0.940  -4.562
    8    HZ2  TRP   1           HZ2      TRP   1   0.797   3.153  -7.405
    9    HZ3  TRP   1           HZ3      TRP   1   1.264  -1.069  -7.002
   10    HH2  TRP   1           HH2      TRP   1   1.178   0.936  -8.392
   11    H    GLY   2           H        GLY   2   4.365   0.051  -1.682
   12    HA2  GLY   2          2HA       GLY   2   4.735   2.963  -1.383
   13    HA3  GLY   2          3HA       GLY   2   5.644   1.836  -0.386
   14    H    CYS   3           H        CYS   3   5.212   3.130  -3.603
   15    HA   CYS   3           HA       CYS   3   7.962   2.451  -4.232
   16    HB2  CYS   3          2HB       CYS   3   5.786   0.897  -5.237
   17    HB3  CYS   3          3HB       CYS   3   6.488   1.799  -6.577
   18    H    VAL   4           H        VAL   4   8.836   4.262  -4.961
   19    HA   VAL   4           HA       VAL   4   7.171   6.080  -6.580
   20    HB   VAL   4           HB       VAL   4   7.728   7.029  -4.368
   21   HG11  VAL   4          1HG1      VAL   4  10.096   7.701  -3.955
   22   HG12  VAL   4          2HG1      VAL   4   9.818   5.959  -3.901
   23   HG13  VAL   4          3HG1      VAL   4  10.567   6.691  -5.321
   24   HG21  VAL   4          1HG2      VAL   4   8.455   9.170  -5.156
   25   HG22  VAL   4          2HG2      VAL   4   9.196   8.449  -6.585
   26   HG23  VAL   4          3HG2      VAL   4   7.442   8.443  -6.404
   27    H    CYS   5           H        CYS   5   8.138   7.122  -8.337
   28    HA   CYS   5           HA       CYS   5  10.849   6.279  -9.065
   29    HB2  CYS   5          2HB       CYS   5   8.541   6.167 -11.012
   30    HB3  CYS   5          3HB       CYS   5  10.195   5.628 -11.283
   31    H    SER   6           H        SER   6  11.957   7.698 -10.423
   32    HA   SER   6           HA       SER   6  10.929  10.415 -10.390
   33    HB2  SER   6          2HB       SER   6  13.233  10.052  -9.671
   34    HB3  SER   6          3HB       SER   6  13.625   9.317 -11.226
   35    HG   SER   6           HG       SER   6  12.934  12.011 -10.692
   36    H    GLY   7           H        GLY   7   9.250   9.484 -12.011
   37    HA2  GLY   7          2HA       GLY   7   9.784  10.651 -14.532
   38    HA3  GLY   7          3HA       GLY   7   9.904   8.902 -14.657
   39    H    SER   8           H        SER   8   8.027   7.626 -14.092
   40    HA   SER   8           HA       SER   8   5.491   9.090 -14.055
   41    HB2  SER   8          2HB       SER   8   6.469   8.013 -16.403
   42    HB3  SER   8          3HB       SER   8   5.401   6.743 -15.805
   43    HG   SER   8           HG       SER   8   3.956   7.971 -16.757
   44    H    THR   9           H        THR   9   3.639   7.321 -13.944
   45    HA   THR   9           HA       THR   9   4.157   5.845 -11.531
   46    HB   THR   9           HB       THR   9   1.619   5.177 -12.721
   47    HG1  THR   9           HG1      THR   9   1.103   7.027 -13.590
   48   HG21  THR   9          1HG2      THR   9   0.750   6.080 -10.662
   49   HG22  THR   9          2HG2      THR   9   2.262   6.934 -10.351
   50   HG23  THR   9          3HG2      THR   9   2.219   5.172 -10.304
   51    H    ALA  10           H        ALA  10   3.509   5.065 -14.914
   52    HA   ALA  10           HA       ALA  10   3.141   2.332 -14.747
   53    HB1  ALA  10          1HB       ALA  10   2.930   3.747 -16.799
   54    HB2  ALA  10          2HB       ALA  10   4.689   3.706 -16.935
   55    HB3  ALA  10          3HB       ALA  10   3.760   2.211 -17.046
   56    H    VAL  11           H        VAL  11   6.158   4.168 -14.772
   57    HA   VAL  11           HA       VAL  11   7.782   1.774 -14.722
   58    HB   VAL  11           HB       VAL  11   8.655   3.702 -15.895
   59   HG11  VAL  11          1HG1      VAL  11   9.335   5.732 -14.593
   60   HG12  VAL  11          2HG1      VAL  11   7.592   5.509 -14.757
   61   HG13  VAL  11          3HG1      VAL  11   8.396   5.102 -13.240
   62   HG21  VAL  11          1HG2      VAL  11  10.494   3.804 -13.622
   63   HG22  VAL  11          2HG2      VAL  11  10.051   2.170 -14.114
   64   HG23  VAL  11          3HG2      VAL  11  10.771   3.278 -15.282
   65    H    ALA  12           H        ALS  12   6.476   4.071 -12.455
   66    HB1  ALA  12          1HB       ALS  12   5.242   4.317 -10.197
   67    HB2  ALA  12          2HB       ALS  12   6.417   4.550  -8.901
   68    HB3  ALA  12          3HB       ALS  12   6.567   5.464 -10.402
   69    H    ASN  13           H        ASN  13   5.105   2.052 -11.194
   70    HA   ASN  13           HA       ASN  13   5.216   0.191  -9.004
   71    HB2  ASN  13          2HB       ASN  13   3.138  -0.593  -9.742
   72    HB3  ASN  13          3HB       ASN  13   3.114   1.106 -10.208
   73   HD21  ASN  13          1HD2      ASN  13   3.462   1.647 -12.406
   74   HD22  ASN  13          2HD2      ASN  13   3.140   0.501 -13.658
   75    H    SER  14           H        SER  14   6.287   0.279 -12.297
   76    HA   SER  14           HA       SER  14   6.438  -2.400 -12.960
   77    HB2  SER  14          2HB       SER  14   8.022   0.017 -13.708
   78    HB3  SER  14          3HB       SER  14   8.650  -1.564 -14.174
   79    HG   SER  14           HG       SER  14   5.958  -1.036 -14.678
   80    H    HIS  15           H        HIS  15   8.434  -0.541 -10.782
   81    HA   HIS  15           HA       HIS  15  10.254  -2.806 -10.416
   82    HB2  HIS  15          2HB       HIS  15  10.773  -0.131 -10.559
   83    HB3  HIS  15          3HB       HIS  15  10.696  -0.372  -8.816
   84    HD1  HIS  15           HD1      HIS  15  12.961  -0.615 -11.610
   85    HD2  HIS  15           HD2      HIS  15  12.536  -2.534  -7.949
   86    HE1  HIS  15           HE1      HIS  15  15.178  -1.716 -11.166
   87    H    ASN  16           H        NSS  16   8.560  -0.479  -8.302
   88    HB2  ASN  16          2HB       NSS  16   6.370  -2.402  -7.780
   89    HB3  ASN  16          3HB       NSS  16   7.011  -3.537  -6.596
   90   HD21  ASN  16          1HD2      NSS  16   4.880  -0.865  -7.149
   91   HD22  ASN  16          2HD2      NSS  16   4.053  -0.943  -5.634
   92    H    ALA  17           H        ALA  17   7.546  -2.697  -4.366
   93    HA   ALA  17           HA       ALA  17  10.012  -4.140  -4.113
   94    HB1  ALA  17          1HB       ALA  17  11.238  -2.727  -2.920
   95    HB2  ALA  17          2HB       ALA  17  10.025  -1.482  -3.224
   96    HB3  ALA  17          3HB       ALA  17   9.920  -2.480  -1.774
   97    H    GLY  18           H        GLY  18   7.456  -2.684  -2.083
   98    HA2  GLY  18          2HA       GLY  18   5.904  -4.801  -1.517
   99    HA3  GLY  18          3HA       GLY  18   7.295  -5.100  -0.486
  100    HA   PRO  19           HA       PRO  19   4.137  -2.235   1.564
  101    HB2  PRO  19          2HB       PRO  19   3.341  -3.946   3.515
  102    HB3  PRO  19          3HB       PRO  19   2.545  -3.848   1.940
  103    HG2  PRO  19          2HG       PRO  19   4.580  -5.816   2.915
  104    HG3  PRO  19          3HG       PRO  19   3.107  -6.104   1.971
  105    HD2  PRO  19          2HD       PRO  19   5.566  -6.008   0.841
  106    HD3  PRO  19          3HD       PRO  19   4.103  -5.474  -0.010
  107    H    ALA  20           H        ALA  20   6.379  -4.610   2.959
  108    HA   ALA  20           HA       ALA  20   7.001  -2.761   5.140
  109    HB1  ALA  20          1HB       ALA  20   8.438  -5.304   5.093
  110    HB2  ALA  20          2HB       ALA  20   7.497  -4.554   6.383
  111    HB3  ALA  20          3HB       ALA  20   6.683  -5.477   5.120
  112    H    TYR  21           H        TYR  21   7.855  -2.425   2.282
  113    HA   TYR  21           HA       TYR  21  10.734  -2.155   2.820
  114    HB2  TYR  21          2HB       TYR  21   9.461  -3.085   0.240
  115    HB3  TYR  21          3HB       TYR  21  11.162  -2.670   0.419
  116    HD1  TYR  21           HD1      TYR  21   8.540  -5.015   1.601
  117    HD2  TYR  21           HD2      TYR  21  12.708  -4.249   1.227
  118    HE1  TYR  21           HE1      TYR  21   9.021  -7.322   2.307
  119    HE2  TYR  21           HE2      TYR  21  13.201  -6.554   1.931
  120    HH   TYR  21           HH       TYR  21  10.592  -8.817   2.767
  121    H    CYS  22           H        CYS  22  11.788  -0.550   1.357
  122    HA   CYS  22           HA       CYS  22   9.976   1.508   0.340
  123    HB2  CYS  22          2HB       CYS  22  12.128   1.984   2.409
  124    HB3  CYS  22          3HB       CYS  22  11.350   3.270   1.492
  125    H    VAL  23           H        VAL  23  10.631   2.248  -1.569
  126    HA   VAL  23           HA       VAL  23  13.492   2.131  -2.238
  127    HB   VAL  23           HB       VAL  23  11.252   1.235  -4.058
  128   HG11  VAL  23          1HG1      VAL  23  12.767   2.172  -5.522
  129   HG12  VAL  23          2HG1      VAL  23  14.156   1.770  -4.509
  130   HG13  VAL  23          3HG1      VAL  23  13.343   0.507  -5.435
  131   HG21  VAL  23          1HG2      VAL  23  11.926  -0.346  -2.226
  132   HG22  VAL  23          2HG2      VAL  23  12.134  -0.969  -3.863
  133   HG23  VAL  23          3HG2      VAL  23  13.532  -0.396  -2.954
  134    H    GLY  24           H        GLY  24  14.261   3.921  -3.191
  135    HA2  GLY  24          2HA       GLY  24  12.307   5.836  -4.303
  136    HA3  GLY  24          3HA       GLY  24  13.592   6.361  -3.225
  137    H    TYR  25           H        TYR  25  12.687   6.014  -6.408
  138    HA   TYR  25           HA       TYR  25  15.180   5.382  -7.613
  139    HB2  TYR  25          2HB       TYR  25  12.816   5.292  -8.645
  140    HB3  TYR  25          3HB       TYR  25  13.027   7.015  -8.938
  141    HD1  TYR  25           HD1      TYR  25  13.461   3.810 -10.295
  142    HD2  TYR  25           HD2      TYR  25  15.288   7.650 -10.158
  143    HE1  TYR  25           HE1      TYR  25  14.673   3.301 -12.374
  144    HE2  TYR  25           HE2      TYR  25  16.504   7.152 -12.237
  145    HH   TYR  25           HH       TYR  25  15.765   4.436 -14.194
  146    H    CYS  26           H        CYS  26  16.920   6.604  -7.901
  147    HA   CYS  26           HA       CYS  26  16.639   9.521  -7.964
  148    HB2  CYS  26          2HB       CYS  26  18.757   8.126  -6.320
  149    HB3  CYS  26          3HB       CYS  26  18.447   9.857  -6.410
  150    H    GLY  27           H        GLY  27  17.226   9.838 -10.041
  151    HA2  GLY  27          2HA       GLY  27  19.314   8.331 -11.308
  152    HA3  GLY  27          3HA       GLY  27  18.462   9.709 -11.988
  153    H    ASN  28           H        ASN  28  19.960  11.115 -12.633
  154    HA   ASN  28           HA       ASN  28  22.342  11.536 -10.993
  155    HB2  ASN  28          2HB       ASN  28  22.400  11.171 -13.537
  156    HB3  ASN  28          3HB       ASN  28  21.786  12.817 -13.664
  157   HD21  ASN  28          1HD2      ASN  28  23.441  13.973 -14.375
  158   HD22  ASN  28          2HD2      ASN  28  25.015  14.017 -13.665
  159    H    ASN  29           H        ASN  29  20.162  12.480  -9.712
  160    HA   ASN  29           HA       ASN  29  20.038  15.359 -10.246
  161    HB2  ASN  29          2HB       ASN  29  18.376  13.692  -8.344
  162    HB3  ASN  29          3HB       ASN  29  18.109  15.384  -8.750
  163   HD21  ASN  29          1HD2      ASN  29  17.862  12.100  -9.830
  164   HD22  ASN  29          2HD2      ASN  29  16.869  12.412 -11.209
  165    H    GLY  30           H        GLY  30  20.906  13.023  -7.750
  166    HA2  GLY  30          2HA       GLY  30  22.987  13.972  -6.539
  167    HA3  GLY  30          3HA       GLY  30  21.855  15.221  -6.040
  168    H    VAL  31           H        VAL  31  23.153  13.829  -4.119
  169    HA   VAL  31           HA       VAL  31  21.956  11.475  -3.205
  170    HB   VAL  31           HB       VAL  31  23.172  13.671  -1.524
  171   HG11  VAL  31          1HG1      VAL  31  22.598  10.768  -0.963
  172   HG12  VAL  31          2HG1      VAL  31  23.665  11.764   0.029
  173   HG13  VAL  31          3HG1      VAL  31  21.957  12.178  -0.120
  174   HG21  VAL  31          1HG2      VAL  31  25.143  13.124  -2.387
  175   HG22  VAL  31          2HG2      VAL  31  24.908  11.450  -1.882
  176   HG23  VAL  31          3HG2      VAL  31  24.355  11.978  -3.472
  177    H    VAL  32           H        VAL  32  20.975  14.817  -2.911
  178    HA   VAL  32           HA       VAL  32  19.137  14.617  -0.822
  179    HB   VAL  32           HB       VAL  32  18.927  16.386  -3.262
  180   HG11  VAL  32          1HG1      VAL  32  17.903  17.747  -1.100
  181   HG12  VAL  32          2HG1      VAL  32  16.961  16.945  -2.358
  182   HG13  VAL  32          3HG1      VAL  32  17.320  16.102  -0.850
  183   HG21  VAL  32          1HG2      VAL  32  20.530  16.570  -0.752
  184   HG22  VAL  32          2HG2      VAL  32  20.984  16.970  -2.409
  185   HG23  VAL  32          3HG2      VAL  32  19.923  18.047  -1.501
  186    H    THR  33           H        THR  33  18.493  14.454  -4.327
  187    HA   THR  33           HA       THR  33  15.792  13.860  -4.211
  188    HB   THR  33           HB       THR  33  17.498  12.537  -6.289
  189    HG1  THR  33           HG1      THR  33  18.449  14.455  -6.462
  190   HG21  THR  33          1HG2      THR  33  15.674  13.228  -7.760
  191   HG22  THR  33          2HG2      THR  33  14.895  14.065  -6.417
  192   HG23  THR  33          3HG2      THR  33  15.056  12.310  -6.389
  193    H    ARG  34           H        RSS  34  18.553  11.629  -4.174
  194    HB2  ARG  34          2HB       RSS  34  19.607   9.246  -4.369
  195    HB3  ARG  34          3HB       RSS  34  19.722  10.000  -2.784
  196    HG2  ARG  34          2HG       RSS  34  18.309   7.447  -2.759
  197    HG3  ARG  34          3HG       RSS  34  19.984   7.332  -3.301
  198    HD2  ARG  34          2HD       RSS  34  19.512   9.009  -0.923
  199    HD3  ARG  34          3HD       RSS  34  19.227   7.282  -0.712
  200    HE   ARG  34           HE       RSS  34  21.724   7.849  -1.992
  201   HH11  ARG  34          1HH2      RSS  34  23.639   7.403  -0.836
  202   HH12  ARG  34          2HH2      RSS  34  23.563   7.156   0.876
  203   HH21  ARG  34          1HH1      RSS  34  20.102   7.614   1.079
  204   HH22  ARG  34          2HH1      RSS  34  21.551   7.274   1.966
  205    H    ASN  35           H        ASN  35  17.568  11.438  -1.593
  206    HA   ASN  35           HA       ASN  35  16.472   9.583   0.333
  207    HB2  ASN  35          2HB       ASN  35  17.135  12.529   0.523
  208    HB3  ASN  35          3HB       ASN  35  16.558  11.554   1.871
  209   HD21  ASN  35          1HD2      ASN  35  19.218  12.872   0.644
  210   HD22  ASN  35          2HD2      ASN  35  20.413  11.743   1.175
  211    H    ALA  36           H        ALA  36  15.401  12.529  -1.329
  212    HA   ALA  36           HA       ALA  36  12.931  12.884  -0.153
  213    HB1  ALA  36          1HB       ALA  36  12.668  14.468  -1.703
  214    HB2  ALA  36          2HB       ALA  36  14.279  14.018  -2.263
  215    HB3  ALA  36          3HB       ALA  36  12.853  13.321  -3.031
  216    H    ASN  37           H        ASN  37  13.739  10.835  -2.945
  217    HA   ASN  37           HA       ASN  37  11.125   9.902  -3.417
  218    HB2  ASN  37          2HB       ASN  37  13.841   8.776  -4.092
  219    HB3  ASN  37          3HB       ASN  37  12.347   7.981  -4.578
  220   HD21  ASN  37          1HD2      ASN  37  11.641   8.470  -6.516
  221   HD22  ASN  37          2HD2      ASN  37  11.970   9.926  -7.386
  222    H    ALA  38           H        ALA  38  13.847   8.317  -1.745
  223    HA   ALA  38           HA       ALA  38  12.496   6.037  -0.903
  224    HB1  ALA  38          1HB       ALA  38  14.750   7.483   0.485
  225    HB2  ALA  38          2HB       ALA  38  14.244   5.823   0.801
  226    HB3  ALA  38          3HB       ALA  38  14.914   6.255  -0.771
  227    H    ASN  39           H        ASN  39  12.358   9.285   0.298
  228    HA   ASN  39           HA       ASN  39  11.317   8.686   2.877
  229    HB2  ASN  39          2HB       ASN  39  11.691  11.112   1.218
  230    HB3  ASN  39          3HB       ASN  39  10.424  11.198   2.438
  231   HD21  ASN  39          1HD2      ASN  39  13.515  11.934   1.901
  232   HD22  ASN  39          2HD2      ASN  39  14.150  11.831   3.504
  233    H    VAL  40           H        VAL  40   9.907   9.162  -0.288
  234    HA   VAL  40           HA       VAL  40   7.204   9.360   0.664
  235    HB   VAL  40           HB       VAL  40   8.168   8.743  -2.131
  236   HG11  VAL  40          1HG1      VAL  40   6.002   8.436  -2.542
  237   HG12  VAL  40          2HG1      VAL  40   5.547   8.990  -0.929
  238   HG13  VAL  40          3HG1      VAL  40   5.781  10.157  -2.231
  239   HG21  VAL  40          1HG2      VAL  40   9.074  10.804  -1.939
  240   HG22  VAL  40          2HG2      VAL  40   7.414  11.324  -2.231
  241   HG23  VAL  40          3HG2      VAL  40   8.040  11.252  -0.583
  242    H    ALA  41           H        ALA  41   9.320   6.805  -0.455
  243    HA   ALA  41           HA       ALA  41   7.200   4.848  -0.611
  244    HB1  ALA  41          1HB       ALA  41  10.136   4.227  -0.611
  245    HB2  ALA  41          2HB       ALA  41   8.816   3.341  -1.378
  246    HB3  ALA  41          3HB       ALA  41   9.329   4.898  -2.029
  247    H    LYS  42           H        KSS  42  10.051   5.354   1.466
  248    HB2  LYS  42          2HB       KSS  42  11.101   4.418   4.742
  249    HB3  LYS  42          3HB       KSS  42  11.632   4.875   3.129
  250    HG2  LYS  42          2HG       KSS  42  11.588   6.944   4.001
  251    HG3  LYS  42          3HG       KSS  42   9.870   6.846   3.609
  252    HD2  LYS  42          2HD       KSS  42   9.927   7.596   5.830
  253    HD3  LYS  42          3HD       KSS  42   9.575   5.871   5.955
  254    HE2  LYS  42          2HE       KSS  42  11.296   5.741   7.364
  255    HE3  LYS  42          3HE       KSS  42  12.342   5.997   5.968
  256    HZ1  LYS  42          1HZ       KSS  42  12.566   8.238   6.445
  257    HZ2  LYS  42          2HZ       KSS  42  12.597   7.533   7.982
  258    HZ3  LYS  42          3HZ       KSS  42  11.189   8.287   7.426
  259    H    THR  43           H        THR  43   7.969   6.278   3.017
  260    HA   THR  43           HA       THR  43   6.651   5.903   5.575
  261    HB   THR  43           HB       THR  43   6.066   7.975   3.453
  262    HG1  THR  43           HG1      THR  43   7.924   7.913   5.592
  263   HG21  THR  43          1HG2      THR  43   4.370   7.452   5.320
  264   HG22  THR  43          2HG2      THR  43   4.845   9.133   5.078
  265   HG23  THR  43          3HG2      THR  43   5.544   8.200   6.401
  266    H    ALA  44           H        ALA  44   5.872   5.691   2.137
  267    HA   ALA  44           HA       ALA  44   3.110   5.028   2.630
  268    HB1  ALA  44          1HB       ALA  44   2.979   4.716   0.200
  269    HB2  ALA  44          2HB       ALA  44   3.710   6.264   0.627
  270    HB3  ALA  44          3HB       ALA  44   4.727   4.928   0.086
  Start of MODEL   20
    1    H1   TRP   1           H        TRP   1   0.834   0.528   0.564
    2    HA   TRP   1           HA       TRP   1   3.144  -0.963  -0.484
    3    HB2  TRP   1          2HB       TRP   1   0.617   0.006  -1.691
    4    HB3  TRP   1          3HB       TRP   1   2.056   0.129  -2.700
    5    HD1  TRP   1           HD1      TRP   1   1.125  -2.759  -0.288
    6    HE1  TRP   1           HE1      TRP   1   1.046  -4.939  -1.655
    7    HE3  TRP   1           HE3      TRP   1   1.963  -0.827  -4.947
    8    HZ2  TRP   1           HZ2      TRP   1   1.306  -5.734  -4.351
    9    HZ3  TRP   1           HZ3      TRP   1   2.033  -2.364  -6.866
   10    HH2  TRP   1           HH2      TRP   1   1.712  -4.767  -6.573
   11    H    GLY   2           H        GLY   2   4.976   0.097  -0.877
   12    HA2  GLY   2          2HA       GLY   2   4.842   3.024  -1.241
   13    HA3  GLY   2          3HA       GLY   2   6.024   2.293  -0.165
   14    H    CYS   3           H        CYS   3   5.345   3.269  -3.338
   15    HA   CYS   3           HA       CYS   3   7.988   2.394  -4.192
   16    HB2  CYS   3          2HB       CYS   3   5.735   0.939  -4.947
   17    HB3  CYS   3          3HB       CYS   3   6.069   1.969  -6.335
   18    H    VAL   4           H        VAL   4   8.970   4.128  -4.969
   19    HA   VAL   4           HA       VAL   4   7.386   6.082  -6.504
   20    HB   VAL   4           HB       VAL   4   7.957   6.949  -4.244
   21   HG11  VAL   4          1HG1      VAL   4  10.474   5.818  -4.836
   22   HG12  VAL   4          2HG1      VAL   4  10.706   7.563  -4.703
   23   HG13  VAL   4          3HG1      VAL   4   9.978   6.665  -3.371
   24   HG21  VAL   4          1HG2      VAL   4   8.424   9.087  -4.991
   25   HG22  VAL   4          2HG2      VAL   4   9.540   8.522  -6.235
   26   HG23  VAL   4          3HG2      VAL   4   7.802   8.317  -6.451
   27    H    CYS   5           H        CYS   5   8.467   7.162  -8.192
   28    HA   CYS   5           HA       CYS   5  11.134   6.171  -8.896
   29    HB2  CYS   5          2HB       CYS   5   8.836   6.265 -10.859
   30    HB3  CYS   5          3HB       CYS   5  10.474   5.703 -11.178
   31    H    SER   6           H        SER   6  12.408   7.609 -10.009
   32    HA   SER   6           HA       SER   6  11.579  10.368  -9.902
   33    HB2  SER   6          2HB       SER   6  13.843   9.863  -9.245
   34    HB3  SER   6          3HB       SER   6  14.160   9.054 -10.779
   35    HG   SER   6           HG       SER   6  13.478  11.797 -10.543
   36    H    GLY   7           H        GLY   7   9.811   9.984 -11.499
   37    HA2  GLY   7          2HA       GLY   7  10.375  11.166 -13.949
   38    HA3  GLY   7          3HA       GLY   7  10.401   9.430 -14.219
   39    H    SER   8           H        SER   8   8.474   8.215 -13.847
   40    HA   SER   8           HA       SER   8   6.015   9.794 -13.599
   41    HB2  SER   8          2HB       SER   8   6.804   8.029 -15.893
   42    HB3  SER   8          3HB       SER   8   5.103   8.196 -15.461
   43    HG   SER   8           HG       SER   8   6.647   9.883 -16.841
   44    H    THR   9           H        THR   9   4.068   8.176 -13.559
   45    HA   THR   9           HA       THR   9   4.536   6.432 -11.332
   46    HB   THR   9           HB       THR   9   2.079   5.871 -11.631
   47    HG1  THR   9           HG1      THR   9   1.795   6.366 -13.801
   48   HG21  THR   9          1HG2      THR   9   3.263   7.951 -10.389
   49   HG22  THR   9          2HG2      THR   9   1.524   7.660 -10.357
   50   HG23  THR   9          3HG2      THR   9   2.204   8.818 -11.500
   51    H    ALA  10           H        ALA  10   3.789   6.012 -14.759
   52    HA   ALA  10           HA       ALA  10   3.265   3.303 -14.849
   53    HB1  ALA  10          1HB       ALA  10   2.940   4.372 -16.863
   54    HB2  ALA  10          2HB       ALA  10   4.492   5.208 -16.793
   55    HB3  ALA  10          3HB       ALA  10   4.434   3.487 -17.172
   56    H    VAL  11           H        VAL  11   6.383   4.949 -14.708
   57    HA   VAL  11           HA       VAL  11   7.865   2.474 -14.926
   58    HB   VAL  11           HB       VAL  11   8.849   4.462 -15.894
   59   HG11  VAL  11          1HG1      VAL  11   9.639   6.304 -14.403
   60   HG12  VAL  11          2HG1      VAL  11   7.884   6.188 -14.549
   61   HG13  VAL  11          3HG1      VAL  11   8.692   5.584 -13.102
   62   HG21  VAL  11          1HG2      VAL  11  10.678   4.193 -13.617
   63   HG22  VAL  11          2HG2      VAL  11  10.158   2.664 -14.326
   64   HG23  VAL  11          3HG2      VAL  11  10.945   3.880 -15.332
   65    H    ALA  12           H        ALS  12   6.711   4.599 -12.417
   66    HB1  ALA  12          1HB       ALS  12   5.541   4.759 -10.135
   67    HB2  ALA  12          2HB       ALS  12   6.729   4.724  -8.831
   68    HB3  ALA  12          3HB       ALS  12   6.981   5.774 -10.226
   69    H    ASN  13           H        ASN  13   5.119   2.674 -11.273
   70    HA   ASN  13           HA       ASN  13   5.008   0.612  -9.305
   71    HB2  ASN  13          2HB       ASN  13   2.903   0.082 -10.181
   72    HB3  ASN  13          3HB       ASN  13   3.053   1.805 -10.511
   73   HD21  ASN  13          1HD2      ASN  13   3.448   2.496 -12.631
   74   HD22  ASN  13          2HD2      ASN  13   3.120   1.477 -13.987
   75    H    SER  14           H        SER  14   6.230   0.846 -12.538
   76    HA   SER  14           HA       SER  14   6.170  -1.783 -13.396
   77    HB2  SER  14          2HB       SER  14   6.946   0.154 -14.758
   78    HB3  SER  14          3HB       SER  14   8.443   0.171 -13.826
   79    HG   SER  14           HG       SER  14   7.525  -1.706 -15.698
   80    H    HIS  15           H        HIS  15   8.233  -0.265 -11.023
   81    HA   HIS  15           HA       HIS  15   9.793  -2.735 -10.743
   82    HB2  HIS  15          2HB       HIS  15  10.396   0.073 -10.437
   83    HB3  HIS  15          3HB       HIS  15  10.783  -0.802  -8.958
   84    HD1  HIS  15           HD1      HIS  15  12.913  -2.108  -8.945
   85    HD2  HIS  15           HD2      HIS  15  11.774  -0.976 -12.776
   86    HE1  HIS  15           HE1      HIS  15  14.840  -2.739 -10.433
   87    H    ASN  16           H        NSS  16   8.328  -0.290  -8.591
   88    HB2  ASN  16          2HB       NSS  16   5.940  -1.985  -8.156
   89    HB3  ASN  16          3HB       NSS  16   6.435  -3.208  -6.989
   90   HD21  ASN  16          1HD2      NSS  16   4.710  -0.214  -7.447
   91   HD22  ASN  16          2HD2      NSS  16   3.809  -0.280  -5.974
   92    H    ALA  17           H        ALA  17   7.010  -2.481  -4.731
   93    HA   ALA  17           HA       ALA  17   9.233  -4.241  -4.464
   94    HB1  ALA  17          1HB       ALA  17   9.276  -1.647  -2.960
   95    HB2  ALA  17          2HB       ALA  17  10.072  -3.090  -2.329
   96    HB3  ALA  17          3HB       ALA  17  10.567  -2.418  -3.883
   97    H    GLY  18           H        GLY  18   6.968  -2.337  -2.462
   98    HA2  GLY  18          2HA       GLY  18   5.096  -4.085  -1.771
   99    HA3  GLY  18          3HA       GLY  18   6.445  -4.692  -0.821
  100    HA   PRO  19           HA       PRO  19   4.075  -1.242   1.401
  101    HB2  PRO  19          2HB       PRO  19   2.957  -2.775   3.343
  102    HB3  PRO  19          3HB       PRO  19   2.161  -2.449   1.799
  103    HG2  PRO  19          2HG       PRO  19   3.706  -4.864   2.660
  104    HG3  PRO  19          3HG       PRO  19   2.180  -4.774   1.762
  105    HD2  PRO  19          2HD       PRO  19   4.559  -5.222   0.550
  106    HD3  PRO  19          3HD       PRO  19   3.237  -4.337  -0.239
  107    H    ALA  20           H        ALA  20   5.904  -4.049   2.504
  108    HA   ALA  20           HA       ALA  20   6.902  -2.536   4.806
  109    HB1  ALA  20          1HB       ALA  20   6.069  -4.805   5.219
  110    HB2  ALA  20          2HB       ALA  20   7.287  -5.446   4.114
  111    HB3  ALA  20          3HB       ALA  20   7.783  -4.653   5.609
  112    H    TYR  21           H        TYR  21   7.685  -2.097   1.941
  113    HA   TYR  21           HA       TYR  21  10.581  -2.248   2.378
  114    HB2  TYR  21          2HB       TYR  21   9.196  -2.997  -0.205
  115    HB3  TYR  21          3HB       TYR  21  10.937  -2.886   0.025
  116    HD1  TYR  21           HD1      TYR  21   7.933  -4.864   0.688
  117    HD2  TYR  21           HD2      TYR  21  12.134  -4.581   1.304
  118    HE1  TYR  21           HE1      TYR  21   7.981  -7.218   1.397
  119    HE2  TYR  21           HE2      TYR  21  12.194  -6.935   2.014
  120    HH   TYR  21           HH       TYR  21  10.751  -9.019   1.607
  121    H    CYS  22           H        CYS  22  11.712  -0.488   1.705
  122    HA   CYS  22           HA       CYS  22  10.158   1.667   0.429
  123    HB2  CYS  22          2HB       CYS  22  12.368   1.814   2.484
  124    HB3  CYS  22          3HB       CYS  22  11.781   3.216   1.595
  125    H    VAL  23           H        VAL  23  10.794   2.186  -1.548
  126    HA   VAL  23           HA       VAL  23  13.639   1.921  -2.244
  127    HB   VAL  23           HB       VAL  23  11.332   1.083  -4.006
  128   HG11  VAL  23          1HG1      VAL  23  12.750   1.640  -5.651
  129   HG12  VAL  23          2HG1      VAL  23  14.134   1.728  -4.560
  130   HG13  VAL  23          3HG1      VAL  23  13.608   0.168  -5.195
  131   HG21  VAL  23          1HG2      VAL  23  13.208  -0.392  -2.250
  132   HG22  VAL  23          2HG2      VAL  23  11.536  -0.753  -2.680
  133   HG23  VAL  23          3HG2      VAL  23  12.835  -1.111  -3.817
  134    H    GLY  24           H        GLY  24  14.381   3.871  -2.746
  135    HA2  GLY  24          2HA       GLY  24  12.539   5.777  -4.046
  136    HA3  GLY  24          3HA       GLY  24  13.892   6.240  -3.024
  137    H    TYR  25           H        TYR  25  12.862   5.432  -6.198
  138    HA   TYR  25           HA       TYR  25  15.526   5.144  -7.276
  139    HB2  TYR  25          2HB       TYR  25  13.272   4.104  -8.131
  140    HB3  TYR  25          3HB       TYR  25  13.111   5.638  -8.978
  141    HD1  TYR  25           HD1      TYR  25  15.431   2.763  -8.522
  142    HD2  TYR  25           HD2      TYR  25  14.180   5.966 -11.029
  143    HE1  TYR  25           HE1      TYR  25  16.880   1.915 -10.319
  144    HE2  TYR  25           HE2      TYR  25  15.625   5.125 -12.833
  145    HH   TYR  25           HH       TYR  25  17.698   2.285 -12.355
  146    H    CYS  26           H        CYS  26  16.793   6.870  -7.432
  147    HA   CYS  26           HA       CYS  26  15.593   9.470  -8.086
  148    HB2  CYS  26          2HB       CYS  26  18.362   8.889  -7.016
  149    HB3  CYS  26          3HB       CYS  26  17.618  10.474  -7.196
  150    H    GLY  27           H        GLY  27  18.628   7.716  -8.783
  151    HA2  GLY  27          2HA       GLY  27  19.229   7.183 -11.070
  152    HA3  GLY  27          3HA       GLY  27  18.390   8.642 -11.574
  153    H    ASN  28           H        ASN  28  19.490  10.527 -11.699
  154    HA   ASN  28           HA       ASN  28  22.114  10.743 -10.443
  155    HB2  ASN  28          2HB       ASN  28  22.367   9.770 -12.783
  156    HB3  ASN  28          3HB       ASN  28  21.788  11.320 -13.388
  157   HD21  ASN  28          1HD2      ASN  28  24.108  10.748 -14.320
  158   HD22  ASN  28          2HD2      ASN  28  25.395  11.570 -13.511
  159    H    ASN  29           H        ASN  29  19.560  12.021  -9.990
  160    HA   ASN  29           HA       ASN  29  19.789  14.697 -11.070
  161    HB2  ASN  29          2HB       ASN  29  17.886  13.617  -8.979
  162    HB3  ASN  29          3HB       ASN  29  17.747  15.162  -9.812
  163   HD21  ASN  29          1HD2      ASN  29  15.889  12.924  -9.711
  164   HD22  ASN  29          2HD2      ASN  29  15.621  12.448 -11.350
  165    H    GLY  30           H        GLY  30  20.639  12.981  -8.171
  166    HA2  GLY  30          2HA       GLY  30  22.572  14.403  -7.124
  167    HA3  GLY  30          3HA       GLY  30  21.233  15.483  -6.762
  168    H    VAL  31           H        VAL  31  22.755  14.526  -4.719
  169    HA   VAL  31           HA       VAL  31  21.836  12.124  -3.558
  170    HB   VAL  31           HB       VAL  31  22.972  14.537  -2.139
  171   HG11  VAL  31          1HG1      VAL  31  22.579  11.669  -1.338
  172   HG12  VAL  31          2HG1      VAL  31  23.760  12.711  -0.541
  173   HG13  VAL  31          3HG1      VAL  31  22.046  13.129  -0.504
  174   HG21  VAL  31          1HG2      VAL  31  24.607  13.995  -3.700
  175   HG22  VAL  31          2HG2      VAL  31  25.097  13.076  -2.277
  176   HG23  VAL  31          3HG2      VAL  31  24.265  12.267  -3.606
  177    H    VAL  32           H        VAL  32  20.837  15.499  -3.143
  178    HA   VAL  32           HA       VAL  32  19.053  15.238  -1.055
  179    HB   VAL  32           HB       VAL  32  18.745  17.006  -3.486
  180   HG11  VAL  32          1HG1      VAL  32  16.708  17.320  -2.558
  181   HG12  VAL  32          2HG1      VAL  32  17.222  16.750  -0.969
  182   HG13  VAL  32          3HG1      VAL  32  17.611  18.391  -1.486
  183   HG21  VAL  32          1HG2      VAL  32  19.666  18.235  -1.020
  184   HG22  VAL  32          2HG2      VAL  32  20.773  16.997  -1.612
  185   HG23  VAL  32          3HG2      VAL  32  20.323  18.348  -2.652
  186    H    THR  33           H        THR  33  18.274  15.033  -4.530
  187    HA   THR  33           HA       THR  33  15.589  14.351  -4.259
  188    HB   THR  33           HB       THR  33  16.977  13.039  -6.504
  189    HG1  THR  33           HG1      THR  33  18.157  14.703  -7.033
  190   HG21  THR  33          1HG2      THR  33  14.472  13.557  -6.182
  191   HG22  THR  33          2HG2      THR  33  15.194  13.887  -7.757
  192   HG23  THR  33          3HG2      THR  33  14.905  15.208  -6.625
  193    H    ARG  34           H        RSS  34  18.432  12.236  -4.531
  194    HB2  ARG  34          2HB       RSS  34  19.549   9.904  -4.908
  195    HB3  ARG  34          3HB       RSS  34  19.784  10.609  -3.315
  196    HG2  ARG  34          2HG       RSS  34  18.466   8.020  -3.212
  197    HG3  ARG  34          3HG       RSS  34  20.057   7.957  -3.973
  198    HD2  ARG  34          2HD       RSS  34  21.027   9.089  -2.031
  199    HD3  ARG  34          3HD       RSS  34  19.436   9.149  -1.273
  200    HE   ARG  34           HE       RSS  34  19.854   6.500  -1.802
  201   HH11  ARG  34          1HH2      RSS  34  20.751   5.034  -0.303
  202   HH12  ARG  34          2HH2      RSS  34  21.785   5.625   0.953
  203   HH21  ARG  34          1HH1      RSS  34  21.557   8.971  -0.037
  204   HH22  ARG  34          2HH1      RSS  34  22.243   7.865   1.106
  205    H    ASN  35           H        ASN  35  17.623  11.954  -1.907
  206    HA   ASN  35           HA       ASN  35  16.897  10.017   0.094
  207    HB2  ASN  35          2HB       ASN  35  17.218  13.021   0.196
  208    HB3  ASN  35          3HB       ASN  35  16.825  12.033   1.599
  209   HD21  ASN  35          1HD2      ASN  35  19.243  13.639   0.351
  210   HD22  ASN  35          2HD2      ASN  35  20.584  12.636   0.775
  211    H    ALA  36           H        ALA  36  15.322  12.817  -1.424
  212    HA   ALA  36           HA       ALA  36  12.924  12.805  -0.053
  213    HB1  ALA  36          1HB       ALA  36  12.454  13.338  -2.841
  214    HB2  ALA  36          2HB       ALA  36  12.446  14.448  -1.469
  215    HB3  ALA  36          3HB       ALA  36  13.956  14.094  -2.308
  216    H    ASN  37           H        ASN  37  13.726  11.025  -3.033
  217    HA   ASN  37           HA       ASN  37  11.299   9.788  -3.480
  218    HB2  ASN  37          2HB       ASN  37  14.116   8.829  -3.981
  219    HB3  ASN  37          3HB       ASN  37  12.701   7.932  -4.522
  220   HD21  ASN  37          1HD2      ASN  37  11.721   8.514  -6.357
  221   HD22  ASN  37          2HD2      ASN  37  12.146   9.893  -7.309
  222    H    ALA  38           H        ALA  38  14.057   8.401  -1.689
  223    HA   ALA  38           HA       ALA  38  12.748   6.105  -0.789
  224    HB1  ALA  38          1HB       ALA  38  15.039   7.635   0.431
  225    HB2  ALA  38          2HB       ALA  38  14.512   6.040   0.968
  226    HB3  ALA  38          3HB       ALA  38  15.135   6.258  -0.667
  227    H    ASN  39           H        ASN  39  12.572   9.382   0.312
  228    HA   ASN  39           HA       ASN  39  11.567   8.837   2.922
  229    HB2  ASN  39          2HB       ASN  39  12.636  11.009   2.081
  230    HB3  ASN  39          3HB       ASN  39  11.070  11.366   1.357
  231   HD21  ASN  39          1HD2      ASN  39  11.537  13.232   2.910
  232   HD22  ASN  39          2HD2      ASN  39  10.862  13.076   4.493
  233    H    VAL  40           H        VAL  40  10.125   9.262  -0.240
  234    HA   VAL  40           HA       VAL  40   7.430   9.445   0.740
  235    HB   VAL  40           HB       VAL  40   8.440   8.885  -2.053
  236   HG11  VAL  40          1HG1      VAL  40   5.743   9.075  -0.888
  237   HG12  VAL  40          2HG1      VAL  40   5.998   9.989  -2.376
  238   HG13  VAL  40          3HG1      VAL  40   6.297   8.251  -2.345
  239   HG21  VAL  40          1HG2      VAL  40   9.203  11.033  -1.407
  240   HG22  VAL  40          2HG2      VAL  40   7.770  11.296  -2.401
  241   HG23  VAL  40          3HG2      VAL  40   7.663  11.430  -0.645
  242    H    ALA  41           H        ALA  41   9.556   6.903  -0.389
  243    HA   ALA  41           HA       ALA  41   7.452   4.927  -0.513
  244    HB1  ALA  41          1HB       ALA  41  10.416   4.414  -0.579
  245    HB2  ALA  41          2HB       ALA  41   9.120   3.398  -1.212
  246    HB3  ALA  41          3HB       ALA  41   9.495   4.936  -1.990
  247    H    LYS  42           H        KSS  42  10.317   5.473   1.535
  248    HB2  LYS  42          2HB       KSS  42  11.983   4.718   3.396
  249    HB3  LYS  42          3HB       KSS  42  11.060   6.172   3.752
  250    HG2  LYS  42          2HG       KSS  42  10.681   4.022   5.695
  251    HG3  LYS  42          3HG       KSS  42  12.337   4.624   5.592
  252    HD2  LYS  42          2HD       KSS  42  11.654   6.841   6.091
  253    HD3  LYS  42          3HD       KSS  42   9.949   6.437   5.874
  254    HE2  LYS  42          2HE       KSS  42  10.048   4.973   7.830
  255    HE3  LYS  42          3HE       KSS  42  11.755   5.362   8.040
  256    HZ1  LYS  42          1HZ       KSS  42   9.403   7.090   8.462
  257    HZ2  LYS  42          2HZ       KSS  42  10.922   7.770   8.160
  258    HZ3  LYS  42          3HZ       KSS  42  10.694   6.776   9.510
  259    H    THR  43           H        THR  43   8.235   6.379   3.105
  260    HA   THR  43           HA       THR  43   6.946   6.001   5.674
  261    HB   THR  43           HB       THR  43   6.317   8.036   3.527
  262    HG1  THR  43           HG1      THR  43   8.255   7.932   5.547
  263   HG21  THR  43          1HG2      THR  43   5.288   9.287   5.382
  264   HG22  THR  43          2HG2      THR  43   5.623   7.936   6.466
  265   HG23  THR  43          3HG2      THR  43   4.500   7.731   5.121
  266    H    ALA  44           H        ALA  44   6.177   5.650   2.256
  267    HA   ALA  44           HA       ALA  44   3.405   5.093   2.660
  268    HB1  ALA  44          1HB       ALA  44   5.147   4.466   0.279
  269    HB2  ALA  44          2HB       ALA  44   3.383   4.467   0.313
  270    HB3  ALA  44          3HB       ALA  44   4.270   5.974   0.540