*HEADER    ANTIMICROBIAL PROTEIN                   06-OCT-14   2MVI              
*TITLE     STRUCTURE OF THE S-GLYCOSYLATED BACTERIOCIN ASM1                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BACTERIOCIN PLANTARICAN ASM1;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 22-64                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM;                        
*SOURCE   3 ORGANISM_TAXID: 1590                                                 
*KEYWDS    ANTIMICROBIAL PROTEIN, GLYCOPEPTIDE, S-GLYCOSYLATION, O-              
*KEYWDS   2 GLYCOSYLATION, BACTERIOCIN, GLYCOCIN                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.K.GORONCY, T.S.LOO, A.KOOLARD, M.L.PATCHETT, G.E.NORRIS             
*REVDAT   1   10-DEC-14 2MVI    0                                                


 12 CYS SG     21 CYS SG      2.00 
 12 CYS SG     21 CYS CB      3.00 
 12 CYS CB     21 CYS SG      3.00  
  5 CYS SG     28 CYS SG      2.00 
  5 CYS SG     28 CYS CB      3.00 
  5 CYS CB     28 CYS SG      3.00 
 18 SER OG    100 NAG C1      1.40 
 18 SER OG    100 NAG O5      2.30 
 18 SER OG    100 NAG H1      1.70
 43 CYS SG    200 NAG C1      2.00
 43 CYS SG    200 NAG O5      2.20
  3  ALA   PHI  -88.9  -26.9
  3  ALA   PSI  -5.1   54.9
  5  CYS   PHI  -122.5  -62.5
  5  CYS   PSI  157.7  217.7
  9  LEU   PHI  -86.4  -26.4
  10  ALA   PHI  60.5  120.5
  10  ALA   PSI  34.7  94.7
  12  CYS   PHI  -130.4  -190.4
  12  CYS   PSI  153.6  213.6
  20  THR   PHI  -89.4  -149.4
  20  THR   PSI  135.8  165.8
  21  CYS   PHI  -132.3  -192.3
  21  CYS   PSI  157.0  217.0
  23  TYR   PHI  -64.3  -124.3
  23  TYR   PSI  -24.7  35.3
  24  MET   PHI  -62.4  -122.4
  24  MET   PSI  -41.9  18.1
  25  TYR   PHI  -63.4  -123.4
  25  TYR   PSI  -36.3  23.7
  26  SER   PHI  -84.1  -24.1
  26  SER   PSI  2.7  62.7
  27  HIS   PHI  56.0  116.0
  27  HIS   PSI  43.3  103.3
  28  CYS   PHI -134.2  -74.2
  28  CYS   PSI  160.1  100.1
  29  PHE   PHI  -122.2  -62.2
  29  PHE   PSI  155.7  95.7
  31  VAL   PHI  -102.0  -42.0
  31  VAL   PSI  155.8  95.8
  35  SER   PHI  -101.8  -41.8
  35  SER   PSI  155.9  95.9
  42  HIS   PHI  -95.0  -35.0
  42  HIS   PSI  123.9  63.9
  2 PRO  HG2     4 TRP  HE1     5.50 #SUP  0.99 #QF 0.99
  2 PRO  HG3     4 TRP  HE1     5.50            #peak 1 #SUP 0.99 #QF 0.99
  2 PRO  HB2     4 TRP  HE1     4.63            #peak 2 #SUP 0.99 #QF 0.99
  2 PRO  HB3     4 TRP  HE1     4.52            #peak 3 #SUP 0.97 #QF 0.97
 22 ASP- HA     25 TYR  HN      4.21            #peak 4 #SUP 0.86 #QF 0.86
 25 TYR  HN     26 SER  HB2     5.50            #peak 7 #SUP 0.97 #QF 0.96
 25 TYR  HN     26 SER  HB3     5.50            #peak 7 #SUP 0.97 #QF 0.96
 25 TYR  HN     25 TYR  HB3     3.62            #peak 9 #SUP 0.85 #QF 0.85
 24 MET  HG2    25 TYR  HN      5.29            #peak 10 #SUP 0.97 #QF 0.97
 24 MET  HG3    25 TYR  HN      5.50            #peak 11 #SUP 0.99 #QF 0.99
 24 MET  HN     24 MET  HG3     3.41            #peak 18 #SUP 1.00
 24 MET  HN     28 CYS HB3     5.48            #peak 21 #SUP 0.57 #QF 0.57
 24 MET  HN     24 MET  QE      4.13            #peak 22 #SUP 0.91 #QF 0.51
 21 CYS HB3    22 ASP- HN      2.85            #peak 26 #SUP 0.84 #QF 0.27
 23 TYR  HB3    24 MET  HN      5.50            #peak 30 #SUP 0.55 #QF 0.55
 19 GLY  HN     20 THR  HB      5.50            #peak 31 #SUP 0.80 #QF 0.80
 17 ASP- HA     19 GLY  HN      5.11            #peak 32 #SUP 1.00
 19 GLY  HN    100 NAG  H1      5.50            #peak 33 #SUP 0.95 #QF 0.95
 18 SER HA     19 GLY  HN      3.24            #peak 34 #SUP 0.99 #QF 0.99
 19 GLY  HN     19 GLY  HA1     2.72            #peak 35 #SUP 0.94 #QF 0.94
 19 GLY  HN     19 GLY  HA2     2.86            #peak 36 #SUP 0.98 #QF 0.98
  2 PRO  HB3     3 ALA  HN      3.76            #peak 39 #SUP 0.86 #QF 0.86
  2 PRO  HG3     3 ALA  HN      5.50            #peak 41 #SUP 0.89 #QF 0.89
  3 ALA  HN      3 ALA  QB      2.79            #peak 42 #SUP 0.75 #QF 0.75
  2 PRO  HB2     3 ALA  HN      4.15            #peak 43 #SUP 0.96 #QF 0.96
 31 VAL  QG2    33 HIS  HN      5.47            #peak 46 #SUP 0.69 #QF 0.69
 32 LYS+ HA     33 HIS  HN      2.79            #peak 47 #SUP 0.66 #QF 0.66
 33 HIS  HN     33 HIS  HB2     3.68            #peak 49 #SUP 0.90 #QF 0.90
 33 HIS  HN     33 HIS  HB3     3.68            #peak 57 #SUP 0.94 #QF 0.94
 35 SER  HN     35 SER  HB2     4.10            #peak 63 #SUP 0.84 #QF 0.84
 25 TYR  QE     33 HIS  HN      5.50            #peak 64 #SUP 0.26 #QF 0.26
 10 ALA  HA     12 CYS HN      5.20            #peak 68 #SUP 0.77 #QF 0.77
 11 MET  HG3    12 CYS HN      5.50            #peak 71 #SUP 0.59 #QF 0.59
 11 MET  HB2    12 CYS HN      3.24            #peak 72 #SUP 0.77 #QF 0.77
 12 CYS HN     24 MET  QE      5.03            #peak 74 #SUP 0.71 #QF 0.71
 12 CYS HN     12 CYS HB3     2.82            #peak 75 #SUP 0.84 #QF 0.84
 12 CYS HN     12 CYS HB2     3.59            #peak 76 #SUP 0.91 #QF 0.91
 11 MET  HB3    12 CYS HN      3.61            #peak 77 #SUP 0.85 #QF 0.85
 35 SER  HN     35 SER  HB3     4.10            #peak 80 #SUP 0.98 #QF 0.96
 11 MET  HG2    12 CYS HN      5.50            #peak 82 #SUP 0.85 #QF 0.85
 12 CYS HA     13 GLY  HN      3.42            #peak 84 #SUP 0.89 #QF 0.89
 12 CYS HB2    13 GLY  HN      3.42            #peak 88 #SUP 0.90 #QF 0.90
 13 GLY  HN     14 ALA  QB      4.92            #peak 89 #SUP 0.66 #QF 0.66
 28 CYS HN     31 VAL  QG2     5.50            #peak 91 #SUP 0.43 #QF 0.43
 24 MET  HA     28 CYS HN      3.41            #peak 97 #SUP 0.86 #QF 0.86
 27 HIS  HA     28 CYS HN      3.46            #peak 99 #SUP 0.98 #QF 0.82
 28 CYS HN     28 CYS HB2     2.78            #peak 101 #SUP 0.89 #QF 0.89
 28 CYS HN     29 PHE  HB3     5.50            #peak 102 #SUP 0.88 #QF 0.88
 28 CYS HN     28 CYS HB3     3.39            #peak 103 #SUP 0.93 #QF 0.93
 13 GLY  HN     15 GLY  HA1     5.19            #peak 106 #SUP 0.22 #QF 0.22
 12 CYS HB3    13 GLY  HN      4.32            #peak 107 #SUP 0.87 #QF 0.33
 28 CYS HN     29 PHE  HB2     4.22            #peak 112 #SUP 0.57 #QF 0.57
 17 ASP- HA     18 SER HN      2.65            #peak 114 #SUP 0.80 #QF 0.80
 17 ASP- HB2    18 SER HN      3.71            #peak 120 #SUP 0.57 #QF 0.57
 18 SER HN     20 THR  QG2     3.78            #peak 122 #SUP 0.98 #QF 0.80
 20 THR  HA     21 CYS HN      2.68            #peak 124 #SUP 0.48 #QF 0.48
 21 CYS HN     21 CYS HB2     2.85            #peak 126 #SUP 0.96 #QF 0.96
 26 SER  HN     28 CYS HB2     4.15            #peak 128 #SUP 0.74 #QF 0.74
 23 TYR  HN     24 MET  HG3     5.50            #peak 129 #SUP 0.94 #QF 0.94
 23 TYR  HN     24 MET  HB2     5.08            #peak 130 #SUP 1.00 #QF 0.89
 24 MET  HB2    26 SER  HN      5.43            #peak 130 #SUP 1.00 #QF 0.89
 24 MET  HB3    26 SER  HN      5.22            #peak 131 #SUP 0.99 #QF 0.99
 26 SER  HN     28 CYS HB3     5.45            #peak 132 #SUP 0.53 #QF 0.53
 26 SER  HN     31 VAL  QG2     5.50            #peak 133 #SUP 0.53 #QF 0.53
 32 LYS+ HN     32 LYS+ HG3     4.57            #peak 140 #SUP 0.87 #QF 0.87
 29 PHE  HB2    32 LYS+ HN      4.92            #peak 142 #SUP 0.79 #QF 0.79
 25 TYR  HA     32 LYS+ HN      4.46            #peak 143 #SUP 0.41 #QF 0.41
 32 LYS+ HN     32 LYS+ HE2     5.50            #peak 145 #SUP 0.92 #QF 0.50
 32 LYS+ HN     32 LYS+ HE3     5.50            #peak 145 #SUP 0.92 #QF 0.50
 31 VAL  HB     32 LYS+ HN      4.05            #peak 146 #SUP 0.93 #QF 0.93
 32 LYS+ HN     32 LYS+ HG2     4.57            #peak 150 #SUP 0.99 #QF 0.99
 31 VAL  QG2    32 LYS+ HN      3.46            #peak 151 #SUP 0.86 #QF 0.86
 41 TYR  HA     43 CYS HN      4.45            #peak 153 #SUP 0.55 #QF 0.55
 42 HIS  HA     43 CYS HN      3.17            #peak 156 #SUP 0.75 #QF 0.75
 42 HIS  HB3    43 CYS HN      4.55            #peak 165 #SUP 0.98 #QF 0.98
 41 TYR  HB3    43 CYS HN      3.46            #peak 168 #SUP 0.28 #QF 0.28
 17 ASP- HN     17 ASP- HB2     3.16            #peak 169 #SUP 0.41 #QF 0.41
 17 ASP- HN    100 NAG  H81     4.90            #peak 172 #SUP 0.23 #QF 0.23
 17 ASP- HN     18 SER HA      5.32            #peak 174 #SUP 0.85 #QF 0.85
 16 TYR  HB2    17 ASP- HN      3.33            #peak 175 #SUP 0.81 #QF 0.81
  4 TRP  HB2     5 CYS HN      3.79            #peak 181 #SUP 0.97 #QF 0.97
  5 CYS HN     23 TYR  HB2     5.19            #peak 182 #SUP 0.40 #QF 0.40
  5 CYS HN      5 CYS HB2     2.83            #peak 183 #SUP 0.72 #QF 0.72
  2 PRO  HG3     5 CYS HN      4.76            #peak 184 #SUP 0.91 #QF 0.32
  2 PRO  HB2     5 CYS HN      4.30            #peak 188 #SUP 0.91 #QF 0.91
 20 THR  HN     20 THR  HA      2.92            #peak 191 #SUP 0.82 #QF 0.82
 19 GLY  HA1    20 THR  HN      3.09            #peak 192 #SUP 0.72 #QF 0.72
 17 ASP- HB3    20 THR  HN      3.73            #peak 193 #SUP 0.87 #QF 0.62
 17 ASP- HA     20 THR  HN      4.56            #peak 194 #SUP 0.92 #QF 0.92
 18 SER HA    100 NAG  H2      4.17            #peak 195 #SUP 0.75 #QF 0.49
  8 THR  HN      8 THR  HB      3.03            #peak 199 #SUP 0.86 #QF 0.65
  7 TYR  HB3     8 THR  HN      3.41            #peak 201 #SUP 0.89 #QF 0.89
 41 TYR  HA     42 HIS  HN      3.38            #peak 220 #SUP 0.83 #QF 0.76
 41 TYR  HB2    42 HIS  HN      4.72            #peak 224 #SUP 0.72 #QF 0.72
  8 THR  HN      9 LEU  HA      5.50            #peak 227 #SUP 0.65 #QF 0.41
  9 LEU  HA     11 MET  HN      5.50            #peak 227 #SUP 0.65 #QF 0.41
 34 SER  HN     34 SER  HB3     3.99            #peak 230 #SUP 0.42 #QF 0.42
 41 TYR  HB3    42 HIS  HN      4.39            #peak 235 #SUP 0.77 #QF 0.77
  9 LEU  HB2    11 MET  HN      4.17            #peak 239 #SUP 0.80 #QF 0.80
 26 SER  HA     27 HIS  HN      3.14            #peak 240 #SUP 0.77 #QF 0.77
 27 HIS  HN     28 CYS HB3     5.50            #peak 242 #SUP 0.71 #QF 0.71
 25 TYR  HA     27 HIS  HN      3.98            #peak 244 #SUP 0.98 #QF 0.63
 27 HIS  HN     27 HIS  HB2     3.26            #peak 250 #SUP 0.75 #QF 0.75
 11 MET  HN     11 MET  HG2     3.76            #peak 252 #SUP 0.90 #QF 0.90
 11 MET  HN     11 MET  HG3     3.76            #peak 253 #SUP 0.74 #QF 0.74
 11 MET  HN     11 MET  HB3     3.64            #peak 254 #SUP 0.97 #QF 0.97
  9 LEU  HB3    11 MET  HN      4.92            #peak 255 #SUP 0.77 #QF 0.77
 11 MET  HN     11 MET  QE      3.18            #peak 256 #SUP 0.97 #QF 0.97
 27 HIS  HN     31 VAL  QG2     5.50            #peak 257 #SUP 0.93 #QF 0.23
 11 MET  HN     24 MET  QE      5.50            #peak 261 #SUP 0.70 #QF 0.70
  6 TRP  HB2     7 TYR  HN      3.61            #peak 264 #SUP 0.89 #QF 0.89
  7 TYR  HN      7 TYR  HB2     3.25            #peak 265 #SUP 0.88 #QF 0.88
  5 CYS HB3     7 TYR  HN      5.15            #peak 266 #SUP 0.87 #QF 0.87
  6 TRP  HA      7 TYR  HN      3.56            #peak 267 #SUP 0.98 #QF 0.98
  8 THR  HB      9 LEU  HN      4.05            #peak 269 #SUP 0.90 #QF 0.90
  9 LEU  HN     10 ALA  HA      5.04            #peak 270 #SUP 0.95 #QF 0.95
  8 THR  HA      9 LEU  HN      3.25            #peak 272 #SUP 0.95 #QF 0.95
  9 LEU  HN      9 LEU  HB2     2.91            #peak 275 #SUP 0.96 #QF 0.96
  7 TYR  HN     11 MET  QE      5.11            #peak 279 #SUP 0.97 #QF 0.53
  9 LEU  HN     10 ALA  QB      5.50            #peak 279 #SUP 0.97 #QF 0.53
  9 LEU  HN     11 MET  QE      5.50            #peak 279 #SUP 0.97 #QF 0.53
 29 PHE  HN     31 VAL  QG2     4.05            #peak 283 #SUP 0.24 #QF 0.24
 15 GLY  HN     16 TYR  HB2     4.72            #peak 284 #SUP 0.67 #QF 0.67
 14 ALA  HA     15 GLY  HN      3.17            #peak 285 #SUP 0.81 #QF 0.81
 24 MET  HA     29 PHE  HN      3.45            #peak 287 #SUP 0.76 #QF 0.76
 15 GLY  HN     15 GLY  HA1     2.87            #peak 289 #SUP 0.93 #QF 0.93
 28 CYS HB3    29 PHE  HN      3.90            #peak 294 #SUP 0.82 #QF 0.82
 14 ALA  QB     15 GLY  HN      3.65            #peak 295 #SUP 0.61 #QF 0.61
 29 PHE  HN     30 GLY  HA1     5.12            #peak 297 #SUP 0.74 #QF 0.29
 27 HIS  HA     29 PHE  HN      4.62            #peak 299 #SUP 0.98 #QF 0.62
 12 CYS HA     14 ALA  HN      4.43            #peak 306 #SUP 0.93 #QF 0.90
 14 ALA  HN     14 ALA  QB      2.68            #peak 313 #SUP 0.53 #QF 0.53
 14 ALA  HA     16 TYR  HN      5.15            #peak 320 #SUP 0.95 #QF 0.95
 15 GLY  HA1    16 TYR  HN      3.56            #peak 321 #SUP 0.96 #QF 0.96
 14 ALA  QB     16 TYR  HN      3.91            #peak 323 #SUP 0.71 #QF 0.71
 12 CYS HA     16 TYR  HN      4.45            #peak 324 #SUP 0.83 #QF 0.83
 16 TYR  HN     16 TYR  HB2     2.99            #peak 328 #SUP 0.97 #QF 0.97
 15 GLY  HA2    16 TYR  HN      3.36            #peak 329 #SUP 0.72 #QF 0.72
 27 HIS  HA     30 GLY  HN      5.22            #peak 331 #SUP 0.81 #QF 0.42
 10 ALA  HN     10 ALA  QB      2.95            #peak 335 #SUP 0.99 #QF 0.99
  4 TRP  HN     23 TYR  HB3     5.50            #peak 337 #SUP 0.97 #QF 0.82
  7 TYR  HB3    10 ALA  HN      5.50            #peak 337 #SUP 0.97 #QF 0.82
 30 GLY  HN     30 GLY  HA1     2.40            #peak 341 #SUP 0.53 #QF 0.53
 29 PHE  HB2    30 GLY  HN      3.85            #peak 342 #SUP 0.71 #QF 0.43
 29 PHE  HB2    31 VAL  HN      4.17            #peak 342 #SUP 0.71 #QF 0.43
 28 CYS HB2    30 GLY  HN      5.50            #peak 343 #SUP 0.91 #QF 0.91
 29 PHE  HB3    30 GLY  HN      4.13            #peak 344 #SUP 0.94 #QF 0.75
 29 PHE  HB3    31 VAL  HN      4.41            #peak 344 #SUP 0.94 #QF 0.75
 28 CYS HB3    30 GLY  HN      5.50            #peak 345 #SUP 0.72 #QF 0.72
 31 VAL  HN     31 VAL  QG2     2.99            #peak 348 #SUP 0.85 #QF 0.53
  3 ALA  HA      4 TRP  HN      3.33            #peak 350 #SUP 0.97 #QF 0.97
  4 TRP  HN      4 TRP  HB2     3.15            #peak 353 #SUP 0.94 #QF 0.94
  2 PRO  HB3     4 TRP  HN      5.50            #peak 363 #SUP 0.65 #QF 0.53
  5 CYS HB2     6 TRP  HN      3.66            #peak 368 #SUP 0.98 #QF 0.98
  5 CYS HB3     6 TRP  HN      3.93            #peak 369 #SUP 0.99 #QF 0.99
  6 TRP  HA      6 TRP  HE3     3.73            #peak 371 #SUP 0.67 #QF 0.67
  6 TRP  HB3     6 TRP  HE3     3.73            #peak 372 #SUP 0.62 #QF 0.62
  6 TRP  HE3     7 TYR  HA      4.49            #peak 378 #SUP 0.82 #QF 0.82
  4 TRP  HE3    23 TYR  HA      5.50            #peak 379 #SUP 0.44 #QF 0.44
  4 TRP  HB3     4 TRP  HE3     3.78            #peak 380 #SUP 0.81 #QF 0.81
  2 PRO  HG3     4 TRP  HE3     5.43            #peak 393 #SUP 0.50 #QF 0.50
  2 PRO  HA      4 TRP  HZ2     5.50            #peak 396 #SUP 0.94 #QF 0.94
  2 PRO  HB3     4 TRP  HZ2     5.50            #peak 397 #SUP 0.91 #QF 0.91
  2 PRO  HG3     4 TRP  HZ2     5.14            #peak 398 #SUP 0.96 #QF 0.96
  2 PRO  HB2     4 TRP  HD1     4.40            #peak 400 #SUP 0.98 #QF 0.98
  4 TRP  HB3     4 TRP  HD1     3.56            #peak 401 #SUP 0.94 #QF 0.94
  3 ALA  QB      4 TRP  HD1     4.87            #peak 403 #SUP 0.89 #QF 0.89
 33 HIS  HA     33 HIS  HD2     5.50            #peak 405 #SUP 0.98 #QF 0.56
 42 HIS  HA     42 HIS  HD2     5.50            #peak 405 #SUP 0.98 #QF 0.56
 16 TYR  HA     16 TYR  QD      3.52            #peak 432 #SUP 0.71 #QF 0.71
 14 ALA  QB     16 TYR  QD      3.92            #peak 436 #SUP 0.79 #QF 0.79
  6 TRP  HA      6 TRP  HD1     4.70            #peak 438 #SUP 0.98 #QF 0.97
 14 ALA  HA     16 TYR  QD      5.50            #peak 439 #SUP 0.64 #QF 0.64
  6 TRP  HB2     6 TRP  HD1     3.33            #peak 442 #SUP 0.78 #QF 0.78
 28 CYS HA     29 PHE  QE      5.50            #peak 443 #SUP 0.36 #QF 0.36
  5 CYS HB2    29 PHE  QE      4.78            #peak 444 #SUP 0.46 #QF 0.46
 41 TYR  HA     41 TYR  QD      4.20            #peak 448 #SUP 0.83 #QF 0.61
 11 MET  HB2    16 TYR  QD      4.91            #peak 450 #SUP 0.94 #QF 0.91
 11 MET  HB2    29 PHE  QE      5.38            #peak 450 #SUP 0.94 #QF 0.91
 11 MET  QE     29 PHE  QE      4.57            #peak 453 #SUP 0.78 #QF 0.22
 12 CYS HA     16 TYR  QD      5.50            #peak 455 #SUP 0.85 #QF 0.85
 15 GLY  HA2    16 TYR  QD      5.50            #peak 456 #SUP 0.96 #QF 0.41
 11 MET  HA     16 TYR  QD      4.80            #peak 457 #SUP 0.96 #QF 0.90
  8 THR  HA     29 PHE  QE      5.28            #peak 457 #SUP 0.96 #QF 0.90
 11 MET  HB3    16 TYR  QD      4.49            #peak 462 #SUP 0.36 #QF 0.36
 41 TYR  QD     43 CYS HA      4.05            #peak 463 #SUP 0.55 #QF 0.55
  7 TYR  HA      7 TYR  QD      4.08            #peak 464 #SUP 0.65 #QF 0.42
  5 CYS HA     29 PHE  QE      4.59            #peak 464 #SUP 0.65 #QF 0.42
 28 CYS HB2    29 PHE  QE      5.05            #peak 475 #SUP 0.59 #QF 0.41
  7 TYR  QD      9 LEU  HA      5.50            #peak 479 #SUP 0.96 #QF 0.64
  9 LEU  HA     29 PHE  QE      5.50            #peak 479 #SUP 0.96 #QF 0.64
 29 PHE  HA     29 PHE  QE      4.90            #peak 480 #SUP 0.79 #QF 0.44
 23 TYR  HB2    29 PHE  QE      4.78            #peak 484 #SUP 0.67 #QF 0.22
 24 MET  HG2    29 PHE  QE      4.04            #peak 488 #SUP 0.35 #QF 0.35
 24 MET  HG3    29 PHE  QE      4.63            #peak 490 #SUP 0.85 #QF 0.85
  5 CYS HB3    29 PHE  QE      4.36            #peak 492 #SUP 0.78 #QF 0.78
 24 MET  HB2    29 PHE  QE      5.50            #peak 493 #SUP 0.83 #QF 0.83
 24 MET  HB3    29 PHE  QE      5.34            #peak 494 #SUP 0.82 #QF 0.82
 28 CYS HB3    29 PHE  QE      4.35            #peak 495 #SUP 0.70 #QF 0.70
  9 LEU  HB2    29 PHE  QE      4.67            #peak 496 #SUP 0.89 #QF 0.66
  9 LEU  HB3    29 PHE  QE      5.50            #peak 497 #SUP 0.71 #QF 0.71
  7 TYR  QD      9 LEU  HG      5.50            #peak 498 #SUP 0.53 #QF 0.53
 41 TYR  QD     42 HIS  HA      4.21            #peak 503 #SUP 0.42 #QF 0.42
 24 MET  HA     29 PHE  QE      3.94            #peak 504 #SUP 0.52 #QF 0.52
 24 MET  QE     29 PHE  QE      4.12            #peak 513 #SUP 0.51 #QF 0.51
  4 TRP  HA     23 TYR  QD      4.51            #peak 516 #SUP 0.40 #QF 0.21
 28 CYS HA     29 PHE  QD      4.96            #peak 516 #SUP 0.40 #QF 0.21
 22 ASP- HA     25 TYR  QD      4.71            #peak 523 #SUP 0.57 #QF 0.57
 25 TYR  QD     31 VAL  QG2     4.20            #peak 527 #SUP 0.69 #QF 0.26
 29 PHE  HA     29 PHE  QD      3.23            #peak 528 #SUP 0.90 #QF 0.90
  5 CYS HA     23 TYR  QD      4.12            #peak 529 #SUP 0.55 #QF 0.55
 23 TYR  HA     23 TYR  QD      2.79            #peak 538 #SUP 0.98 #QF 0.87
 24 MET  HA     29 PHE  QD      3.07            #peak 538 #SUP 0.98 #QF 0.87
  5 CYS HB3    29 PHE  QD      4.85            #peak 542 #SUP 0.98 #QF 0.98
 28 CYS HB3    29 PHE  QD      3.68            #peak 543 #SUP 0.73 #QF 0.73
  2 PRO  HG3     4 TRP  HH2     4.38            #peak 544 #SUP 0.29 #QF 0.29
 25 TYR  QD     32 LYS+ HB2     5.50            #peak 545 #SUP 0.92 #QF 0.71
 23 TYR  QD     24 MET  QE      3.32            #peak 546 #SUP 0.81 #QF 0.81
 25 TYR  QD     32 LYS+ HB3     5.50            #peak 548 #SUP 0.88 #QF 0.43
 10 ALA  QB     29 PHE  QD      5.50            #peak 551 #SUP 0.92 #QF 0.61
  8 THR  HA     29 PHE  QD      3.94            #peak 555 #SUP 0.87 #QF 0.87
 27 HIS  HB2    27 HIS  HD2     3.88            #peak 557 #SUP 0.97 #QF 0.44
 24 MET  HB2    25 TYR  QD      4.44            #peak 560 #SUP 0.99 #QF 0.99
 24 MET  HB3    25 TYR  QD      4.37            #peak 561 #SUP 1.00 #QF 0.98
 24 MET  HB3    29 PHE  QD      5.04            #peak 561 #SUP 1.00 #QF 0.98
 27 HIS  HA     27 HIS  HD2     4.91            #peak 563 #SUP 0.78 #QF 0.48
  2 PRO  HB3     4 TRP  HZ3     5.50            #peak 570 #SUP 0.90 #QF 0.90
 29 PHE  QD     31 VAL  QG2     4.39            #peak 573 #SUP 0.34 #QF 0.34
 24 MET  HG2    25 TYR  QD      5.50            #peak 576 #SUP 0.52 #QF 0.52
 24 MET  HG3    25 TYR  QD      5.50            #peak 577 #SUP 0.53 #QF 0.53
 14 ALA  QB     16 TYR  HE2     4.15            #peak 586 #SUP 0.58 #QF 0.58
 24 MET  QE     29 PHE  HZ      4.46            #peak 587 #SUP 0.66 #QF 0.66
 16 TYR  HB2    16 TYR  HE2     4.88            #peak 588 #SUP 0.79 #QF 0.79
  5 CYS HB2    29 PHE  HZ      5.42            #peak 589 #SUP 0.99 #QF 0.99
  5 CYS HB3    29 PHE  HZ      5.08            #peak 590 #SUP 0.99 #QF 0.55
  6 TRP  HA     29 PHE  HZ      5.50            #peak 592 #SUP 0.82 #QF 0.82
 16 TYR  HB3    16 TYR  HE1     4.89            #peak 593 #SUP 0.80 #QF 0.80
 22 ASP- HB2    23 TYR  QE      5.02            #peak 600 #SUP 0.99 #QF 0.88
 23 TYR  HA     23 TYR  QE      4.90            #peak 603 #SUP 0.94 #QF 0.94
 24 MET  HG2    25 TYR  QE      5.50            #peak 609 #SUP 0.51 #QF 0.51
 25 TYR  HA     25 TYR  QE      5.50            #peak 611 #SUP 0.91 #QF 0.91
 25 TYR  QE     32 LYS+ HA      5.50            #peak 612 #SUP 0.75 #QF 0.75
 21 CYS HB2    25 TYR  QE      4.65            #peak 613 #SUP 0.75 #QF 0.75
 12 CYS HB2    17 ASP- HA      5.50            #peak 630 #SUP 0.34 #QF 0.34
 28 CYS HN     29 PHE  HA      4.77            #peak 671 #SUP 0.44 #QF 0.44
 30 GLY  HA1    31 VAL  QG2     5.50            #peak 696 #SUP 0.68 #QF 0.44
 30 GLY  HA2    31 VAL  QG2     5.50            #peak 696 #SUP 0.68 #QF 0.44
  4 TRP  HB2    24 MET  QE      5.10            #peak 729 #SUP 0.91 #QF 0.91
 28 CYS HB3    29 PHE  HB2     4.64            #peak 735 #SUP 0.55 #QF 0.55
 12 CYS HB3    24 MET  QE      5.08            #peak 736 #SUP 0.97 #QF 0.52
 29 PHE  HB2    31 VAL  QG2     3.56            #peak 737 #SUP 0.93 #QF 0.93
 23 TYR  HB2    24 MET  QE      3.61            #peak 739 #SUP 0.78 #QF 0.78
 23 TYR  HB2    28 CYS HB3     4.71            #peak 742 #SUP 0.38 #QF 0.38
 11 MET  HB3    16 TYR  HB3     4.02            #peak 751 #SUP 0.71 #QF 0.71
 21 CYS HB3    24 MET  QE      5.50            #peak 752 #SUP 0.95 #QF 0.45
 11 MET  HB3    16 TYR  HB2     3.84            #peak 756 #SUP 0.49 #QF 0.49
 24 MET  HG2    24 MET  QE      3.40            #peak 779 #SUP 0.59 #QF 0.59
 17 ASP- HB2    20 THR  QG2     3.80            #peak 780 #SUP 0.97 #QF 0.30
  5 CYS HB2    28 CYS HB3     4.46            #peak 781 #SUP 0.86 #QF 0.86
  2 PRO  HG3     5 CYS HB2     5.50            #peak 784 #SUP 0.97 #QF 0.68
 24 MET  HG3    24 MET  QE      3.75            #peak 785 #SUP 0.67 #QF 0.67
 29 PHE  HB3    31 VAL  QG1     4.74            #peak 788 #SUP 0.93 #QF 0.76
 29 PHE  HB3    31 VAL  QG2     5.44            #peak 788 #SUP 0.93 #QF 0.76
  5 CYS HB3    28 CYS HB3     3.30            #peak 795 #SUP 0.49 #QF 0.49
 24 MET  HB2    24 MET  QE      3.54            #peak 808 #SUP 0.84 #QF 0.84
  8 THR  HA     29 PHE  HB2     4.75            #peak 813 #SUP 0.93 #QF 0.93
  8 THR  HA     10 ALA  HN      4.16            #peak 859 #SUP 0.75 #QF 0.75
 17 ASP- HN     19 GLY  HA2     5.50            #peak 865 #SUP 0.67 #QF 0.45
 43 CYS HN    200 NAG  HO6     5.50            #peak 865 #SUP 0.67 #QF 0.45
 11 MET  HA     14 ALA  HN      4.99            #peak 866 #SUP 0.88 #QF 0.88
 34 SER  HN     34 SER  HB2     3.99            #peak 880 #SUP 0.95 #QF 0.48
 18 SER HN    100 NAG  HC2     5.50            #peak 882 #SUP 0.88 #QF 0.88
  4 TRP  HB3     5 CYS HN      4.06            #peak 896 #SUP 0.87 #QF 0.87
  4 TRP  HN      4 TRP  HB3     3.77            #peak 897 #SUP 0.76 #QF 0.76
  6 TRP  HN      6 TRP  HB3     3.49            #peak 902 #SUP 0.86 #QF 0.86
 41 TYR  QD     43 CYS HB2     4.97            #peak 903 #SUP 0.95 #QF 0.92
  6 TRP  HB3     7 TYR  HN      3.29            #peak 904 #SUP 0.84 #QF 0.84
  4 TRP  HB2     4 TRP  HE3     3.62            #peak 906 #SUP 0.79 #QF 0.41
  4 TRP  HB2    23 TYR  QD      3.57            #peak 918 #SUP 0.79 #QF 0.79
 21 CYS HB2    22 ASP- HN      3.21            #peak 919 #SUP 0.48 #QF 0.48
  4 TRP  HB2    23 TYR  QE      4.73            #peak 927 #SUP 0.29 #QF 0.29
  6 TRP  HN      6 TRP  HB2     3.06            #peak 939 #SUP 0.89 #QF 0.89
 12 CYS HB3    20 THR  HN      5.23            #peak 948 #SUP 0.91 #QF 0.91
 41 TYR  QE     42 HIS  HB2     5.45            #peak 950 #SUP 0.88 #QF 0.88
  4 TRP  HE3    23 TYR  HB2     5.50            #peak 954 #SUP 0.88 #QF 0.26
 23 TYR  HB2    24 MET  HN      3.55            #peak 955 #SUP 0.75 #QF 0.55
 42 HIS  HB2    43 CYS HN      4.55            #peak 964 #SUP 0.32 #QF 0.32
 25 TYR  HN     25 TYR  HB2     2.72            #peak 966 #SUP 0.70 #QF 0.70
 29 PHE  HN     29 PHE  HB2     3.55            #peak 967 #SUP 0.47 #QF 0.47
 21 CYS HB2    25 TYR  QD      2.68            #peak 969 #SUP 0.86 #QF 0.21
 23 TYR  HN     23 TYR  HB2     2.78            #peak 972 #SUP 0.87 #QF 0.87
 12 CYS HB2    14 ALA  HN      5.12            #peak 979 #SUP 0.64 #QF 0.64
 41 TYR  QE     42 HIS  HB3     5.45            #peak 980 #SUP 0.92 #QF 0.78
 12 CYS HB2    20 THR  HN      5.50            #peak 983 #SUP 0.89 #QF 0.84
 12 CYS HB2    17 ASP- HN      5.50            #peak 994 #SUP 0.67 #QF 0.67
  7 TYR  HB3     9 LEU  HN      2.97            #peak 1000 #SUP 0.87 #QF 0.87
 22 ASP- HB2    23 TYR  HN      2.81            #peak 1011 #SUP 0.41 #QF 0.41
 21 CYS HB3    25 TYR  QD      4.49            #peak 1012 #SUP 0.86 #QF 0.75
 16 TYR  HB3    17 ASP- HN      3.61            #peak 1014 #SUP 0.66 #QF 0.66
 13 GLY  HN     16 TYR  HB3     5.50            #peak 1022 #SUP 0.91 #QF 0.91
 41 TYR  HN     41 TYR  HB3     3.28            #peak 1024 #SUP 0.88 #QF 0.88
 14 ALA  HN     16 TYR  HB3     5.29            #peak 1026 #SUP 0.91 #QF 0.91
 22 ASP- HN     22 ASP- HB2     2.95            #peak 1040 #SUP 0.46 #QF 0.46
 16 TYR  HN     16 TYR  HB3     3.49            #peak 1043 #SUP 0.77 #QF 0.77
 41 TYR  QD     43 CYS HB3     4.97            #peak 1044 #SUP 0.98 #QF 0.91
  7 TYR  HB2     9 LEU  HN      4.36            #peak 1046 #SUP 0.84 #QF 0.78
 22 ASP- HN     22 ASP- HB3     3.61            #peak 1051 #SUP 0.78 #QF 0.78
 17 ASP- HB3    18 SER HN      3.26            #peak 1052 #SUP 0.86 #QF 0.48
 22 ASP- HB3    23 TYR  HN      3.66            #peak 1052 #SUP 0.86 #QF 0.48
 17 ASP- HB3    19 GLY  HN      4.99            #peak 1056 #SUP 0.45 #QF 0.45
 13 GLY  HN     16 TYR  HB2     4.82            #peak 1058 #SUP 0.42 #QF 0.42
 12 CYS HN     16 TYR  HB2     5.50            #peak 1067 #SUP 0.92 #QF 0.92
 13 GLY  HN     17 ASP- HB3     5.50            #peak 1068 #SUP 0.79 #QF 0.70
 41 TYR  HB2    43 CYS HN      5.13            #peak 1070 #SUP 0.57 #QF 0.57
 14 ALA  HN     16 TYR  HB2     4.80            #peak 1073 #SUP 0.95 #QF 0.91
 22 ASP- HB3    23 TYR  QD      3.72            #peak 1080 #SUP 0.52 #QF 0.52
 28 CYS HB2    29 PHE  QD      4.25            #peak 1093 #SUP 0.69 #QF 0.53
 28 CYS HB2    29 PHE  HN      3.86            #peak 1097 #SUP 0.87 #QF 0.87
 24 MET  HN     24 MET  HG2     4.01            #peak 1107 #SUP 0.80 #QF 0.80
 17 ASP- HB2    20 THR  HN      3.07            #peak 1112 #SUP 0.35 #QF 0.35
  4 TRP  HN      5 CYS HB2     5.50            #peak 1117 #SUP 0.83 #QF 0.83
 24 MET  HG3    29 PHE  QD      3.72            #peak 1122 #SUP 0.56 #QF 0.56
 29 PHE  HN     29 PHE  HB3     3.72            #peak 1126 #SUP 0.53 #QF 0.53
  5 CYS HN      5 CYS HB3     3.68            #peak 1138 #SUP 0.64 #QF 0.64
 24 MET  HB2    25 TYR  HN      3.37            #peak 1150 #SUP 0.84 #QF 0.84
 24 MET  HN     24 MET  HB2     3.04            #peak 1151 #SUP 0.84 #QF 0.84
 24 MET  HB3    25 TYR  HN      3.59            #peak 1154 #SUP 0.70 #QF 0.70
 24 MET  HN     24 MET  HB3     3.63            #peak 1155 #SUP 0.70 #QF 0.70
 18 SER HA    100 NAG  H5      5.50            #peak 1162 #SUP 0.97 #QF 0.97
  1 LYS+ HA      2 PRO  HD3     3.31            #peak 1173 #SUP 0.68 #QF 0.68
  6 TRP  HB3     7 TYR  HA      4.90            #peak 1179 #SUP 0.38 #QF 0.38
  4 TRP  HB2    23 TYR  HA      4.94            #peak 1184 #SUP 0.71 #QF 0.71
  4 TRP  HB2     5 CYS HA      4.04            #peak 1185 #SUP 0.67 #QF 0.67
 21 CYS HB2    22 ASP- HA      4.63            #peak 1198 #SUP 0.98 #QF 0.97
 24 MET  HA     29 PHE  HB2     3.45            #peak 1200 #SUP 0.86 #QF 0.86
 10 ALA  HA     29 PHE  HB2     4.74            #peak 1201 #SUP 0.75 #QF 0.75
 29 PHE  HB2    30 GLY  HA1     5.50            #peak 1202 #SUP 0.99 #QF 0.90
 29 PHE  HB2    30 GLY  HA2     5.50            #peak 1202 #SUP 0.99 #QF 0.90
  5 CYS HA     23 TYR  HB2     3.92            #peak 1214 #SUP 0.54 #QF 0.54
 12 CYS HB2    13 GLY  HA1     5.50            #peak 1215 #SUP 0.71 #QF 0.38
 12 CYS HB2    13 GLY  HA2     5.50            #peak 1215 #SUP 0.71 #QF 0.38
 12 CYS HA     12 CYS HB2     2.69            #peak 1216 #SUP 0.60 #QF 0.60
 22 ASP- HA     25 TYR  HB2     3.72            #peak 1222 #SUP 0.33 #QF 0.33
  7 TYR  HB3     8 THR  HA      5.06            #peak 1227 #SUP 0.88 #QF 0.52
 12 CYS HA     16 TYR  HB3     3.97            #peak 1241 #SUP 0.58 #QF 0.58
 11 MET  HA     16 TYR  HB3     4.83            #peak 1243 #SUP 0.84 #QF 0.84
 22 ASP- HB2    23 TYR  HA      5.32            #peak 1247 #SUP 0.77 #QF 0.77
 16 TYR  HA     16 TYR  HB3     2.98            #peak 1250 #SUP 0.97 #QF 0.65
 21 CYS HA     22 ASP- HB2     5.05            #peak 1256 #SUP 0.25 #QF 0.25
 17 ASP- HB3    18 SER HA      4.67            #peak 1258 #SUP 0.47 #QF 0.47
 17 ASP- HB3    19 GLY  HA1     5.50            #peak 1261 #SUP 0.65 #QF 0.24
 11 MET  HA     16 TYR  HB2     4.05            #peak 1262 #SUP 0.51 #QF 0.51
 12 CYS HA     16 TYR  HB2     4.70            #peak 1264 #SUP 0.87 #QF 0.76
 22 ASP- HB3    23 TYR  HA      3.82            #peak 1267 #SUP 0.98 #QF 0.98
 32 LYS+ HA     32 LYS+ HE2     5.50            #peak 1271 #SUP 0.90 #QF 0.62
 32 LYS+ HA     32 LYS+ HE3     5.50            #peak 1271 #SUP 0.90 #QF 0.62
 17 ASP- HB3    20 THR  HB      4.83            #peak 1276 #SUP 0.85 #QF 0.60
 17 ASP- HA     17 ASP- HB3     3.02            #peak 1278 #SUP 0.44 #QF 0.44
 26 SER  HA     27 HIS  HB2     4.40            #peak 1282 #SUP 0.59 #QF 0.36
 24 MET  HA     28 CYS HB2     3.81            #peak 1284 #SUP 0.78 #QF 0.78
 24 MET  HA     24 MET  HG2     3.60            #peak 1288 #SUP 0.92 #QF 0.92
  1 LYS+ HA      5 CYS HB2     5.20            #peak 1293 #SUP 0.62 #QF 0.36
 17 ASP- HB2    20 THR  HA      5.50            #peak 1293 #SUP 0.62 #QF 0.36
 24 MET  HA     24 MET  HG3     3.32            #peak 1298 #SUP 0.62 #QF 0.62
  5 CYS HA     24 MET  HG3     5.33            #peak 1299 #SUP 0.83 #QF 0.83
 24 MET  HA     29 PHE  HB3     4.96            #peak 1305 #SUP 0.97 #QF 0.97
 24 MET  HA     24 MET  HB3     2.94            #peak 1317 #SUP 0.70 #QF 0.70
  8 THR  HN      9 LEU  HB2     5.50            #peak 1327 #SUP 0.93 #QF 0.93
  9 LEU  HB2    10 ALA  HN      3.30            #peak 1328 #SUP 0.90 #QF 0.90
  9 LEU  HB2    29 PHE  HZ      5.50            #peak 1329 #SUP 0.81 #QF 0.81
  9 LEU  HB2    10 ALA  HA      5.41            #peak 1331 #SUP 0.98 #QF 0.98
 32 LYS+ HN     32 LYS+ HB3     3.70            #peak 1349 #SUP 0.82 #QF 0.82
  9 LEU  HN      9 LEU  HB3     3.55            #peak 1351 #SUP 0.92 #QF 0.92
  9 LEU  HB3    10 ALA  HN      3.49            #peak 1352 #SUP 0.87 #QF 0.87
  9 LEU  HN      9 LEU  HG      4.02            #peak 1361 #SUP 0.68 #QF 0.68
  9 LEU  HA      9 LEU  HG      3.98            #peak 1364 #SUP 0.89 #QF 0.89
 32 LYS+ HN     32 LYS+ HB2     3.70            #peak 1370 #SUP 0.84 #QF 0.84
  3 ALA  QB      4 TRP  HA      5.40            #peak 1391 #SUP 0.65 #QF 0.65
  3 ALA  QB      4 TRP  HB3     5.50            #peak 1398 #SUP 0.82 #QF 0.82
  3 ALA  QB      5 CYS HN      5.50            #peak 1400 #SUP 0.85 #QF 0.27
  3 ALA  QB      4 TRP  HN      3.57            #peak 1402 #SUP 0.84 #QF 0.84
  1 LYS+ HG2     7 TYR  HA      5.50            #peak 1409 #SUP 0.64 #QF 0.23
 14 ALA  QB     15 GLY  HA2     4.78            #peak 1417 #SUP 0.98 #QF 0.98
 13 GLY  HA2    14 ALA  QB      5.50            #peak 1418 #SUP 0.99 #QF 0.84
 11 MET  HA     14 ALA  QB      5.07            #peak 1419 #SUP 0.95 #QF 0.95
 14 ALA  QB     15 GLY  HA1     5.40            #peak 1420 #SUP 0.98 #QF 0.98
 14 ALA  QB     17 ASP- HN      5.50            #peak 1426 #SUP 0.78 #QF 0.78
  1 LYS+ HG3     7 TYR  HA      5.50            #peak 1433 #SUP 0.95 #QF 0.37
 13 GLY  HA1    14 ALA  QB      5.50            #peak 1434 #SUP 0.87 #QF 0.34
 14 ALA  QB     16 TYR  HB2     3.89            #peak 1438 #SUP 0.65 #QF 0.65
  8 THR  HA     10 ALA  QB      5.50            #peak 1449 #SUP 0.97 #QF 0.68
 10 ALA  QB     11 MET  HA      5.50            #peak 1449 #SUP 0.97 #QF 0.68
 11 MET  HA     11 MET  QE      5.50            #peak 1449 #SUP 0.97 #QF 0.68
  7 TYR  HB3    11 MET  QE      5.50            #peak 1456 #SUP 0.75 #QF 0.57
 10 ALA  QB     12 CYS HN      5.50            #peak 1468 #SUP 0.99 #QF 0.91
 11 MET  QE     12 CYS HN      5.50            #peak 1468 #SUP 0.99 #QF 0.91
 10 ALA  QB     14 ALA  HN      5.50            #peak 1469 #SUP 0.54 #QF 0.54
  7 TYR  HB2    11 MET  QE      5.50            #peak 1471 #SUP 0.67 #QF 0.67
  2 PRO  HB2     4 TRP  HN      4.00            #peak 1478 #SUP 0.72 #QF 0.62
 17 ASP- HB3    20 THR  QG2     4.95            #peak 1496 #SUP 0.78 #QF 0.78
 20 THR  HN     20 THR  QG2     3.54            #peak 1499 #SUP 0.96 #QF 0.96
 12 CYS HB2    20 THR  QG2     4.60            #peak 1501 #SUP 0.48 #QF 0.48
 17 ASP- HN     20 THR  QG2     5.21            #peak 1503 #SUP 0.96 #QF 0.96
 12 CYS HB3    20 THR  QG2     5.30            #peak 1508 #SUP 0.90 #QF 0.90
 22 ASP- HB2    24 MET  QE      5.50            #peak 1509 #SUP 0.53 #QF 0.24
  4 TRP  HE3    24 MET  QE      5.50            #peak 1510 #SUP 0.93 #QF 0.93
 24 MET  QE     25 TYR  HN      4.55            #peak 1512 #SUP 0.86 #QF 0.86
  8 THR  QG2     9 LEU  HN      4.32            #peak 1516 #SUP 0.96 #QF 0.96
  8 THR  QG2    10 ALA  HN      5.50            #peak 1517 #SUP 0.97 #QF 0.79
  8 THR  QG2    30 GLY  HN      5.50            #peak 1517 #SUP 0.97 #QF 0.79
  5 CYS HA     24 MET  QE      3.86            #peak 1519 #SUP 0.66 #QF 0.66
  8 THR  QG2     9 LEU  HA      4.76            #peak 1521 #SUP 0.80 #QF 0.80
  8 THR  HA      8 THR  QG2     3.01            #peak 1522 #SUP 0.85 #QF 0.85
 23 TYR  HB3    24 MET  QE      3.78            #peak 1523 #SUP 0.65 #QF 0.65
 24 MET  HB3    24 MET  QE      4.11            #peak 1527 #SUP 0.99 #QF 0.99
 23 TYR  HN     24 MET  QE      5.38            #peak 1528 #SUP 0.99 #QF 0.93
  8 THR  QG2    29 PHE  HB2     4.56            #peak 1529 #SUP 0.91 #QF 0.91
  8 THR  HN      8 THR  QG2     3.86            #peak 1533 #SUP 0.99 #QF 0.99
 23 TYR  QE     24 MET  QE      5.50            #peak 1534 #SUP 0.91 #QF 0.91
 24 MET  HA     24 MET  QE      4.63            #peak 1537 #SUP 0.70 #QF 0.44
 24 MET  QE     28 CYS HB3     4.13            #peak 1547 #SUP 0.50 #QF 0.50
  4 TRP  HB3    23 TYR  HB3     3.74            #peak 1593 #SUP 0.61 #QF 0.61
  1 LYS+ HA      2 PRO  HD2     3.31            #peak 1604 #SUP 0.53 #QF 0.53
 16 TYR  QD     16 TYR  HE1     3.14            #peak 1619 #SUP 0.99 #QF 0.82
 16 TYR  QD     16 TYR  HE2     3.37            #peak 1619 #SUP 0.99 #QF 0.82
  6 TRP  HN     29 PHE  QE      3.50            #peak 1630 #SUP 0.36 #QF 0.36
 10 ALA  HN     29 PHE  QE      3.85            #peak 1631 #SUP 0.90 #QF 0.77
  4 TRP  HN      4 TRP  HD1     3.56            #peak 1632 #SUP 0.82 #QF 0.82
  7 TYR  QD      8 THR  HN      4.03            #peak 1634 #SUP 0.73 #QF 0.66
 16 TYR  QD     17 ASP- HN      4.83            #peak 1635 #SUP 0.88 #QF 0.88
 23 TYR  HN     23 TYR  QD      3.39            #peak 1636 #SUP 0.89 #QF 0.89
 22 ASP- HN     25 TYR  QD      4.43            #peak 1638 #SUP 0.90 #QF 0.70
 24 MET  HN     25 TYR  QD      4.74            #peak 1638 #SUP 0.90 #QF 0.70
 11 MET  HN     29 PHE  QD      4.23            #peak 1640 #SUP 0.80 #QF 0.21
 29 PHE  HN     29 PHE  QD      3.75            #peak 1641 #SUP 0.95 #QF 0.95
 10 ALA  HN     29 PHE  QD      3.62            #peak 1642 #SUP 0.57 #QF 0.57
  6 TRP  HN      7 TYR  HN      2.89            #peak 1645 #SUP 0.88 #QF 0.88
 16 TYR  HN     17 ASP- HN      3.18            #peak 1647 #SUP 0.79 #QF 0.79
 31 VAL  HN     32 LYS+ HN      3.40            #peak 1648 #SUP 0.82 #QF 0.82
  3 ALA  HN      4 TRP  HN      3.35            #peak 1649 #SUP 0.96 #QF 0.96
 28 CYS HN     29 PHE  HN      3.01            #peak 1651 #SUP 0.84 #QF 0.84
  9 LEU  HN     10 ALA  HN      3.08            #peak 1652 #SUP 0.83 #QF 0.68
 29 PHE  HN     30 GLY  HN      3.36            #peak 1653 #SUP 0.90 #QF 0.68
 10 ALA  HN     11 MET  HN      3.08            #peak 1656 #SUP 0.66 #QF 0.66
  8 THR  HN      9 LEU  HN      2.71            #peak 1657 #SUP 0.80 #QF 0.80
 26 SER  HN     27 HIS  HN      3.15            #peak 1658 #SUP 0.84 #QF 0.84
 27 HIS  HN     28 CYS HN      3.00            #peak 1659 #SUP 0.88 #QF 0.88
 19 GLY  HN     20 THR  HN      3.75            #peak 1661 #SUP 0.79 #QF 0.79
  4 TRP  HN      5 CYS HN      3.52            #peak 1662 #SUP 0.78 #QF 0.78
 18 SER HN     19 GLY  HN      3.80            #peak 1667 #SUP 0.87 #QF 0.87
 13 GLY  HN     14 ALA  HN      2.95            #peak 1671 #SUP 0.75 #QF 0.75
 11 MET  HN     12 CYS HN      3.19            #peak 1672 #SUP 0.81 #QF 0.81
 32 LYS+ HN     33 HIS  HN      5.12            #peak 1673 #SUP 0.94 #QF 0.91
 35 SER  HN     36 GLY  HN      5.35            #peak 1673 #SUP 0.94 #QF 0.91
 22 ASP- HN     23 TYR  HN      2.82            #peak 1676 #SUP 0.88 #QF 0.66
 23 TYR  HN     24 MET  HN      3.00            #peak 1676 #SUP 0.88 #QF 0.66
 25 TYR  HN     26 SER  HN      2.99            #peak 1678 #SUP 0.84 #QF 0.84
 24 MET  HN     25 TYR  HN      3.11            #peak 1679 #SUP 0.85 #QF 0.85
 11 MET  HN     11 MET  HB2     2.76            #peak 1684 #SUP 0.90 #QF 0.90
 23 TYR  HN     23 TYR  HB3     3.60            #peak 1688 #SUP 0.96 #QF 0.96
 25 TYR  HN     25 TYR  QD      3.77            #peak 1692 #SUP 0.78 #QF 0.78
 28 CYS HN     29 PHE  QD      3.57            #peak 1696 #SUP 0.95 #QF 0.95
 18 SER HN     20 THR  HN      3.07            #peak 1699 #SUP 0.79 #QF 0.79
 24 MET  HA     28 CYS HB3     4.19            #peak 1704 #SUP 0.57 #QF 0.57
 28 CYS HN     30 GLY  HN      4.45            #peak 1705 #SUP 0.67 #QF 0.67
 31 VAL  HN     31 VAL  HB      3.75            #peak 1709 #SUP 0.76 #QF 0.76
  9 LEU  HB2     9 LEU  QD1     3.27            #peak 1710 #SUP 0.88 #QF 0.82
  9 LEU  HB2     9 LEU  QD2     3.27            #peak 1710 #SUP 0.88 #QF 0.82
 33 HIS  HN     33 HIS  HD2     5.33            #peak 1713 #SUP 0.99 #QF 0.44
 10 ALA  HN     29 PHE  HZ      4.62            #peak 1714 #SUP 0.91 #QF 0.91
  7 TYR  HB2     8 THR  HN      4.26            #peak 1731 #SUP 0.86 #QF 0.50
  6 TRP  HE3     7 TYR  QE      5.50            #peak 1733 #SUP 0.84 #QF 0.84
 23 TYR  HN     23 TYR  QE      5.50            #peak 1734 #SUP 0.89 #QF 0.89
100 NAG  H2    100 NAG  H81     3.05            #peak 1735 #SUP 0.82 #QF 0.53
100 NAG  H2    100 NAG  H83     3.26            #peak 1735 #SUP 0.82 #QF 0.53
 19 GLY  HN    100 NAG  H81     4.22            #peak 1736 #SUP 0.57 #QF 0.57
 18 SER HN    100 NAG  H81     4.98            #peak 1737 #SUP 0.91 #QF 0.79
 18 SER HN    100 NAG  H82     5.36            #peak 1737 #SUP 0.91 #QF 0.79
  7 TYR  QD      9 LEU  HN      4.10            #peak 1744 #SUP 0.95 #QF 0.61
  7 TYR  HN     29 PHE  QE      4.54            #peak 1744 #SUP 0.95 #QF 0.61
  9 LEU  HN     29 PHE  QE      4.60            #peak 1744 #SUP 0.95 #QF 0.61
 31 VAL  HA     31 VAL  QG1     3.32            #peak 1748 #SUP 0.91 #QF 0.91
 31 VAL  HA     31 VAL  QG2     3.86            #peak 1749 #SUP 0.87 #QF 0.87
  9 LEU  HA      9 LEU  QD1     3.81            #peak 1750 #SUP 0.80 #QF 0.63
  9 LEU  HA      9 LEU  QD2     3.81            #peak 1750 #SUP 0.80 #QF 0.63
  3 ALA  HN      4 TRP  HA      5.18            #peak 1758 #SUP 0.81 #QF 0.81
 20 THR  HA     21 CYS HA      4.48            #peak 1760 #SUP 0.74 #QF 0.74
  4 TRP  HD1     5 CYS HN      5.21            #peak 1762 #SUP 0.89 #QF 0.89
  3 ALA  HN      4 TRP  HD1     5.33            #peak 1763 #SUP 0.99 #QF 0.99
 14 ALA  HN     16 TYR  QD      5.18            #peak 1765 #SUP 0.89 #QF 0.76
 15 GLY  HN     16 TYR  QD      5.50            #peak 1765 #SUP 0.89 #QF 0.76
 30 GLY  HA2    31 VAL  QG1     4.40            #peak 1773 #SUP 0.70 #QF 0.70
 29 PHE  HB2    31 VAL  QG1     3.99            #peak 1774 #SUP 0.49 #QF 0.49
  6 TRP  HE3     7 TYR  HN      4.67            #peak 1776 #SUP 0.99 #QF 0.99
  4 TRP  HE3     5 CYS HN      4.12            #peak 1777 #SUP 0.64 #QF 0.64
 25 TYR  HN     27 HIS  HN      5.48            #peak 1780 #SUP 0.97 #QF 0.97
  4 TRP  HN      4 TRP  HE1     5.50            #peak 1781 #SUP 0.89 #QF 0.89
  1 LYS+ HA      2 PRO  QD      2.62            #peak 1604
  1 LYS+ QB      2 PRO  QD      3.26            #peak 1340
  1 LYS+ QB      5 CYS HB2     5.34            #peak 784
  1 LYS+ QG      2 PRO  QD      4.76            #peak 723
  1 LYS+ QG      7 TYR  HN      5.34            #peak 1427
  1 LYS+ QG      7 TYR  QD      5.34            #peak 500
  1 LYS+ QD      5 CYS HN      5.34            #peak 1400
  1 LYS+ QD      6 TRP  HN      4.31            #peak 370
  1 LYS+ QD      6 TRP  HB2     5.22            #peak 732
  1 LYS+ QD      6 TRP  HB3     4.95            #peak 1404
  1 LYS+ QD      6 TRP  HE3     5.34            #peak 1381
  1 LYS+ QD      7 TYR  HN      4.69            #peak 1385
  1 LYS+ QE      7 TYR  QD      4.34            #peak 484
  6 TRP  HB3     9 LEU  QQD     5.44            #peak 727
  6 TRP  HE3     9 LEU  QQD     4.23            #peak 374
  7 TYR  HB2     9 LEU  QQD     4.98            #peak 753
  7 TYR  QD      9 LEU  QQD     3.69            #peak 502
  7 TYR  QE      9 LEU  QQD     4.48            #peak 591
  8 THR  HA      9 LEU  QQD     5.27            #peak 701
  9 LEU  HN      9 LEU  QQD     3.49            #peak 281
  9 LEU  HA      9 LEU  QQD     3.20            #peak 1750
  9 LEU  HB2     9 LEU  QQD     2.70            #peak 1710
  9 LEU  HB3     9 LEU  QQD     2.82            #peak 1711
  9 LEU  HB3    11 MET  QG      5.34            #peak 796
  9 LEU  QQD    10 ALA  HN      4.85            #peak 357
  9 LEU  QQD    11 MET  HN      5.44            #peak 257
  9 LEU  QQD    11 MET  HA      5.44            #peak 701
  9 LEU  QQD    11 MET  QG      4.94            #peak 797
 10 ALA  HN     11 MET  QG      5.34            #peak 1139
 11 MET  HN     11 MET  QG      3.11            #peak 253
 11 MET  QG     16 TYR  QD      5.34            #peak 461
 11 MET  QG     16 TYR  HE1     4.59            #peak 590
 11 MET  QG     29 PHE  QE      5.34            #peak 461
 13 GLY  QA     15 GLY  HN      4.72            #peak 297
 13 GLY  QA     17 ASP- HN      5.34            #peak 837
 13 GLY  QA     20 THR  HN      5.34            #peak 1751
 17 ASP- HB3    18 SER QB      5.34            #peak 1261
 18 SER HN     18 SER QB      3.08            #peak 117
 18 SER QB     20 THR  QG2     4.62            #peak 1759
 18 SER QB    100 NAG  H1      3.22            #peak 1603
 23 TYR  HA     26 SER  QB      3.18            #peak 1698
 23 TYR  HB2    26 SER  QB      4.93            #peak 1213
 23 TYR  HB3    26 SER  QB      3.93            #peak 1224
 24 MET  HN     26 SER  QB      5.01            #peak 29
 25 TYR  HN     26 SER  QB      4.74            #peak 7
 25 TYR  HA     32 LYS+ QG      5.34            #peak 1455
 25 TYR  HA     32 LYS+ QE      4.79            #peak 1279
 25 TYR  HB2    32 LYS+ QB      5.34            #peak 741
 25 TYR  HB3    32 LYS+ QG      5.34            #peak 1456
 25 TYR  HB3    32 LYS+ QD      5.34            #peak 743
 25 TYR  QD     32 LYS+ QD      4.60            #peak 1379
 25 TYR  QD     32 LYS+ QE      4.38            #peak 541
 26 SER  HN     26 SER  QB      2.53            #peak 125
 27 HIS  HN     32 LYS+ QE      5.34            #peak 1078
 27 HIS  HD2    32 LYS+ QB      5.34            #peak 548
 31 VAL  HN     32 LYS+ QB      4.61            #peak 1362
 31 VAL  QG2    32 LYS+ QE      5.34            #peak 768
 32 LYS+ HN     32 LYS+ QB      3.03            #peak 1370
 32 LYS+ HN     32 LYS+ QD      5.34            #peak 1376
 32 LYS+ HA     32 LYS+ QD      5.34            #peak 1380
 32 LYS+ HA     33 HIS  QB      5.04            #peak 1238
 32 LYS+ QB     32 LYS+ QE      4.68            #peak 766
 32 LYS+ QB     33 HIS  HN      4.15            #peak 59
 32 LYS+ QG     32 LYS+ QD      2.34            #peak 1539
 32 LYS+ QD     33 HIS  HN      5.34            #peak 51
 33 HIS  QB     34 SER  HN      4.33            #peak 936
 33 HIS  QB     34 SER  QB      5.18            #peak 1202
 34 SER  HN     34 SER  QB      3.21            #peak 230
 35 SER  HN     35 SER  QB      3.52            #peak 63
 40 SER  HN     40 SER  QB      3.29            #peak 110
 41 TYR  HA     42 HIS  QB      4.98            #peak 1198
 41 TYR  QD     42 HIS  QB      5.34            #peak 976
 41 TYR  QD     43 CYS QB      4.16            #peak 903
 41 TYR  QE     42 HIS  QB      4.74            #peak 980
 41 TYR  QE     43 CYS QB      5.34            #peak 606
 42 HIS  HN     42 HIS  QB      3.02            #peak 238
 42 HIS  QB     43 CYS HN      3.85            #peak 165
 43 CYS HN     43 CYS QB      3.65            #peak 159
 43 CYS HA     43 CYS QB      2.63            #peak 1181
 43 CYS QB    200 NAG  HO6     5.30            #peak 1255

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H        LYS   1   1.239  -1.730  -3.387
    2    HA   LYS   1           HA       LYS   1   2.275  -1.897  -5.592
    3    HB2  LYS   1           1HB      LYS   1   1.856   0.731  -4.299
    4    HB3  LYS   1           2HB      LYS   1   2.781   0.752  -5.795
    5    HG2  LYS   1           1HG      LYS   1   1.003  -0.040  -7.056
    6    HG3  LYS   1           2HG      LYS   1   0.164  -0.688  -5.644
    7    HD2  LYS   1           1HD      LYS   1   0.133   1.849  -4.924
    8    HD3  LYS   1           2HD      LYS   1   0.304   2.110  -6.661
    9    HE2  LYS   1           1HE      LYS   1  -2.002   2.108  -6.322
   10    HE3  LYS   1           2HE      LYS   1  -1.662   0.477  -6.897
   11    HZ1  LYS   1           3HZ      LYS   1  -1.902  -0.397  -4.756
   12    HZ2  LYS   1           1HZ      LYS   1  -3.180   0.702  -4.901
   13    HZ3  LYS   1           2HZ      LYS   1  -1.803   1.119  -4.013
   14    HA   PRO   2           HA       PRO   2   6.654  -1.885  -5.861
   15    HB2  PRO   2           1HB      PRO   2   7.084  -0.845  -8.332
   16    HB3  PRO   2           2HB      PRO   2   6.426  -2.465  -8.073
   17    HG2  PRO   2           1HG      PRO   2   4.992   0.080  -8.728
   18    HG3  PRO   2           2HG      PRO   2   4.740  -1.548  -9.385
   19    HD2  PRO   2           1HD      PRO   2   3.151  -0.489  -7.465
   20    HD3  PRO   2           2HD      PRO   2   3.500  -2.227  -7.565
   21    H    ALA   3           H        ALA   3   8.460  -0.271  -6.973
   22    HA   ALA   3           HA       ALA   3   8.290   2.122  -5.329
   23    HB1  ALA   3           1HB      ALA   3  10.552   2.137  -5.303
   24    HB2  ALA   3           2HB      ALA   3  10.332   0.441  -5.739
   25    HB3  ALA   3           3HB      ALA   3  10.685   1.634  -6.989
   26    H    TRP   4           H        TRP   4   7.011   1.527  -8.141
   27    HA   TRP   4           HA       TRP   4   7.973   3.956  -9.487
   28    HB2  TRP   4           1HB      TRP   4   6.065   2.211 -10.909
   29    HB3  TRP   4           2HB      TRP   4   7.547   2.969 -11.483
   30    HD1  TRP   4           HD1      TRP   4   9.752   1.651  -9.808
   31    HE1  TRP   4           HE1      TRP   4  10.238  -0.872  -9.948
   32    HE3  TRP   4           HE3      TRP   4   5.254   0.059 -11.643
   33    HZ2  TRP   4           HZ2      TRP   4   8.893  -3.226 -10.733
   34    HZ3  TRP   4           HZ3      TRP   4   4.935  -2.345 -12.062
   35    HH2  TRP   4           HH2      TRP   4   6.718  -3.952 -11.616
   36    H    CYS   5           H        CYS   5   5.002   2.276  -8.516
   37    HA   CYS   5           HA       CYS   5   3.418   4.652  -9.089
   38    HB2  CYS   5           1HB      CYS   5   2.420   2.072  -7.890
   39    HB3  CYS   5           2HB      CYS   5   1.496   3.294  -8.757
   40    H    TRP   6           H        TRP   6   1.482   4.587  -7.183
   41    HA   TRP   6           HA       TRP   6   2.690   4.617  -4.552
   42    HB2  TRP   6           1HB      TRP   6   2.902   6.933  -5.979
   43    HB3  TRP   6           2HB      TRP   6   1.370   7.184  -5.147
   44    HD1  TRP   6           HD1      TRP   6   5.066   7.316  -4.610
   45    HE1  TRP   6           HE1      TRP   6   5.575   7.897  -2.155
   46    HE3  TRP   6           HE3      TRP   6   0.383   6.722  -2.648
   47    HZ2  TRP   6           HZ2      TRP   6   4.176   8.079   0.290
   48    HZ3  TRP   6           HZ3      TRP   6   0.053   7.119  -0.242
   49    HH2  TRP   6           HH2      TRP   6   1.912   7.783   1.195
   50    H    TYR   7           H        TYR   7  -0.127   5.591  -6.488
   51    HA   TYR   7           HA       TYR   7  -1.915   3.943  -5.059
   52    HB2  TYR   7           1HB      TYR   7  -1.326   6.182  -3.608
   53    HB3  TYR   7           2HB      TYR   7  -2.746   6.712  -4.501
   54    HD1  TYR   7           HD2      TYR   7  -1.745   3.507  -2.845
   55    HD2  TYR   7           HD1      TYR   7  -4.652   6.591  -3.218
   56    HE1  TYR   7           HE2      TYR   7  -3.188   2.334  -1.235
   57    HE2  TYR   7           HE1      TYR   7  -6.103   5.427  -1.609
   58    HH   TYR   7           HH       TYR   7  -6.052   2.483  -0.883
   59    H    THR   8           H        THR   8  -4.298   5.271  -5.390
   60    HA   THR   8           HA       THR   8  -4.435   5.449  -8.312
   61    HB   THR   8           HB       THR   8  -6.828   5.312  -6.497
   62    HG1  THR   8           HG1      THR   8  -5.932   3.467  -5.861
   63   HG21  THR   8          3HG2      THR   8  -6.366   5.304  -9.322
   64   HG22  THR   8          1HG2      THR   8  -7.899   5.290  -8.451
   65   HG23  THR   8          2HG2      THR   8  -7.095   3.771  -8.847
   66    H    LEU   9           H        LEU   9  -3.549   7.651  -6.506
   67    HA   LEU   9           HA       LEU   9  -5.571   9.610  -6.316
   68    HB2  LEU   9           1HB      LEU   9  -2.639   9.514  -6.057
   69    HB3  LEU   9           2HB      LEU   9  -3.311  11.086  -6.487
   70    HG   LEU   9           HG       LEU   9  -2.932  10.778  -4.053
   71   HD11  LEU   9          1HD1      LEU   9  -4.449  12.417  -4.149
   72   HD12  LEU   9          2HD1      LEU   9  -5.597  11.185  -3.626
   73   HD13  LEU   9          3HD1      LEU   9  -5.435  11.566  -5.340
   74   HD21  LEU   9          3HD2      LEU   9  -5.313   9.140  -3.670
   75   HD22  LEU   9          1HD2      LEU   9  -3.735   9.050  -2.888
   76   HD23  LEU   9          2HD2      LEU   9  -3.989   8.277  -4.453
   77    H    ALA  10           H        ALA  10  -3.483   8.610  -8.911
   78    HA   ALA  10           HA       ALA  10  -3.416   9.159 -11.120
   79    HB1  ALA  10           1HB      ALA  10  -5.372   9.759 -12.165
   80    HB2  ALA  10           2HB      ALA  10  -5.987   9.110 -10.644
   81    HB3  ALA  10           3HB      ALA  10  -5.856  10.854 -10.869
   82    H    MET  11           H        MET  11  -1.603  10.513  -9.979
   83    HA   MET  11           HA       MET  11  -1.864  13.306  -9.770
   84    HB2  MET  11           1HB      MET  11   0.669  11.817 -10.459
   85    HB3  MET  11           2HB      MET  11   0.529  13.376  -9.657
   86    HG2  MET  11           1HG      MET  11   0.577  12.352  -7.704
   87    HG3  MET  11           2HG      MET  11  -0.932  11.539  -8.110
   88    HE1  MET  11           3HE      MET  11   0.993   9.171  -6.279
   89    HE2  MET  11           1HE      MET  11  -0.562   9.924  -6.634
   90    HE3  MET  11           2HE      MET  11  -0.164   8.354  -7.331
   91    H    CYS  12           H        CYS  12  -0.003  11.573 -12.271
   92    HA   CYS  12           HA       CYS  12   0.205  13.701 -14.042
   93    HB2  CYS  12           1HB      CYS  12   0.903  12.118 -15.681
   94    HB3  CYS  12           2HB      CYS  12   1.458  11.505 -14.126
   95    H    GLY  13           H        GLY  13  -0.836  14.046 -16.119
   96    HA2  GLY  13           1HA      GLY  13  -2.651  13.873 -17.614
   97    HA3  GLY  13           2HA      GLY  13  -3.518  12.924 -16.416
   98    H    ALA  14           H        ALA  14  -2.771  14.995 -14.342
   99    HA   ALA  14           HA       ALA  14  -4.890  16.910 -15.051
  100    HB1  ALA  14           1HB      ALA  14  -5.481  15.619 -13.127
  101    HB2  ALA  14           2HB      ALA  14  -3.928  15.956 -12.360
  102    HB3  ALA  14           3HB      ALA  14  -5.098  17.255 -12.591
  103    H    GLY  15           H        GLY  15  -2.025  17.105 -15.785
  104    HA2  GLY  15           1HA      GLY  15  -0.939  19.210 -16.152
  105    HA3  GLY  15           2HA      GLY  15  -1.554  19.756 -14.599
  106    H    TYR  16           H        TYR  16  -0.750  17.042 -13.476
  107    HA   TYR  16           HA       TYR  16   1.629  17.792 -12.270
  108    HB2  TYR  16           1HB      TYR  16   0.084  15.288 -12.519
  109    HB3  TYR  16           2HB      TYR  16   1.788  15.083 -12.129
  110    HD1  TYR  16           HD2      TYR  16  -1.373  16.633 -11.000
  111    HD2  TYR  16           HD1      TYR  16   2.620  15.591  -9.963
  112    HE1  TYR  16           HE2      TYR  16  -1.860  17.137  -8.642
  113    HE2  TYR  16           HE1      TYR  16   2.144  16.092  -7.602
  114    HH   TYR  16           HH       TYR  16  -1.057  17.250  -6.580
  115    H    ASP  17           H        ASP  17   1.075  16.159 -15.306
  116    HA   ASP  17           HA       ASP  17   3.984  16.160 -15.777
  117    HB2  ASP  17           1HB      ASP  17   1.958  14.127 -16.734
  118    HB3  ASP  17           2HB      ASP  17   3.645  14.175 -17.237
  119    H    SER  18           H        SER  18   4.174  15.678 -18.379
  120    HA   SER  18           HA       SER  18   3.090  18.088 -19.553
  121    HB2  SER  18           1HB      SER  18   5.068  16.016 -20.487
  122    HB3  SER  18           2HB      SER  18   4.468  17.273 -21.567
  123    H    GLY  19           H        GLY  19   0.870  17.216 -19.319
  124    HA2  GLY  19           1HA      GLY  19  -0.173  15.113 -18.875
  125    HA3  GLY  19           2HA      GLY  19  -0.651  15.526 -20.515
  126    H    THR  20           H        THR  20   1.772  13.758 -18.635
  127    HA   THR  20           HA       THR  20   1.734  11.636 -20.616
  128    HB   THR  20           HB       THR  20   3.539  13.236 -21.348
  129    HG1  THR  20           HG1      THR  20   4.730  10.801 -20.566
  130   HG21  THR  20          3HG2      THR  20   4.906  12.260 -18.838
  131   HG22  THR  20          1HG2      THR  20   4.298  13.895 -19.098
  132   HG23  THR  20          2HG2      THR  20   5.622  13.278 -20.087
  133    H    CYS  21           H        CYS  21   2.117   9.656 -19.748
  134    HA   CYS  21           HA       CYS  21   3.114   9.542 -16.983
  135    HB2  CYS  21           1HB      CYS  21   0.856   7.817 -18.000
  136    HB3  CYS  21           2HB      CYS  21   1.414   7.997 -16.340
  137    H    ASP  22           H        ASP  22   3.191   6.926 -16.503
  138    HA   ASP  22           HA       ASP  22   4.334   5.499 -18.753
  139    HB2  ASP  22           1HB      ASP  22   5.981   6.844 -16.768
  140    HB3  ASP  22           2HB      ASP  22   6.297   5.112 -16.817
  141    H    TYR  23           H        TYR  23   4.799   5.139 -15.251
  142    HA   TYR  23           HA       TYR  23   4.189   2.386 -15.268
  143    HB2  TYR  23           1HB      TYR  23   4.010   4.178 -12.848
  144    HB3  TYR  23           2HB      TYR  23   4.415   2.466 -12.903
  145    HD1  TYR  23           HD2      TYR  23   6.537   2.012 -14.563
  146    HD2  TYR  23           HD1      TYR  23   5.766   5.588 -12.391
  147    HE1  TYR  23           HE2      TYR  23   8.929   2.576 -14.655
  148    HE2  TYR  23           HE1      TYR  23   8.156   6.163 -12.478
  149    HH   TYR  23           HH       TYR  23  10.433   4.274 -14.365
  150    H    MET  24           H        MET  24   2.218   5.217 -15.019
  151    HA   MET  24           HA       MET  24  -0.031   4.125 -13.730
  152    HB2  MET  24           1HB      MET  24   0.302   6.414 -15.661
  153    HB3  MET  24           2HB      MET  24  -1.264   5.986 -14.984
  154    HG2  MET  24           1HG      MET  24  -0.615   7.589 -13.509
  155    HG3  MET  24           2HG      MET  24   0.030   6.157 -12.710
  156    HE1  MET  24           3HE      MET  24   3.666   6.292 -12.884
  157    HE2  MET  24           1HE      MET  24   2.644   6.787 -11.534
  158    HE3  MET  24           2HE      MET  24   2.165   5.427 -12.550
  159    H    TYR  25           H        TYR  25   0.847   4.329 -17.158
  160    HA   TYR  25           HA       TYR  25  -1.550   3.196 -18.146
  161    HB2  TYR  25           1HB      TYR  25   1.200   3.595 -19.285
  162    HB3  TYR  25           2HB      TYR  25  -0.011   2.681 -20.178
  163    HD1  TYR  25           HD1      TYR  25  -0.021   5.861 -18.201
  164    HD2  TYR  25           HD2      TYR  25  -0.983   3.913 -21.859
  165    HE1  TYR  25           HE1      TYR  25  -0.961   7.963 -19.067
  166    HE2  TYR  25           HE2      TYR  25  -1.923   6.009 -22.736
  167    HH   TYR  25           HH       TYR  25  -2.044   8.255 -22.401
  168    H    SER  26           H        SER  26   0.976   1.839 -16.404
  169    HA   SER  26           HA       SER  26   0.813  -0.799 -17.595
  170    HB2  SER  26           1HB      SER  26   2.875   0.386 -16.432
  171    HB3  SER  26           2HB      SER  26   2.166  -0.308 -14.974
  172    HG   SER  26           HG       SER  26   3.074  -2.099 -15.559
  173    H    HIS  27           H        HIS  27  -1.606   0.357 -16.469
  174    HA   HIS  27           HA       HIS  27  -3.378  -0.203 -15.153
  175    HB2  HIS  27           1HB      HIS  27  -1.963  -2.804 -15.579
  176    HB3  HIS  27           2HB      HIS  27  -3.326  -2.746 -14.466
  177    HD1  HIS  27           HD1      HIS  27  -5.640  -1.899 -15.551
  178    HD2  HIS  27           HD2      HIS  27  -2.641  -2.978 -18.216
  179    HE1  HIS  27           HE1      HIS  27  -6.793  -2.233 -17.761
  180    H    CYS  28           H        CYS  28  -1.673   1.203 -13.712
  181    HA   CYS  28           HA       CYS  28  -1.412  -0.252 -11.162
  182    HB2  CYS  28           1HB      CYS  28   0.640   0.850 -12.496
  183    HB3  CYS  28           2HB      CYS  28   0.113   2.262 -11.585
  184    H    PHE  29           H        PHE  29  -2.867   2.365 -12.807
  185    HA   PHE  29           HA       PHE  29  -3.844   3.461 -10.252
  186    HB2  PHE  29           1HB      PHE  29  -3.177   4.804 -12.854
  187    HB3  PHE  29           2HB      PHE  29  -4.335   5.535 -11.746
  188    HD1  PHE  29           HD2      PHE  29  -1.038   3.825 -11.350
  189    HD2  PHE  29           HD1      PHE  29  -3.421   7.261 -10.558
  190    HE1  PHE  29           HE2      PHE  29   0.817   4.812 -10.070
  191    HE2  PHE  29           HE1      PHE  29  -1.570   8.255  -9.279
  192    HZ   PHE  29           HZ       PHE  29   0.553   7.030  -9.032
  193    H    GLY  30           H        GLY  30  -4.660   2.156 -13.352
  194    HA2  GLY  30           1HA      GLY  30  -6.708   1.175 -13.915
  195    HA3  GLY  30           2HA      GLY  30  -7.446   1.976 -12.536
  196    H    VAL  31           H        VAL  31  -5.506   3.732 -14.839
  197    HA   VAL  31           HA       VAL  31  -7.912   5.202 -15.656
  198    HB   VAL  31           HB       VAL  31  -6.364   6.963 -16.420
  199   HG11  VAL  31          1HG1      VAL  31  -5.530   6.342 -13.625
  200   HG12  VAL  31          2HG1      VAL  31  -6.048   7.873 -14.333
  201   HG13  VAL  31          3HG1      VAL  31  -7.236   6.619 -13.975
  202   HG21  VAL  31          3HG2      VAL  31  -4.438   5.632 -16.995
  203   HG22  VAL  31          1HG2      VAL  31  -3.977   6.813 -15.768
  204   HG23  VAL  31          2HG2      VAL  31  -4.239   5.128 -15.316
  205    H    LYS  32           H        LYS  32  -5.155   3.421 -16.910
  206    HA   LYS  32           HA       LYS  32  -5.410   4.008 -19.624
  207    HB2  LYS  32           1HB      LYS  32  -3.606   2.639 -18.326
  208    HB3  LYS  32           2HB      LYS  32  -4.641   1.264 -18.687
  209    HG2  LYS  32           1HG      LYS  32  -4.067   2.958 -21.000
  210    HG3  LYS  32           2HG      LYS  32  -2.644   2.196 -20.286
  211    HD2  LYS  32           1HD      LYS  32  -5.159   0.714 -21.046
  212    HD3  LYS  32           2HD      LYS  32  -3.738   0.852 -22.085
  213    HE2  LYS  32           1HE      LYS  32  -2.430  -0.117 -20.114
  214    HE3  LYS  32           2HE      LYS  32  -4.000  -0.546 -19.438
  215    HZ1  LYS  32           3HZ      LYS  32  -2.533  -2.011 -21.236
  216    HZ2  LYS  32           1HZ      LYS  32  -3.788  -1.350 -22.159
  217    HZ3  LYS  32           2HZ      LYS  32  -4.143  -2.281 -20.792
  218    H    HIS  33           H        HIS  33  -6.429   2.927 -21.342
  219    HA   HIS  33           HA       HIS  33  -8.330   0.820 -20.800
  220    HB2  HIS  33           1HB      HIS  33  -9.508   2.989 -20.222
  221    HB3  HIS  33           2HB      HIS  33  -9.377   3.420 -21.924
  222    HD1  HIS  33           HD1      HIS  33 -12.058   3.440 -21.791
  223    HD2  HIS  33           HD2      HIS  33 -10.232  -0.275 -21.432
  224    HE1  HIS  33           HE1      HIS  33 -13.877   1.754 -22.209
  225    H    SER  34           H        SER  34  -8.107  -0.550 -22.428
  226    HA   SER  34           HA       SER  34  -7.686   0.528 -25.136
  227    HB2  SER  34           1HB      SER  34  -6.126  -1.280 -25.620
  228    HB3  SER  34           2HB      SER  34  -5.565  -0.376 -24.214
  229    HG   SER  34           HG       SER  34  -5.419  -2.565 -23.771
  230    H    SER  35           H        SER  35  -8.112  -1.212 -26.833
  231    HA   SER  35           HA       SER  35 -10.712  -2.371 -26.247
  232    HB2  SER  35           1HB      SER  35 -10.769  -1.287 -28.309
  233    HB3  SER  35           2HB      SER  35  -9.151  -1.830 -28.752
  234    HG   SER  35           HG       SER  35 -11.438  -2.921 -29.432
  235    H    GLY  36           H        GLY  36  -7.467  -3.414 -27.157
  236    HA2  GLY  36           1HA      GLY  36  -8.270  -6.206 -27.247
  237    HA3  GLY  36           2HA      GLY  36  -6.657  -5.573 -27.540
  238    H    GLY  37           H        GLY  37  -5.174  -5.881 -26.008
  239    HA2  GLY  37           1HA      GLY  37  -6.084  -6.275 -23.235
  240    HA3  GLY  37           2HA      GLY  37  -5.037  -7.472 -23.984
  241    H    GLY  38           H        GLY  38  -3.210  -5.966 -25.320
  242    HA2  GLY  38           1HA      GLY  38  -1.211  -4.889 -24.979
  243    HA3  GLY  38           2HA      GLY  38  -2.153  -3.734 -24.047
  244    H    GLY  39           H        GLY  39  -0.457  -3.429 -22.567
  245    HA2  GLY  39           1HA      GLY  39   0.728  -3.833 -20.644
  246    HA3  GLY  39           2HA      GLY  39  -0.558  -4.962 -20.245
  247    H    SER  40           H        SER  40   1.943  -4.977 -22.779
  248    HA   SER  40           HA       SER  40   2.990  -7.469 -21.622
  249    HB2  SER  40           1HB      SER  40   1.417  -7.642 -23.749
  250    HB3  SER  40           2HB      SER  40   2.896  -7.190 -24.597
  251    HG   SER  40           HG       SER  40   2.811  -9.305 -22.720
  252    H    TYR  41           H        TYR  41   5.161  -8.039 -22.537
  253    HA   TYR  41           HA       TYR  41   6.685  -5.711 -23.449
  254    HB2  TYR  41           1HB      TYR  41   6.715  -6.186 -20.843
  255    HB3  TYR  41           2HB      TYR  41   7.897  -7.404 -21.309
  256    HD1  TYR  41           HD2      TYR  41  10.063  -6.757 -22.211
  257    HD2  TYR  41           HD1      TYR  41   7.209  -3.820 -21.057
  258    HE1  TYR  41           HE2      TYR  41  11.819  -5.036 -22.270
  259    HE2  TYR  41           HE1      TYR  41   8.957  -2.090 -21.115
  260    HH   TYR  41           HH       TYR  41  12.283  -2.846 -21.349
  261    H    HIS  42           H        HIS  42   8.802  -6.266 -24.310
  262    HA   HIS  42           HA       HIS  42   8.738  -8.878 -25.617
  263    HB2  HIS  42           1HB      HIS  42  10.160  -6.293 -26.171
  264    HB3  HIS  42           2HB      HIS  42  10.730  -7.792 -26.899
  265    HD1  HIS  42           HD1      HIS  42  10.047  -6.382 -29.138
  266    HD2  HIS  42           HD2      HIS  42   6.942  -7.802 -26.770
  267    HE1  HIS  42           HE1      HIS  42   8.005  -6.330 -30.605
  268    H    CYS  43           H        CYS  43   9.386  -8.902 -22.883
  269    HA   CYS  43           HA       CYS  43  12.164  -8.896 -22.387
  270    HB2  CYS  43           1HB      CYS  43  10.500  -8.786 -20.587
  271    HB3  CYS  43           2HB      CYS  43   9.965 -10.419 -20.973
  272    H1   NAG 101           H1       NAG 100   5.546  19.499 -21.067
  273    H2   NAG 101           HC2      NAG 100   7.511  19.705 -18.719
  274    H3   NAG 101           HC3      NAG 100   6.474  21.837 -20.675
  275    H4   NAG 101           HC4      NAG 100   9.243  20.508 -20.502
  276    H5   NAG 101           H5       NAG 100   6.961  20.153 -22.527
  277    H61  NAG 101           1H6      NAG 100   9.246  20.186 -23.567
  278    H62  NAG 101           2H6      NAG 100   9.799  18.968 -22.409
  279    H81  NAG 101           3H8      NAG 100   4.045  21.359 -16.555
  280    H82  NAG 101           1H8      NAG 100   3.189  19.859 -17.046
  281    H83  NAG 101           2H8      NAG 100   4.220  19.864 -15.576
  282    HN2  NAG 101           H2       NAG 100   5.000  21.276 -18.861
  283    HO3  NAG 101           H3       NAG 100   8.185  23.073 -19.667
  284    HO4  NAG 101           H4       NAG 100   9.771  21.866 -22.131
  285    HO6  NAG 101           HO6      NAG 100   7.783  17.714 -23.271
  286    H1   NAG 102           H1       NAG 200  11.786 -11.088 -17.923
  287    H2   NAG 102           HC2      NAG 200  14.714 -11.313 -17.028
  288    H3   NAG 102           HC3      NAG 200  12.097 -11.435 -15.420
  289    H4   NAG 102           HC4      NAG 200  14.216  -9.209 -15.562
  290    H5   NAG 102           H5       NAG 200  11.379  -9.366 -16.727
  291    H61  NAG 102           1H6      NAG 200  11.961  -7.118 -15.773
  292    H62  NAG 102           2H6      NAG 200  13.463  -7.102 -16.708
  293    H81  NAG 102           3H8      NAG 200  14.001 -15.496 -18.965
  294    H82  NAG 102           1H8      NAG 200  15.031 -15.734 -17.514
  295    H83  NAG 102           2H8      NAG 200  13.256 -15.533 -17.331
  296    HN2  NAG 102           H2       NAG 200  12.717 -13.456 -16.563
  297    HO3  NAG 102           H3       NAG 200  13.609 -11.292 -13.640
  298    HO4  NAG 102           H4       NAG 200  12.977  -8.214 -14.061
  299    HO6  NAG 102           HO6      NAG 200  11.883  -7.546 -18.627
  Start of MODEL    2
    1    H1   LYS   1           H        LYS   1   2.888  -1.954  -2.915
    2    HA   LYS   1           HA       LYS   1   2.290  -1.987  -5.626
    3    HB2  LYS   1           1HB      LYS   1   1.964   0.673  -4.312
    4    HB3  LYS   1           2HB      LYS   1   2.696   0.618  -5.911
    5    HG2  LYS   1           1HG      LYS   1   0.767  -0.135  -6.918
    6    HG3  LYS   1           2HG      LYS   1   0.120  -0.804  -5.418
    7    HD2  LYS   1           1HD      LYS   1  -0.360   1.391  -4.576
    8    HD3  LYS   1           2HD      LYS   1   0.471   2.146  -5.938
    9    HE2  LYS   1           1HE      LYS   1  -1.689   2.323  -6.657
   10    HE3  LYS   1           2HE      LYS   1  -1.281   0.746  -7.330
   11    HZ1  LYS   1           3HZ      LYS   1  -2.661   1.170  -4.735
   12    HZ2  LYS   1           1HZ      LYS   1  -2.345  -0.319  -5.473
   13    HZ3  LYS   1           2HZ      LYS   1  -3.434   0.763  -6.184
   14    HA   PRO   2           HA       PRO   2   6.668  -1.905  -5.908
   15    HB2  PRO   2           1HB      PRO   2   7.076  -0.822  -8.363
   16    HB3  PRO   2           2HB      PRO   2   6.442  -2.455  -8.127
   17    HG2  PRO   2           1HG      PRO   2   4.970   0.079  -8.740
   18    HG3  PRO   2           2HG      PRO   2   4.739  -1.541  -9.421
   19    HD2  PRO   2           1HD      PRO   2   3.140  -0.535  -7.482
   20    HD3  PRO   2           2HD      PRO   2   3.514  -2.266  -7.609
   21    H    ALA   3           H        ALA   3   8.459  -0.261  -6.971
   22    HA   ALA   3           HA       ALA   3   8.238   2.118  -5.311
   23    HB1  ALA   3           1HB      ALA   3  10.590   2.384  -5.629
   24    HB2  ALA   3           2HB      ALA   3  10.279   0.681  -5.294
   25    HB3  ALA   3           3HB      ALA   3  10.600   1.210  -6.945
   26    H    TRP   4           H        TRP   4   7.014   1.529  -8.148
   27    HA   TRP   4           HA       TRP   4   7.997   3.950  -9.487
   28    HB2  TRP   4           1HB      TRP   4   6.046   2.215 -10.876
   29    HB3  TRP   4           2HB      TRP   4   7.511   2.979 -11.484
   30    HD1  TRP   4           HD1      TRP   4   9.742   1.668  -9.810
   31    HE1  TRP   4           HE1      TRP   4  10.243  -0.851  -9.978
   32    HE3  TRP   4           HE3      TRP   4   5.252   0.067 -11.658
   33    HZ2  TRP   4           HZ2      TRP   4   8.912  -3.205 -10.787
   34    HZ3  TRP   4           HZ3      TRP   4   4.948  -2.334 -12.102
   35    HH2  TRP   4           HH2      TRP   4   6.741  -3.934 -11.676
   36    H    CYS   5           H        CYS   5   4.981   2.325  -8.544
   37    HA   CYS   5           HA       CYS   5   3.464   4.754  -9.079
   38    HB2  CYS   5           1HB      CYS   5   2.382   2.181  -7.939
   39    HB3  CYS   5           2HB      CYS   5   1.507   3.441  -8.804
   40    H    TRP   6           H        TRP   6   1.508   4.682  -7.185
   41    HA   TRP   6           HA       TRP   6   2.706   4.639  -4.548
   42    HB2  TRP   6           1HB      TRP   6   2.965   6.976  -5.917
   43    HB3  TRP   6           2HB      TRP   6   1.417   7.233  -5.116
   44    HD1  TRP   6           HD1      TRP   6   5.108   7.274  -4.487
   45    HE1  TRP   6           HE1      TRP   6   5.565   7.823  -2.014
   46    HE3  TRP   6           HE3      TRP   6   0.359   6.793  -2.656
   47    HZ2  TRP   6           HZ2      TRP   6   4.106   8.025   0.394
   48    HZ3  TRP   6           HZ3      TRP   6  -0.025   7.181  -0.257
   49    HH2  TRP   6           HH2      TRP   6   1.811   7.783   1.235
   50    H    TYR   7           H        TYR   7  -0.084   5.512  -6.544
   51    HA   TYR   7           HA       TYR   7  -1.892   3.908  -5.143
   52    HB2  TYR   7           1HB      TYR   7  -1.296   6.118  -3.632
   53    HB3  TYR   7           2HB      TYR   7  -2.736   6.647  -4.496
   54    HD1  TYR   7           HD2      TYR   7  -1.579   3.530  -2.773
   55    HD2  TYR   7           HD1      TYR   7  -4.709   6.352  -3.356
   56    HE1  TYR   7           HE2      TYR   7  -2.984   2.292  -1.178
   57    HE2  TYR   7           HE1      TYR   7  -6.122   5.123  -1.762
   58    HH   TYR   7           HH       TYR   7  -4.867   2.488   0.153
   59    H    THR   8           H        THR   8  -4.267   5.256  -5.442
   60    HA   THR   8           HA       THR   8  -4.393   5.522  -8.356
   61    HB   THR   8           HB       THR   8  -6.791   5.370  -6.549
   62    HG1  THR   8           HG1      THR   8  -5.215   3.207  -7.533
   63   HG21  THR   8          3HG2      THR   8  -6.363   5.500  -9.352
   64   HG22  THR   8          1HG2      THR   8  -7.891   5.344  -8.485
   65   HG23  THR   8          2HG2      THR   8  -7.006   3.901  -8.979
   66    H    LEU   9           H        LEU   9  -3.487   7.663  -6.481
   67    HA   LEU   9           HA       LEU   9  -5.451   9.645  -6.198
   68    HB2  LEU   9           1HB      LEU   9  -2.504   9.529  -6.124
   69    HB3  LEU   9           2HB      LEU   9  -3.205  11.112  -6.450
   70    HG   LEU   9           HG       LEU   9  -4.571  10.780  -4.333
   71   HD11  LEU   9          1HD1      LEU   9  -4.042   8.282  -4.306
   72   HD12  LEU   9          2HD1      LEU   9  -3.954   9.150  -2.774
   73   HD13  LEU   9          3HD1      LEU   9  -2.475   8.747  -3.645
   74   HD21  LEU   9          3HD2      LEU   9  -1.824  11.555  -4.714
   75   HD22  LEU   9          1HD2      LEU   9  -2.074  10.915  -3.090
   76   HD23  LEU   9          2HD2      LEU   9  -3.056  12.262  -3.667
   77    H    ALA  10           H        ALA  10  -3.536   8.658  -8.923
   78    HA   ALA  10           HA       ALA  10  -3.592   9.240 -11.123
   79    HB1  ALA  10           1HB      ALA  10  -6.117   9.211 -10.535
   80    HB2  ALA  10           2HB      ALA  10  -5.987  10.967 -10.652
   81    HB3  ALA  10           3HB      ALA  10  -5.588   9.959 -12.043
   82    H    MET  11           H        MET  11  -1.675  10.527 -10.096
   83    HA   MET  11           HA       MET  11  -1.888  13.340  -9.868
   84    HB2  MET  11           1HB      MET  11   0.491  11.549 -10.369
   85    HB3  MET  11           2HB      MET  11   0.618  13.279 -10.084
   86    HG2  MET  11           1HG      MET  11  -0.198  13.068  -7.874
   87    HG3  MET  11           2HG      MET  11  -0.693  11.399  -8.145
   88    HE1  MET  11           3HE      MET  11   0.302   9.621  -7.708
   89    HE2  MET  11           1HE      MET  11   2.021   9.230  -7.645
   90    HE3  MET  11           2HE      MET  11   1.205   9.854  -6.211
   91    H    CYS  12           H        CYS  12   0.051  11.644 -12.321
   92    HA   CYS  12           HA       CYS  12   0.204  13.721 -14.130
   93    HB2  CYS  12           1HB      CYS  12   0.929  12.128 -15.744
   94    HB3  CYS  12           2HB      CYS  12   1.478  11.535 -14.180
   95    H    GLY  13           H        GLY  13  -0.846  14.071 -16.186
   96    HA2  GLY  13           1HA      GLY  13  -2.648  13.880 -17.691
   97    HA3  GLY  13           2HA      GLY  13  -3.497  12.889 -16.514
   98    H    ALA  14           H        ALA  14  -2.760  14.992 -14.431
   99    HA   ALA  14           HA       ALA  14  -4.928  16.862 -15.124
  100    HB1  ALA  14           1HB      ALA  14  -5.253  17.128 -12.690
  101    HB2  ALA  14           2HB      ALA  14  -5.504  15.470 -13.239
  102    HB3  ALA  14           3HB      ALA  14  -4.008  15.910 -12.416
  103    H    GLY  15           H        GLY  15  -2.027  17.095 -15.754
  104    HA2  GLY  15           1HA      GLY  15  -0.968  19.231 -16.049
  105    HA3  GLY  15           2HA      GLY  15  -1.632  19.729 -14.500
  106    H    TYR  16           H        TYR  16  -0.793  16.925 -13.521
  107    HA   TYR  16           HA       TYR  16   1.545  17.700 -12.207
  108    HB2  TYR  16           1HB      TYR  16   0.001  15.210 -12.517
  109    HB3  TYR  16           2HB      TYR  16   1.705  14.977 -12.141
  110    HD1  TYR  16           HD1      TYR  16   2.639  15.843 -10.030
  111    HD2  TYR  16           HD2      TYR  16  -1.519  16.104 -10.892
  112    HE1  TYR  16           HE1      TYR  16   2.181  16.286  -7.655
  113    HE2  TYR  16           HE2      TYR  16  -1.989  16.549  -8.520
  114    HH   TYR  16           HH       TYR  16  -1.024  17.166  -6.535
  115    H    ASP  17           H        ASP  17   1.060  16.074 -15.267
  116    HA   ASP  17           HA       ASP  17   3.976  16.115 -15.688
  117    HB2  ASP  17           1HB      ASP  17   1.974  14.093 -16.715
  118    HB3  ASP  17           2HB      ASP  17   3.667  14.158 -17.197
  119    H    SER  18           H        SER  18   4.210  15.672 -18.298
  120    HA   SER  18           HA       SER  18   3.150  18.106 -19.447
  121    HB2  SER  18           1HB      SER  18   5.203  16.084 -20.279
  122    HB3  SER  18           2HB      SER  18   4.544  17.201 -21.475
  123    H    GLY  19           H        GLY  19   0.925  17.233 -19.265
  124    HA2  GLY  19           1HA      GLY  19  -0.128  15.124 -18.877
  125    HA3  GLY  19           2HA      GLY  19  -0.577  15.565 -20.518
  126    H    THR  20           H        THR  20   1.806  13.759 -18.624
  127    HA   THR  20           HA       THR  20   1.802  11.672 -20.641
  128    HB   THR  20           HB       THR  20   3.620  13.282 -21.317
  129    HG1  THR  20           HG1      THR  20   3.577  10.821 -21.559
  130   HG21  THR  20          3HG2      THR  20   4.937  12.265 -18.796
  131   HG22  THR  20          1HG2      THR  20   4.348  13.907 -19.051
  132   HG23  THR  20          2HG2      THR  20   5.686  13.289 -20.020
  133    H    CYS  21           H        CYS  21   2.159   9.679 -19.796
  134    HA   CYS  21           HA       CYS  21   3.129   9.513 -17.024
  135    HB2  CYS  21           1HB      CYS  21   0.855   7.831 -18.076
  136    HB3  CYS  21           2HB      CYS  21   1.404   7.987 -16.410
  137    H    ASP  22           H        ASP  22   3.160   6.887 -16.585
  138    HA   ASP  22           HA       ASP  22   4.262   5.450 -18.838
  139    HB2  ASP  22           1HB      ASP  22   5.975   6.815 -16.929
  140    HB3  ASP  22           2HB      ASP  22   6.277   5.079 -16.948
  141    H    TYR  23           H        TYR  23   4.820   5.130 -15.345
  142    HA   TYR  23           HA       TYR  23   4.208   2.378 -15.312
  143    HB2  TYR  23           1HB      TYR  23   4.087   4.198 -12.910
  144    HB3  TYR  23           2HB      TYR  23   4.494   2.486 -12.956
  145    HD1  TYR  23           HD2      TYR  23   6.545   2.107 -14.808
  146    HD2  TYR  23           HD1      TYR  23   5.880   5.530 -12.370
  147    HE1  TYR  23           HE2      TYR  23   8.933   2.675 -14.964
  148    HE2  TYR  23           HE1      TYR  23   8.266   6.108 -12.520
  149    HH   TYR  23           HH       TYR  23  10.573   3.981 -14.139
  150    H    MET  24           H        MET  24   2.246   5.214 -15.045
  151    HA   MET  24           HA       MET  24   0.028   4.133 -13.693
  152    HB2  MET  24           1HB      MET  24   0.304   6.407 -15.650
  153    HB3  MET  24           2HB      MET  24  -1.235   5.990 -14.910
  154    HG2  MET  24           1HG      MET  24  -0.534   7.595 -13.467
  155    HG3  MET  24           2HG      MET  24   0.161   6.175 -12.691
  156    HE1  MET  24           3HE      MET  24   2.642   6.814 -11.574
  157    HE2  MET  24           1HE      MET  24   2.409   5.463 -12.685
  158    HE3  MET  24           2HE      MET  24   3.813   6.516 -12.860
  159    H    TYR  25           H        TYR  25   0.824   4.317 -17.141
  160    HA   TYR  25           HA       TYR  25  -1.598   3.184 -18.066
  161    HB2  TYR  25           1HB      TYR  25   1.124   3.575 -19.272
  162    HB3  TYR  25           2HB      TYR  25  -0.106   2.655 -20.131
  163    HD1  TYR  25           HD1      TYR  25  -0.093   5.841 -18.164
  164    HD2  TYR  25           HD2      TYR  25  -1.100   3.881 -21.804
  165    HE1  TYR  25           HE1      TYR  25  -1.052   7.938 -19.021
  166    HE2  TYR  25           HE2      TYR  25  -2.061   5.972 -22.671
  167    HH   TYR  25           HH       TYR  25  -1.511   8.961 -21.288
  168    H    SER  26           H        SER  26   0.955   1.831 -16.368
  169    HA   SER  26           HA       SER  26   0.773  -0.812 -17.546
  170    HB2  SER  26           1HB      SER  26   2.901   0.230 -16.567
  171    HB3  SER  26           2HB      SER  26   2.198  -0.101 -14.983
  172    HG   SER  26           HG       SER  26   3.380  -1.803 -16.747
  173    H    HIS  27           H        HIS  27  -1.641   0.317 -16.423
  174    HA   HIS  27           HA       HIS  27  -3.400  -0.244 -15.089
  175    HB2  HIS  27           1HB      HIS  27  -2.611  -2.508 -16.252
  176    HB3  HIS  27           2HB      HIS  27  -2.269  -2.955 -14.583
  177    HD1  HIS  27           HD1      HIS  27  -4.430  -2.617 -12.914
  178    HD2  HIS  27           HD2      HIS  27  -5.181  -2.937 -16.988
  179    HE1  HIS  27           HE1      HIS  27  -6.864  -3.219 -13.103
  180    H    CYS  28           H        CYS  28  -1.681   1.209 -13.691
  181    HA   CYS  28           HA       CYS  28  -1.419  -0.183 -11.105
  182    HB2  CYS  28           1HB      CYS  28   0.637   0.875 -12.473
  183    HB3  CYS  28           2HB      CYS  28   0.121   2.309 -11.592
  184    H    PHE  29           H        PHE  29  -2.842   2.416 -12.816
  185    HA   PHE  29           HA       PHE  29  -3.833   3.562 -10.288
  186    HB2  PHE  29           1HB      PHE  29  -3.101   4.867 -12.891
  187    HB3  PHE  29           2HB      PHE  29  -4.267   5.627 -11.813
  188    HD1  PHE  29           HD2      PHE  29  -0.997   3.881 -11.357
  189    HD2  PHE  29           HD1      PHE  29  -3.358   7.343 -10.609
  190    HE1  PHE  29           HE2      PHE  29   0.850   4.855 -10.055
  191    HE2  PHE  29           HE1      PHE  29  -1.515   8.322  -9.306
  192    HZ   PHE  29           HZ       PHE  29   0.592   7.078  -9.026
  193    H    GLY  30           H        GLY  30  -4.620   2.294 -13.423
  194    HA2  GLY  30           1HA      GLY  30  -6.663   1.357 -14.056
  195    HA3  GLY  30           2HA      GLY  30  -7.407   2.079 -12.637
  196    H    VAL  31           H        VAL  31  -5.483   3.877 -14.953
  197    HA   VAL  31           HA       VAL  31  -7.872   5.452 -15.609
  198    HB   VAL  31           HB       VAL  31  -6.301   7.178 -16.405
  199   HG11  VAL  31          1HG1      VAL  31  -6.418   6.184 -13.643
  200   HG12  VAL  31          2HG1      VAL  31  -5.096   7.304 -13.979
  201   HG13  VAL  31          3HG1      VAL  31  -6.764   7.788 -14.290
  202   HG21  VAL  31          3HG2      VAL  31  -3.892   6.930 -15.879
  203   HG22  VAL  31          1HG2      VAL  31  -4.192   5.246 -15.449
  204   HG23  VAL  31          2HG2      VAL  31  -4.454   5.793 -17.105
  205    H    LYS  32           H        LYS  32  -5.249   3.608 -17.044
  206    HA   LYS  32           HA       LYS  32  -5.695   4.284 -19.735
  207    HB2  LYS  32           1HB      LYS  32  -3.714   3.027 -18.693
  208    HB3  LYS  32           2HB      LYS  32  -4.719   1.589 -18.810
  209    HG2  LYS  32           1HG      LYS  32  -4.858   1.840 -21.213
  210    HG3  LYS  32           2HG      LYS  32  -3.937   3.344 -21.130
  211    HD2  LYS  32           1HD      LYS  32  -2.384   1.687 -21.763
  212    HD3  LYS  32           2HD      LYS  32  -2.088   1.977 -20.047
  213    HE2  LYS  32           1HE      LYS  32  -2.933  -0.058 -19.419
  214    HE3  LYS  32           2HE      LYS  32  -4.011  -0.161 -20.810
  215    HZ1  LYS  32           3HZ      LYS  32  -1.062  -0.504 -20.889
  216    HZ2  LYS  32           1HZ      LYS  32  -2.106  -0.621 -22.215
  217    HZ3  LYS  32           2HZ      LYS  32  -2.199  -1.754 -20.962
  218    H    HIS  33           H        HIS  33  -6.626   2.939 -21.423
  219    HA   HIS  33           HA       HIS  33  -8.404   1.888 -22.378
  220    HB2  HIS  33           1HB      HIS  33  -7.234  -0.029 -21.164
  221    HB3  HIS  33           2HB      HIS  33  -8.474   0.135 -19.925
  222    HD1  HIS  33           HD1      HIS  33  -9.676  -2.046 -20.330
  223    HD2  HIS  33           HD2      HIS  33  -9.283   0.246 -23.773
  224    HE1  HIS  33           HE1      HIS  33 -11.104  -3.182 -22.060
  225    H    SER  34           H        SER  34  -8.942   4.169 -20.710
  226    HA   SER  34           HA       SER  34 -11.500   3.512 -19.448
  227    HB2  SER  34           1HB      SER  34 -10.079   4.869 -18.070
  228    HB3  SER  34           2HB      SER  34  -9.788   6.004 -19.388
  229    HG   SER  34           HG       SER  34 -11.384   7.025 -18.444
  230    H    SER  35           H        SER  35 -13.405   4.730 -19.929
  231    HA   SER  35           HA       SER  35 -13.989   4.957 -22.637
  232    HB2  SER  35           1HB      SER  35 -15.447   6.506 -20.497
  233    HB3  SER  35           2HB      SER  35 -16.099   5.829 -21.989
  234    HG   SER  35           HG       SER  35 -16.226   4.701 -19.711
  235    H    GLY  36           H        GLY  36 -14.558   6.848 -23.902
  236    HA2  GLY  36           1HA      GLY  36 -14.467   9.219 -24.272
  237    HA3  GLY  36           2HA      GLY  36 -13.196   9.318 -23.062
  238    H    GLY  37           H        GLY  37 -11.115   8.237 -23.626
  239    HA2  GLY  37           1HA      GLY  37 -10.646   8.193 -26.535
  240    HA3  GLY  37           2HA      GLY  37  -9.626   9.177 -25.496
  241    H    GLY  38           H        GLY  38  -9.014   6.851 -27.257
  242    HA2  GLY  38           1HA      GLY  38  -8.004   4.965 -25.228
  243    HA3  GLY  38           2HA      GLY  38  -8.259   4.579 -26.923
  244    H    GLY  39           H        GLY  39  -5.884   3.924 -25.774
  245    HA2  GLY  39           1HA      GLY  39  -4.008   5.097 -27.490
  246    HA3  GLY  39           2HA      GLY  39  -3.869   5.887 -25.926
  247    H    SER  40           H        SER  40  -2.137   3.959 -27.539
  248    HA   SER  40           HA       SER  40  -1.942   1.714 -25.688
  249    HB2  SER  40           1HB      SER  40  -0.609   2.342 -28.322
  250    HB3  SER  40           2HB      SER  40  -0.110   0.983 -27.314
  251    HG   SER  40           HG       SER  40  -1.615   0.161 -28.671
  252    H    TYR  41           H        TYR  41   0.532   3.766 -27.225
  253    HA   TYR  41           HA       TYR  41   1.656   4.443 -24.639
  254    HB2  TYR  41           1HB      TYR  41   2.589   2.155 -25.592
  255    HB3  TYR  41           2HB      TYR  41   3.582   3.229 -26.572
  256    HD1  TYR  41           HD2      TYR  41   5.266   4.661 -25.531
  257    HD2  TYR  41           HD1      TYR  41   2.922   1.979 -23.203
  258    HE1  TYR  41           HE2      TYR  41   6.838   4.921 -23.658
  259    HE2  TYR  41           HE1      TYR  41   4.487   2.233 -21.323
  260    HH   TYR  41           HH       TYR  41   7.150   2.933 -21.228
  261    H    HIS  42           H        HIS  42   3.375   6.042 -24.794
  262    HA   HIS  42           HA       HIS  42   2.961   7.786 -27.102
  263    HB2  HIS  42           1HB      HIS  42   4.022   8.207 -24.324
  264    HB3  HIS  42           2HB      HIS  42   4.348   9.387 -25.590
  265    HD1  HIS  42           HD1      HIS  42   1.046   7.630 -25.421
  266    HD2  HIS  42           HD2      HIS  42   2.696  11.312 -24.428
  267    HE1  HIS  42           HE1      HIS  42  -0.908   9.122 -24.893
  268    H    CYS  43           H        CYS  43   4.503   5.487 -27.577
  269    HA   CYS  43           HA       CYS  43   7.295   6.096 -27.426
  270    HB2  CYS  43           1HB      CYS  43   7.596   4.091 -28.797
  271    HB3  CYS  43           2HB      CYS  43   6.481   3.777 -27.471
  272    H1   NAG 101           H1       NAG 100   5.424  19.754 -20.948
  273    H2   NAG 101           HC2      NAG 100   7.486  19.690 -18.675
  274    H3   NAG 101           HC3      NAG 100   6.364  22.035 -20.316
  275    H4   NAG 101           HC4      NAG 100   9.140  20.714 -20.418
  276    H5   NAG 101           H5       NAG 100   6.777  20.588 -22.376
  277    H61  NAG 101           1H6      NAG 100   9.016  20.762 -23.498
  278    H62  NAG 101           2H6      NAG 100   9.619  19.417 -22.518
  279    H81  NAG 101           3H8      NAG 100   4.234  21.009 -16.020
  280    H82  NAG 101           1H8      NAG 100   3.225  19.810 -16.897
  281    H83  NAG 101           2H8      NAG 100   4.216  19.292 -15.492
  282    HN2  NAG 101           H2       NAG 100   4.968  21.251 -18.524
  283    HO3  NAG 101           H3       NAG 100   8.113  23.153 -19.238
  284    HO4  NAG 101           H4       NAG 100   9.597  22.261 -21.893
  285    HO6  NAG 101           HO6      NAG 100   7.572  18.262 -23.441
  286    H1   NAG 102           H1       NAG 200   6.353   2.260 -30.608
  287    H2   NAG 102           HC2      NAG 200   6.798   0.222 -28.355
  288    H3   NAG 102           HC3      NAG 200   7.137  -0.029 -31.401
  289    H4   NAG 102           HC4      NAG 200   4.970  -1.204 -29.559
  290    H5   NAG 102           H5       NAG 200   4.856   1.096 -31.591
  291    H61  NAG 102           1H6      NAG 200   2.822  -0.376 -31.609
  292    H62  NAG 102           2H6      NAG 200   2.679  -0.211 -29.853
  293    H81  NAG 102           3H8      NAG 200  10.993   1.534 -27.368
  294    H82  NAG 102           1H8      NAG 200  10.971   1.485 -29.163
  295    H83  NAG 102           2H8      NAG 200  10.539   3.000 -28.301
  296    HN2  NAG 102           H2       NAG 200   8.942   1.044 -30.233
  297    HO3  NAG 102           H3       NAG 200   7.340  -2.288 -30.826
  298    HO4  NAG 102           H4       NAG 200   4.222  -2.150 -31.381
  299    HO6  NAG 102           HO6      NAG 200   2.746   2.250 -30.412
  Start of MODEL    3
    1    H1   LYS   1           H        LYS   1   1.569  -2.190  -3.382
    2    HA   LYS   1           HA       LYS   1   2.330  -1.842  -5.512
    3    HB2  LYS   1           1HB      LYS   1   1.794   0.755  -4.253
    4    HB3  LYS   1           2HB      LYS   1   2.843   0.852  -5.662
    5    HG2  LYS   1           1HG      LYS   1   1.199   0.260  -7.101
    6    HG3  LYS   1           2HG      LYS   1   0.399  -0.791  -5.930
    7    HD2  LYS   1           1HD      LYS   1   0.086   1.683  -4.800
    8    HD3  LYS   1           2HD      LYS   1  -0.037   2.041  -6.525
    9    HE2  LYS   1           1HE      LYS   1  -1.924   0.750  -6.793
   10    HE3  LYS   1           2HE      LYS   1  -1.548  -0.276  -5.410
   11    HZ1  LYS   1           3HZ      LYS   1  -2.981   2.239  -5.510
   12    HZ2  LYS   1           1HZ      LYS   1  -1.896   2.086  -4.221
   13    HZ3  LYS   1           2HZ      LYS   1  -3.131   0.948  -4.427
   14    HA   PRO   2           HA       PRO   2   6.706  -1.785  -5.830
   15    HB2  PRO   2           1HB      PRO   2   7.096  -0.782  -8.322
   16    HB3  PRO   2           2HB      PRO   2   6.459  -2.405  -8.029
   17    HG2  PRO   2           1HG      PRO   2   4.989   0.113  -8.709
   18    HG3  PRO   2           2HG      PRO   2   4.748  -1.528  -9.337
   19    HD2  PRO   2           1HD      PRO   2   3.168  -0.456  -7.416
   20    HD3  PRO   2           2HD      PRO   2   3.536  -2.191  -7.491
   21    H    ALA   3           H        ALA   3   8.483  -0.173  -6.983
   22    HA   ALA   3           HA       ALA   3   8.299   2.249  -5.381
   23    HB1  ALA   3           1HB      ALA   3  10.661   1.548  -7.074
   24    HB2  ALA   3           2HB      ALA   3  10.600   2.408  -5.534
   25    HB3  ALA   3           3HB      ALA   3  10.344   0.663  -5.581
   26    H    TRP   4           H        TRP   4   7.019   1.581  -8.181
   27    HA   TRP   4           HA       TRP   4   7.944   3.995  -9.576
   28    HB2  TRP   4           1HB      TRP   4   6.044   2.208 -10.954
   29    HB3  TRP   4           2HB      TRP   4   7.520   2.963 -11.550
   30    HD1  TRP   4           HD1      TRP   4   9.741   1.693  -9.863
   31    HE1  TRP   4           HE1      TRP   4  10.241  -0.830  -9.953
   32    HE3  TRP   4           HE3      TRP   4   5.240   0.036 -11.634
   33    HZ2  TRP   4           HZ2      TRP   4   8.905  -3.208 -10.679
   34    HZ3  TRP   4           HZ3      TRP   4   4.933  -2.378 -12.000
   35    HH2  TRP   4           HH2      TRP   4   6.729  -3.964 -11.532
   36    H    CYS   5           H        CYS   5   5.018   2.326  -8.482
   37    HA   CYS   5           HA       CYS   5   3.415   4.694  -9.089
   38    HB2  CYS   5           1HB      CYS   5   2.415   2.095  -7.931
   39    HB3  CYS   5           2HB      CYS   5   1.495   3.329  -8.786
   40    H    TRP   6           H        TRP   6   1.468   4.586  -7.189
   41    HA   TRP   6           HA       TRP   6   2.668   4.589  -4.554
   42    HB2  TRP   6           1HB      TRP   6   2.855   6.928  -5.956
   43    HB3  TRP   6           2HB      TRP   6   1.330   7.153  -5.104
   44    HD1  TRP   6           HD1      TRP   6   5.015   7.374  -4.615
   45    HE1  TRP   6           HE1      TRP   6   5.551   7.894  -2.152
   46    HE3  TRP   6           HE3      TRP   6   0.395   6.550  -2.587
   47    HZ2  TRP   6           HZ2      TRP   6   4.196   7.947   0.323
   48    HZ3  TRP   6           HZ3      TRP   6   0.100   6.856  -0.163
   49    HH2  TRP   6           HH2      TRP   6   1.962   7.540   1.260
   50    H    TYR   7           H        TYR   7  -0.159   5.728  -6.402
   51    HA   TYR   7           HA       TYR   7  -1.935   4.003  -4.992
   52    HB2  TYR   7           1HB      TYR   7  -1.369   6.276  -3.587
   53    HB3  TYR   7           2HB      TYR   7  -2.789   6.777  -4.498
   54    HD1  TYR   7           HD2      TYR   7  -1.780   3.610  -2.777
   55    HD2  TYR   7           HD1      TYR   7  -4.695   6.678  -3.212
   56    HE1  TYR   7           HE2      TYR   7  -3.223   2.462  -1.150
   57    HE2  TYR   7           HE1      TYR   7  -6.146   5.539  -1.585
   58    HH   TYR   7           HH       TYR   7  -5.310   2.373  -0.280
   59    H    THR   8           H        THR   8  -4.328   5.299  -5.362
   60    HA   THR   8           HA       THR   8  -4.453   5.415  -8.287
   61    HB   THR   8           HB       THR   8  -6.851   5.296  -6.476
   62    HG1  THR   8           HG1      THR   8  -6.592   2.910  -6.967
   63   HG21  THR   8          3HG2      THR   8  -6.320   5.098  -9.327
   64   HG22  THR   8          1HG2      THR   8  -7.844   5.361  -8.481
   65   HG23  THR   8          2HG2      THR   8  -7.240   3.722  -8.720
   66    H    LEU   9           H        LEU   9  -3.593   7.662  -6.524
   67    HA   LEU   9           HA       LEU   9  -5.641   9.608  -6.407
   68    HB2  LEU   9           1HB      LEU   9  -2.702   9.562  -6.110
   69    HB3  LEU   9           2HB      LEU   9  -3.422  11.118  -6.518
   70    HG   LEU   9           HG       LEU   9  -4.936  10.759  -4.495
   71   HD11  LEU   9          1HD1      LEU   9  -4.357   9.194  -2.867
   72   HD12  LEU   9          2HD1      LEU   9  -2.784   8.876  -3.596
   73   HD13  LEU   9          3HD1      LEU   9  -4.252   8.291  -4.378
   74   HD21  LEU   9          3HD2      LEU   9  -3.541  12.074  -3.313
   75   HD22  LEU   9          1HD2      LEU   9  -2.584  12.050  -4.795
   76   HD23  LEU   9          2HD2      LEU   9  -2.183  10.958  -3.469
   77    H    ALA  10           H        ALA  10  -3.464   8.588  -8.924
   78    HA   ALA  10           HA       ALA  10  -3.337   9.101 -11.138
   79    HB1  ALA  10           1HB      ALA  10  -5.917   9.001 -10.747
   80    HB2  ALA  10           2HB      ALA  10  -5.822  10.746 -10.985
   81    HB3  ALA  10           3HB      ALA  10  -5.272   9.652 -12.254
   82    H    MET  11           H        MET  11  -1.573  10.501 -10.013
   83    HA   MET  11           HA       MET  11  -1.883  13.288  -9.821
   84    HB2  MET  11           1HB      MET  11   0.671  11.821 -10.490
   85    HB3  MET  11           2HB      MET  11   0.518  13.399  -9.729
   86    HG2  MET  11           1HG      MET  11   0.606  12.413  -7.757
   87    HG3  MET  11           2HG      MET  11  -0.925  11.620  -8.118
   88    HE1  MET  11           3HE      MET  11  -0.645   9.978  -6.679
   89    HE2  MET  11           1HE      MET  11  -0.121   8.395  -7.254
   90    HE3  MET  11           2HE      MET  11   0.940   9.353  -6.220
   91    H    CYS  12           H        CYS  12   0.017  11.584 -12.313
   92    HA   CYS  12           HA       CYS  12   0.208  13.697 -14.091
   93    HB2  CYS  12           1HB      CYS  12   0.883  12.106 -15.737
   94    HB3  CYS  12           2HB      CYS  12   1.456  11.504 -14.185
   95    H    GLY  13           H        GLY  13  -0.842  14.051 -16.160
   96    HA2  GLY  13           1HA      GLY  13  -2.663  13.899 -17.646
   97    HA3  GLY  13           2HA      GLY  13  -3.524  12.933 -16.457
   98    H    ALA  14           H        ALA  14  -2.728  15.019 -14.385
   99    HA   ALA  14           HA       ALA  14  -4.859  16.936 -15.066
  100    HB1  ALA  14           1HB      ALA  14  -5.099  17.236 -12.605
  101    HB2  ALA  14           2HB      ALA  14  -5.474  15.607 -13.171
  102    HB3  ALA  14           3HB      ALA  14  -3.932  15.932 -12.380
  103    H    GLY  15           H        GLY  15  -1.961  17.103 -15.734
  104    HA2  GLY  15           1HA      GLY  15  -0.871  19.222 -16.059
  105    HA3  GLY  15           2HA      GLY  15  -1.491  19.733 -14.496
  106    H    TYR  16           H        TYR  16  -0.724  17.016 -13.400
  107    HA   TYR  16           HA       TYR  16   1.661  17.711 -12.181
  108    HB2  TYR  16           1HB      TYR  16   0.087  15.232 -12.476
  109    HB3  TYR  16           2HB      TYR  16   1.788  14.996 -12.089
  110    HD1  TYR  16           HD2      TYR  16  -1.373  16.494 -10.922
  111    HD2  TYR  16           HD1      TYR  16   2.649  15.528  -9.925
  112    HE1  TYR  16           HE2      TYR  16  -1.853  16.962  -8.555
  113    HE2  TYR  16           HE1      TYR  16   2.179  15.991  -7.556
  114    HH   TYR  16           HH       TYR  16   0.411  17.498  -6.290
  115    H    ASP  17           H        ASP  17   1.104  16.118 -15.240
  116    HA   ASP  17           HA       ASP  17   4.014  16.107 -15.703
  117    HB2  ASP  17           1HB      ASP  17   1.978  14.100 -16.693
  118    HB3  ASP  17           2HB      ASP  17   3.669  14.142 -17.185
  119    H    SER  18           H        SER  18   4.206  15.652 -18.311
  120    HA   SER  18           HA       SER  18   3.146  18.086 -19.459
  121    HB2  SER  18           1HB      SER  18   5.099  16.001 -20.423
  122    HB3  SER  18           2HB      SER  18   4.519  17.289 -21.479
  123    H    GLY  19           H        GLY  19   0.917  17.236 -19.238
  124    HA2  GLY  19           1HA      GLY  19  -0.148  15.138 -18.819
  125    HA3  GLY  19           2HA      GLY  19  -0.621  15.575 -20.454
  126    H    THR  20           H        THR  20   1.785  13.763 -18.596
  127    HA   THR  20           HA       THR  20   1.727  11.665 -20.604
  128    HB   THR  20           HB       THR  20   3.555  13.255 -21.305
  129    HG1  THR  20           HG1      THR  20   4.988  11.535 -21.711
  130   HG21  THR  20          3HG2      THR  20   4.887  12.230 -18.795
  131   HG22  THR  20          1HG2      THR  20   4.318  13.879 -19.052
  132   HG23  THR  20          2HG2      THR  20   5.636  13.238 -20.032
  133    H    CYS  21           H        CYS  21   2.102   9.667 -19.767
  134    HA   CYS  21           HA       CYS  21   3.076   9.504 -16.997
  135    HB2  CYS  21           1HB      CYS  21   0.811   7.810 -18.048
  136    HB3  CYS  21           2HB      CYS  21   1.357   7.972 -16.382
  137    H    ASP  22           H        ASP  22   3.166   6.902 -16.537
  138    HA   ASP  22           HA       ASP  22   4.277   5.476 -18.803
  139    HB2  ASP  22           1HB      ASP  22   5.952   6.816 -16.838
  140    HB3  ASP  22           2HB      ASP  22   6.263   5.083 -16.891
  141    H    TYR  23           H        TYR  23   4.774   5.118 -15.304
  142    HA   TYR  23           HA       TYR  23   4.169   2.364 -15.312
  143    HB2  TYR  23           1HB      TYR  23   4.000   4.160 -12.895
  144    HB3  TYR  23           2HB      TYR  23   4.406   2.448 -12.948
  145    HD1  TYR  23           HD2      TYR  23   6.512   2.019 -14.662
  146    HD2  TYR  23           HD1      TYR  23   5.764   5.549 -12.406
  147    HE1  TYR  23           HE2      TYR  23   8.903   2.586 -14.767
  148    HE2  TYR  23           HE1      TYR  23   8.152   6.126 -12.506
  149    HH   TYR  23           HH       TYR  23  10.139   5.437 -14.314
  150    H    MET  24           H        MET  24   2.192   5.189 -15.059
  151    HA   MET  24           HA       MET  24  -0.047   4.094 -13.756
  152    HB2  MET  24           1HB      MET  24   0.270   6.379 -15.694
  153    HB3  MET  24           2HB      MET  24  -1.292   5.948 -15.011
  154    HG2  MET  24           1HG      MET  24  -0.643   7.557 -13.543
  155    HG3  MET  24           2HG      MET  24   0.008   6.129 -12.742
  156    HE1  MET  24           3HE      MET  24   2.589   6.752 -11.567
  157    HE2  MET  24           1HE      MET  24   2.169   5.396 -12.613
  158    HE3  MET  24           2HE      MET  24   3.653   6.305 -12.901
  159    H    TYR  25           H        TYR  25   0.813   4.290 -17.188
  160    HA   TYR  25           HA       TYR  25  -1.586   3.147 -18.161
  161    HB2  TYR  25           1HB      TYR  25   1.157   3.548 -19.315
  162    HB3  TYR  25           2HB      TYR  25  -0.056   2.630 -20.199
  163    HD1  TYR  25           HD1      TYR  25  -0.060   5.817 -18.233
  164    HD2  TYR  25           HD2      TYR  25  -1.041   3.853 -21.878
  165    HE1  TYR  25           HE1      TYR  25  -1.008   7.914 -19.102
  166    HE2  TYR  25           HE2      TYR  25  -1.990   5.945 -22.757
  167    HH   TYR  25           HH       TYR  25  -2.358   8.786 -20.738
  168    H    SER  26           H        SER  26   0.951   1.803 -16.426
  169    HA   SER  26           HA       SER  26   0.787  -0.841 -17.607
  170    HB2  SER  26           1HB      SER  26   2.881   0.283 -16.540
  171    HB3  SER  26           2HB      SER  26   2.170  -0.229 -15.010
  172    HG   SER  26           HG       SER  26   3.231  -2.002 -15.488
  173    H    HIS  27           H        HIS  27  -1.623   0.329 -16.458
  174    HA   HIS  27           HA       HIS  27  -3.388  -0.232 -15.133
  175    HB2  HIS  27           1HB      HIS  27  -2.662  -2.478 -16.345
  176    HB3  HIS  27           2HB      HIS  27  -2.277  -2.968 -14.698
  177    HD1  HIS  27           HD1      HIS  27  -4.133  -4.415 -13.944
  178    HD2  HIS  27           HD2      HIS  27  -5.511  -1.096 -16.030
  179    HE1  HIS  27           HE1      HIS  27  -6.642  -4.542 -13.828
  180    H    CYS  28           H        CYS  28  -1.675   1.178 -13.706
  181    HA   CYS  28           HA       CYS  28  -1.390  -0.272 -11.156
  182    HB2  CYS  28           1HB      CYS  28   0.649   0.831 -12.504
  183    HB3  CYS  28           2HB      CYS  28   0.121   2.247 -11.600
  184    H    PHE  29           H        PHE  29  -2.868   2.337 -12.793
  185    HA   PHE  29           HA       PHE  29  -3.832   3.431 -10.232
  186    HB2  PHE  29           1HB      PHE  29  -3.188   4.777 -12.838
  187    HB3  PHE  29           2HB      PHE  29  -4.338   5.504 -11.720
  188    HD1  PHE  29           HD2      PHE  29  -1.027   3.809 -11.369
  189    HD2  PHE  29           HD1      PHE  29  -3.425   7.223 -10.523
  190    HE1  PHE  29           HE2      PHE  29   0.836   4.800 -10.104
  191    HE2  PHE  29           HE1      PHE  29  -1.565   8.220  -9.258
  192    HZ   PHE  29           HZ       PHE  29   0.569   7.008  -9.046
  193    H    GLY  30           H        GLY  30  -4.662   2.101 -13.312
  194    HA2  GLY  30           1HA      GLY  30  -6.710   1.121 -13.868
  195    HA3  GLY  30           2HA      GLY  30  -7.442   1.919 -12.484
  196    H    VAL  31           H        VAL  31  -5.525   3.703 -14.777
  197    HA   VAL  31           HA       VAL  31  -7.946   5.150 -15.590
  198    HB   VAL  31           HB       VAL  31  -6.443   6.943 -16.319
  199   HG11  VAL  31          1HG1      VAL  31  -6.562   7.763 -14.258
  200   HG12  VAL  31          2HG1      VAL  31  -6.958   6.142 -13.682
  201   HG13  VAL  31          3HG1      VAL  31  -5.280   6.685 -13.707
  202   HG21  VAL  31          3HG2      VAL  31  -4.420   4.865 -15.880
  203   HG22  VAL  31          1HG2      VAL  31  -4.398   6.265 -16.953
  204   HG23  VAL  31          2HG2      VAL  31  -3.988   6.454 -15.248
  205    H    LYS  32           H        LYS  32  -5.202   3.361 -16.842
  206    HA   LYS  32           HA       LYS  32  -5.468   3.970 -19.562
  207    HB2  LYS  32           1HB      LYS  32  -3.610   2.664 -18.305
  208    HB3  LYS  32           2HB      LYS  32  -4.621   1.254 -18.596
  209    HG2  LYS  32           1HG      LYS  32  -4.124   2.915 -20.961
  210    HG3  LYS  32           2HG      LYS  32  -2.691   2.148 -20.273
  211    HD2  LYS  32           1HD      LYS  32  -5.239   0.682 -20.950
  212    HD3  LYS  32           2HD      LYS  32  -3.842   0.789 -22.023
  213    HE2  LYS  32           1HE      LYS  32  -2.493  -0.171 -20.083
  214    HE3  LYS  32           2HE      LYS  32  -4.046  -0.559 -19.344
  215    HZ1  LYS  32           3HZ      LYS  32  -2.654  -2.031 -21.244
  216    HZ2  LYS  32           1HZ      LYS  32  -4.035  -1.438 -22.020
  217    HZ3  LYS  32           2HZ      LYS  32  -4.187  -2.354 -20.606
  218    H    HIS  33           H        HIS  33  -6.461   2.850 -21.276
  219    HA   HIS  33           HA       HIS  33  -8.918   1.468 -20.487
  220    HB2  HIS  33           1HB      HIS  33  -8.051   2.932 -22.961
  221    HB3  HIS  33           2HB      HIS  33  -9.400   1.801 -23.027
  222    HD1  HIS  33           HD1      HIS  33  -8.497   5.216 -22.004
  223    HD2  HIS  33           HD2      HIS  33 -11.651   2.577 -21.411
  224    HE1  HIS  33           HE1      HIS  33 -10.388   6.617 -21.117
  225    H    SER  34           H        SER  34  -8.985  -0.669 -20.555
  226    HA   SER  34           HA       SER  34  -6.947  -2.322 -21.452
  227    HB2  SER  34           1HB      SER  34  -9.864  -2.810 -20.902
  228    HB3  SER  34           2HB      SER  34  -8.825  -4.110 -21.485
  229    HG   SER  34           HG       SER  34  -7.727  -4.091 -19.637
  230    H    SER  35           H        SER  35  -7.069  -3.971 -23.193
  231    HA   SER  35           HA       SER  35  -7.396  -2.717 -25.711
  232    HB2  SER  35           1HB      SER  35  -5.724  -4.486 -25.301
  233    HB3  SER  35           2HB      SER  35  -7.024  -5.657 -25.083
  234    HG   SER  35           HG       SER  35  -7.190  -5.811 -27.168
  235    H    GLY  36           H        GLY  36  -9.273  -5.183 -23.986
  236    HA2  GLY  36           1HA      GLY  36 -11.780  -4.505 -24.651
  237    HA3  GLY  36           2HA      GLY  36 -11.240  -5.305 -26.119
  238    H    GLY  37           H        GLY  37  -9.570  -7.243 -24.762
  239    HA2  GLY  37           1HA      GLY  37 -11.725  -8.995 -23.789
  240    HA3  GLY  37           2HA      GLY  37 -10.209  -9.539 -24.492
  241    H    GLY  38           H        GLY  38 -10.426 -10.918 -22.462
  242    HA2  GLY  38           1HA      GLY  38  -9.701 -11.448 -20.348
  243    HA3  GLY  38           2HA      GLY  38  -8.451 -10.248 -20.640
  244    H    GLY  39           H        GLY  39 -11.966 -10.189 -20.004
  245    HA2  GLY  39           1HA      GLY  39 -12.440  -9.383 -17.621
  246    HA3  GLY  39           2HA      GLY  39 -11.461  -8.002 -18.093
  247    H    SER  40           H        SER  40 -14.425  -9.773 -18.854
  248    HA   SER  40           HA       SER  40 -15.482  -7.358 -20.154
  249    HB2  SER  40           1HB      SER  40 -15.528  -9.486 -21.458
  250    HB3  SER  40           2HB      SER  40 -16.598 -10.171 -20.235
  251    HG   SER  40           HG       SER  40 -18.025  -9.374 -21.612
  252    H    TYR  41           H        TYR  41 -15.543  -6.681 -17.742
  253    HA   TYR  41           HA       TYR  41 -17.695  -7.760 -16.175
  254    HB2  TYR  41           1HB      TYR  41 -15.482  -6.521 -15.430
  255    HB3  TYR  41           2HB      TYR  41 -16.491  -5.087 -15.591
  256    HD1  TYR  41           HD1      TYR  41 -15.918  -8.166 -13.695
  257    HD2  TYR  41           HD2      TYR  41 -18.356  -4.701 -14.082
  258    HE1  TYR  41           HE1      TYR  41 -16.848  -8.577 -11.455
  259    HE2  TYR  41           HE2      TYR  41 -19.292  -5.102 -11.843
  260    HH   TYR  41           HH       TYR  41 -19.516  -6.684 -10.198
  261    H    HIS  42           H        HIS  42 -19.523  -6.483 -15.421
  262    HA   HIS  42           HA       HIS  42 -20.662  -4.916 -17.608
  263    HB2  HIS  42           1HB      HIS  42 -21.823  -6.346 -15.235
  264    HB3  HIS  42           2HB      HIS  42 -22.765  -5.131 -16.094
  265    HD1  HIS  42           HD1      HIS  42 -24.462  -6.774 -17.046
  266    HD2  HIS  42           HD2      HIS  42 -20.536  -7.695 -18.046
  267    HE1  HIS  42           HE1      HIS  42 -24.618  -8.559 -18.811
  268    H    CYS  43           H        CYS  43 -18.642  -3.647 -16.122
  269    HA   CYS  43           HA       CYS  43 -20.155  -1.660 -14.561
  270    HB2  CYS  43           1HB      CYS  43 -18.396  -2.837 -13.292
  271    HB3  CYS  43           2HB      CYS  43 -17.198  -2.292 -14.461
  272    H1   NAG 101           H1       NAG 100   5.576  19.541 -20.912
  273    H2   NAG 101           HC2      NAG 100   7.473  19.596 -18.499
  274    H3   NAG 101           HC3      NAG 100   6.460  21.855 -20.323
  275    H4   NAG 101           HC4      NAG 100   9.242  20.549 -20.168
  276    H5   NAG 101           H5       NAG 100   7.023  20.317 -22.279
  277    H61  NAG 101           1H6      NAG 100   9.335  20.453 -23.247
  278    H62  NAG 101           2H6      NAG 100   9.873  19.160 -22.166
  279    H81  NAG 101           3H8      NAG 100   4.108  20.966 -16.019
  280    H82  NAG 101           1H8      NAG 100   3.107  19.914 -17.075
  281    H83  NAG 101           2H8      NAG 100   3.906  19.226 -15.622
  282    HN2  NAG 101           H2       NAG 100   4.944  21.144 -18.599
  283    HO3  NAG 101           H3       NAG 100   8.125  23.033 -19.178
  284    HO4  NAG 101           H4       NAG 100   9.797  22.029 -21.677
  285    HO6  NAG 101           HO6      NAG 100   7.899  17.950 -23.175
  286    H1   NAG 102           H1       NAG 200 -17.392   1.139 -11.989
  287    H2   NAG 102           HC2      NAG 200 -15.240   0.016 -10.110
  288    H3   NAG 102           HC3      NAG 200 -16.042   2.913 -10.758
  289    H4   NAG 102           HC4      NAG 200 -13.542   1.329 -11.599
  290    H5   NAG 102           H5       NAG 200 -16.004   2.210 -13.210
  291    H61  NAG 102           1H6      NAG 200 -13.839   2.439 -14.460
  292    H62  NAG 102           2H6      NAG 200 -13.417   0.770 -14.047
  293    H81  NAG 102           3H8      NAG 200 -18.487  -1.037  -7.021
  294    H82  NAG 102           1H8      NAG 200 -17.952   0.648  -6.705
  295    H83  NAG 102           2H8      NAG 200 -19.257   0.329  -7.897
  296    HN2  NAG 102           H2       NAG 200 -17.442   1.769  -9.174
  297    HO3  NAG 102           H3       NAG 200 -14.067   3.339  -9.580
  298    HO4  NAG 102           H4       NAG 200 -12.917   3.204 -12.530
  299    HO6  NAG 102           HO6      NAG 200 -15.682   0.298 -15.058
  Start of MODEL    4
    1    H1   LYS   1           H        LYS   1   3.072  -1.858  -2.736
    2    HA   LYS   1           HA       LYS   1   2.392  -1.921  -5.414
    3    HB2  LYS   1           1HB      LYS   1   2.085   0.764  -4.150
    4    HB3  LYS   1           2HB      LYS   1   2.776   0.682  -5.765
    5    HG2  LYS   1           1HG      LYS   1   0.826  -0.037  -6.717
    6    HG3  LYS   1           2HG      LYS   1   0.248  -0.788  -5.227
    7    HD2  LYS   1           1HD      LYS   1  -0.333   1.320  -4.293
    8    HD3  LYS   1           2HD      LYS   1   0.508   2.192  -5.576
    9    HE2  LYS   1           1HE      LYS   1  -1.718   2.363  -6.206
   10    HE3  LYS   1           2HE      LYS   1  -1.145   0.993  -7.157
   11    HZ1  LYS   1           3HZ      LYS   1  -2.817  -0.148  -6.282
   12    HZ2  LYS   1           1HZ      LYS   1  -3.185   1.079  -5.176
   13    HZ3  LYS   1           2HZ      LYS   1  -2.022  -0.087  -4.790
   14    HA   PRO   2           HA       PRO   2   6.758  -1.820  -5.835
   15    HB2  PRO   2           1HB      PRO   2   7.084  -0.786  -8.324
   16    HB3  PRO   2           2HB      PRO   2   6.467  -2.417  -8.035
   17    HG2  PRO   2           1HG      PRO   2   4.961   0.096  -8.654
   18    HG3  PRO   2           2HG      PRO   2   4.719  -1.540  -9.294
   19    HD2  PRO   2           1HD      PRO   2   3.175  -0.503  -7.327
   20    HD3  PRO   2           2HD      PRO   2   3.555  -2.234  -7.430
   21    H    ALA   3           H        ALA   3   8.504  -0.187  -6.990
   22    HA   ALA   3           HA       ALA   3   8.321   2.224  -5.372
   23    HB1  ALA   3           1HB      ALA   3  10.663   1.469  -7.086
   24    HB2  ALA   3           2HB      ALA   3  10.633   2.432  -5.609
   25    HB3  ALA   3           3HB      ALA   3  10.371   0.690  -5.530
   26    H    TRP   4           H        TRP   4   7.014   1.568  -8.157
   27    HA   TRP   4           HA       TRP   4   7.936   3.969  -9.574
   28    HB2  TRP   4           1HB      TRP   4   5.959   2.193 -10.871
   29    HB3  TRP   4           2HB      TRP   4   7.402   2.954 -11.536
   30    HD1  TRP   4           HD1      TRP   4   9.690   1.690  -9.905
   31    HE1  TRP   4           HE1      TRP   4  10.202  -0.829 -10.035
   32    HE3  TRP   4           HE3      TRP   4   5.155   0.025 -11.578
   33    HZ2  TRP   4           HZ2      TRP   4   8.861  -3.207 -10.751
   34    HZ3  TRP   4           HZ3      TRP   4   4.852  -2.387 -11.961
   35    HH2  TRP   4           HH2      TRP   4   6.668  -3.968 -11.556
   36    H    CYS   5           H        CYS   5   4.914   2.309  -8.675
   37    HA   CYS   5           HA       CYS   5   3.379   4.721  -9.161
   38    HB2  CYS   5           1HB      CYS   5   2.339   2.176  -7.929
   39    HB3  CYS   5           2HB      CYS   5   1.446   3.397  -8.830
   40    H    TRP   6           H        TRP   6   1.468   4.679  -7.224
   41    HA   TRP   6           HA       TRP   6   2.713   4.696  -4.612
   42    HB2  TRP   6           1HB      TRP   6   2.918   7.013  -6.058
   43    HB3  TRP   6           2HB      TRP   6   1.425   7.282  -5.163
   44    HD1  TRP   6           HD1      TRP   6   5.154   7.290  -4.765
   45    HE1  TRP   6           HE1      TRP   6   5.767   7.878  -2.335
   46    HE3  TRP   6           HE3      TRP   6   0.517   6.916  -2.644
   47    HZ2  TRP   6           HZ2      TRP   6   4.458   8.148   0.151
   48    HZ3  TRP   6           HZ3      TRP   6   0.284   7.354  -0.235
   49    HH2  TRP   6           HH2      TRP   6   2.215   7.957   1.133
   50    H    TYR   7           H        TYR   7  -0.109   5.574  -6.565
   51    HA   TYR   7           HA       TYR   7  -1.891   4.010  -5.056
   52    HB2  TYR   7           1HB      TYR   7  -1.290   6.324  -3.709
   53    HB3  TYR   7           2HB      TYR   7  -2.743   6.783  -4.591
   54    HD1  TYR   7           HD2      TYR   7  -1.623   3.689  -2.805
   55    HD2  TYR   7           HD1      TYR   7  -4.623   6.669  -3.271
   56    HE1  TYR   7           HE2      TYR   7  -3.001   2.558  -1.111
   57    HE2  TYR   7           HE1      TYR   7  -6.010   5.547  -1.578
   58    HH   TYR   7           HH       TYR   7  -5.985   2.767  -0.728
   59    H    THR   8           H        THR   8  -4.275   5.326  -5.421
   60    HA   THR   8           HA       THR   8  -4.414   5.440  -8.350
   61    HB   THR   8           HB       THR   8  -6.804   5.246  -6.537
   62    HG1  THR   8           HG1      THR   8  -6.296   3.251  -6.067
   63   HG21  THR   8          3HG2      THR   8  -6.425   5.361  -9.322
   64   HG22  THR   8          1HG2      THR   8  -7.924   5.036  -8.453
   65   HG23  THR   8          2HG2      THR   8  -6.888   3.700  -8.955
   66    H    LEU   9           H        LEU   9  -3.584   7.687  -6.593
   67    HA   LEU   9           HA       LEU   9  -5.678   9.585  -6.434
   68    HB2  LEU   9           1HB      LEU   9  -2.745   9.585  -6.125
   69    HB3  LEU   9           2HB      LEU   9  -3.472  11.133  -6.553
   70    HG   LEU   9           HG       LEU   9  -4.850   9.831  -4.347
   71   HD11  LEU   9          1HD1      LEU   9  -3.181   9.870  -2.712
   72   HD12  LEU   9          2HD1      LEU   9  -2.055  10.743  -3.751
   73   HD13  LEU   9          3HD1      LEU   9  -2.430   9.052  -4.082
   74   HD21  LEU   9          3HD2      LEU   9  -4.484  12.056  -3.330
   75   HD22  LEU   9          1HD2      LEU   9  -5.216  12.140  -4.932
   76   HD23  LEU   9          2HD2      LEU   9  -3.502  12.502  -4.727
   77    H    ALA  10           H        ALA  10  -3.532   8.607  -8.981
   78    HA   ALA  10           HA       ALA  10  -3.439   9.138 -11.194
   79    HB1  ALA  10           1HB      ALA  10  -5.382   9.768 -12.278
   80    HB2  ALA  10           2HB      ALA  10  -6.000   9.036 -10.796
   81    HB3  ALA  10           3HB      ALA  10  -5.917  10.792 -10.946
   82    H    MET  11           H        MET  11  -1.650  10.514 -10.052
   83    HA   MET  11           HA       MET  11  -1.940  13.306  -9.861
   84    HB2  MET  11           1HB      MET  11   0.602  11.800 -10.490
   85    HB3  MET  11           2HB      MET  11   0.468  13.394  -9.760
   86    HG2  MET  11           1HG      MET  11   0.457  12.477  -7.755
   87    HG3  MET  11           2HG      MET  11  -1.017  11.601  -8.160
   88    HE1  MET  11           3HE      MET  11  -0.197   8.441  -7.296
   89    HE2  MET  11           1HE      MET  11   0.838   9.347  -6.191
   90    HE3  MET  11           2HE      MET  11  -0.719  10.012  -6.685
   91    H    CYS  12           H        CYS  12  -0.021  11.584 -12.325
   92    HA   CYS  12           HA       CYS  12   0.203  13.689 -14.108
   93    HB2  CYS  12           1HB      CYS  12   0.885  12.088 -15.742
   94    HB3  CYS  12           2HB      CYS  12   1.439  11.489 -14.182
   95    H    GLY  13           H        GLY  13  -0.849  14.142 -16.117
   96    HA2  GLY  13           1HA      GLY  13  -2.645  13.986 -17.647
   97    HA3  GLY  13           2HA      GLY  13  -3.518  12.999 -16.485
   98    H    ALA  14           H        ALA  14  -2.728  15.068 -14.379
   99    HA   ALA  14           HA       ALA  14  -4.866  16.981 -15.043
  100    HB1  ALA  14           1HB      ALA  14  -3.939  15.966 -12.361
  101    HB2  ALA  14           2HB      ALA  14  -5.131  17.247 -12.588
  102    HB3  ALA  14           3HB      ALA  14  -5.471  15.615 -13.164
  103    H    GLY  15           H        GLY  15  -1.936  17.137 -15.661
  104    HA2  GLY  15           1HA      GLY  15  -0.855  19.269 -15.970
  105    HA3  GLY  15           2HA      GLY  15  -1.493  19.768 -14.411
  106    H    TYR  16           H        TYR  16  -0.707  16.968 -13.425
  107    HA   TYR  16           HA       TYR  16   1.674  17.690 -12.159
  108    HB2  TYR  16           1HB      TYR  16   0.070  15.227 -12.429
  109    HB3  TYR  16           2HB      TYR  16   1.768  14.976 -12.040
  110    HD1  TYR  16           HD2      TYR  16  -1.419  16.345 -10.861
  111    HD2  TYR  16           HD1      TYR  16   2.677  15.695  -9.909
  112    HE1  TYR  16           HE2      TYR  16  -1.895  16.841  -8.499
  113    HE2  TYR  16           HE1      TYR  16   2.212  16.188  -7.545
  114    HH   TYR  16           HH       TYR  16  -0.920  16.344  -6.282
  115    H    ASP  17           H        ASP  17   1.092  16.137 -15.223
  116    HA   ASP  17           HA       ASP  17   4.002  16.035 -15.672
  117    HB2  ASP  17           1HB      ASP  17   1.902  14.110 -16.690
  118    HB3  ASP  17           2HB      ASP  17   3.590  14.107 -17.193
  119    H    SER  18           H        SER  18   4.185  15.604 -18.289
  120    HA   SER  18           HA       SER  18   3.193  18.087 -19.406
  121    HB2  SER  18           1HB      SER  18   5.302  16.122 -20.091
  122    HB3  SER  18           2HB      SER  18   4.553  16.955 -21.453
  123    H    GLY  19           H        GLY  19   0.952  17.234 -19.207
  124    HA2  GLY  19           1HA      GLY  19  -0.131  15.140 -18.843
  125    HA3  GLY  19           2HA      GLY  19  -0.576  15.600 -20.479
  126    H    THR  20           H        THR  20   1.761  13.733 -18.594
  127    HA   THR  20           HA       THR  20   1.727  11.657 -20.614
  128    HB   THR  20           HB       THR  20   3.509  12.956 -21.534
  129    HG1  THR  20           HG1      THR  20   5.205  11.453 -21.330
  130   HG21  THR  20          3HG2      THR  20   5.560  13.398 -20.050
  131   HG22  THR  20          1HG2      THR  20   4.467  13.135 -18.692
  132   HG23  THR  20          2HG2      THR  20   4.153  14.439 -19.837
  133    H    CYS  21           H        CYS  21   2.056   9.666 -19.762
  134    HA   CYS  21           HA       CYS  21   3.059   9.506 -17.000
  135    HB2  CYS  21           1HB      CYS  21   0.806   7.798 -18.054
  136    HB3  CYS  21           2HB      CYS  21   1.350   7.961 -16.388
  137    H    ASP  22           H        ASP  22   3.094   6.866 -16.574
  138    HA   ASP  22           HA       ASP  22   4.228   5.453 -18.825
  139    HB2  ASP  22           1HB      ASP  22   5.918   6.827 -16.907
  140    HB3  ASP  22           2HB      ASP  22   6.231   5.094 -16.913
  141    H    TYR  23           H        TYR  23   4.758   5.124 -15.328
  142    HA   TYR  23           HA       TYR  23   4.177   2.365 -15.310
  143    HB2  TYR  23           1HB      TYR  23   4.012   4.181 -12.908
  144    HB3  TYR  23           2HB      TYR  23   4.427   2.471 -12.947
  145    HD1  TYR  23           HD2      TYR  23   6.517   2.054 -14.700
  146    HD2  TYR  23           HD1      TYR  23   5.777   5.568 -12.418
  147    HE1  TYR  23           HE2      TYR  23   8.905   2.632 -14.827
  148    HE2  TYR  23           HE1      TYR  23   8.162   6.156 -12.539
  149    HH   TYR  23           HH       TYR  23  10.521   3.975 -13.991
  150    H    MET  24           H        MET  24   2.178   5.176 -15.062
  151    HA   MET  24           HA       MET  24  -0.043   4.068 -13.737
  152    HB2  MET  24           1HB      MET  24   0.241   6.349 -15.684
  153    HB3  MET  24           2HB      MET  24  -1.312   5.908 -14.986
  154    HG2  MET  24           1HG      MET  24  -0.661   7.527 -13.529
  155    HG3  MET  24           2HG      MET  24   0.008   6.106 -12.729
  156    HE1  MET  24           3HE      MET  24   3.666   6.408 -12.826
  157    HE2  MET  24           1HE      MET  24   2.493   6.730 -11.548
  158    HE3  MET  24           2HE      MET  24   2.237   5.385 -12.661
  159    H    TYR  25           H        TYR  25   0.796   4.255 -17.174
  160    HA   TYR  25           HA       TYR  25  -1.601   3.097 -18.132
  161    HB2  TYR  25           1HB      TYR  25   1.137   3.498 -19.300
  162    HB3  TYR  25           2HB      TYR  25  -0.082   2.577 -20.174
  163    HD1  TYR  25           HD1      TYR  25  -0.042   5.779 -18.231
  164    HD2  TYR  25           HD2      TYR  25  -1.110   3.787 -21.836
  165    HE1  TYR  25           HE1      TYR  25  -0.992   7.874 -19.101
  166    HE2  TYR  25           HE2      TYR  25  -2.062   5.877 -22.716
  167    HH   TYR  25           HH       TYR  25  -2.914   8.391 -20.960
  168    H    SER  26           H        SER  26   0.939   1.771 -16.392
  169    HA   SER  26           HA       SER  26   0.796  -0.877 -17.563
  170    HB2  SER  26           1HB      SER  26   2.863   0.292 -16.451
  171    HB3  SER  26           2HB      SER  26   2.147  -0.293 -14.949
  172    HG   SER  26           HG       SER  26   3.471  -1.667 -16.900
  173    H    HIS  27           H        HIS  27  -1.638   0.258 -16.460
  174    HA   HIS  27           HA       HIS  27  -3.410  -0.309 -15.148
  175    HB2  HIS  27           1HB      HIS  27  -2.839  -2.505 -16.363
  176    HB3  HIS  27           2HB      HIS  27  -2.139  -3.021 -14.831
  177    HD1  HIS  27           HD1      HIS  27  -4.013  -4.902 -14.856
  178    HD2  HIS  27           HD2      HIS  27  -5.391  -1.003 -14.453
  179    HE1  HIS  27           HE1      HIS  27  -6.383  -5.108 -14.040
  180    H    CYS  28           H        CYS  28  -1.716   1.131 -13.717
  181    HA   CYS  28           HA       CYS  28  -1.463  -0.289 -11.146
  182    HB2  CYS  28           1HB      CYS  28   0.593   0.802 -12.480
  183    HB3  CYS  28           2HB      CYS  28   0.051   2.227 -11.599
  184    H    PHE  29           H        PHE  29  -2.905   2.314 -12.835
  185    HA   PHE  29           HA       PHE  29  -3.911   3.430 -10.300
  186    HB2  PHE  29           1HB      PHE  29  -3.226   4.747 -12.910
  187    HB3  PHE  29           2HB      PHE  29  -4.395   5.486 -11.820
  188    HD1  PHE  29           HD2      PHE  29  -1.101   3.786 -11.370
  189    HD2  PHE  29           HD1      PHE  29  -3.493   7.232 -10.651
  190    HE1  PHE  29           HE2      PHE  29   0.741   4.792 -10.085
  191    HE2  PHE  29           HE1      PHE  29  -1.656   8.244  -9.366
  192    HZ   PHE  29           HZ       PHE  29   0.464   7.024  -9.081
  193    H    GLY  30           H        GLY  30  -4.696   2.069 -13.378
  194    HA2  GLY  30           1HA      GLY  30  -6.774   1.012 -13.808
  195    HA3  GLY  30           2HA      GLY  30  -7.524   2.057 -12.611
  196    H    VAL  31           H        VAL  31  -5.391   3.415 -14.983
  197    HA   VAL  31           HA       VAL  31  -7.689   4.779 -16.198
  198    HB   VAL  31           HB       VAL  31  -6.052   6.407 -17.056
  199   HG11  VAL  31          1HG1      VAL  31  -7.080   6.958 -14.988
  200   HG12  VAL  31          2HG1      VAL  31  -6.021   5.866 -14.094
  201   HG13  VAL  31          3HG1      VAL  31  -5.365   7.334 -14.820
  202   HG21  VAL  31          3HG2      VAL  31  -4.112   4.992 -17.286
  203   HG22  VAL  31          1HG2      VAL  31  -3.729   6.328 -16.200
  204   HG23  VAL  31          2HG2      VAL  31  -4.056   4.725 -15.543
  205    H    LYS  32           H        LYS  32  -4.910   2.774 -16.937
  206    HA   LYS  32           HA       LYS  32  -4.866   2.993 -19.713
  207    HB2  LYS  32           1HB      LYS  32  -3.116   1.850 -18.443
  208    HB3  LYS  32           2HB      LYS  32  -4.249   0.582 -17.995
  209    HG2  LYS  32           1HG      LYS  32  -3.133  -0.416 -19.723
  210    HG3  LYS  32           2HG      LYS  32  -4.501   0.298 -20.580
  211    HD2  LYS  32           1HD      LYS  32  -1.917   1.789 -20.264
  212    HD3  LYS  32           2HD      LYS  32  -2.138   0.611 -21.560
  213    HE2  LYS  32           1HE      LYS  32  -4.414   2.071 -21.785
  214    HE3  LYS  32           2HE      LYS  32  -3.282   3.300 -21.222
  215    HZ1  LYS  32           3HZ      LYS  32  -3.421   1.958 -23.770
  216    HZ2  LYS  32           1HZ      LYS  32  -1.859   2.038 -23.125
  217    HZ3  LYS  32           2HZ      LYS  32  -2.746   3.457 -23.371
  218    H    HIS  33           H        HIS  33  -6.280   2.456 -21.233
  219    HA   HIS  33           HA       HIS  33  -8.756   1.227 -20.640
  220    HB2  HIS  33           1HB      HIS  33  -7.401   1.819 -23.276
  221    HB3  HIS  33           2HB      HIS  33  -9.047   1.207 -23.140
  222    HD1  HIS  33           HD1      HIS  33 -10.001   2.996 -20.790
  223    HD2  HIS  33           HD2      HIS  33  -7.921   4.365 -24.116
  224    HE1  HIS  33           HE1      HIS  33 -10.559   5.442 -20.972
  225    H    SER  34           H        SER  34  -9.449  -0.833 -20.809
  226    HA   SER  34           HA       SER  34  -7.435  -2.855 -21.512
  227    HB2  SER  34           1HB      SER  34  -8.454  -2.891 -19.206
  228    HB3  SER  34           2HB      SER  34 -10.000  -3.276 -19.964
  229    HG   SER  34           HG       SER  34  -8.804  -5.137 -19.256
  230    H    SER  35           H        SER  35  -8.701  -1.579 -23.624
  231    HA   SER  35           HA       SER  35 -10.982  -3.028 -24.538
  232    HB2  SER  35           1HB      SER  35 -10.407  -0.709 -25.275
  233    HB3  SER  35           2HB      SER  35  -9.044  -1.376 -26.174
  234    HG   SER  35           HG       SER  35 -11.805  -1.857 -26.591
  235    H    GLY  36           H        GLY  36 -10.218  -5.215 -24.230
  236    HA2  GLY  36           1HA      GLY  36  -9.306  -6.398 -26.630
  237    HA3  GLY  36           2HA      GLY  36  -7.985  -6.335 -25.473
  238    H    GLY  37           H        GLY  37  -8.766  -8.765 -26.336
  239    HA2  GLY  37           1HA      GLY  37 -10.459  -9.830 -24.165
  240    HA3  GLY  37           2HA      GLY  37 -10.242 -10.598 -25.731
  241    H    GLY  38           H        GLY  38  -8.362 -11.784 -26.150
  242    HA2  GLY  38           1HA      GLY  38  -6.375 -12.879 -25.649
  243    HA3  GLY  38           2HA      GLY  38  -6.300 -11.990 -24.135
  244    H    GLY  39           H        GLY  39  -5.557 -14.522 -23.965
  245    HA2  GLY  39           1HA      GLY  39  -7.406 -15.635 -22.119
  246    HA3  GLY  39           2HA      GLY  39  -7.463 -16.514 -23.640
  247    H    SER  40           H        SER  40  -4.922 -16.672 -24.456
  248    HA   SER  40           HA       SER  40  -3.592 -18.101 -22.249
  249    HB2  SER  40           1HB      SER  40  -4.463 -19.314 -24.423
  250    HB3  SER  40           2HB      SER  40  -2.971 -18.684 -25.119
  251    HG   SER  40           HG       SER  40  -3.107 -20.868 -23.880
  252    H    TYR  41           H        TYR  41  -3.158 -15.405 -22.417
  253    HA   TYR  41           HA       TYR  41  -0.584 -15.089 -23.786
  254    HB2  TYR  41           1HB      TYR  41  -2.633 -13.414 -23.877
  255    HB3  TYR  41           2HB      TYR  41  -1.931 -12.828 -22.373
  256    HD1  TYR  41           HD1      TYR  41  -1.470 -13.131 -25.993
  257    HD2  TYR  41           HD2      TYR  41   0.227 -11.709 -22.359
  258    HE1  TYR  41           HE1      TYR  41   0.135 -11.781 -27.278
  259    HE2  TYR  41           HE2      TYR  41   1.836 -10.355 -23.634
  260    HH   TYR  41           HH       TYR  41   2.209  -9.444 -25.748
  261    H    HIS  42           H        HIS  42   1.155 -13.963 -22.635
  262    HA   HIS  42           HA       HIS  42   1.347 -14.939 -19.888
  263    HB2  HIS  42           1HB      HIS  42   3.122 -15.203 -21.844
  264    HB3  HIS  42           2HB      HIS  42   3.640 -13.621 -21.270
  265    HD1  HIS  42           HD1      HIS  42   5.651 -13.991 -19.884
  266    HD2  HIS  42           HD2      HIS  42   2.726 -16.851 -19.155
  267    HE1  HIS  42           HE1      HIS  42   6.553 -15.416 -18.019
  268    H    CYS  43           H        CYS  43  -0.327 -12.695 -20.350
  269    HA   CYS  43           HA       CYS  43   1.163 -10.355 -19.492
  270    HB2  CYS  43           1HB      CYS  43  -0.809 -10.358 -21.145
  271    HB3  CYS  43           2HB      CYS  43  -1.833 -10.551 -19.726
  272    H1   NAG 101           H1       NAG 100   5.243  19.821 -21.174
  273    H2   NAG 101           HC2      NAG 100   7.310  19.874 -18.906
  274    H3   NAG 101           HC3      NAG 100   6.078  22.148 -20.568
  275    H4   NAG 101           HC4      NAG 100   8.912  20.954 -20.664
  276    H5   NAG 101           H5       NAG 100   6.553  20.701 -22.614
  277    H61  NAG 101           1H6      NAG 100   8.779  20.965 -23.743
  278    H62  NAG 101           2H6      NAG 100   9.445  19.659 -22.751
  279    H81  NAG 101           3H8      NAG 100   4.058  21.041 -16.182
  280    H82  NAG 101           1H8      NAG 100   3.051  19.908 -17.144
  281    H83  NAG 101           2H8      NAG 100   4.016  19.296 -15.759
  282    HN2  NAG 101           H2       NAG 100   4.723  21.319 -18.764
  283    HO3  NAG 101           H3       NAG 100   7.777  23.355 -19.505
  284    HO4  NAG 101           H4       NAG 100   9.295  22.505 -22.155
  285    HO6  NAG 101           HO6      NAG 100   7.450  18.403 -23.657
  286    H1   NAG 102           H1       NAG 200  -0.417  -6.418 -19.672
  287    H2   NAG 102           HC2      NAG 200   1.986  -6.598 -17.770
  288    H3   NAG 102           HC3      NAG 200   0.922  -4.262 -19.461
  289    H4   NAG 102           HC4      NAG 200   3.430  -5.998 -19.862
  290    H5   NAG 102           H5       NAG 200   0.763  -5.930 -21.385
  291    H61  NAG 102           1H6      NAG 200   2.771  -6.202 -22.866
  292    H62  NAG 102           2H6      NAG 200   3.349  -7.532 -21.852
  293    H81  NAG 102           3H8      NAG 200  -1.204  -6.445 -14.399
  294    H82  NAG 102           1H8      NAG 200  -0.238  -4.933 -14.341
  295    H83  NAG 102           2H8      NAG 200  -1.624  -5.070 -15.475
  296    HN2  NAG 102           H2       NAG 200  -0.230  -4.663 -17.390
  297    HO3  NAG 102           H3       NAG 200   2.970  -3.336 -18.813
  298    HO4  NAG 102           H4       NAG 200   3.826  -4.675 -21.556
  299    HO6  NAG 102           HO6      NAG 200   1.033  -8.434 -22.295
  Start of MODEL    5
    1    H1   LYS   1           H        LYS   1   2.533  -1.043  -2.577
    2    HA   LYS   1           HA       LYS   1   2.349  -1.931  -5.380
    3    HB2  LYS   1           1HB      LYS   1   2.129   0.754  -4.085
    4    HB3  LYS   1           2HB      LYS   1   2.753   0.655  -5.727
    5    HG2  LYS   1           1HG      LYS   1   0.629  -0.755  -6.185
    6    HG3  LYS   1           2HG      LYS   1   0.032  -0.017  -4.696
    7    HD2  LYS   1           1HD      LYS   1   0.883   2.193  -5.873
    8    HD3  LYS   1           2HD      LYS   1   0.639   1.228  -7.331
    9    HE2  LYS   1           1HE      LYS   1  -1.676   0.705  -6.347
   10    HE3  LYS   1           2HE      LYS   1  -1.371   2.064  -5.265
   11    HZ1  LYS   1           3HZ      LYS   1  -1.517   2.123  -8.227
   12    HZ2  LYS   1           1HZ      LYS   1  -0.966   3.423  -7.296
   13    HZ3  LYS   1           2HZ      LYS   1  -2.558   2.880  -7.130
   14    HA   PRO   2           HA       PRO   2   6.714  -1.900  -5.830
   15    HB2  PRO   2           1HB      PRO   2   7.035  -0.856  -8.316
   16    HB3  PRO   2           2HB      PRO   2   6.395  -2.479  -8.031
   17    HG2  PRO   2           1HG      PRO   2   4.924   0.060  -8.623
   18    HG3  PRO   2           2HG      PRO   2   4.652  -1.568  -9.271
   19    HD2  PRO   2           1HD      PRO   2   3.140  -0.518  -7.285
   20    HD3  PRO   2           2HD      PRO   2   3.492  -2.254  -7.401
   21    H    ALA   3           H        ALA   3   8.474  -0.286  -6.993
   22    HA   ALA   3           HA       ALA   3   8.346   2.115  -5.355
   23    HB1  ALA   3           1HB      ALA   3  10.694   1.610  -7.081
   24    HB2  ALA   3           2HB      ALA   3  10.611   2.138  -5.400
   25    HB3  ALA   3           3HB      ALA   3  10.378   0.437  -5.803
   26    H    TRP   4           H        TRP   4   7.014   1.487  -8.147
   27    HA   TRP   4           HA       TRP   4   7.939   3.900  -9.540
   28    HB2  TRP   4           1HB      TRP   4   5.947   2.160 -10.856
   29    HB3  TRP   4           2HB      TRP   4   7.405   2.903 -11.508
   30    HD1  TRP   4           HD1      TRP   4   9.673   1.588  -9.906
   31    HE1  TRP   4           HE1      TRP   4  10.140  -0.939 -10.048
   32    HE3  TRP   4           HE3      TRP   4   5.098   0.009 -11.553
   33    HZ2  TRP   4           HZ2      TRP   4   8.753  -3.291 -10.764
   34    HZ3  TRP   4           HZ3      TRP   4   4.750  -2.396 -11.942
   35    HH2  TRP   4           HH2      TRP   4   6.541  -4.010 -11.556
   36    H    CYS   5           H        CYS   5   4.903   2.239  -8.681
   37    HA   CYS   5           HA       CYS   5   3.376   4.657  -9.129
   38    HB2  CYS   5           1HB      CYS   5   2.345   2.110  -7.892
   39    HB3  CYS   5           2HB      CYS   5   1.443   3.335  -8.778
   40    H    TRP   6           H        TRP   6   1.479   4.611  -7.175
   41    HA   TRP   6           HA       TRP   6   2.732   4.615  -4.571
   42    HB2  TRP   6           1HB      TRP   6   3.024   6.919  -5.982
   43    HB3  TRP   6           2HB      TRP   6   1.492   7.227  -5.168
   44    HD1  TRP   6           HD1      TRP   6   5.159   7.361  -4.615
   45    HE1  TRP   6           HE1      TRP   6   5.672   7.881  -2.147
   46    HE3  TRP   6           HE3      TRP   6   0.499   6.628  -2.644
   47    HZ2  TRP   6           HZ2      TRP   6   4.285   7.969   0.310
   48    HZ3  TRP   6           HZ3      TRP   6   0.177   6.951  -0.226
   49    HH2  TRP   6           HH2      TRP   6   2.032   7.607   1.219
   50    H    TYR   7           H        TYR   7  -0.074   5.495  -6.536
   51    HA   TYR   7           HA       TYR   7  -1.880   3.979  -5.018
   52    HB2  TYR   7           1HB      TYR   7  -1.245   6.262  -3.656
   53    HB3  TYR   7           2HB      TYR   7  -2.666   6.778  -4.558
   54    HD1  TYR   7           HD2      TYR   7  -1.665   3.661  -2.739
   55    HD2  TYR   7           HD1      TYR   7  -4.593   6.695  -3.307
   56    HE1  TYR   7           HE2      TYR   7  -3.110   2.570  -1.075
   57    HE2  TYR   7           HE1      TYR   7  -6.046   5.613  -1.643
   58    HH   TYR   7           HH       TYR   7  -4.990   3.299   0.491
   59    H    THR   8           H        THR   8  -4.244   5.332  -5.383
   60    HA   THR   8           HA       THR   8  -4.377   5.459  -8.313
   61    HB   THR   8           HB       THR   8  -6.771   5.257  -6.505
   62    HG1  THR   8           HG1      THR   8  -5.645   3.482  -5.880
   63   HG21  THR   8          3HG2      THR   8  -6.380   5.390  -9.293
   64   HG22  THR   8          1HG2      THR   8  -7.886   5.088  -8.427
   65   HG23  THR   8          2HG2      THR   8  -6.873   3.736  -8.933
   66    H    LEU   9           H        LEU   9  -3.535   7.689  -6.551
   67    HA   LEU   9           HA       LEU   9  -5.614   9.596  -6.355
   68    HB2  LEU   9           1HB      LEU   9  -2.675   9.584  -6.102
   69    HB3  LEU   9           2HB      LEU   9  -3.405  11.136  -6.508
   70    HG   LEU   9           HG       LEU   9  -4.736   9.816  -4.278
   71   HD11  LEU   9          1HD1      LEU   9  -2.296   9.071  -4.071
   72   HD12  LEU   9          2HD1      LEU   9  -3.035   9.864  -2.681
   73   HD13  LEU   9          3HD1      LEU   9  -1.944  10.766  -3.733
   74   HD21  LEU   9          3HD2      LEU   9  -3.474  12.506  -4.766
   75   HD22  LEU   9          1HD2      LEU   9  -4.282  12.065  -3.262
   76   HD23  LEU   9          2HD2      LEU   9  -5.190  12.097  -4.773
   77    H    ALA  10           H        ALA  10  -3.513   8.625  -8.944
   78    HA   ALA  10           HA       ALA  10  -3.455   9.167 -11.155
   79    HB1  ALA  10           1HB      ALA  10  -5.927  10.821 -10.878
   80    HB2  ALA  10           2HB      ALA  10  -5.419   9.772 -12.203
   81    HB3  ALA  10           3HB      ALA  10  -6.015   9.069 -10.699
   82    H    MET  11           H        MET  11  -1.652  10.543 -10.041
   83    HA   MET  11           HA       MET  11  -1.960  13.340  -9.851
   84    HB2  MET  11           1HB      MET  11   0.512  11.667 -10.322
   85    HB3  MET  11           2HB      MET  11   0.533  13.387  -9.953
   86    HG2  MET  11           1HG      MET  11  -0.274  13.043  -7.780
   87    HG3  MET  11           2HG      MET  11  -0.779  11.394  -8.140
   88    HE1  MET  11           3HE      MET  11   2.224   9.360  -8.449
   89    HE2  MET  11           1HE      MET  11   1.219   9.289  -7.001
   90    HE3  MET  11           2HE      MET  11   0.479   9.586  -8.574
   91    H    CYS  12           H        CYS  12   0.031  11.652 -12.275
   92    HA   CYS  12           HA       CYS  12   0.226  13.735 -14.076
   93    HB2  CYS  12           1HB      CYS  12   0.950  12.136 -15.690
   94    HB3  CYS  12           2HB      CYS  12   1.488  11.546 -14.121
   95    H    GLY  13           H        GLY  13  -0.796  14.102 -16.141
   96    HA2  GLY  13           1HA      GLY  13  -2.580  13.926 -17.671
   97    HA3  GLY  13           2HA      GLY  13  -3.453  12.942 -16.506
   98    H    ALA  14           H        ALA  14  -2.758  15.007 -14.394
   99    HA   ALA  14           HA       ALA  14  -4.890  16.905 -15.117
  100    HB1  ALA  14           1HB      ALA  14  -5.507  15.531 -13.242
  101    HB2  ALA  14           2HB      ALA  14  -4.005  15.928 -12.406
  102    HB3  ALA  14           3HB      ALA  14  -5.220  17.177 -12.677
  103    H    GLY  15           H        GLY  15  -2.024  17.162 -15.772
  104    HA2  GLY  15           1HA      GLY  15  -0.945  19.283 -16.039
  105    HA3  GLY  15           2HA      GLY  15  -1.607  19.775 -14.487
  106    H    TYR  16           H        TYR  16  -0.774  16.953 -13.538
  107    HA   TYR  16           HA       TYR  16   1.573  17.720 -12.223
  108    HB2  TYR  16           1HB      TYR  16   0.006  15.243 -12.518
  109    HB3  TYR  16           2HB      TYR  16   1.708  14.997 -12.146
  110    HD1  TYR  16           HD1      TYR  16   2.649  15.818 -10.032
  111    HD2  TYR  16           HD2      TYR  16  -1.498  16.204 -10.902
  112    HE1  TYR  16           HE1      TYR  16   2.200  16.276  -7.658
  113    HE2  TYR  16           HE2      TYR  16  -1.959  16.664  -8.530
  114    HH   TYR  16           HH       TYR  16  -0.594  15.992  -6.228
  115    H    ASP  17           H        ASP  17   1.057  16.140 -15.293
  116    HA   ASP  17           HA       ASP  17   3.971  16.144 -15.726
  117    HB2  ASP  17           1HB      ASP  17   1.959  14.113 -16.715
  118    HB3  ASP  17           2HB      ASP  17   3.647  14.174 -17.215
  119    H    SER  18           H        SER  18   4.183  15.676 -18.334
  120    HA   SER  18           HA       SER  18   3.110  18.099 -19.498
  121    HB2  SER  18           1HB      SER  18   5.096  16.035 -20.440
  122    HB3  SER  18           2HB      SER  18   4.515  17.318 -21.500
  123    H    GLY  19           H        GLY  19   0.890  17.217 -19.293
  124    HA2  GLY  19           1HA      GLY  19  -0.152  15.108 -18.879
  125    HA3  GLY  19           2HA      GLY  19  -0.612  15.531 -20.522
  126    H    THR  20           H        THR  20   1.782  13.749 -18.621
  127    HA   THR  20           HA       THR  20   1.777  11.641 -20.615
  128    HB   THR  20           HB       THR  20   3.581  13.254 -21.326
  129    HG1  THR  20           HG1      THR  20   3.579  10.892 -21.706
  130   HG21  THR  20          3HG2      THR  20   5.654  13.294 -20.050
  131   HG22  THR  20          1HG2      THR  20   4.933  12.268 -18.811
  132   HG23  THR  20          2HG2      THR  20   4.322  13.902 -19.067
  133    H    CYS  21           H        CYS  21   2.152   9.661 -19.749
  134    HA   CYS  21           HA       CYS  21   3.145   9.535 -16.983
  135    HB2  CYS  21           1HB      CYS  21   0.877   7.822 -17.999
  136    HB3  CYS  21           2HB      CYS  21   1.435   8.004 -16.339
  137    H    ASP  22           H        ASP  22   3.169   6.897 -16.528
  138    HA   ASP  22           HA       ASP  22   4.305   5.471 -18.775
  139    HB2  ASP  22           1HB      ASP  22   5.978   6.815 -16.816
  140    HB3  ASP  22           2HB      ASP  22   6.278   5.079 -16.845
  141    H    TYR  23           H        TYR  23   4.785   5.120 -15.273
  142    HA   TYR  23           HA       TYR  23   4.167   2.369 -15.277
  143    HB2  TYR  23           1HB      TYR  23   3.997   4.171 -12.865
  144    HB3  TYR  23           2HB      TYR  23   4.397   2.458 -12.913
  145    HD1  TYR  23           HD2      TYR  23   6.515   1.997 -14.580
  146    HD2  TYR  23           HD1      TYR  23   5.756   5.579 -12.413
  147    HE1  TYR  23           HE2      TYR  23   8.908   2.555 -14.677
  148    HE2  TYR  23           HE1      TYR  23   8.147   6.148 -12.505
  149    HH   TYR  23           HH       TYR  23  10.467   4.067 -14.208
  150    H    MET  24           H        MET  24   2.204   5.207 -15.027
  151    HA   MET  24           HA       MET  24  -0.046   4.115 -13.738
  152    HB2  MET  24           1HB      MET  24   0.289   6.413 -15.657
  153    HB3  MET  24           2HB      MET  24  -1.276   5.987 -14.977
  154    HG2  MET  24           1HG      MET  24  -0.617   7.580 -13.496
  155    HG3  MET  24           2HG      MET  24   0.027   6.142 -12.707
  156    HE1  MET  24           3HE      MET  24   3.691   6.548 -12.606
  157    HE2  MET  24           1HE      MET  24   2.353   6.679 -11.464
  158    HE3  MET  24           2HE      MET  24   2.355   5.398 -12.676
  159    H    TYR  25           H        TYR  25   0.830   4.333 -17.164
  160    HA   TYR  25           HA       TYR  25  -1.572   3.216 -18.158
  161    HB2  TYR  25           1HB      TYR  25   1.180   3.605 -19.296
  162    HB3  TYR  25           2HB      TYR  25  -0.037   2.704 -20.193
  163    HD1  TYR  25           HD1      TYR  25  -0.023   5.874 -18.200
  164    HD2  TYR  25           HD2      TYR  25  -1.005   3.950 -21.865
  165    HE1  TYR  25           HE1      TYR  25  -0.948   7.987 -19.054
  166    HE2  TYR  25           HE2      TYR  25  -1.932   6.057 -22.730
  167    HH   TYR  25           HH       TYR  25  -1.781   9.047 -20.831
  168    H    SER  26           H        SER  26   0.942   1.839 -16.417
  169    HA   SER  26           HA       SER  26   0.772  -0.793 -17.622
  170    HB2  SER  26           1HB      SER  26   2.876   0.264 -16.568
  171    HB3  SER  26           2HB      SER  26   2.144  -0.152 -15.018
  172    HG   SER  26           HG       SER  26   3.103  -1.833 -17.049
  173    H    HIS  27           H        HIS  27  -1.647   0.371 -16.498
  174    HA   HIS  27           HA       HIS  27  -3.429  -0.193 -15.199
  175    HB2  HIS  27           1HB      HIS  27  -2.861  -2.388 -16.437
  176    HB3  HIS  27           2HB      HIS  27  -2.209  -2.926 -14.892
  177    HD1  HIS  27           HD1      HIS  27  -3.995  -4.724 -14.548
  178    HD2  HIS  27           HD2      HIS  27  -5.552  -0.899 -15.009
  179    HE1  HIS  27           HE1      HIS  27  -6.418  -4.901 -13.900
  180    H    CYS  28           H        CYS  28  -1.741   1.214 -13.745
  181    HA   CYS  28           HA       CYS  28  -1.498  -0.242 -11.193
  182    HB2  CYS  28           1HB      CYS  28   0.565   0.865 -12.521
  183    HB3  CYS  28           2HB      CYS  28   0.040   2.264 -11.590
  184    H    PHE  29           H        PHE  29  -2.917   2.391 -12.852
  185    HA   PHE  29           HA       PHE  29  -3.919   3.484 -10.305
  186    HB2  PHE  29           1HB      PHE  29  -3.207   4.834 -12.891
  187    HB3  PHE  29           2HB      PHE  29  -4.371   5.569 -11.794
  188    HD1  PHE  29           HD2      PHE  29  -1.090   3.834 -11.380
  189    HD2  PHE  29           HD1      PHE  29  -3.462   7.274 -10.572
  190    HE1  PHE  29           HE2      PHE  29   0.759   4.797 -10.073
  191    HE2  PHE  29           HE1      PHE  29  -1.617   8.243  -9.264
  192    HZ   PHE  29           HZ       PHE  29   0.497   7.005  -9.014
  193    H    GLY  30           H        GLY  30  -4.703   2.255 -13.456
  194    HA2  GLY  30           1HA      GLY  30  -6.745   1.296 -14.074
  195    HA3  GLY  30           2HA      GLY  30  -7.493   2.037 -12.667
  196    H    VAL  31           H        VAL  31  -5.550   3.848 -14.940
  197    HA   VAL  31           HA       VAL  31  -7.934   5.401 -15.648
  198    HB   VAL  31           HB       VAL  31  -6.317   7.100 -16.482
  199   HG11  VAL  31          1HG1      VAL  31  -5.460   6.571 -13.695
  200   HG12  VAL  31          2HG1      VAL  31  -6.098   8.045 -14.427
  201   HG13  VAL  31          3HG1      VAL  31  -7.191   6.730 -13.993
  202   HG21  VAL  31          3HG2      VAL  31  -4.460   5.590 -16.985
  203   HG22  VAL  31          1HG2      VAL  31  -3.956   6.884 -15.898
  204   HG23  VAL  31          2HG2      VAL  31  -4.253   5.266 -15.264
  205    H    LYS  32           H        LYS  32  -5.357   3.476 -17.024
  206    HA   LYS  32           HA       LYS  32  -5.521   4.123 -19.700
  207    HB2  LYS  32           1HB      LYS  32  -3.826   2.612 -18.975
  208    HB3  LYS  32           2HB      LYS  32  -5.013   1.474 -18.351
  209    HG2  LYS  32           1HG      LYS  32  -5.507   0.636 -20.420
  210    HG3  LYS  32           2HG      LYS  32  -5.058   2.126 -21.252
  211    HD2  LYS  32           1HD      LYS  32  -2.953   0.562 -19.828
  212    HD3  LYS  32           2HD      LYS  32  -3.531  -0.003 -21.397
  213    HE2  LYS  32           1HE      LYS  32  -3.139   2.578 -21.983
  214    HE3  LYS  32           2HE      LYS  32  -1.943   2.397 -20.701
  215    HZ1  LYS  32           3HZ      LYS  32  -1.228   1.925 -23.091
  216    HZ2  LYS  32           1HZ      LYS  32  -2.080   0.472 -22.934
  217    HZ3  LYS  32           2HZ      LYS  32  -0.782   0.806 -21.903
  218    H    HIS  33           H        HIS  33  -6.768   3.468 -21.431
  219    HA   HIS  33           HA       HIS  33  -9.495   2.852 -20.855
  220    HB2  HIS  33           1HB      HIS  33  -8.008   3.031 -23.483
  221    HB3  HIS  33           2HB      HIS  33  -9.753   2.846 -23.337
  222    HD1  HIS  33           HD1      HIS  33  -9.667   4.949 -20.784
  223    HD2  HIS  33           HD2      HIS  33  -8.465   5.551 -24.715
  224    HE1  HIS  33           HE1      HIS  33  -9.756   7.436 -21.141
  225    H    SER  34           H        SER  34 -10.435   1.146 -22.657
  226    HA   SER  34           HA       SER  34  -9.649  -1.396 -21.617
  227    HB2  SER  34           1HB      SER  34 -11.966  -1.108 -22.105
  228    HB3  SER  34           2HB      SER  34 -11.623  -0.568 -23.749
  229    HG   SER  34           HG       SER  34 -12.085  -2.626 -24.094
  230    H    SER  35           H        SER  35  -7.719  -2.176 -22.220
  231    HA   SER  35           HA       SER  35  -6.668  -1.793 -24.870
  232    HB2  SER  35           1HB      SER  35  -5.217  -1.875 -22.846
  233    HB3  SER  35           2HB      SER  35  -5.633  -3.578 -22.654
  234    HG   SER  35           HG       SER  35  -3.856  -3.726 -23.836
  235    H    GLY  36           H        GLY  36  -8.568  -2.816 -25.922
  236    HA2  GLY  36           1HA      GLY  36  -9.294  -5.481 -25.689
  237    HA3  GLY  36           2HA      GLY  36  -9.415  -4.545 -27.172
  238    H    GLY  37           H        GLY  37  -8.322  -7.353 -26.085
  239    HA2  GLY  37           1HA      GLY  37  -7.077  -8.856 -27.427
  240    HA3  GLY  37           2HA      GLY  37  -6.260  -7.485 -28.161
  241    H    GLY  38           H        GLY  38  -5.844 -10.043 -26.137
  242    HA2  GLY  38           1HA      GLY  38  -3.727 -10.564 -25.195
  243    HA3  GLY  38           2HA      GLY  38  -3.402  -8.844 -25.040
  244    H    GLY  39           H        GLY  39  -4.358 -11.639 -23.428
  245    HA2  GLY  39           1HA      GLY  39  -5.455 -10.067 -21.182
  246    HA3  GLY  39           2HA      GLY  39  -5.806 -11.764 -21.475
  247    H    SER  40           H        SER  40  -5.174 -11.887 -19.160
  248    HA   SER  40           HA       SER  40  -2.272 -12.325 -18.958
  249    HB2  SER  40           1HB      SER  40  -2.302 -11.483 -16.652
  250    HB3  SER  40           2HB      SER  40  -2.841 -10.237 -17.777
  251    HG   SER  40           HG       SER  40  -4.502 -10.131 -16.493
  252    H    TYR  41           H        TYR  41  -1.974 -13.487 -16.616
  253    HA   TYR  41           HA       TYR  41  -3.377 -16.000 -16.940
  254    HB2  TYR  41           1HB      TYR  41  -0.835 -15.551 -16.358
  255    HB3  TYR  41           2HB      TYR  41  -1.449 -15.521 -14.709
  256    HD1  TYR  41           HD2      TYR  41  -2.337 -17.534 -13.674
  257    HD2  TYR  41           HD1      TYR  41  -0.842 -17.603 -17.657
  258    HE1  TYR  41           HE2      TYR  41  -2.277 -19.992 -13.603
  259    HE2  TYR  41           HE1      TYR  41  -0.780 -20.062 -17.597
  260    HH   TYR  41           HH       TYR  41  -0.580 -21.849 -15.593
  261    H    HIS  42           H        HIS  42  -4.301 -17.137 -15.078
  262    HA   HIS  42           HA       HIS  42  -5.897 -15.300 -13.461
  263    HB2  HIS  42           1HB      HIS  42  -6.738 -17.388 -14.866
  264    HB3  HIS  42           2HB      HIS  42  -6.315 -18.254 -13.392
  265    HD1  HIS  42           HD1      HIS  42  -8.986 -16.331 -14.911
  266    HD2  HIS  42           HD2      HIS  42  -7.742 -17.199 -11.043
  267    HE1  HIS  42           HE1      HIS  42 -10.955 -15.805 -13.438
  268    H    CYS  43           H        CYS  43  -3.161 -15.590 -12.769
  269    HA   CYS  43           HA       CYS  43  -3.030 -17.368 -10.487
  270    HB2  CYS  43           1HB      CYS  43  -1.113 -16.674 -12.145
  271    HB3  CYS  43           2HB      CYS  43  -0.958 -15.286 -11.073
  272    H1   NAG 101           H1       NAG 100   5.563  19.538 -20.892
  273    H2   NAG 101           HC2      NAG 100   7.381  19.734 -18.426
  274    H3   NAG 101           HC3      NAG 100   6.337  21.901 -20.342
  275    H4   NAG 101           HC4      NAG 100   9.162  20.713 -20.068
  276    H5   NAG 101           H5       NAG 100   7.020  20.335 -22.236
  277    H61  NAG 101           1H6      NAG 100   9.353  20.538 -23.139
  278    H62  NAG 101           2H6      NAG 100   9.908  19.297 -22.006
  279    H81  NAG 101           3H8      NAG 100   3.902  21.024 -16.063
  280    H82  NAG 101           1H8      NAG 100   2.967  19.942 -17.149
  281    H83  NAG 101           2H8      NAG 100   3.730  19.281 -15.664
  282    HN2  NAG 101           H2       NAG 100   4.798  21.177 -18.644
  283    HO3  NAG 101           H3       NAG 100   7.919  23.176 -19.181
  284    HO4  NAG 101           H4       NAG 100   9.704  22.173 -21.601
  285    HO6  NAG 101           HO6      NAG 100   8.016  17.981 -23.039
  286    H1   NAG 102           H1       NAG 200  -0.697 -16.265  -8.339
  287    H2   NAG 102           HC2      NAG 200   1.403 -17.439  -6.433
  288    H3   NAG 102           HC3      NAG 200  -0.432 -14.989  -6.152
  289    H4   NAG 102           HC4      NAG 200   2.600 -15.127  -6.653
  290    H5   NAG 102           H5       NAG 200   0.282 -14.375  -8.522
  291    H61  NAG 102           1H6      NAG 200   2.316 -12.929  -8.795
  292    H62  NAG 102           2H6      NAG 200   3.332 -14.371  -8.936
  293    H81  NAG 102           3H8      NAG 200  -2.614 -19.641  -5.854
  294    H82  NAG 102           1H8      NAG 200  -1.447 -20.748  -5.056
  295    H83  NAG 102           2H8      NAG 200  -1.958 -19.236  -4.232
  296    HN2  NAG 102           H2       NAG 200  -1.449 -17.116  -5.687
  297    HO3  NAG 102           H3       NAG 200   0.967 -14.605  -4.317
  298    HO4  NAG 102           H4       NAG 200   2.514 -12.947  -6.531
  299    HO6  NAG 102           HO6      NAG 200   1.666 -14.960 -10.740
  Start of MODEL    6
    1    H1   LYS   1           H        LYS   1   1.990  -0.956  -2.895
    2    HA   LYS   1           HA       LYS   1   2.416  -1.894  -5.578
    3    HB2  LYS   1           1HB      LYS   1   2.017   0.761  -4.276
    4    HB3  LYS   1           2HB      LYS   1   2.739   0.720  -5.879
    5    HG2  LYS   1           1HG      LYS   1   0.826  -0.117  -6.865
    6    HG3  LYS   1           2HG      LYS   1   0.203  -0.766  -5.345
    7    HD2  LYS   1           1HD      LYS   1  -0.294   1.454  -4.548
    8    HD3  LYS   1           2HD      LYS   1   0.471   2.175  -5.966
    9    HE2  LYS   1           1HE      LYS   1  -1.735   2.268  -6.583
   10    HE3  LYS   1           2HE      LYS   1  -1.276   0.708  -7.262
   11    HZ1  LYS   1           3HZ      LYS   1  -3.306   0.392  -6.133
   12    HZ2  LYS   1           1HZ      LYS   1  -2.774   1.221  -4.758
   13    HZ3  LYS   1           2HZ      LYS   1  -2.119  -0.291  -5.139
   14    HA   PRO   2           HA       PRO   2   6.788  -1.678  -5.885
   15    HB2  PRO   2           1HB      PRO   2   7.148  -0.596  -8.349
   16    HB3  PRO   2           2HB      PRO   2   6.566  -2.246  -8.100
   17    HG2  PRO   2           1HG      PRO   2   5.013   0.237  -8.718
   18    HG3  PRO   2           2HG      PRO   2   4.829  -1.393  -9.390
   19    HD2  PRO   2           1HD      PRO   2   3.210  -0.427  -7.446
   20    HD3  PRO   2           2HD      PRO   2   3.637  -2.146  -7.566
   21    H    ALA   3           H        ALA   3   8.512   0.024  -6.989
   22    HA   ALA   3           HA       ALA   3   8.241   2.394  -5.324
   23    HB1  ALA   3           1HB      ALA   3  10.343   0.851  -5.628
   24    HB2  ALA   3           2HB      ALA   3  10.639   1.896  -7.018
   25    HB3  ALA   3           3HB      ALA   3  10.523   2.591  -5.402
   26    H    TRP   4           H        TRP   4   7.000   1.753  -8.152
   27    HA   TRP   4           HA       TRP   4   7.847   4.233  -9.480
   28    HB2  TRP   4           1HB      TRP   4   6.005   2.420 -10.903
   29    HB3  TRP   4           2HB      TRP   4   7.454   3.240 -11.479
   30    HD1  TRP   4           HD1      TRP   4   9.717   2.002  -9.825
   31    HE1  TRP   4           HE1      TRP   4  10.301  -0.500  -9.979
   32    HE3  TRP   4           HE3      TRP   4   5.274   0.241 -11.640
   33    HZ2  TRP   4           HZ2      TRP   4   9.045  -2.902 -10.766
   34    HZ3  TRP   4           HZ3      TRP   4   5.048  -2.172 -12.067
   35    HH2  TRP   4           HH2      TRP   4   6.895  -3.709 -11.639
   36    H    CYS   5           H        CYS   5   4.957   2.434  -8.483
   37    HA   CYS   5           HA       CYS   5   3.259   4.723  -9.069
   38    HB2  CYS   5           1HB      CYS   5   2.395   2.143  -7.770
   39    HB3  CYS   5           2HB      CYS   5   1.412   3.288  -8.678
   40    H    TRP   6           H        TRP   6   1.364   4.618  -7.121
   41    HA   TRP   6           HA       TRP   6   2.577   4.736  -4.508
   42    HB2  TRP   6           1HB      TRP   6   2.846   7.015  -5.955
   43    HB3  TRP   6           2HB      TRP   6   1.284   7.304  -5.193
   44    HD1  TRP   6           HD1      TRP   6   4.959   7.400  -4.508
   45    HE1  TRP   6           HE1      TRP   6   5.376   8.045  -2.052
   46    HE3  TRP   6           HE3      TRP   6   0.190   6.935  -2.727
   47    HZ2  TRP   6           HZ2      TRP   6   3.880   8.320   0.327
   48    HZ3  TRP   6           HZ3      TRP   6  -0.232   7.406  -0.349
   49    HH2  TRP   6           HH2      TRP   6   1.576   8.084   1.144
   50    H    TYR   7           H        TYR   7  -0.217   5.505  -6.536
   51    HA   TYR   7           HA       TYR   7  -2.013   3.969  -5.036
   52    HB2  TYR   7           1HB      TYR   7  -1.443   6.271  -3.672
   53    HB3  TYR   7           2HB      TYR   7  -2.869   6.748  -4.587
   54    HD1  TYR   7           HD2      TYR   7  -1.782   3.693  -2.713
   55    HD2  TYR   7           HD1      TYR   7  -4.824   6.589  -3.391
   56    HE1  TYR   7           HE2      TYR   7  -3.213   2.568  -1.059
   57    HE2  TYR   7           HE1      TYR   7  -6.264   5.473  -1.738
   58    HH   TYR   7           HH       TYR   7  -6.517   3.684  -0.426
   59    H    THR   8           H        THR   8  -4.401   5.254  -5.437
   60    HA   THR   8           HA       THR   8  -4.521   5.314  -8.361
   61    HB   THR   8           HB       THR   8  -6.923   5.280  -6.554
   62    HG1  THR   8           HG1      THR   8  -6.297   3.378  -5.886
   63   HG21  THR   8          3HG2      THR   8  -7.972   5.195  -8.518
   64   HG22  THR   8          1HG2      THR   8  -7.216   3.630  -8.813
   65   HG23  THR   8          2HG2      THR   8  -6.435   5.107  -9.379
   66    H    LEU   9           H        LEU   9  -3.650   7.591  -6.614
   67    HA   LEU   9           HA       LEU   9  -5.687   9.563  -6.616
   68    HB2  LEU   9           1HB      LEU   9  -2.777   9.475  -6.139
   69    HB3  LEU   9           2HB      LEU   9  -3.431  11.034  -6.635
   70    HG   LEU   9           HG       LEU   9  -3.211  10.742  -4.172
   71   HD11  LEU   9          1HD1      LEU   9  -6.119  10.990  -4.755
   72   HD12  LEU   9          2HD1      LEU   9  -5.002  12.142  -5.486
   73   HD13  LEU   9          3HD1      LEU   9  -5.082  11.983  -3.731
   74   HD21  LEU   9          3HD2      LEU   9  -4.180   9.072  -3.025
   75   HD22  LEU   9          1HD2      LEU   9  -4.193   8.245  -4.583
   76   HD23  LEU   9          2HD2      LEU   9  -5.635   9.092  -4.022
   77    H    ALA  10           H        ALA  10  -3.414   8.457  -9.000
   78    HA   ALA  10           HA       ALA  10  -3.170   8.925 -11.215
   79    HB1  ALA  10           1HB      ALA  10  -5.026   9.546 -12.430
   80    HB2  ALA  10           2HB      ALA  10  -5.764   8.927 -10.952
   81    HB3  ALA  10           3HB      ALA  10  -5.595  10.666 -11.192
   82    H    MET  11           H        MET  11  -1.413  10.277 -10.005
   83    HA   MET  11           HA       MET  11  -1.529  13.025  -9.742
   84    HB2  MET  11           1HB      MET  11   0.847  11.408 -10.681
   85    HB3  MET  11           2HB      MET  11   0.905  13.017  -9.972
   86    HG2  MET  11           1HG      MET  11  -0.265  10.691  -8.491
   87    HG3  MET  11           2HG      MET  11   1.466  11.020  -8.485
   88    HE1  MET  11           3HE      MET  11  -0.578  11.637  -5.296
   89    HE2  MET  11           1HE      MET  11  -1.852  12.483  -6.174
   90    HE3  MET  11           2HE      MET  11  -1.274  10.919  -6.749
   91    H    CYS  12           H        CYS  12   0.107  11.454 -12.490
   92    HA   CYS  12           HA       CYS  12   0.209  13.674 -14.135
   93    HB2  CYS  12           1HB      CYS  12   0.687  12.180 -15.940
   94    HB3  CYS  12           2HB      CYS  12   1.384  11.473 -14.486
   95    H    GLY  13           H        GLY  13  -0.989  14.157 -16.112
   96    HA2  GLY  13           1HA      GLY  13  -2.948  14.046 -17.451
   97    HA3  GLY  13           2HA      GLY  13  -3.760  13.196 -16.144
   98    H    ALA  14           H        ALA  14  -2.936  15.052 -14.082
   99    HA   ALA  14           HA       ALA  14  -4.851  17.184 -14.682
  100    HB1  ALA  14           1HB      ALA  14  -5.341  15.927 -12.694
  101    HB2  ALA  14           2HB      ALA  14  -3.719  16.214 -12.063
  102    HB3  ALA  14           3HB      ALA  14  -4.850  17.556 -12.230
  103    H    GLY  15           H        GLY  15  -1.985  17.101 -15.585
  104    HA2  GLY  15           1HA      GLY  15  -0.751  19.084 -16.104
  105    HA3  GLY  15           2HA      GLY  15  -1.281  19.772 -14.577
  106    H    TYR  16           H        TYR  16  -0.628  17.005 -13.381
  107    HA   TYR  16           HA       TYR  16   1.777  17.647 -12.184
  108    HB2  TYR  16           1HB      TYR  16   0.169  15.181 -12.479
  109    HB3  TYR  16           2HB      TYR  16   1.859  14.947 -12.045
  110    HD1  TYR  16           HD2      TYR  16  -1.166  16.880 -11.035
  111    HD2  TYR  16           HD1      TYR  16   2.502  15.101  -9.817
  112    HE1  TYR  16           HE2      TYR  16  -1.706  17.386  -8.690
  113    HE2  TYR  16           HE1      TYR  16   1.971  15.601  -7.468
  114    HH   TYR  16           HH       TYR  16   0.292  17.580  -6.342
  115    H    ASP  17           H        ASP  17   1.177  16.129 -15.259
  116    HA   ASP  17           HA       ASP  17   4.085  15.997 -15.710
  117    HB2  ASP  17           1HB      ASP  17   1.971  14.088 -16.730
  118    HB3  ASP  17           2HB      ASP  17   3.660  14.072 -17.230
  119    H    SER  18           H        SER  18   4.259  15.567 -18.328
  120    HA   SER  18           HA       SER  18   3.304  18.062 -19.440
  121    HB2  SER  18           1HB      SER  18   5.309  16.002 -20.217
  122    HB3  SER  18           2HB      SER  18   4.612  16.983 -21.505
  123    H    GLY  19           H        GLY  19   1.042  17.297 -19.238
  124    HA2  GLY  19           1HA      GLY  19  -0.107  15.238 -18.855
  125    HA3  GLY  19           2HA      GLY  19  -0.554  15.716 -20.486
  126    H    THR  20           H        THR  20   1.758  13.777 -18.638
  127    HA   THR  20           HA       THR  20   1.628  11.711 -20.672
  128    HB   THR  20           HB       THR  20   3.513  13.239 -21.359
  129    HG1  THR  20           HG1      THR  20   4.718  11.503 -21.962
  130   HG21  THR  20          3HG2      THR  20   5.592  13.135 -20.092
  131   HG22  THR  20          1HG2      THR  20   4.817  12.131 -18.869
  132   HG23  THR  20          2HG2      THR  20   4.300  13.802 -19.095
  133    H    CYS  21           H        CYS  21   1.904   9.695 -19.850
  134    HA   CYS  21           HA       CYS  21   2.811   9.486 -17.055
  135    HB2  CYS  21           1HB      CYS  21   0.633   7.778 -18.258
  136    HB3  CYS  21           2HB      CYS  21   1.094   7.906 -16.563
  137    H    ASP  22           H        ASP  22   2.937   6.885 -16.634
  138    HA   ASP  22           HA       ASP  22   4.129   5.475 -18.854
  139    HB2  ASP  22           1HB      ASP  22   5.770   6.930 -16.955
  140    HB3  ASP  22           2HB      ASP  22   6.132   5.207 -16.926
  141    H    TYR  23           H        TYR  23   4.640   5.223 -15.347
  142    HA   TYR  23           HA       TYR  23   4.152   2.448 -15.284
  143    HB2  TYR  23           1HB      TYR  23   3.893   4.298 -12.916
  144    HB3  TYR  23           2HB      TYR  23   4.373   2.604 -12.922
  145    HD1  TYR  23           HD2      TYR  23   6.481   2.287 -14.727
  146    HD2  TYR  23           HD1      TYR  23   5.617   5.706 -12.346
  147    HE1  TYR  23           HE2      TYR  23   8.846   2.954 -14.837
  148    HE2  TYR  23           HE1      TYR  23   7.979   6.383 -12.451
  149    HH   TYR  23           HH       TYR  23   9.958   6.011 -13.470
  150    H    MET  24           H        MET  24   2.055   5.192 -15.112
  151    HA   MET  24           HA       MET  24  -0.142   4.034 -13.792
  152    HB2  MET  24           1HB      MET  24   0.074   6.277 -15.793
  153    HB3  MET  24           2HB      MET  24  -1.461   5.803 -15.079
  154    HG2  MET  24           1HG      MET  24  -0.875   7.466 -13.653
  155    HG3  MET  24           2HG      MET  24  -0.122   6.100 -12.834
  156    HE1  MET  24           3HE      MET  24   2.049   5.492 -12.739
  157    HE2  MET  24           1HE      MET  24   3.490   6.410 -13.177
  158    HE3  MET  24           2HE      MET  24   2.527   6.896 -11.782
  159    H    TYR  25           H        TYR  25   0.730   4.179 -17.222
  160    HA   TYR  25           HA       TYR  25  -1.614   2.914 -18.178
  161    HB2  TYR  25           1HB      TYR  25   1.117   3.400 -19.331
  162    HB3  TYR  25           2HB      TYR  25  -0.056   2.415 -20.197
  163    HD1  TYR  25           HD1      TYR  25  -0.185   5.645 -18.306
  164    HD2  TYR  25           HD2      TYR  25  -1.092   3.558 -21.902
  165    HE1  TYR  25           HE1      TYR  25  -1.209   7.684 -19.224
  166    HE2  TYR  25           HE2      TYR  25  -2.117   5.592 -22.830
  167    HH   TYR  25           HH       TYR  25  -2.002   8.026 -22.504
  168    H    SER  26           H        SER  26   0.949   1.720 -16.384
  169    HA   SER  26           HA       SER  26   0.929  -0.952 -17.508
  170    HB2  SER  26           1HB      SER  26   2.991   0.154 -16.534
  171    HB3  SER  26           2HB      SER  26   2.254  -0.053 -14.945
  172    HG   SER  26           HG       SER  26   2.249  -2.289 -15.299
  173    H    HIS  27           H        HIS  27  -1.543   0.179 -16.388
  174    HA   HIS  27           HA       HIS  27  -3.305  -0.431 -15.081
  175    HB2  HIS  27           1HB      HIS  27  -2.641  -2.624 -16.309
  176    HB3  HIS  27           2HB      HIS  27  -2.033  -3.131 -14.736
  177    HD1  HIS  27           HD1      HIS  27  -3.744  -3.786 -12.966
  178    HD2  HIS  27           HD2      HIS  27  -5.460  -2.343 -16.464
  179    HE1  HIS  27           HE1      HIS  27  -6.198  -4.298 -12.772
  180    H    CYS  28           H        CYS  28  -1.609   1.017 -13.648
  181    HA   CYS  28           HA       CYS  28  -1.350  -0.414 -11.084
  182    HB2  CYS  28           1HB      CYS  28   0.703   0.690 -12.427
  183    HB3  CYS  28           2HB      CYS  28   0.172   2.097 -11.510
  184    H    PHE  29           H        PHE  29  -2.845   2.143 -12.762
  185    HA   PHE  29           HA       PHE  29  -3.806   3.291 -10.224
  186    HB2  PHE  29           1HB      PHE  29  -3.199   4.585 -12.867
  187    HB3  PHE  29           2HB      PHE  29  -4.328   5.330 -11.741
  188    HD1  PHE  29           HD2      PHE  29  -0.999   3.662 -11.448
  189    HD2  PHE  29           HD1      PHE  29  -3.405   7.060 -10.568
  190    HE1  PHE  29           HE2      PHE  29   0.886   4.679 -10.238
  191    HE2  PHE  29           HE1      PHE  29  -1.524   8.084  -9.358
  192    HZ   PHE  29           HZ       PHE  29   0.625   6.893  -9.190
  193    H    GLY  30           H        GLY  30  -4.634   1.891 -13.275
  194    HA2  GLY  30           1HA      GLY  30  -6.666   0.912 -13.854
  195    HA3  GLY  30           2HA      GLY  30  -7.393   1.642 -12.431
  196    H    VAL  31           H        VAL  31  -5.576   3.478 -14.791
  197    HA   VAL  31           HA       VAL  31  -8.033   4.945 -15.444
  198    HB   VAL  31           HB       VAL  31  -6.478   6.692 -16.335
  199   HG11  VAL  31          1HG1      VAL  31  -7.420   6.910 -14.116
  200   HG12  VAL  31          2HG1      VAL  31  -6.137   5.902 -13.443
  201   HG13  VAL  31          3HG1      VAL  31  -5.753   7.487 -14.116
  202   HG21  VAL  31          3HG2      VAL  31  -4.563   5.225 -16.777
  203   HG22  VAL  31          1HG2      VAL  31  -4.118   6.580 -15.740
  204   HG23  VAL  31          2HG2      VAL  31  -4.356   4.977 -15.043
  205    H    LYS  32           H        LYS  32  -5.403   3.122 -16.860
  206    HA   LYS  32           HA       LYS  32  -5.640   3.751 -19.535
  207    HB2  LYS  32           1HB      LYS  32  -3.872   2.316 -18.852
  208    HB3  LYS  32           2HB      LYS  32  -4.990   1.140 -18.175
  209    HG2  LYS  32           1HG      LYS  32  -5.529   0.264 -20.225
  210    HG3  LYS  32           2HG      LYS  32  -5.124   1.750 -21.087
  211    HD2  LYS  32           1HD      LYS  32  -2.939   0.310 -19.675
  212    HD3  LYS  32           2HD      LYS  32  -3.560  -0.387 -21.173
  213    HE2  LYS  32           1HE      LYS  32  -3.277   2.233 -21.861
  214    HE3  LYS  32           2HE      LYS  32  -1.939   2.020 -20.732
  215    HZ1  LYS  32           3HZ      LYS  32  -1.291   0.039 -22.066
  216    HZ2  LYS  32           1HZ      LYS  32  -1.156   1.506 -22.897
  217    HZ3  LYS  32           2HZ      LYS  32  -2.459   0.474 -23.210
  218    H    HIS  33           H        HIS  33  -6.971   3.188 -21.194
  219    HA   HIS  33           HA       HIS  33  -9.382   1.655 -20.475
  220    HB2  HIS  33           1HB      HIS  33 -10.437   2.946 -22.406
  221    HB3  HIS  33           2HB      HIS  33 -10.074   3.867 -20.949
  222    HD1  HIS  33           HD1      HIS  33  -8.281   5.691 -21.118
  223    HD2  HIS  33           HD2      HIS  33  -8.854   3.580 -24.651
  224    HE1  HIS  33           HE1      HIS  33  -7.060   6.997 -22.888
  225    H    SER  34           H        SER  34  -6.959   2.244 -22.964
  226    HA   SER  34           HA       SER  34  -7.985   0.432 -24.875
  227    HB2  SER  34           1HB      SER  34  -5.796   0.610 -25.948
  228    HB3  SER  34           2HB      SER  34  -6.343   2.202 -25.420
  229    HG   SER  34           HG       SER  34  -4.163   0.757 -24.636
  230    H    SER  35           H        SER  35  -7.092  -1.627 -25.506
  231    HA   SER  35           HA       SER  35  -6.355  -3.229 -23.173
  232    HB2  SER  35           1HB      SER  35  -7.213  -4.137 -25.931
  233    HB3  SER  35           2HB      SER  35  -7.013  -5.162 -24.510
  234    HG   SER  35           HG       SER  35  -8.764  -2.958 -24.449
  235    H    GLY  36           H        GLY  36  -4.171  -2.903 -22.932
  236    HA2  GLY  36           1HA      GLY  36  -1.986  -3.626 -23.266
  237    HA3  GLY  36           2HA      GLY  36  -2.482  -4.328 -24.799
  238    H    GLY  37           H        GLY  37  -0.306  -3.367 -25.359
  239    HA2  GLY  37           1HA      GLY  37  -0.788  -0.792 -26.638
  240    HA3  GLY  37           2HA      GLY  37   0.533  -0.849 -25.481
  241    H    GLY  38           H        GLY  38   2.321  -2.287 -25.913
  242    HA2  GLY  38           1HA      GLY  38   3.775  -3.469 -27.280
  243    HA3  GLY  38           2HA      GLY  38   2.520  -3.530 -28.508
  244    H    GLY  39           H        GLY  39   5.266  -3.024 -29.014
  245    HA2  GLY  39           1HA      GLY  39   6.422  -1.661 -30.476
  246    HA3  GLY  39           2HA      GLY  39   5.002  -0.630 -30.570
  247    H    SER  40           H        SER  40   7.131  -1.566 -27.873
  248    HA   SER  40           HA       SER  40   7.151   1.153 -26.909
  249    HB2  SER  40           1HB      SER  40   7.150  -1.024 -25.499
  250    HB3  SER  40           2HB      SER  40   8.883  -1.056 -25.824
  251    HG   SER  40           HG       SER  40   9.064   0.331 -24.271
  252    H    TYR  41           H        TYR  41   8.318   2.524 -28.130
  253    HA   TYR  41           HA       TYR  41  11.169   2.297 -28.108
  254    HB2  TYR  41           1HB      TYR  41  10.211   0.906 -30.139
  255    HB3  TYR  41           2HB      TYR  41  10.070   2.495 -30.881
  256    HD1  TYR  41           HD2      TYR  41  12.064   3.801 -31.414
  257    HD2  TYR  41           HD1      TYR  41  12.375  -0.084 -29.709
  258    HE1  TYR  41           HE2      TYR  41  14.440   3.724 -32.041
  259    HE2  TYR  41           HE1      TYR  41  14.753  -0.172 -30.330
  260    HH   TYR  41           HH       TYR  41  16.491   2.555 -31.343
  261    H    HIS  42           H        HIS  42  12.223   4.209 -29.003
  262    HA   HIS  42           HA       HIS  42  10.516   6.560 -28.694
  263    HB2  HIS  42           1HB      HIS  42  13.481   6.095 -28.549
  264    HB3  HIS  42           2HB      HIS  42  12.840   7.723 -28.752
  265    HD1  HIS  42           HD1      HIS  42  14.332   7.434 -26.264
  266    HD2  HIS  42           HD2      HIS  42  10.342   6.300 -26.503
  267    HE1  HIS  42           HE1      HIS  42  13.485   7.453 -23.897
  268    H    CYS  43           H        CYS  43  10.192   5.130 -31.089
  269    HA   CYS  43           HA       CYS  43  11.690   6.480 -33.162
  270    HB2  CYS  43           1HB      CYS  43  10.797   4.047 -33.196
  271    HB3  CYS  43           2HB      CYS  43   9.256   4.780 -33.632
  272    H1   NAG 101           H1       NAG 100   5.262  19.588 -21.209
  273    H2   NAG 101           HC2      NAG 100   7.388  19.930 -19.021
  274    H3   NAG 101           HC3      NAG 100   5.942  22.003 -20.772
  275    H4   NAG 101           HC4      NAG 100   8.851  21.011 -20.896
  276    H5   NAG 101           H5       NAG 100   6.459  20.469 -22.744
  277    H61  NAG 101           1H6      NAG 100   8.624  20.821 -23.964
  278    H62  NAG 101           2H6      NAG 100   9.414  19.630 -22.920
  279    H81  NAG 101           3H8      NAG 100   4.340  20.872 -15.986
  280    H82  NAG 101           1H8      NAG 100   3.216  20.134 -17.176
  281    H83  NAG 101           2H8      NAG 100   4.025  19.104 -15.948
  282    HN2  NAG 101           H2       NAG 100   4.707  21.192 -18.876
  283    HO3  NAG 101           H3       NAG 100   7.579  23.392 -19.844
  284    HO4  NAG 101           H4       NAG 100   9.073  22.490 -22.489
  285    HO6  NAG 101           HO6      NAG 100   7.491  18.181 -23.679
  286    H1   NAG 102           H1       NAG 200  10.885   5.069 -37.412
  287    H2   NAG 102           HC2      NAG 200   8.694   3.034 -38.107
  288    H3   NAG 102           HC3      NAG 200  10.130   5.126 -39.843
  289    H4   NAG 102           HC4      NAG 200   7.252   5.113 -38.756
  290    H5   NAG 102           H5       NAG 200   9.706   6.770 -37.939
  291    H61  NAG 102           1H6      NAG 200   7.565   8.080 -37.979
  292    H62  NAG 102           2H6      NAG 200   6.779   6.840 -36.990
  293    H81  NAG 102           3H8      NAG 200  11.973   0.648 -39.825
  294    H82  NAG 102           1H8      NAG 200  12.816   0.930 -38.265
  295    H83  NAG 102           2H8      NAG 200  11.652  -0.428 -38.423
  296    HN2  NAG 102           H2       NAG 200  11.336   3.083 -39.456
  297    HO3  NAG 102           H3       NAG 200   8.433   4.522 -41.335
  298    HO4  NAG 102           H4       NAG 200   7.033   6.970 -39.888
  299    HO6  NAG 102           HO6      NAG 200   8.760   7.261 -35.481
  Start of MODEL    7
    1    H1   LYS   1           H        LYS   1   1.597  -2.217  -3.308
    2    HA   LYS   1           HA       LYS   1   2.386  -1.930  -5.454
    3    HB2  LYS   1           1HB      LYS   1   2.081   0.744  -4.174
    4    HB3  LYS   1           2HB      LYS   1   2.804   0.679  -5.776
    5    HG2  LYS   1           1HG      LYS   1   0.867   0.069  -6.780
    6    HG3  LYS   1           2HG      LYS   1   0.292  -0.832  -5.375
    7    HD2  LYS   1           1HD      LYS   1   0.472   2.173  -5.424
    8    HD3  LYS   1           2HD      LYS   1  -0.969   1.293  -5.941
    9    HE2  LYS   1           1HE      LYS   1   0.163   0.551  -3.313
   10    HE3  LYS   1           2HE      LYS   1  -0.575   2.147  -3.425
   11    HZ1  LYS   1           3HZ      LYS   1  -2.557   0.995  -4.399
   12    HZ2  LYS   1           1HZ      LYS   1  -2.260   0.655  -2.769
   13    HZ3  LYS   1           2HZ      LYS   1  -1.848  -0.475  -3.957
   14    HA   PRO   2           HA       PRO   2   6.754  -1.866  -5.865
   15    HB2  PRO   2           1HB      PRO   2   7.094  -0.823  -8.348
   16    HB3  PRO   2           2HB      PRO   2   6.462  -2.450  -8.067
   17    HG2  PRO   2           1HG      PRO   2   4.981   0.079  -8.678
   18    HG3  PRO   2           2HG      PRO   2   4.726  -1.551  -9.327
   19    HD2  PRO   2           1HD      PRO   2   3.186  -0.510  -7.358
   20    HD3  PRO   2           2HD      PRO   2   3.551  -2.244  -7.468
   21    H    ALA   3           H        ALA   3   8.513  -0.239  -7.017
   22    HA   ALA   3           HA       ALA   3   8.354   2.162  -5.381
   23    HB1  ALA   3           1HB      ALA   3  10.418   0.453  -6.028
   24    HB2  ALA   3           2HB      ALA   3  10.746   1.883  -7.007
   25    HB3  ALA   3           3HB      ALA   3  10.576   2.032  -5.258
   26    H    TRP   4           H        TRP   4   7.026   1.540  -8.163
   27    HA   TRP   4           HA       TRP   4   7.956   3.951  -9.558
   28    HB2  TRP   4           1HB      TRP   4   5.987   2.193 -10.885
   29    HB3  TRP   4           2HB      TRP   4   7.439   2.952 -11.531
   30    HD1  TRP   4           HD1      TRP   4   9.710   1.661  -9.907
   31    HE1  TRP   4           HE1      TRP   4  10.207  -0.861 -10.052
   32    HE3  TRP   4           HE3      TRP   4   5.170   0.035 -11.603
   33    HZ2  TRP   4           HZ2      TRP   4   8.854  -3.226 -10.789
   34    HZ3  TRP   4           HZ3      TRP   4   4.854  -2.373 -12.003
   35    HH2  TRP   4           HH2      TRP   4   6.659  -3.967 -11.604
   36    H    CYS   5           H        CYS   5   4.937   2.276  -8.680
   37    HA   CYS   5           HA       CYS   5   3.396   4.687  -9.150
   38    HB2  CYS   5           1HB      CYS   5   2.376   2.118  -7.945
   39    HB3  CYS   5           2HB      CYS   5   1.463   3.352  -8.807
   40    H    TRP   6           H        TRP   6   1.484   4.627  -7.215
   41    HA   TRP   6           HA       TRP   6   2.725   4.630  -4.601
   42    HB2  TRP   6           1HB      TRP   6   2.939   6.954  -6.026
   43    HB3  TRP   6           2HB      TRP   6   1.436   7.218  -5.147
   44    HD1  TRP   6           HD1      TRP   6   5.157   7.247  -4.711
   45    HE1  TRP   6           HE1      TRP   6   5.744   7.816  -2.270
   46    HE3  TRP   6           HE3      TRP   6   0.505   6.812  -2.635
   47    HZ2  TRP   6           HZ2      TRP   6   4.411   8.049   0.207
   48    HZ3  TRP   6           HZ3      TRP   6   0.247   7.224  -0.223
   49    HH2  TRP   6           HH2      TRP   6   2.161   7.829   1.167
   50    H    TYR   7           H        TYR   7  -0.100   5.641  -6.503
   51    HA   TYR   7           HA       TYR   7  -1.886   4.027  -5.016
   52    HB2  TYR   7           1HB      TYR   7  -1.277   6.322  -3.657
   53    HB3  TYR   7           2HB      TYR   7  -2.710   6.813  -4.553
   54    HD1  TYR   7           HD2      TYR   7  -1.671   3.687  -2.773
   55    HD2  TYR   7           HD1      TYR   7  -4.608   6.728  -3.257
   56    HE1  TYR   7           HE2      TYR   7  -3.091   2.573  -1.102
   57    HE2  TYR   7           HE1      TYR   7  -6.035   5.623  -1.586
   58    HH   TYR   7           HH       TYR   7  -5.002   3.413   0.543
   59    H    THR   8           H        THR   8  -4.264   5.362  -5.380
   60    HA   THR   8           HA       THR   8  -4.403   5.473  -8.309
   61    HB   THR   8           HB       THR   8  -6.794   5.287  -6.495
   62    HG1  THR   8           HG1      THR   8  -6.558   3.076  -6.461
   63   HG21  THR   8          3HG2      THR   8  -7.907   5.109  -8.415
   64   HG22  THR   8          1HG2      THR   8  -6.910   3.740  -8.901
   65   HG23  THR   8          2HG2      THR   8  -6.400   5.383  -9.288
   66    H    LEU   9           H        LEU   9  -3.560   7.717  -6.560
   67    HA   LEU   9           HA       LEU   9  -5.641   9.624  -6.383
   68    HB2  LEU   9           1HB      LEU   9  -2.705   9.612  -6.116
   69    HB3  LEU   9           2HB      LEU   9  -3.429  11.162  -6.541
   70    HG   LEU   9           HG       LEU   9  -4.823   9.932  -4.328
   71   HD11  LEU   9          1HD1      LEU   9  -3.167   9.784  -2.710
   72   HD12  LEU   9          2HD1      LEU   9  -1.994  10.668  -3.686
   73   HD13  LEU   9          3HD1      LEU   9  -2.424   9.011  -4.111
   74   HD21  LEU   9          3HD2      LEU   9  -5.126  12.224  -4.722
   75   HD22  LEU   9          1HD2      LEU   9  -3.392  12.518  -4.860
   76   HD23  LEU   9          2HD2      LEU   9  -4.100  12.147  -3.288
   77    H    ALA  10           H        ALA  10  -3.525   8.640  -8.957
   78    HA   ALA  10           HA       ALA  10  -3.462   9.166 -11.171
   79    HB1  ALA  10           1HB      ALA  10  -5.923  10.835 -10.946
   80    HB2  ALA  10           2HB      ALA  10  -5.424   9.728 -12.226
   81    HB3  ALA  10           3HB      ALA  10  -6.034   9.092 -10.699
   82    H    MET  11           H        MET  11  -1.666  10.552 -10.052
   83    HA   MET  11           HA       MET  11  -1.973  13.348  -9.881
   84    HB2  MET  11           1HB      MET  11   0.488  11.651 -10.320
   85    HB3  MET  11           2HB      MET  11   0.533  13.382 -10.012
   86    HG2  MET  11           1HG      MET  11  -0.194  13.141  -7.823
   87    HG3  MET  11           2HG      MET  11  -0.853  11.533  -8.117
   88    HE1  MET  11           3HE      MET  11   1.648   9.428  -6.535
   89    HE2  MET  11           1HE      MET  11  -0.020   9.986  -6.672
   90    HE3  MET  11           2HE      MET  11   0.771   9.225  -8.053
   91    H    CYS  12           H        CYS  12   0.031  11.658 -12.293
   92    HA   CYS  12           HA       CYS  12   0.221  13.731 -14.104
   93    HB2  CYS  12           1HB      CYS  12   0.950  12.126 -15.710
   94    HB3  CYS  12           2HB      CYS  12   1.488  11.545 -14.138
   95    H    GLY  13           H        GLY  13  -0.806  14.110 -16.155
   96    HA2  GLY  13           1HA      GLY  13  -2.585  13.929 -17.692
   97    HA3  GLY  13           2HA      GLY  13  -3.452  12.930 -16.536
   98    H    ALA  14           H        ALA  14  -2.756  15.004 -14.418
   99    HA   ALA  14           HA       ALA  14  -4.914  16.880 -15.126
  100    HB1  ALA  14           1HB      ALA  14  -4.011  15.914 -12.416
  101    HB2  ALA  14           2HB      ALA  14  -5.255  17.135 -12.691
  102    HB3  ALA  14           3HB      ALA  14  -5.503  15.481 -13.252
  103    H    GLY  15           H        GLY  15  -2.004  17.120 -15.727
  104    HA2  GLY  15           1HA      GLY  15  -0.952  19.263 -16.007
  105    HA3  GLY  15           2HA      GLY  15  -1.627  19.751 -14.460
  106    H    TYR  16           H        TYR  16  -0.782  16.932 -13.507
  107    HA   TYR  16           HA       TYR  16   1.559  17.721 -12.185
  108    HB2  TYR  16           1HB      TYR  16   0.004  15.228 -12.469
  109    HB3  TYR  16           2HB      TYR  16   1.701  15.008 -12.058
  110    HD1  TYR  16           HD2      TYR  16  -1.471  16.547 -10.957
  111    HD2  TYR  16           HD1      TYR  16   2.517  15.525  -9.883
  112    HE1  TYR  16           HE2      TYR  16  -1.984  17.042  -8.603
  113    HE2  TYR  16           HE1      TYR  16   2.014  16.015  -7.525
  114    HH   TYR  16           HH       TYR  16  -1.228  17.066  -6.519
  115    H    ASP  17           H        ASP  17   1.049  16.107 -15.238
  116    HA   ASP  17           HA       ASP  17   3.967  16.068 -15.648
  117    HB2  ASP  17           1HB      ASP  17   1.909  14.109 -16.687
  118    HB3  ASP  17           2HB      ASP  17   3.601  14.132 -17.177
  119    H    SER  18           H        SER  18   4.195  15.633 -18.262
  120    HA   SER  18           HA       SER  18   3.189  18.099 -19.400
  121    HB2  SER  18           1HB      SER  18   5.346  16.180 -20.022
  122    HB3  SER  18           2HB      SER  18   4.589  16.938 -21.423
  123    H    GLY  19           H        GLY  19   0.955  17.221 -19.228
  124    HA2  GLY  19           1HA      GLY  19  -0.109  15.115 -18.873
  125    HA3  GLY  19           2HA      GLY  19  -0.537  15.565 -20.517
  126    H    THR  20           H        THR  20   1.794  13.729 -18.594
  127    HA   THR  20           HA       THR  20   1.812  11.648 -20.607
  128    HB   THR  20           HB       THR  20   3.590  12.965 -21.510
  129    HG1  THR  20           HG1      THR  20   5.327  11.492 -21.237
  130   HG21  THR  20          3HG2      THR  20   4.515  13.161 -18.658
  131   HG22  THR  20          1HG2      THR  20   4.191  14.460 -19.804
  132   HG23  THR  20          2HG2      THR  20   5.617  13.441 -20.006
  133    H    CYS  21           H        CYS  21   2.156   9.664 -19.745
  134    HA   CYS  21           HA       CYS  21   3.149   9.518 -16.980
  135    HB2  CYS  21           1HB      CYS  21   0.881   7.817 -18.011
  136    HB3  CYS  21           2HB      CYS  21   1.432   7.991 -16.349
  137    H    ASP  22           H        ASP  22   3.110   6.850 -16.566
  138    HA   ASP  22           HA       ASP  22   4.248   5.432 -18.805
  139    HB2  ASP  22           1HB      ASP  22   5.954   6.794 -16.896
  140    HB3  ASP  22           2HB      ASP  22   6.243   5.056 -16.881
  141    H    TYR  23           H        TYR  23   4.768   5.102 -15.306
  142    HA   TYR  23           HA       TYR  23   4.155   2.350 -15.286
  143    HB2  TYR  23           1HB      TYR  23   4.007   4.168 -12.885
  144    HB3  TYR  23           2HB      TYR  23   4.406   2.454 -12.924
  145    HD1  TYR  23           HD2      TYR  23   6.503   1.992 -14.631
  146    HD2  TYR  23           HD1      TYR  23   5.776   5.564 -12.437
  147    HE1  TYR  23           HE2      TYR  23   8.895   2.547 -14.755
  148    HE2  TYR  23           HE1      TYR  23   8.167   6.131 -12.556
  149    HH   TYR  23           HH       TYR  23  10.452   4.085 -14.337
  150    H    MET  24           H        MET  24   2.190   5.186 -15.035
  151    HA   MET  24           HA       MET  24  -0.046   4.099 -13.717
  152    HB2  MET  24           1HB      MET  24   0.269   6.387 -15.651
  153    HB3  MET  24           2HB      MET  24  -1.290   5.962 -14.957
  154    HG2  MET  24           1HG      MET  24  -0.621   7.564 -13.490
  155    HG3  MET  24           2HG      MET  24   0.028   6.131 -12.697
  156    HE1  MET  24           3HE      MET  24   2.389   5.393 -12.680
  157    HE2  MET  24           1HE      MET  24   3.686   6.584 -12.567
  158    HE3  MET  24           2HE      MET  24   2.314   6.667 -11.462
  159    H    TYR  25           H        TYR  25   0.797   4.298 -17.153
  160    HA   TYR  25           HA       TYR  25  -1.613   3.172 -18.117
  161    HB2  TYR  25           1HB      TYR  25   1.130   3.550 -19.285
  162    HB3  TYR  25           2HB      TYR  25  -0.103   2.653 -20.165
  163    HD1  TYR  25           HD1      TYR  25   0.000   5.841 -18.204
  164    HD2  TYR  25           HD2      TYR  25  -1.132   3.886 -21.809
  165    HE1  TYR  25           HE1      TYR  25  -0.923   7.956 -19.054
  166    HE2  TYR  25           HE2      TYR  25  -2.058   5.996 -22.670
  167    HH   TYR  25           HH       TYR  25  -1.350   8.831 -21.733
  168    H    SER  26           H        SER  26   0.921   1.808 -16.394
  169    HA   SER  26           HA       SER  26   0.743  -0.831 -17.581
  170    HB2  SER  26           1HB      SER  26   2.871   0.169 -16.603
  171    HB3  SER  26           2HB      SER  26   2.153  -0.092 -15.014
  172    HG   SER  26           HG       SER  26   3.544  -1.820 -15.862
  173    H    HIS  27           H        HIS  27  -1.675   0.316 -16.465
  174    HA   HIS  27           HA       HIS  27  -3.446  -0.239 -15.146
  175    HB2  HIS  27           1HB      HIS  27  -2.022  -2.836 -15.559
  176    HB3  HIS  27           2HB      HIS  27  -3.379  -2.779 -14.438
  177    HD1  HIS  27           HD1      HIS  27  -5.656  -2.954 -15.435
  178    HD2  HIS  27           HD2      HIS  27  -2.764  -2.020 -18.268
  179    HE1  HIS  27           HE1      HIS  27  -6.834  -3.050 -17.655
  180    H    CYS  28           H        CYS  28  -1.740   1.181 -13.714
  181    HA   CYS  28           HA       CYS  28  -1.481  -0.254 -11.153
  182    HB2  CYS  28           1HB      CYS  28   0.573   0.838 -12.492
  183    HB3  CYS  28           2HB      CYS  28   0.042   2.258 -11.596
  184    H    PHE  29           H        PHE  29  -2.919   2.365 -12.820
  185    HA   PHE  29           HA       PHE  29  -3.910   3.470 -10.274
  186    HB2  PHE  29           1HB      PHE  29  -3.224   4.802 -12.876
  187    HB3  PHE  29           2HB      PHE  29  -4.388   5.539 -11.780
  188    HD1  PHE  29           HD2      PHE  29  -1.099   3.823 -11.349
  189    HD2  PHE  29           HD1      PHE  29  -3.479   7.270 -10.596
  190    HE1  PHE  29           HE2      PHE  29   0.748   4.812 -10.060
  191    HE2  PHE  29           HE1      PHE  29  -1.635   8.266  -9.307
  192    HZ   PHE  29           HZ       PHE  29   0.482   7.036  -9.036
  193    H    GLY  30           H        GLY  30  -4.712   2.132 -13.358
  194    HA2  GLY  30           1HA      GLY  30  -6.796   1.090 -13.789
  195    HA3  GLY  30           2HA      GLY  30  -7.537   2.131 -12.582
  196    H    VAL  31           H        VAL  31  -5.405   3.505 -14.943
  197    HA   VAL  31           HA       VAL  31  -7.701   4.885 -16.144
  198    HB   VAL  31           HB       VAL  31  -6.059   6.513 -16.992
  199   HG11  VAL  31          1HG1      VAL  31  -5.313   7.363 -14.708
  200   HG12  VAL  31          2HG1      VAL  31  -7.044   7.118 -14.946
  201   HG13  VAL  31          3HG1      VAL  31  -6.099   5.931 -14.045
  202   HG21  VAL  31          3HG2      VAL  31  -3.732   6.418 -16.154
  203   HG22  VAL  31          1HG2      VAL  31  -4.065   4.815 -15.497
  204   HG23  VAL  31          2HG2      VAL  31  -4.128   5.084 -17.239
  205    H    LYS  32           H        LYS  32  -4.931   2.876 -16.907
  206    HA   LYS  32           HA       LYS  32  -4.888   3.116 -19.679
  207    HB2  LYS  32           1HB      LYS  32  -3.149   1.946 -18.419
  208    HB3  LYS  32           2HB      LYS  32  -4.293   0.682 -17.985
  209    HG2  LYS  32           1HG      LYS  32  -3.181  -0.305 -19.723
  210    HG3  LYS  32           2HG      LYS  32  -4.544   0.427 -20.573
  211    HD2  LYS  32           1HD      LYS  32  -1.954   1.903 -20.241
  212    HD3  LYS  32           2HD      LYS  32  -2.175   0.734 -21.545
  213    HE2  LYS  32           1HE      LYS  32  -4.447   2.208 -21.759
  214    HE3  LYS  32           2HE      LYS  32  -3.302   3.426 -21.201
  215    HZ1  LYS  32           3HZ      LYS  32  -2.639   3.573 -23.298
  216    HZ2  LYS  32           1HZ      LYS  32  -3.533   2.215 -23.765
  217    HZ3  LYS  32           2HZ      LYS  32  -1.970   2.027 -23.149
  218    H    HIS  33           H        HIS  33  -6.286   2.581 -21.217
  219    HA   HIS  33           HA       HIS  33  -8.726   1.214 -20.565
  220    HB2  HIS  33           1HB      HIS  33  -9.268   1.571 -22.970
  221    HB3  HIS  33           2HB      HIS  33  -8.811   3.052 -22.133
  222    HD1  HIS  33           HD1      HIS  33  -6.945   4.377 -23.131
  223    HD2  HIS  33           HD2      HIS  33  -7.139   0.519 -24.662
  224    HE1  HIS  33           HE1      HIS  33  -5.272   4.313 -25.008
  225    H    SER  34           H        SER  34  -9.442  -0.380 -22.516
  226    HA   SER  34           HA       SER  34  -7.464  -2.552 -22.424
  227    HB2  SER  34           1HB      SER  34  -9.603  -3.907 -23.126
  228    HB3  SER  34           2HB      SER  34  -9.388  -3.409 -21.447
  229    HG   SER  34           HG       SER  34 -10.983  -2.014 -21.640
  230    H    SER  35           H        SER  35  -6.405  -3.025 -24.221
  231    HA   SER  35           HA       SER  35  -7.297  -1.935 -26.761
  232    HB2  SER  35           1HB      SER  35  -4.790  -3.477 -26.049
  233    HB3  SER  35           2HB      SER  35  -5.109  -2.710 -27.604
  234    HG   SER  35           HG       SER  35  -4.754  -1.467 -25.085
  235    H    GLY  36           H        GLY  36  -7.154  -4.985 -25.107
  236    HA2  GLY  36           1HA      GLY  36  -8.329  -6.920 -25.656
  237    HA3  GLY  36           2HA      GLY  36  -8.715  -6.213 -27.217
  238    H    GLY  37           H        GLY  37  -6.338  -8.009 -25.380
  239    HA2  GLY  37           1HA      GLY  37  -5.120  -8.834 -27.940
  240    HA3  GLY  37           2HA      GLY  37  -4.129  -8.455 -26.540
  241    H    GLY  38           H        GLY  38  -7.148 -10.042 -26.006
  242    HA2  GLY  38           1HA      GLY  38  -7.563 -12.390 -25.898
  243    HA3  GLY  38           2HA      GLY  38  -5.827 -12.663 -25.878
  244    H    GLY  39           H        GLY  39  -5.692 -10.368 -23.837
  245    HA2  GLY  39           1HA      GLY  39  -6.196 -12.105 -21.523
  246    HA3  GLY  39           2HA      GLY  39  -5.103 -10.729 -21.556
  247    H    SER  40           H        SER  40  -5.790  -8.888 -20.680
  248    HA   SER  40           HA       SER  40  -7.127  -7.395 -19.600
  249    HB2  SER  40           1HB      SER  40  -8.939  -8.302 -21.835
  250    HB3  SER  40           2HB      SER  40  -9.423  -7.051 -20.690
  251    HG   SER  40           HG       SER  40  -7.211  -7.012 -22.464
  252    H    TYR  41           H        TYR  41  -6.955  -9.828 -18.328
  253    HA   TYR  41           HA       TYR  41  -9.496 -10.919 -17.661
  254    HB2  TYR  41           1HB      TYR  41  -7.048 -11.884 -17.387
  255    HB3  TYR  41           2HB      TYR  41  -7.175 -11.145 -15.795
  256    HD1  TYR  41           HD2      TYR  41  -8.774 -11.987 -14.155
  257    HD2  TYR  41           HD1      TYR  41  -8.389 -13.809 -17.981
  258    HE1  TYR  41           HE2      TYR  41 -10.011 -13.949 -13.338
  259    HE2  TYR  41           HE1      TYR  41  -9.626 -15.776 -17.175
  260    HH   TYR  41           HH       TYR  41 -10.159 -16.423 -13.965
  261    H    HIS  42           H        HIS  42 -10.489 -10.858 -15.528
  262    HA   HIS  42           HA       HIS  42 -10.436  -8.147 -14.440
  263    HB2  HIS  42           1HB      HIS  42 -12.403 -10.414 -14.314
  264    HB3  HIS  42           2HB      HIS  42 -12.500  -9.083 -13.164
  265    HD1  HIS  42           HD1      HIS  42 -11.534  -8.461 -16.728
  266    HD2  HIS  42           HD2      HIS  42 -14.866  -8.102 -14.271
  267    HE1  HIS  42           HE1      HIS  42 -13.195  -7.104 -18.041
  268    H    CYS  43           H        CYS  43  -8.221  -9.761 -13.812
  269    HA   CYS  43           HA       CYS  43  -8.669 -10.475 -10.996
  270    HB2  CYS  43           1HB      CYS  43  -7.689 -12.228 -12.448
  271    HB3  CYS  43           2HB      CYS  43  -6.329 -11.162 -12.788
  272    H1   NAG 101           H1       NAG 100   5.210  19.762 -21.341
  273    H2   NAG 101           HC2      NAG 100   7.281  20.063 -19.096
  274    H3   NAG 101           HC3      NAG 100   6.028  22.146 -20.979
  275    H4   NAG 101           HC4      NAG 100   8.871  20.969 -20.960
  276    H5   NAG 101           H5       NAG 100   6.510  20.500 -22.867
  277    H61  NAG 101           1H6      NAG 100   8.732  20.663 -24.024
  278    H62  NAG 101           2H6      NAG 100   9.410  19.471 -22.906
  279    H81  NAG 101           3H8      NAG 100   3.921  21.510 -16.647
  280    H82  NAG 101           1H8      NAG 100   3.034  20.075 -17.261
  281    H83  NAG 101           2H8      NAG 100   4.098  19.925 -15.822
  282    HN2  NAG 101           H2       NAG 100   4.684  21.495 -19.096
  283    HO3  NAG 101           H3       NAG 100   7.720  23.468 -20.051
  284    HO4  NAG 101           H4       NAG 100   9.239  22.362 -22.603
  285    HO6  NAG 101           HO6      NAG 100   7.423  18.114 -23.672
  286    H1   NAG 102           H1       NAG 200  -5.888 -13.128  -8.900
  287    H2   NAG 102           HC2      NAG 200  -6.921 -11.100  -6.840
  288    H3   NAG 102           HC3      NAG 200  -6.198 -14.074  -6.557
  289    H4   NAG 102           HC4      NAG 200  -8.958 -12.714  -6.572
  290    H5   NAG 102           H5       NAG 200  -7.555 -14.447  -8.685
  291    H61  NAG 102           1H6      NAG 200 -10.005 -14.931  -8.440
  292    H62  NAG 102           2H6      NAG 200 -10.369 -13.206  -8.594
  293    H81  NAG 102           3H8      NAG 200  -2.671  -9.284  -6.751
  294    H82  NAG 102           1H8      NAG 200  -2.846 -10.381  -5.340
  295    H83  NAG 102           2H8      NAG 200  -2.348 -11.041  -6.934
  296    HN2  NAG 102           H2       NAG 200  -4.347 -12.541  -6.533
  297    HO3  NAG 102           H3       NAG 200  -7.238 -13.756  -4.485
  298    HO4  NAG 102           H4       NAG 200  -9.725 -14.725  -6.195
  299    HO6  NAG 102           HO6      NAG 200  -9.002 -13.446 -10.704
  Start of MODEL    8
    1    H1   LYS   1           H        LYS   1   1.510  -2.230  -3.354
    2    HA   LYS   1           HA       LYS   1   2.380  -2.010  -5.508
    3    HB2  LYS   1           1HB      LYS   1   2.078   0.642  -4.175
    4    HB3  LYS   1           2HB      LYS   1   2.778   0.600  -5.788
    5    HG2  LYS   1           1HG      LYS   1   0.831  -0.134  -6.764
    6    HG3  LYS   1           2HG      LYS   1   0.223  -0.844  -5.267
    7    HD2  LYS   1           1HD      LYS   1  -0.209   1.356  -4.357
    8    HD3  LYS   1           2HD      LYS   1   0.506   2.116  -5.780
    9    HE2  LYS   1           1HE      LYS   1  -1.631   2.221  -6.482
   10    HE3  LYS   1           2HE      LYS   1  -1.353   0.543  -6.946
   11    HZ1  LYS   1           3HZ      LYS   1  -2.744   1.570  -4.547
   12    HZ2  LYS   1           1HZ      LYS   1  -2.177  -0.022  -4.633
   13    HZ3  LYS   1           2HZ      LYS   1  -3.335   0.524  -5.739
   14    HA   PRO   2           HA       PRO   2   6.749  -1.920  -5.902
   15    HB2  PRO   2           1HB      PRO   2   7.092  -0.826  -8.363
   16    HB3  PRO   2           2HB      PRO   2   6.466  -2.461  -8.117
   17    HG2  PRO   2           1HG      PRO   2   4.976   0.073  -8.681
   18    HG3  PRO   2           2HG      PRO   2   4.730  -1.545  -9.363
   19    HD2  PRO   2           1HD      PRO   2   3.180  -0.549  -7.379
   20    HD3  PRO   2           2HD      PRO   2   3.553  -2.279  -7.523
   21    H    ALA   3           H        ALA   3   8.504  -0.264  -7.015
   22    HA   ALA   3           HA       ALA   3   8.330   2.104  -5.333
   23    HB1  ALA   3           1HB      ALA   3  10.608   2.206  -5.406
   24    HB2  ALA   3           2HB      ALA   3  10.381   0.482  -5.707
   25    HB3  ALA   3           3HB      ALA   3  10.696   1.579  -7.052
   26    H    TRP   4           H        TRP   4   7.018   1.529  -8.134
   27    HA   TRP   4           HA       TRP   4   7.942   3.973  -9.476
   28    HB2  TRP   4           1HB      TRP   4   5.987   2.234 -10.849
   29    HB3  TRP   4           2HB      TRP   4   7.441   3.010 -11.471
   30    HD1  TRP   4           HD1      TRP   4   9.709   1.695  -9.865
   31    HE1  TRP   4           HE1      TRP   4  10.214  -0.822 -10.054
   32    HE3  TRP   4           HE3      TRP   4   5.179   0.086 -11.605
   33    HZ2  TRP   4           HZ2      TRP   4   8.870  -3.177 -10.838
   34    HZ3  TRP   4           HZ3      TRP   4   4.871  -2.314 -12.050
   35    HH2  TRP   4           HH2      TRP   4   6.680  -3.910 -11.674
   36    H    CYS   5           H        CYS   5   4.931   2.267  -8.630
   37    HA   CYS   5           HA       CYS   5   3.366   4.662  -9.084
   38    HB2  CYS   5           1HB      CYS   5   2.377   2.094  -7.854
   39    HB3  CYS   5           2HB      CYS   5   1.452   3.309  -8.730
   40    H    TRP   6           H        TRP   6   1.468   4.584  -7.132
   41    HA   TRP   6           HA       TRP   6   2.703   4.590  -4.523
   42    HB2  TRP   6           1HB      TRP   6   2.984   6.907  -5.942
   43    HB3  TRP   6           2HB      TRP   6   1.474   7.207  -5.086
   44    HD1  TRP   6           HD1      TRP   6   5.192   7.120  -4.587
   45    HE1  TRP   6           HE1      TRP   6   5.753   7.694  -2.141
   46    HE3  TRP   6           HE3      TRP   6   0.490   6.873  -2.596
   47    HZ2  TRP   6           HZ2      TRP   6   4.383   8.001   0.308
   48    HZ3  TRP   6           HZ3      TRP   6   0.201   7.320  -0.194
   49    HH2  TRP   6           HH2      TRP   6   2.109   7.871   1.226
   50    H    TYR   7           H        TYR   7  -0.085   5.490  -6.505
   51    HA   TYR   7           HA       TYR   7  -1.905   3.975  -4.995
   52    HB2  TYR   7           1HB      TYR   7  -1.280   6.281  -3.655
   53    HB3  TYR   7           2HB      TYR   7  -2.707   6.770  -4.562
   54    HD1  TYR   7           HD2      TYR   7  -1.691   3.658  -2.744
   55    HD2  TYR   7           HD1      TYR   7  -4.611   6.707  -3.272
   56    HE1  TYR   7           HE2      TYR   7  -3.122   2.570  -1.066
   57    HE2  TYR   7           HE1      TYR   7  -6.049   5.628  -1.595
   58    HH   TYR   7           HH       TYR   7  -4.990   3.330   0.531
   59    H    THR   8           H        THR   8  -4.267   5.306  -5.395
   60    HA   THR   8           HA       THR   8  -4.375   5.411  -8.325
   61    HB   THR   8           HB       THR   8  -6.785   5.244  -6.535
   62    HG1  THR   8           HG1      THR   8  -4.991   3.183  -7.294
   63   HG21  THR   8          3HG2      THR   8  -7.867   5.102  -8.475
   64   HG22  THR   8          1HG2      THR   8  -6.919   3.682  -8.916
   65   HG23  THR   8          2HG2      THR   8  -6.340   5.295  -9.335
   66    H    LEU   9           H        LEU   9  -3.550   7.655  -6.554
   67    HA   LEU   9           HA       LEU   9  -5.616   9.574  -6.408
   68    HB2  LEU   9           1HB      LEU   9  -2.666   9.580  -6.175
   69    HB3  LEU   9           2HB      LEU   9  -3.438  11.125  -6.528
   70    HG   LEU   9           HG       LEU   9  -4.695   9.711  -4.311
   71   HD11  LEU   9          1HD1      LEU   9  -2.244   9.025  -4.151
   72   HD12  LEU   9          2HD1      LEU   9  -2.963   9.797  -2.738
   73   HD13  LEU   9          3HD1      LEU   9  -1.915  10.724  -3.810
   74   HD21  LEU   9          3HD2      LEU   9  -5.187  12.014  -4.813
   75   HD22  LEU   9          1HD2      LEU   9  -3.482  12.447  -4.680
   76   HD23  LEU   9          2HD2      LEU   9  -4.374  11.927  -3.250
   77    H    ALA  10           H        ALA  10  -3.449   8.605  -8.956
   78    HA   ALA  10           HA       ALA  10  -3.356   9.132 -11.169
   79    HB1  ALA  10           1HB      ALA  10  -5.863  10.731 -11.013
   80    HB2  ALA  10           2HB      ALA  10  -5.316   9.608 -12.258
   81    HB3  ALA  10           3HB      ALA  10  -5.940   8.993 -10.727
   82    H    MET  11           H        MET  11  -1.610  10.566 -10.069
   83    HA   MET  11           HA       MET  11  -2.006  13.354  -9.890
   84    HB2  MET  11           1HB      MET  11   0.518  11.749 -10.322
   85    HB3  MET  11           2HB      MET  11   0.489  13.472  -9.974
   86    HG2  MET  11           1HG      MET  11  -0.238  13.154  -7.799
   87    HG3  MET  11           2HG      MET  11  -0.850  11.537  -8.136
   88    HE1  MET  11           3HE      MET  11   2.017   9.394  -8.662
   89    HE2  MET  11           1HE      MET  11   1.181   9.255  -7.116
   90    HE3  MET  11           2HE      MET  11   0.276   9.662  -8.574
   91    H    CYS  12           H        CYS  12  -0.013  11.654 -12.311
   92    HA   CYS  12           HA       CYS  12   0.207  13.730 -14.116
   93    HB2  CYS  12           1HB      CYS  12   0.900  12.118 -15.730
   94    HB3  CYS  12           2HB      CYS  12   1.430  11.517 -14.162
   95    H    GLY  13           H        GLY  13  -0.820  14.114 -16.174
   96    HA2  GLY  13           1HA      GLY  13  -2.615  13.964 -17.696
   97    HA3  GLY  13           2HA      GLY  13  -3.499  12.998 -16.523
   98    H    ALA  14           H        ALA  14  -2.792  15.027 -14.403
   99    HA   ALA  14           HA       ALA  14  -4.892  16.961 -15.118
  100    HB1  ALA  14           1HB      ALA  14  -5.184  17.255 -12.678
  101    HB2  ALA  14           2HB      ALA  14  -5.488  15.604 -13.220
  102    HB3  ALA  14           3HB      ALA  14  -3.972  16.001 -12.412
  103    H    GLY  15           H        GLY  15  -1.973  17.123 -15.745
  104    HA2  GLY  15           1HA      GLY  15  -0.887  19.246 -16.071
  105    HA3  GLY  15           2HA      GLY  15  -1.531  19.766 -14.521
  106    H    TYR  16           H        TYR  16  -0.745  16.977 -13.498
  107    HA   TYR  16           HA       TYR  16   1.622  17.715 -12.221
  108    HB2  TYR  16           1HB      TYR  16   0.030  15.249 -12.491
  109    HB3  TYR  16           2HB      TYR  16   1.730  14.994 -12.112
  110    HD1  TYR  16           HD1      TYR  16   2.673  15.828 -10.006
  111    HD2  TYR  16           HD2      TYR  16  -1.469  16.243 -10.889
  112    HE1  TYR  16           HE1      TYR  16   2.222  16.315  -7.637
  113    HE2  TYR  16           HE2      TYR  16  -1.930  16.732  -8.523
  114    HH   TYR  16           HH       TYR  16  -0.531  17.698  -6.536
  115    H    ASP  17           H        ASP  17   1.080  16.209 -15.306
  116    HA   ASP  17           HA       ASP  17   3.992  16.137 -15.733
  117    HB2  ASP  17           1HB      ASP  17   1.950  14.139 -16.727
  118    HB3  ASP  17           2HB      ASP  17   3.641  14.173 -17.221
  119    H    SER  18           H        SER  18   4.188  15.664 -18.344
  120    HA   SER  18           HA       SER  18   3.149  18.105 -19.502
  121    HB2  SER  18           1HB      SER  18   5.534  17.193 -19.796
  122    HB3  SER  18           2HB      SER  18   4.825  16.051 -20.937
  123    H    GLY  19           H        GLY  19   0.918  17.249 -19.296
  124    HA2  GLY  19           1HA      GLY  19  -0.149  15.153 -18.886
  125    HA3  GLY  19           2HA      GLY  19  -0.604  15.583 -20.528
  126    H    THR  20           H        THR  20   1.762  13.766 -18.627
  127    HA   THR  20           HA       THR  20   1.733  11.662 -20.622
  128    HB   THR  20           HB       THR  20   3.555  13.255 -21.334
  129    HG1  THR  20           HG1      THR  20   4.261  11.447 -22.157
  130   HG21  THR  20          3HG2      THR  20   4.308  13.884 -19.072
  131   HG22  THR  20          1HG2      THR  20   5.630  13.270 -20.064
  132   HG23  THR  20          2HG2      THR  20   4.903  12.243 -18.828
  133    H    CYS  21           H        CYS  21   2.095   9.676 -19.759
  134    HA   CYS  21           HA       CYS  21   3.071   9.544 -16.987
  135    HB2  CYS  21           1HB      CYS  21   0.819   7.828 -18.030
  136    HB3  CYS  21           2HB      CYS  21   1.359   8.007 -16.364
  137    H    ASP  22           H        ASP  22   3.130   6.923 -16.522
  138    HA   ASP  22           HA       ASP  22   4.269   5.488 -18.763
  139    HB2  ASP  22           1HB      ASP  22   5.937   6.859 -16.817
  140    HB3  ASP  22           2HB      ASP  22   6.252   5.126 -16.839
  141    H    TYR  23           H        TYR  23   4.765   5.167 -15.261
  142    HA   TYR  23           HA       TYR  23   4.170   2.412 -15.241
  143    HB2  TYR  23           1HB      TYR  23   3.994   4.233 -12.843
  144    HB3  TYR  23           2HB      TYR  23   4.404   2.521 -12.877
  145    HD1  TYR  23           HD2      TYR  23   6.507   2.095 -14.613
  146    HD2  TYR  23           HD1      TYR  23   5.760   5.613 -12.340
  147    HE1  TYR  23           HE2      TYR  23   8.897   2.666 -14.723
  148    HE2  TYR  23           HE1      TYR  23   8.147   6.195 -12.444
  149    HH   TYR  23           HH       TYR  23  10.454   4.421 -12.885
  150    H    MET  24           H        MET  24   2.183   5.233 -15.012
  151    HA   MET  24           HA       MET  24  -0.053   4.137 -13.704
  152    HB2  MET  24           1HB      MET  24   0.254   6.413 -15.653
  153    HB3  MET  24           2HB      MET  24  -1.304   5.981 -14.962
  154    HG2  MET  24           1HG      MET  24  -0.656   7.597 -13.501
  155    HG3  MET  24           2HG      MET  24   0.010   6.177 -12.699
  156    HE1  MET  24           3HE      MET  24   2.263   5.450 -12.645
  157    HE2  MET  24           1HE      MET  24   3.671   6.507 -12.755
  158    HE3  MET  24           2HE      MET  24   2.457   6.784 -11.506
  159    H    TYR  25           H        TYR  25   0.813   4.316 -17.134
  160    HA   TYR  25           HA       TYR  25  -1.583   3.163 -18.105
  161    HB2  TYR  25           1HB      TYR  25   1.159   3.572 -19.259
  162    HB3  TYR  25           2HB      TYR  25  -0.050   2.645 -20.140
  163    HD1  TYR  25           HD1      TYR  25  -0.071   5.839 -18.186
  164    HD2  TYR  25           HD2      TYR  25  -1.039   3.857 -21.824
  165    HE1  TYR  25           HE1      TYR  25  -1.027   7.928 -19.062
  166    HE2  TYR  25           HE2      TYR  25  -1.998   5.942 -22.711
  167    HH   TYR  25           HH       TYR  25  -1.724   8.416 -22.294
  168    H    SER  26           H        SER  26   0.930   1.834 -16.341
  169    HA   SER  26           HA       SER  26   0.812  -0.810 -17.523
  170    HB2  SER  26           1HB      SER  26   2.859   0.358 -16.375
  171    HB3  SER  26           2HB      SER  26   2.120  -0.230 -14.886
  172    HG   SER  26           HG       SER  26   3.395  -1.872 -15.491
  173    H    HIS  27           H        HIS  27  -1.638   0.332 -16.441
  174    HA   HIS  27           HA       HIS  27  -3.429  -0.244 -15.159
  175    HB2  HIS  27           1HB      HIS  27  -2.733  -2.461 -16.367
  176    HB3  HIS  27           2HB      HIS  27  -2.241  -2.966 -14.753
  177    HD1  HIS  27           HD1      HIS  27  -4.098  -4.771 -14.702
  178    HD2  HIS  27           HD2      HIS  27  -5.507  -0.881 -15.084
  179    HE1  HIS  27           HE1      HIS  27  -6.568  -4.903 -14.250
  180    H    CYS  28           H        CYS  28  -1.643   1.149 -13.718
  181    HA   CYS  28           HA       CYS  28  -1.475  -0.276 -11.145
  182    HB2  CYS  28           1HB      CYS  28   0.607   0.805 -12.461
  183    HB3  CYS  28           2HB      CYS  28   0.084   2.217 -11.548
  184    H    PHE  29           H        PHE  29  -2.877   2.340 -12.835
  185    HA   PHE  29           HA       PHE  29  -3.889   3.462 -10.305
  186    HB2  PHE  29           1HB      PHE  29  -3.150   4.791 -12.896
  187    HB3  PHE  29           2HB      PHE  29  -4.315   5.540 -11.809
  188    HD1  PHE  29           HD2      PHE  29  -1.042   3.793 -11.383
  189    HD2  PHE  29           HD1      PHE  29  -3.408   7.238 -10.577
  190    HE1  PHE  29           HE2      PHE  29   0.807   4.751 -10.072
  191    HE2  PHE  29           HE1      PHE  29  -1.563   8.203  -9.266
  192    HZ   PHE  29           HZ       PHE  29   0.548   6.960  -9.012
  193    H    GLY  30           H        GLY  30  -4.652   2.193 -13.440
  194    HA2  GLY  30           1HA      GLY  30  -6.683   1.280 -14.120
  195    HA3  GLY  30           2HA      GLY  30  -7.436   1.949 -12.680
  196    H    VAL  31           H        VAL  31  -5.536   3.825 -14.958
  197    HA   VAL  31           HA       VAL  31  -7.939   5.403 -15.553
  198    HB   VAL  31           HB       VAL  31  -6.311   7.117 -16.393
  199   HG11  VAL  31          1HG1      VAL  31  -6.346   6.191 -13.547
  200   HG12  VAL  31          2HG1      VAL  31  -5.407   7.608 -14.021
  201   HG13  VAL  31          3HG1      VAL  31  -7.152   7.578 -14.279
  202   HG21  VAL  31          3HG2      VAL  31  -4.025   6.186 -14.952
  203   HG22  VAL  31          1HG2      VAL  31  -4.500   4.973 -16.141
  204   HG23  VAL  31          2HG2      VAL  31  -4.160   6.626 -16.654
  205    H    LYS  32           H        LYS  32  -5.413   3.494 -17.025
  206    HA   LYS  32           HA       LYS  32  -5.615   4.241 -19.681
  207    HB2  LYS  32           1HB      LYS  32  -3.994   2.589 -18.649
  208    HB3  LYS  32           2HB      LYS  32  -5.277   1.391 -18.746
  209    HG2  LYS  32           1HG      LYS  32  -5.219   2.389 -21.293
  210    HG3  LYS  32           2HG      LYS  32  -3.517   2.429 -20.825
  211    HD2  LYS  32           1HD      LYS  32  -5.226  -0.005 -20.396
  212    HD3  LYS  32           2HD      LYS  32  -4.393   0.291 -21.924
  213    HE2  LYS  32           1HE      LYS  32  -2.312   0.634 -20.378
  214    HE3  LYS  32           2HE      LYS  32  -3.263  -0.297 -19.222
  215    HZ1  LYS  32           3HZ      LYS  32  -1.710  -1.282 -21.279
  216    HZ2  LYS  32           1HZ      LYS  32  -3.309  -1.532 -21.771
  217    HZ3  LYS  32           2HZ      LYS  32  -2.772  -2.157 -20.294
  218    H    HIS  33           H        HIS  33  -7.107   4.027 -21.229
  219    HA   HIS  33           HA       HIS  33  -9.735   3.260 -20.672
  220    HB2  HIS  33           1HB      HIS  33  -8.439   3.344 -23.403
  221    HB3  HIS  33           2HB      HIS  33 -10.156   3.500 -23.042
  222    HD1  HIS  33           HD1      HIS  33 -10.870   5.740 -21.781
  223    HD2  HIS  33           HD2      HIS  33  -7.015   5.684 -23.330
  224    HE1  HIS  33           HE1      HIS  33 -10.126   8.142 -21.823
  225    H    SER  34           H        SER  34 -10.845   1.603 -22.303
  226    HA   SER  34           HA       SER  34 -11.322  -0.608 -22.589
  227    HB2  SER  34           1HB      SER  34  -8.410  -0.497 -23.378
  228    HB3  SER  34           2HB      SER  34  -9.381  -1.959 -23.551
  229    HG   SER  34           HG       SER  34  -9.635   0.513 -24.873
  230    H    SER  35           H        SER  35 -11.011  -0.015 -19.950
  231    HA   SER  35           HA       SER  35  -9.169  -1.850 -18.702
  232    HB2  SER  35           1HB      SER  35 -10.470  -1.114 -16.599
  233    HB3  SER  35           2HB      SER  35  -9.525   0.110 -17.447
  234    HG   SER  35           HG       SER  35 -11.314   1.081 -18.079
  235    H    GLY  36           H        GLY  36 -10.122  -3.699 -19.960
  236    HA2  GLY  36           1HA      GLY  36 -12.236  -4.940 -18.329
  237    HA3  GLY  36           2HA      GLY  36 -12.378  -4.942 -20.081
  238    H    GLY  37           H        GLY  37  -9.907  -5.734 -17.625
  239    HA2  GLY  37           1HA      GLY  37  -9.592  -8.352 -18.917
  240    HA3  GLY  37           2HA      GLY  37  -8.172  -7.335 -18.722
  241    H    GLY  38           H        GLY  38 -10.577  -7.158 -16.265
  242    HA2  GLY  38           1HA      GLY  38  -8.760  -8.617 -14.462
  243    HA3  GLY  38           2HA      GLY  38  -9.889  -7.365 -13.965
  244    H    GLY  39           H        GLY  39 -12.010  -7.886 -13.533
  245    HA2  GLY  39           1HA      GLY  39 -13.546  -9.982 -14.231
  246    HA3  GLY  39           2HA      GLY  39 -12.495 -10.696 -13.018
  247    H    SER  40           H        SER  40 -13.201 -10.648 -10.995
  248    HA   SER  40           HA       SER  40 -15.652  -9.446 -10.291
  249    HB2  SER  40           1HB      SER  40 -13.586 -10.250  -8.258
  250    HB3  SER  40           2HB      SER  40 -15.342 -10.378  -8.161
  251    HG   SER  40           HG       SER  40 -14.646 -12.405  -8.596
  252    H    TYR  41           H        TYR  41 -16.139  -7.645  -9.072
  253    HA   TYR  41           HA       TYR  41 -14.072  -5.948  -8.007
  254    HB2  TYR  41           1HB      TYR  41 -14.380  -5.519 -10.596
  255    HB3  TYR  41           2HB      TYR  41 -15.784  -4.604 -10.057
  256    HD1  TYR  41           HD1      TYR  41 -12.120  -4.786 -10.036
  257    HD2  TYR  41           HD2      TYR  41 -15.523  -2.540  -8.821
  258    HE1  TYR  41           HE1      TYR  41 -10.668  -2.864  -9.544
  259    HE2  TYR  41           HE2      TYR  41 -14.080  -0.610  -8.327
  260    HH   TYR  41           HH       TYR  41 -10.583  -0.729  -8.928
  261    H    HIS  42           H        HIS  42 -14.969  -4.033  -6.920
  262    HA   HIS  42           HA       HIS  42 -17.589  -4.661  -5.792
  263    HB2  HIS  42           1HB      HIS  42 -15.306  -2.911  -4.905
  264    HB3  HIS  42           2HB      HIS  42 -16.899  -2.779  -4.164
  265    HD1  HIS  42           HD1      HIS  42 -17.812  -5.324  -3.344
  266    HD2  HIS  42           HD2      HIS  42 -13.723  -4.623  -3.558
  267    HE1  HIS  42           HE1      HIS  42 -16.753  -7.077  -1.886
  268    H    CYS  43           H        CYS  43 -17.603  -3.645  -8.413
  269    HA   CYS  43           HA       CYS  43 -18.768  -0.970  -7.989
  270    HB2  CYS  43           1HB      CYS  43 -17.014  -2.035 -10.145
  271    HB3  CYS  43           2HB      CYS  43 -18.278  -0.904 -10.617
  272    H1   NAG 101           H1       NAG 100   4.562  19.543 -22.200
  273    H2   NAG 101           HC2      NAG 100   6.910  19.951 -20.265
  274    H3   NAG 101           HC3      NAG 100   5.274  21.970 -21.908
  275    H4   NAG 101           HC4      NAG 100   8.158  20.979 -22.317
  276    H5   NAG 101           H5       NAG 100   5.582  20.380 -23.879
  277    H61  NAG 101           1H6      NAG 100   7.602  20.699 -25.335
  278    H62  NAG 101           2H6      NAG 100   8.505  19.541 -24.349
  279    H81  NAG 101           3H8      NAG 100   3.972  21.127 -17.209
  280    H82  NAG 101           1H8      NAG 100   2.947  19.832 -17.913
  281    H83  NAG 101           2H8      NAG 100   4.146  19.433 -16.637
  282    HN2  NAG 101           H2       NAG 100   4.255  21.214 -19.867
  283    HO3  NAG 101           H3       NAG 100   6.996  23.388 -21.203
  284    HO4  NAG 101           H4       NAG 100   8.200  22.411 -23.967
  285    HO6  NAG 101           HO6      NAG 100   6.518  18.067 -24.854
  286    H1   NAG 102           H1       NAG 200 -15.789   1.939  -9.766
  287    H2   NAG 102           HC2      NAG 200 -18.165   3.770  -9.115
  288    H3   NAG 102           HC3      NAG 200 -15.218   4.420  -9.701
  289    H4   NAG 102           HC4      NAG 200 -16.762   4.517  -7.042
  290    H5   NAG 102           H5       NAG 200 -14.642   2.546  -8.069
  291    H61  NAG 102           1H6      NAG 200 -14.381   3.144  -5.645
  292    H62  NAG 102           2H6      NAG 200 -16.087   2.772  -5.362
  293    H81  NAG 102           3H8      NAG 200 -17.841   4.079 -13.545
  294    H82  NAG 102           1H8      NAG 200 -18.856   2.598 -13.576
  295    H83  NAG 102           2H8      NAG 200 -19.620   4.205 -13.331
  296    HN2  NAG 102           H2       NAG 200 -16.597   3.993 -11.623
  297    HO3  NAG 102           H3       NAG 200 -15.910   6.524  -8.950
  298    HO4  NAG 102           H4       NAG 200 -14.889   5.284  -6.217
  299    HO6  NAG 102           HO6      NAG 200 -15.443   0.579  -6.437
  Start of MODEL    9
    1    H1   LYS   1           H        LYS   1   2.291  -2.566  -3.308
    2    HA   LYS   1           HA       LYS   1   2.370  -1.886  -5.548
    3    HB2  LYS   1           1HB      LYS   1   2.004   0.762  -4.232
    4    HB3  LYS   1           2HB      LYS   1   2.759   0.735  -5.820
    5    HG2  LYS   1           1HG      LYS   1   0.857  -0.056  -6.860
    6    HG3  LYS   1           2HG      LYS   1   0.195  -0.726  -5.367
    7    HD2  LYS   1           1HD      LYS   1   0.200   1.814  -4.640
    8    HD3  LYS   1           2HD      LYS   1   0.150   2.071  -6.385
    9    HE2  LYS   1           1HE      LYS   1  -2.094   2.001  -5.839
   10    HE3  LYS   1           2HE      LYS   1  -1.780   0.336  -6.324
   11    HZ1  LYS   1           3HZ      LYS   1  -1.928  -0.414  -4.184
   12    HZ2  LYS   1           1HZ      LYS   1  -3.043   0.858  -4.124
   13    HZ3  LYS   1           2HZ      LYS   1  -1.486   1.068  -3.497
   14    HA   PRO   2           HA       PRO   2   6.742  -1.754  -5.891
   15    HB2  PRO   2           1HB      PRO   2   7.106  -0.662  -8.349
   16    HB3  PRO   2           2HB      PRO   2   6.492  -2.302  -8.108
   17    HG2  PRO   2           1HG      PRO   2   4.986   0.218  -8.696
   18    HG3  PRO   2           2HG      PRO   2   4.763  -1.404  -9.378
   19    HD2  PRO   2           1HD      PRO   2   3.179  -0.419  -7.415
   20    HD3  PRO   2           2HD      PRO   2   3.570  -2.145  -7.550
   21    H    ALA   3           H        ALA   3   8.489  -0.077  -7.003
   22    HA   ALA   3           HA       ALA   3   8.286   2.283  -5.314
   23    HB1  ALA   3           1HB      ALA   3  10.428   0.675  -6.381
   24    HB2  ALA   3           2HB      ALA   3  10.702   2.388  -6.701
   25    HB3  ALA   3           3HB      ALA   3  10.445   1.830  -5.048
   26    H    TRP   4           H        TRP   4   7.003   1.687  -8.138
   27    HA   TRP   4           HA       TRP   4   7.854   4.191  -9.424
   28    HB2  TRP   4           1HB      TRP   4   6.050   2.420 -10.927
   29    HB3  TRP   4           2HB      TRP   4   7.537   3.216 -11.438
   30    HD1  TRP   4           HD1      TRP   4   9.741   1.906  -9.807
   31    HE1  TRP   4           HE1      TRP   4  10.262  -0.609  -9.959
   32    HE3  TRP   4           HE3      TRP   4   5.257   0.258 -11.625
   33    HZ2  TRP   4           HZ2      TRP   4   8.946  -2.979 -10.747
   34    HZ3  TRP   4           HZ3      TRP   4   4.970  -2.149 -12.051
   35    HH2  TRP   4           HH2      TRP   4   6.778  -3.732 -11.621
   36    H    CYS   5           H        CYS   5   4.998   2.352  -8.428
   37    HA   CYS   5           HA       CYS   5   3.257   4.605  -9.031
   38    HB2  CYS   5           1HB      CYS   5   2.450   2.011  -7.723
   39    HB3  CYS   5           2HB      CYS   5   1.434   3.140  -8.613
   40    H    TRP   6           H        TRP   6   1.367   4.473  -7.077
   41    HA   TRP   6           HA       TRP   6   2.563   4.610  -4.463
   42    HB2  TRP   6           1HB      TRP   6   2.830   6.892  -5.931
   43    HB3  TRP   6           2HB      TRP   6   1.290   7.185  -5.126
   44    HD1  TRP   6           HD1      TRP   6   4.981   7.263  -4.540
   45    HE1  TRP   6           HE1      TRP   6   5.466   7.890  -2.091
   46    HE3  TRP   6           HE3      TRP   6   0.261   6.800  -2.633
   47    HZ2  TRP   6           HZ2      TRP   6   4.037   8.152   0.329
   48    HZ3  TRP   6           HZ3      TRP   6  -0.095   7.256  -0.241
   49    HH2  TRP   6           HH2      TRP   6   1.755   7.918   1.207
   50    H    TYR   7           H        TYR   7  -0.220   5.563  -6.454
   51    HA   TYR   7           HA       TYR   7  -2.039   3.991  -4.970
   52    HB2  TYR   7           1HB      TYR   7  -1.452   6.304  -3.637
   53    HB3  TYR   7           2HB      TYR   7  -2.861   6.789  -4.575
   54    HD1  TYR   7           HD2      TYR   7  -1.892   3.677  -2.733
   55    HD2  TYR   7           HD1      TYR   7  -4.780   6.749  -3.306
   56    HE1  TYR   7           HE2      TYR   7  -3.358   2.600  -1.078
   57    HE2  TYR   7           HE1      TYR   7  -6.253   5.681  -1.651
   58    HH   TYR   7           HH       TYR   7  -6.597   3.380  -0.706
   59    H    THR   8           H        THR   8  -4.412   5.270  -5.413
   60    HA   THR   8           HA       THR   8  -4.506   5.300  -8.339
   61    HB   THR   8           HB       THR   8  -6.924   5.290  -6.550
   62    HG1  THR   8           HG1      THR   8  -6.785   2.989  -6.616
   63   HG21  THR   8          3HG2      THR   8  -6.527   5.276  -9.324
   64   HG22  THR   8          1HG2      THR   8  -8.038   4.994  -8.460
   65   HG23  THR   8          2HG2      THR   8  -7.009   3.633  -8.905
   66    H    LEU   9           H        LEU   9  -3.648   7.594  -6.603
   67    HA   LEU   9           HA       LEU   9  -5.681   9.570  -6.649
   68    HB2  LEU   9           1HB      LEU   9  -2.771   9.488  -6.147
   69    HB3  LEU   9           2HB      LEU   9  -3.434  11.044  -6.643
   70    HG   LEU   9           HG       LEU   9  -5.003   9.856  -4.521
   71   HD11  LEU   9          1HD1      LEU   9  -3.493   9.606  -2.824
   72   HD12  LEU   9          2HD1      LEU   9  -2.290  10.643  -3.589
   73   HD13  LEU   9          3HD1      LEU   9  -2.540   9.000  -4.179
   74   HD21  LEU   9          3HD2      LEU   9  -4.502  12.061  -3.478
   75   HD22  LEU   9          1HD2      LEU   9  -5.183  12.173  -5.101
   76   HD23  LEU   9          2HD2      LEU   9  -3.455  12.421  -4.852
   77    H    ALA  10           H        ALA  10  -3.360   8.450  -8.986
   78    HA   ALA  10           HA       ALA  10  -3.071   8.906 -11.198
   79    HB1  ALA  10           1HB      ALA  10  -5.626   8.783 -11.073
   80    HB2  ALA  10           2HB      ALA  10  -5.583  10.544 -11.152
   81    HB3  ALA  10           3HB      ALA  10  -4.908   9.586 -12.470
   82    H    MET  11           H        MET  11  -1.363  10.306  -9.986
   83    HA   MET  11           HA       MET  11  -1.538  13.050  -9.738
   84    HB2  MET  11           1HB      MET  11   0.876  11.477 -10.654
   85    HB3  MET  11           2HB      MET  11   0.898  13.092  -9.959
   86    HG2  MET  11           1HG      MET  11  -0.226  10.752  -8.465
   87    HG3  MET  11           2HG      MET  11   1.494  11.130  -8.447
   88    HE1  MET  11           3HE      MET  11  -0.572  11.668  -5.298
   89    HE2  MET  11           1HE      MET  11  -1.862  12.536  -6.131
   90    HE3  MET  11           2HE      MET  11  -1.293  10.989  -6.759
   91    H    CYS  12           H        CYS  12   0.091  11.465 -12.487
   92    HA   CYS  12           HA       CYS  12   0.187  13.687 -14.139
   93    HB2  CYS  12           1HB      CYS  12   0.684  12.192 -15.933
   94    HB3  CYS  12           2HB      CYS  12   1.377  11.488 -14.476
   95    H    GLY  13           H        GLY  13  -1.032  14.233 -16.049
   96    HA2  GLY  13           1HA      GLY  13  -2.991  14.062 -17.410
   97    HA3  GLY  13           2HA      GLY  13  -3.794  13.226 -16.089
   98    H    ALA  14           H        ALA  14  -2.956  15.111 -14.055
   99    HA   ALA  14           HA       ALA  14  -4.884  17.229 -14.666
  100    HB1  ALA  14           1HB      ALA  14  -4.854  17.637 -12.218
  101    HB2  ALA  14           2HB      ALA  14  -5.351  16.002 -12.655
  102    HB3  ALA  14           3HB      ALA  14  -3.722  16.295 -12.047
  103    H    GLY  15           H        GLY  15  -2.034  17.150 -15.606
  104    HA2  GLY  15           1HA      GLY  15  -0.802  19.118 -16.163
  105    HA3  GLY  15           2HA      GLY  15  -1.332  19.839 -14.651
  106    H    TYR  16           H        TYR  16  -0.643  17.026 -13.484
  107    HA   TYR  16           HA       TYR  16   1.754  17.726 -12.269
  108    HB2  TYR  16           1HB      TYR  16   0.149  15.258 -12.517
  109    HB3  TYR  16           2HB      TYR  16   1.846  15.019 -12.114
  110    HD1  TYR  16           HD2      TYR  16  -1.169  16.934 -11.053
  111    HD2  TYR  16           HD1      TYR  16   2.554  15.226  -9.905
  112    HE1  TYR  16           HE2      TYR  16  -1.660  17.460  -8.701
  113    HE2  TYR  16           HE1      TYR  16   2.073  15.746  -7.549
  114    HH   TYR  16           HH       TYR  16   0.342  17.746  -6.424
  115    H    ASP  17           H        ASP  17   1.156  16.178 -15.327
  116    HA   ASP  17           HA       ASP  17   4.063  16.057 -15.784
  117    HB2  ASP  17           1HB      ASP  17   1.961  14.118 -16.768
  118    HB3  ASP  17           2HB      ASP  17   3.646  14.111 -17.280
  119    H    SER  18           H        SER  18   4.234  15.597 -18.396
  120    HA   SER  18           HA       SER  18   3.254  18.069 -19.537
  121    HB2  SER  18           1HB      SER  18   5.198  15.955 -20.414
  122    HB3  SER  18           2HB      SER  18   4.582  17.125 -21.580
  123    H    GLY  19           H        GLY  19   1.000  17.290 -19.319
  124    HA2  GLY  19           1HA      GLY  19  -0.133  15.227 -18.906
  125    HA3  GLY  19           2HA      GLY  19  -0.589  15.681 -20.541
  126    H    THR  20           H        THR  20   1.746  13.784 -18.677
  127    HA   THR  20           HA       THR  20   1.624  11.692 -20.685
  128    HB   THR  20           HB       THR  20   3.498  13.224 -21.394
  129    HG1  THR  20           HG1      THR  20   4.455  11.477 -22.144
  130   HG21  THR  20          3HG2      THR  20   4.288  13.825 -19.144
  131   HG22  THR  20          1HG2      THR  20   5.582  13.144 -20.128
  132   HG23  THR  20          2HG2      THR  20   4.807  12.159 -18.888
  133    H    CYS  21           H        CYS  21   1.919   9.688 -19.839
  134    HA   CYS  21           HA       CYS  21   2.829   9.519 -17.043
  135    HB2  CYS  21           1HB      CYS  21   0.668   7.776 -18.226
  136    HB3  CYS  21           2HB      CYS  21   1.126   7.929 -16.533
  137    H    ASP  22           H        ASP  22   2.962   6.914 -16.601
  138    HA   ASP  22           HA       ASP  22   4.189   5.506 -18.805
  139    HB2  ASP  22           1HB      ASP  22   5.792   6.961 -16.867
  140    HB3  ASP  22           2HB      ASP  22   6.167   5.240 -16.858
  141    H    TYR  23           H        TYR  23   4.659   5.249 -15.293
  142    HA   TYR  23           HA       TYR  23   4.171   2.473 -15.242
  143    HB2  TYR  23           1HB      TYR  23   3.904   4.329 -12.878
  144    HB3  TYR  23           2HB      TYR  23   4.357   2.628 -12.871
  145    HD1  TYR  23           HD2      TYR  23   6.468   2.302 -14.701
  146    HD2  TYR  23           HD1      TYR  23   5.654   5.682 -12.249
  147    HE1  TYR  23           HE2      TYR  23   8.844   2.932 -14.791
  148    HE2  TYR  23           HE1      TYR  23   8.027   6.322 -12.332
  149    HH   TYR  23           HH       TYR  23  10.005   5.931 -13.328
  150    H    MET  24           H        MET  24   2.074   5.218 -15.078
  151    HA   MET  24           HA       MET  24  -0.135   4.057 -13.779
  152    HB2  MET  24           1HB      MET  24   0.101   6.309 -15.768
  153    HB3  MET  24           2HB      MET  24  -1.442   5.832 -15.072
  154    HG2  MET  24           1HG      MET  24  -0.874   7.484 -13.629
  155    HG3  MET  24           2HG      MET  24  -0.120   6.116 -12.813
  156    HE1  MET  24           3HE      MET  24   3.497   6.454 -13.122
  157    HE2  MET  24           1HE      MET  24   2.508   6.910 -11.735
  158    HE3  MET  24           2HE      MET  24   2.060   5.514 -12.716
  159    H    TYR  25           H        TYR  25   0.766   4.214 -17.202
  160    HA   TYR  25           HA       TYR  25  -1.571   2.954 -18.182
  161    HB2  TYR  25           1HB      TYR  25   1.167   3.450 -19.310
  162    HB3  TYR  25           2HB      TYR  25   0.006   2.463 -20.190
  163    HD1  TYR  25           HD1      TYR  25  -0.174   5.680 -18.283
  164    HD2  TYR  25           HD2      TYR  25  -0.999   3.613 -21.909
  165    HE1  TYR  25           HE1      TYR  25  -1.198   7.718 -19.204
  166    HE2  TYR  25           HE2      TYR  25  -2.025   5.645 -22.841
  167    HH   TYR  25           HH       TYR  25  -3.013   8.183 -21.070
  168    H    SER  26           H        SER  26   0.969   1.752 -16.365
  169    HA   SER  26           HA       SER  26   0.967  -0.913 -17.505
  170    HB2  SER  26           1HB      SER  26   3.003   0.227 -16.469
  171    HB3  SER  26           2HB      SER  26   2.248  -0.071 -14.904
  172    HG   SER  26           HG       SER  26   2.867  -2.068 -15.032
  173    H    HIS  27           H        HIS  27  -1.514   0.230 -16.390
  174    HA   HIS  27           HA       HIS  27  -3.291  -0.389 -15.109
  175    HB2  HIS  27           1HB      HIS  27  -2.535  -2.594 -16.344
  176    HB3  HIS  27           2HB      HIS  27  -2.106  -3.106 -14.715
  177    HD1  HIS  27           HD1      HIS  27  -3.915  -4.348 -13.598
  178    HD2  HIS  27           HD2      HIS  27  -5.406  -1.578 -16.312
  179    HE1  HIS  27           HE1      HIS  27  -6.415  -4.620 -13.533
  180    H    CYS  28           H        CYS  28  -1.575   1.022 -13.648
  181    HA   CYS  28           HA       CYS  28  -1.363  -0.442 -11.098
  182    HB2  CYS  28           1HB      CYS  28   0.717   0.652 -12.410
  183    HB3  CYS  28           2HB      CYS  28   0.198   2.053 -11.478
  184    H    PHE  29           H        PHE  29  -2.820   2.144 -12.757
  185    HA   PHE  29           HA       PHE  29  -3.776   3.285 -10.214
  186    HB2  PHE  29           1HB      PHE  29  -3.156   4.592 -12.850
  187    HB3  PHE  29           2HB      PHE  29  -4.270   5.342 -11.711
  188    HD1  PHE  29           HD2      PHE  29  -0.959   3.631 -11.456
  189    HD2  PHE  29           HD1      PHE  29  -3.322   7.046 -10.522
  190    HE1  PHE  29           HE2      PHE  29   0.945   4.613 -10.247
  191    HE2  PHE  29           HE1      PHE  29  -1.421   8.034  -9.312
  192    HZ   PHE  29           HZ       PHE  29   0.716   6.817  -9.172
  193    H    GLY  30           H        GLY  30  -4.609   1.894 -13.263
  194    HA2  GLY  30           1HA      GLY  30  -6.652   0.936 -13.843
  195    HA3  GLY  30           2HA      GLY  30  -7.378   1.691 -12.432
  196    H    VAL  31           H        VAL  31  -5.512   3.551 -14.710
  197    HA   VAL  31           HA       VAL  31  -7.960   4.988 -15.456
  198    HB   VAL  31           HB       VAL  31  -6.486   6.812 -16.168
  199   HG11  VAL  31          1HG1      VAL  31  -5.823   7.554 -14.003
  200   HG12  VAL  31          2HG1      VAL  31  -7.287   6.591 -13.802
  201   HG13  VAL  31          3HG1      VAL  31  -5.714   5.900 -13.403
  202   HG21  VAL  31          3HG2      VAL  31  -4.441   6.177 -16.841
  203   HG22  VAL  31          1HG2      VAL  31  -4.013   6.318 -15.136
  204   HG23  VAL  31          2HG2      VAL  31  -4.439   4.746 -15.811
  205    H    LYS  32           H        LYS  32  -5.221   3.250 -16.785
  206    HA   LYS  32           HA       LYS  32  -5.616   3.917 -19.499
  207    HB2  LYS  32           1HB      LYS  32  -3.593   2.780 -18.357
  208    HB3  LYS  32           2HB      LYS  32  -4.490   1.284 -18.581
  209    HG2  LYS  32           1HG      LYS  32  -4.272   2.954 -20.982
  210    HG3  LYS  32           2HG      LYS  32  -2.742   2.319 -20.370
  211    HD2  LYS  32           1HD      LYS  32  -5.189   0.635 -20.894
  212    HD3  LYS  32           2HD      LYS  32  -3.867   0.849 -22.044
  213    HE2  LYS  32           1HE      LYS  32  -2.861   0.114 -19.445
  214    HE3  LYS  32           2HE      LYS  32  -4.056  -1.055 -20.005
  215    HZ1  LYS  32           3HZ      LYS  32  -1.495  -0.293 -21.257
  216    HZ2  LYS  32           1HZ      LYS  32  -2.731  -0.991 -22.177
  217    HZ3  LYS  32           2HZ      LYS  32  -2.070  -1.836 -20.870
  218    H    HIS  33           H        HIS  33  -6.549   2.690 -21.191
  219    HA   HIS  33           HA       HIS  33  -8.704   0.893 -20.292
  220    HB2  HIS  33           1HB      HIS  33  -8.610   3.064 -22.310
  221    HB3  HIS  33           2HB      HIS  33  -9.542   1.634 -22.744
  222    HD1  HIS  33           HD1      HIS  33 -11.525   1.006 -21.051
  223    HD2  HIS  33           HD2      HIS  33  -9.871   4.791 -20.607
  224    HE1  HIS  33           HE1      HIS  33 -13.186   2.309 -19.684
  225    H    SER  34           H        SER  34  -8.889  -1.094 -21.182
  226    HA   SER  34           HA       SER  34  -6.723  -2.357 -22.346
  227    HB2  SER  34           1HB      SER  34  -8.992  -3.272 -21.311
  228    HB3  SER  34           2HB      SER  34  -9.455  -3.362 -23.010
  229    HG   SER  34           HG       SER  34  -8.206  -5.189 -21.812
  230    H    SER  35           H        SER  35  -6.141  -2.924 -24.422
  231    HA   SER  35           HA       SER  35  -6.532  -1.095 -26.461
  232    HB2  SER  35           1HB      SER  35  -5.523  -2.752 -27.954
  233    HB3  SER  35           2HB      SER  35  -4.681  -2.732 -26.405
  234    HG   SER  35           HG       SER  35  -5.030  -4.844 -26.795
  235    H    GLY  36           H        GLY  36  -7.457  -1.629 -28.674
  236    HA2  GLY  36           1HA      GLY  36  -9.147  -2.798 -29.941
  237    HA3  GLY  36           2HA      GLY  36  -9.987  -3.122 -28.432
  238    H    GLY  37           H        GLY  37  -9.357  -0.774 -30.930
  239    HA2  GLY  37           1HA      GLY  37 -11.754   0.680 -30.087
  240    HA3  GLY  37           2HA      GLY  37 -10.258   1.593 -30.221
  241    H    GLY  38           H        GLY  38 -12.952   1.430 -31.742
  242    HA2  GLY  38           1HA      GLY  38 -11.827   1.075 -34.443
  243    HA3  GLY  38           2HA      GLY  38 -13.535   0.977 -34.043
  244    H    GLY  39           H        GLY  39 -11.321   3.470 -32.905
  245    HA2  GLY  39           1HA      GLY  39 -13.062   5.481 -34.114
  246    HA3  GLY  39           2HA      GLY  39 -11.819   5.772 -32.906
  247    H    SER  40           H        SER  40 -11.766   7.560 -34.774
  248    HA   SER  40           HA       SER  40  -9.905   6.693 -36.869
  249    HB2  SER  40           1HB      SER  40 -12.063   8.099 -37.295
  250    HB3  SER  40           2HB      SER  40 -11.090   9.449 -36.711
  251    HG   SER  40           HG       SER  40 -10.408   9.513 -38.698
  252    H    TYR  41           H        TYR  41  -7.945   7.783 -37.236
  253    HA   TYR  41           HA       TYR  41  -6.856   9.064 -34.831
  254    HB2  TYR  41           1HB      TYR  41  -5.833   6.970 -36.075
  255    HB3  TYR  41           2HB      TYR  41  -5.134   8.203 -37.118
  256    HD1  TYR  41           HD2      TYR  41  -3.442   9.733 -36.277
  257    HD2  TYR  41           HD1      TYR  41  -5.133   6.750 -33.758
  258    HE1  TYR  41           HE2      TYR  41  -1.628  10.084 -34.654
  259    HE2  TYR  41           HE1      TYR  41  -3.324   7.093 -32.127
  260    HH   TYR  41           HH       TYR  41  -1.617   8.450 -31.529
  261    H    HIS  42           H        HIS  42  -5.318  10.841 -35.128
  262    HA   HIS  42           HA       HIS  42  -6.291  12.690 -37.170
  263    HB2  HIS  42           1HB      HIS  42  -4.734  13.052 -34.618
  264    HB3  HIS  42           2HB      HIS  42  -4.882  14.349 -35.800
  265    HD1  HIS  42           HD1      HIS  42  -6.296  13.506 -32.768
  266    HD2  HIS  42           HD2      HIS  42  -7.959  14.463 -36.454
  267    HE1  HIS  42           HE1      HIS  42  -8.643  14.261 -32.272
  268    H    CYS  43           H        CYS  43  -4.646  10.602 -38.091
  269    HA   CYS  43           HA       CYS  43  -1.938  11.111 -38.293
  270    HB2  CYS  43           1HB      CYS  43  -3.849   9.890 -40.286
  271    HB3  CYS  43           2HB      CYS  43  -2.105   9.918 -40.525
  272    H1   NAG 101           H1       NAG 100   5.457  19.562 -21.150
  273    H2   NAG 101           HC2      NAG 100   7.565  19.572 -18.919
  274    H3   NAG 101           HC3      NAG 100   6.398  21.864 -20.603
  275    H4   NAG 101           HC4      NAG 100   9.178  20.551 -20.725
  276    H5   NAG 101           H5       NAG 100   6.776  20.360 -22.629
  277    H61  NAG 101           1H6      NAG 100   8.990  20.509 -23.801
  278    H62  NAG 101           2H6      NAG 100   9.619  19.196 -22.796
  279    H81  NAG 101           3H8      NAG 100   4.471  20.883 -16.081
  280    H82  NAG 101           1H8      NAG 100   3.354  19.923 -17.108
  281    H83  NAG 101           2H8      NAG 100   4.242  19.129 -15.764
  282    HN2  NAG 101           H2       NAG 100   5.043  21.126 -18.761
  283    HO3  NAG 101           H3       NAG 100   8.165  23.020 -19.595
  284    HO4  NAG 101           H4       NAG 100   9.598  22.057 -22.253
  285    HO6  NAG 101           HO6      NAG 100   7.558  18.007 -23.642
  286    H1   NAG 102           H1       NAG 200  -1.466   7.002 -39.571
  287    H2   NAG 102           HC2      NAG 200  -0.166   6.014 -36.972
  288    H3   NAG 102           HC3      NAG 200  -0.075   4.885 -39.830
  289    H4   NAG 102           HC4      NAG 200  -1.553   3.832 -37.346
  290    H5   NAG 102           H5       NAG 200  -2.603   5.220 -39.877
  291    H61  NAG 102           1H6      NAG 200  -4.049   3.327 -39.083
  292    H62  NAG 102           2H6      NAG 200  -4.059   4.010 -37.450
  293    H81  NAG 102           3H8      NAG 200   3.552   7.866 -38.425
  294    H82  NAG 102           1H8      NAG 200   2.508   9.245 -38.907
  295    H83  NAG 102           2H8      NAG 200   3.158   9.153 -37.235
  296    HN2  NAG 102           H2       NAG 200   1.400   6.730 -39.387
  297    HO3  NAG 102           H3       NAG 200   0.898   3.083 -38.698
  298    HO4  NAG 102           H4       NAG 200  -2.139   2.177 -38.647
  299    HO6  NAG 102           HO6      NAG 200  -4.841   6.074 -38.677
  Start of MODEL   10
    1    H1   LYS   1           H        LYS   1   1.491  -2.066  -3.374
    2    HA   LYS   1           HA       LYS   1   2.380  -1.850  -5.512
    3    HB2  LYS   1           1HB      LYS   1   2.005   0.829  -4.250
    4    HB3  LYS   1           2HB      LYS   1   2.726   0.757  -5.853
    5    HG2  LYS   1           1HG      LYS   1   0.801   0.082  -6.844
    6    HG3  LYS   1           2HG      LYS   1   0.239  -0.789  -5.415
    7    HD2  LYS   1           1HD      LYS   1  -0.011   1.552  -4.361
    8    HD3  LYS   1           2HD      LYS   1   0.085   2.145  -6.020
    9    HE2  LYS   1           1HE      LYS   1  -1.814  -0.061  -5.365
   10    HE3  LYS   1           2HE      LYS   1  -2.232   1.593  -4.920
   11    HZ1  LYS   1           3HZ      LYS   1  -1.544   2.027  -7.400
   12    HZ2  LYS   1           1HZ      LYS   1  -3.103   1.500  -7.004
   13    HZ3  LYS   1           2HZ      LYS   1  -1.957   0.396  -7.576
   14    HA   PRO   2           HA       PRO   2   6.752  -1.678  -5.828
   15    HB2  PRO   2           1HB      PRO   2   7.120  -0.635  -8.308
   16    HB3  PRO   2           2HB      PRO   2   6.522  -2.276  -8.035
   17    HG2  PRO   2           1HG      PRO   2   4.992   0.213  -8.686
   18    HG3  PRO   2           2HG      PRO   2   4.791  -1.425  -9.334
   19    HD2  PRO   2           1HD      PRO   2   3.184  -0.416  -7.402
   20    HD3  PRO   2           2HD      PRO   2   3.595  -2.141  -7.498
   21    H    ALA   3           H        ALA   3   8.490  -0.008  -6.958
   22    HA   ALA   3           HA       ALA   3   8.244   2.389  -5.328
   23    HB1  ALA   3           1HB      ALA   3  10.586   1.482  -6.994
   24    HB2  ALA   3           2HB      ALA   3  10.588   2.718  -5.736
   25    HB3  ALA   3           3HB      ALA   3  10.321   1.027  -5.311
   26    H    TRP   4           H        TRP   4   6.991   1.720  -8.142
   27    HA   TRP   4           HA       TRP   4   7.861   4.170  -9.509
   28    HB2  TRP   4           1HB      TRP   4   5.996   2.355 -10.900
   29    HB3  TRP   4           2HB      TRP   4   7.450   3.153 -11.493
   30    HD1  TRP   4           HD1      TRP   4   9.706   1.919  -9.824
   31    HE1  TRP   4           HE1      TRP   4  10.268  -0.590  -9.944
   32    HE3  TRP   4           HE3      TRP   4   5.245   0.173 -11.608
   33    HZ2  TRP   4           HZ2      TRP   4   8.989  -2.992 -10.697
   34    HZ3  TRP   4           HZ3      TRP   4   4.996  -2.243 -12.002
   35    HH2  TRP   4           HH2      TRP   4   6.831  -3.791 -11.556
   36    H    CYS   5           H        CYS   5   4.952   2.416  -8.487
   37    HA   CYS   5           HA       CYS   5   3.293   4.739  -9.075
   38    HB2  CYS   5           1HB      CYS   5   2.367   2.152  -7.837
   39    HB3  CYS   5           2HB      CYS   5   1.417   3.331  -8.736
   40    H    TRP   6           H        TRP   6   1.373   4.624  -7.150
   41    HA   TRP   6           HA       TRP   6   2.572   4.687  -4.524
   42    HB2  TRP   6           1HB      TRP   6   2.770   7.007  -5.977
   43    HB3  TRP   6           2HB      TRP   6   1.270   7.259  -5.088
   44    HD1  TRP   6           HD1      TRP   6   4.992   7.334  -4.680
   45    HE1  TRP   6           HE1      TRP   6   5.591   7.913  -2.245
   46    HE3  TRP   6           HE3      TRP   6   0.363   6.839  -2.567
   47    HZ2  TRP   6           HZ2      TRP   6   4.275   8.130   0.243
   48    HZ3  TRP   6           HZ3      TRP   6   0.119   7.249  -0.153
   49    HH2  TRP   6           HH2      TRP   6   2.036   7.881   1.221
   50    H    TYR   7           H        TYR   7  -0.227   5.647  -6.489
   51    HA   TYR   7           HA       TYR   7  -2.024   4.034  -5.016
   52    HB2  TYR   7           1HB      TYR   7  -1.463   6.360  -3.680
   53    HB3  TYR   7           2HB      TYR   7  -2.893   6.811  -4.601
   54    HD1  TYR   7           HD2      TYR   7  -1.749   3.839  -2.631
   55    HD2  TYR   7           HD1      TYR   7  -4.874   6.606  -3.454
   56    HE1  TYR   7           HE2      TYR   7  -3.169   2.724  -0.960
   57    HE2  TYR   7           HE1      TYR   7  -6.302   5.500  -1.785
   58    HH   TYR   7           HH       TYR   7  -6.539   3.628  -0.515
   59    H    THR   8           H        THR   8  -4.409   5.324  -5.442
   60    HA   THR   8           HA       THR   8  -4.510   5.360  -8.369
   61    HB   THR   8           HB       THR   8  -6.926   5.309  -6.580
   62    HG1  THR   8           HG1      THR   8  -6.206   3.445  -5.872
   63   HG21  THR   8          3HG2      THR   8  -6.469   5.229  -9.378
   64   HG22  THR   8          1HG2      THR   8  -8.003   5.109  -8.518
   65   HG23  THR   8          2HG2      THR   8  -7.084   3.650  -8.891
   66    H    LEU   9           H        LEU   9  -3.659   7.652  -6.651
   67    HA   LEU   9           HA       LEU   9  -5.722   9.605  -6.668
   68    HB2  LEU   9           1HB      LEU   9  -2.821   9.539  -6.143
   69    HB3  LEU   9           2HB      LEU   9  -3.471  11.091  -6.666
   70    HG   LEU   9           HG       LEU   9  -5.173  10.785  -4.759
   71   HD11  LEU   9          1HD1      LEU   9  -4.593   8.392  -4.389
   72   HD12  LEU   9          2HD1      LEU   9  -4.513   9.387  -2.936
   73   HD13  LEU   9          3HD1      LEU   9  -3.029   8.918  -3.764
   74   HD21  LEU   9          3HD2      LEU   9  -3.366  12.444  -4.774
   75   HD22  LEU   9          1HD2      LEU   9  -2.260  11.238  -4.115
   76   HD23  LEU   9          2HD2      LEU   9  -3.638  11.785  -3.159
   77    H    ALA  10           H        ALA  10  -3.430   8.495  -9.026
   78    HA   ALA  10           HA       ALA  10  -3.170   8.955 -11.241
   79    HB1  ALA  10           1HB      ALA  10  -5.010   9.608 -12.472
   80    HB2  ALA  10           2HB      ALA  10  -5.760   8.971 -11.008
   81    HB3  ALA  10           3HB      ALA  10  -5.586  10.712 -11.224
   82    H    MET  11           H        MET  11  -1.414  10.296 -10.010
   83    HA   MET  11           HA       MET  11  -1.502  13.042  -9.751
   84    HB2  MET  11           1HB      MET  11   0.861  11.404 -10.688
   85    HB3  MET  11           2HB      MET  11   0.933  13.012  -9.980
   86    HG2  MET  11           1HG      MET  11  -0.301  10.744  -8.475
   87    HG3  MET  11           2HG      MET  11   1.448  10.956  -8.513
   88    HE1  MET  11           3HE      MET  11  -0.549  11.617  -5.369
   89    HE2  MET  11           1HE      MET  11  -1.679  12.768  -6.084
   90    HE3  MET  11           2HE      MET  11  -1.424  11.196  -6.842
   91    H    CYS  12           H        CYS  12   0.105  11.447 -12.505
   92    HA   CYS  12           HA       CYS  12   0.207  13.690 -14.142
   93    HB2  CYS  12           1HB      CYS  12   0.731  12.202 -15.943
   94    HB3  CYS  12           2HB      CYS  12   1.441  11.524 -14.482
   95    H    GLY  13           H        GLY  13  -1.007  14.272 -16.025
   96    HA2  GLY  13           1HA      GLY  13  -2.927  14.196 -17.410
   97    HA3  GLY  13           2HA      GLY  13  -3.707  13.153 -16.229
   98    H    ALA  14           H        ALA  14  -2.759  15.068 -14.071
   99    HA   ALA  14           HA       ALA  14  -4.937  17.013 -14.435
  100    HB1  ALA  14           1HB      ALA  14  -3.684  15.985 -11.891
  101    HB2  ALA  14           2HB      ALA  14  -4.990  17.166 -11.986
  102    HB3  ALA  14           3HB      ALA  14  -5.252  15.515 -12.548
  103    H    GLY  15           H        GLY  15  -2.090  17.220 -15.370
  104    HA2  GLY  15           1HA      GLY  15  -0.935  19.254 -15.738
  105    HA3  GLY  15           2HA      GLY  15  -1.607  19.878 -14.239
  106    H    TYR  16           H        TYR  16  -0.443  16.729 -13.897
  107    HA   TYR  16           HA       TYR  16   1.794  17.696 -12.318
  108    HB2  TYR  16           1HB      TYR  16   0.228  15.196 -12.496
  109    HB3  TYR  16           2HB      TYR  16   1.930  14.997 -12.092
  110    HD1  TYR  16           HD2      TYR  16  -0.848  17.314 -11.122
  111    HD2  TYR  16           HD1      TYR  16   2.373  14.846  -9.842
  112    HE1  TYR  16           HE2      TYR  16  -1.341  17.893  -8.783
  113    HE2  TYR  16           HE1      TYR  16   1.888  15.417  -7.500
  114    HH   TYR  16           HH       TYR  16  -0.941  16.785  -6.490
  115    H    ASP  17           H        ASP  17   1.203  16.157 -15.363
  116    HA   ASP  17           HA       ASP  17   4.110  16.006 -15.813
  117    HB2  ASP  17           1HB      ASP  17   1.998  14.082 -16.809
  118    HB3  ASP  17           2HB      ASP  17   3.687  14.063 -17.308
  119    H    SER  18           H        SER  18   4.279  15.547 -18.426
  120    HA   SER  18           HA       SER  18   3.311  18.025 -19.565
  121    HB2  SER  18           1HB      SER  18   5.211  15.888 -20.512
  122    HB3  SER  18           2HB      SER  18   4.662  17.173 -21.588
  123    H    GLY  19           H        GLY  19   1.055  17.242 -19.353
  124    HA2  GLY  19           1HA      GLY  19  -0.078  15.179 -18.948
  125    HA3  GLY  19           2HA      GLY  19  -0.528  15.634 -20.585
  126    H    THR  20           H        THR  20   1.794  13.734 -18.710
  127    HA   THR  20           HA       THR  20   1.685  11.643 -20.719
  128    HB   THR  20           HB       THR  20   3.559  13.182 -21.422
  129    HG1  THR  20           HG1      THR  20   5.014  11.383 -21.711
  130   HG21  THR  20          3HG2      THR  20   5.640  13.100 -20.155
  131   HG22  THR  20          1HG2      THR  20   4.868  12.105 -18.921
  132   HG23  THR  20          2HG2      THR  20   4.344  13.771 -19.165
  133    H    CYS  21           H        CYS  21   1.990   9.639 -19.875
  134    HA   CYS  21           HA       CYS  21   2.912   9.468 -17.084
  135    HB2  CYS  21           1HB      CYS  21   0.711   7.753 -18.233
  136    HB3  CYS  21           2HB      CYS  21   1.194   7.904 -16.547
  137    H    ASP  22           H        ASP  22   3.010   6.860 -16.638
  138    HA   ASP  22           HA       ASP  22   4.191   5.432 -18.855
  139    HB2  ASP  22           1HB      ASP  22   5.837   6.868 -16.943
  140    HB3  ASP  22           2HB      ASP  22   6.182   5.140 -16.919
  141    H    TYR  23           H        TYR  23   4.688   5.172 -15.346
  142    HA   TYR  23           HA       TYR  23   4.162   2.404 -15.287
  143    HB2  TYR  23           1HB      TYR  23   3.924   4.253 -12.917
  144    HB3  TYR  23           2HB      TYR  23   4.384   2.554 -12.925
  145    HD1  TYR  23           HD2      TYR  23   6.496   2.201 -14.703
  146    HD2  TYR  23           HD1      TYR  23   5.657   5.659 -12.370
  147    HE1  TYR  23           HE2      TYR  23   8.868   2.840 -14.808
  148    HE2  TYR  23           HE1      TYR  23   8.027   6.309 -12.470
  149    HH   TYR  23           HH       TYR  23  10.456   4.274 -13.327
  150    H    MET  24           H        MET  24   2.103   5.176 -15.113
  151    HA   MET  24           HA       MET  24  -0.112   4.044 -13.799
  152    HB2  MET  24           1HB      MET  24   0.141   6.294 -15.787
  153    HB3  MET  24           2HB      MET  24  -1.404   5.837 -15.082
  154    HG2  MET  24           1HG      MET  24  -0.801   7.485 -13.646
  155    HG3  MET  24           2HG      MET  24  -0.072   6.103 -12.830
  156    HE1  MET  24           3HE      MET  24   2.565   6.856 -11.752
  157    HE2  MET  24           1HE      MET  24   2.097   5.464 -12.729
  158    HE3  MET  24           2HE      MET  24   3.549   6.379 -13.136
  159    H    TYR  25           H        TYR  25   0.763   4.198 -17.229
  160    HA   TYR  25           HA       TYR  25  -1.597   2.965 -18.191
  161    HB2  TYR  25           1HB      TYR  25   1.138   3.431 -19.342
  162    HB3  TYR  25           2HB      TYR  25  -0.045   2.461 -20.214
  163    HD1  TYR  25           HD1      TYR  25  -0.140   5.683 -18.308
  164    HD2  TYR  25           HD2      TYR  25  -1.072   3.621 -21.912
  165    HE1  TYR  25           HE1      TYR  25  -1.147   7.735 -19.215
  166    HE2  TYR  25           HE2      TYR  25  -2.080   5.669 -22.829
  167    HH   TYR  25           HH       TYR  25  -1.936   8.103 -22.490
  168    H    SER  26           H        SER  26   0.962   1.732 -16.412
  169    HA   SER  26           HA       SER  26   0.902  -0.934 -17.551
  170    HB2  SER  26           1HB      SER  26   2.959   0.228 -16.519
  171    HB3  SER  26           2HB      SER  26   2.236  -0.169 -14.960
  172    HG   SER  26           HG       SER  26   2.473  -2.298 -15.377
  173    H    HIS  27           H        HIS  27  -1.556   0.196 -16.432
  174    HA   HIS  27           HA       HIS  27  -3.316  -0.398 -15.115
  175    HB2  HIS  27           1HB      HIS  27  -1.844  -2.970 -15.527
  176    HB3  HIS  27           2HB      HIS  27  -3.207  -2.936 -14.414
  177    HD1  HIS  27           HD1      HIS  27  -5.475  -1.824 -15.597
  178    HD2  HIS  27           HD2      HIS  27  -2.585  -3.498 -18.068
  179    HE1  HIS  27           HE1      HIS  27  -6.638  -2.278 -17.780
  180    H    CYS  28           H        CYS  28  -1.625   1.049 -13.686
  181    HA   CYS  28           HA       CYS  28  -1.356  -0.380 -11.122
  182    HB2  CYS  28           1HB      CYS  28   0.691   0.729 -12.472
  183    HB3  CYS  28           2HB      CYS  28   0.160   2.134 -11.553
  184    H    PHE  29           H        PHE  29  -2.846   2.187 -12.798
  185    HA   PHE  29           HA       PHE  29  -3.815   3.322 -10.257
  186    HB2  PHE  29           1HB      PHE  29  -3.189   4.630 -12.889
  187    HB3  PHE  29           2HB      PHE  29  -4.327   5.370 -11.768
  188    HD1  PHE  29           HD2      PHE  29  -1.003   3.696 -11.452
  189    HD2  PHE  29           HD1      PHE  29  -3.411   7.096 -10.582
  190    HE1  PHE  29           HE2      PHE  29   0.873   4.705 -10.222
  191    HE2  PHE  29           HE1      PHE  29  -1.539   8.111  -9.351
  192    HZ   PHE  29           HZ       PHE  29   0.607   6.916  -9.170
  193    H    GLY  30           H        GLY  30  -4.634   1.969 -13.338
  194    HA2  GLY  30           1HA      GLY  30  -6.667   0.983 -13.918
  195    HA3  GLY  30           2HA      GLY  30  -7.401   1.722 -12.502
  196    H    VAL  31           H        VAL  31  -5.555   3.526 -14.868
  197    HA   VAL  31           HA       VAL  31  -7.994   5.018 -15.533
  198    HB   VAL  31           HB       VAL  31  -6.501   6.789 -16.343
  199   HG11  VAL  31          1HG1      VAL  31  -5.207   6.545 -13.805
  200   HG12  VAL  31          2HG1      VAL  31  -6.545   7.596 -14.276
  201   HG13  VAL  31          3HG1      VAL  31  -6.868   5.970 -13.673
  202   HG21  VAL  31          3HG2      VAL  31  -4.005   6.225 -15.370
  203   HG22  VAL  31          1HG2      VAL  31  -4.507   4.674 -16.044
  204   HG23  VAL  31          2HG2      VAL  31  -4.489   6.114 -17.063
  205    H    LYS  32           H        LYS  32  -5.373   3.167 -16.937
  206    HA   LYS  32           HA       LYS  32  -5.606   3.780 -19.615
  207    HB2  LYS  32           1HB      LYS  32  -3.849   2.335 -18.922
  208    HB3  LYS  32           2HB      LYS  32  -4.977   1.172 -18.240
  209    HG2  LYS  32           1HG      LYS  32  -5.564   0.328 -20.308
  210    HG3  LYS  32           2HG      LYS  32  -5.041   1.781 -21.163
  211    HD2  LYS  32           1HD      LYS  32  -3.058   0.092 -19.685
  212    HD3  LYS  32           2HD      LYS  32  -3.593  -0.367 -21.304
  213    HE2  LYS  32           1HE      LYS  32  -3.029   2.165 -21.814
  214    HE3  LYS  32           2HE      LYS  32  -1.969   1.964 -20.419
  215    HZ1  LYS  32           3HZ      LYS  32  -1.758  -0.204 -22.273
  216    HZ2  LYS  32           1HZ      LYS  32  -0.543   0.771 -21.612
  217    HZ3  LYS  32           2HZ      LYS  32  -1.381   1.281 -22.990
  218    H    HIS  33           H        HIS  33  -6.896   3.137 -21.298
  219    HA   HIS  33           HA       HIS  33  -9.399   1.789 -20.538
  220    HB2  HIS  33           1HB      HIS  33 -10.275   2.868 -22.675
  221    HB3  HIS  33           2HB      HIS  33  -9.910   3.958 -21.341
  222    HD1  HIS  33           HD1      HIS  33  -7.851   5.520 -21.616
  223    HD2  HIS  33           HD2      HIS  33  -8.693   3.183 -24.947
  224    HE1  HIS  33           HE1      HIS  33  -6.502   6.512 -23.492
  225    H    SER  34           H        SER  34  -6.644   1.669 -22.633
  226    HA   SER  34           HA       SER  34  -7.522   0.031 -24.684
  227    HB2  SER  34           1HB      SER  34  -5.219   1.117 -24.364
  228    HB3  SER  34           2HB      SER  34  -4.814  -0.299 -23.395
  229    HG   SER  34           HG       SER  34  -4.264  -0.433 -25.678
  230    H    SER  35           H        SER  35  -7.062  -2.290 -25.022
  231    HA   SER  35           HA       SER  35  -8.077  -3.815 -22.778
  232    HB2  SER  35           1HB      SER  35  -8.710  -4.022 -25.322
  233    HB3  SER  35           2HB      SER  35  -7.291  -5.066 -25.385
  234    HG   SER  35           HG       SER  35  -9.757  -5.572 -24.383
  235    H    GLY  36           H        GLY  36  -7.099  -5.941 -22.235
  236    HA2  GLY  36           1HA      GLY  36  -4.260  -6.235 -22.762
  237    HA3  GLY  36           2HA      GLY  36  -4.669  -5.833 -21.101
  238    H    GLY  37           H        GLY  37  -4.887  -7.503 -19.774
  239    HA2  GLY  37           1HA      GLY  37  -6.304  -9.592 -19.499
  240    HA3  GLY  37           2HA      GLY  37  -5.498 -10.134 -20.964
  241    H    GLY  38           H        GLY  38  -5.444 -11.572 -18.558
  242    HA2  GLY  38           1HA      GLY  38  -2.997 -12.552 -18.277
  243    HA3  GLY  38           2HA      GLY  38  -2.831 -11.061 -17.362
  244    H    GLY  39           H        GLY  39  -2.355 -12.425 -15.527
  245    HA2  GLY  39           1HA      GLY  39  -4.831 -13.435 -14.276
  246    HA3  GLY  39           2HA      GLY  39  -3.333 -14.350 -14.191
  247    H    SER  40           H        SER  40  -3.776 -14.184 -11.849
  248    HA   SER  40           HA       SER  40  -2.729 -11.646 -10.776
  249    HB2  SER  40           1HB      SER  40  -4.156 -11.814  -8.882
  250    HB3  SER  40           2HB      SER  40  -5.182 -12.141 -10.278
  251    HG   SER  40           HG       SER  40  -5.292 -13.621  -8.372
  252    H    TYR  41           H        TYR  41  -1.554 -11.845  -8.737
  253    HA   TYR  41           HA       TYR  41  -0.264 -14.479  -8.443
  254    HB2  TYR  41           1HB      TYR  41   1.047 -12.417  -9.467
  255    HB3  TYR  41           2HB      TYR  41   1.229 -11.982  -7.771
  256    HD1  TYR  41           HD1      TYR  41   2.129 -14.401 -10.370
  257    HD2  TYR  41           HD2      TYR  41   2.590 -13.328  -6.279
  258    HE1  TYR  41           HE1      TYR  41   4.023 -15.958 -10.181
  259    HE2  TYR  41           HE2      TYR  41   4.486 -14.882  -6.078
  260    HH   TYR  41           HH       TYR  41   6.111 -16.137  -8.638
  261    H    HIS  42           H        HIS  42   0.684 -14.874  -6.305
  262    HA   HIS  42           HA       HIS  42  -1.074 -13.837  -4.216
  263    HB2  HIS  42           1HB      HIS  42   0.732 -16.234  -4.420
  264    HB3  HIS  42           2HB      HIS  42   0.105 -15.699  -2.863
  265    HD1  HIS  42           HD1      HIS  42  -0.589 -18.208  -5.089
  266    HD2  HIS  42           HD2      HIS  42  -2.982 -15.237  -3.444
  267    HE1  HIS  42           HE1      HIS  42  -2.948 -19.057  -5.287
  268    H    CYS  43           H        CYS  43   0.865 -12.042  -5.170
  269    HA   CYS  43           HA       CYS  43   2.673 -11.859  -2.849
  270    HB2  CYS  43           1HB      CYS  43   3.140 -11.365  -5.749
  271    HB3  CYS  43           2HB      CYS  43   3.958 -10.311  -4.600
  272    H1   NAG 101           H1       NAG 100   5.661  19.391 -21.138
  273    H2   NAG 101           HC2      NAG 100   7.564  19.528 -18.734
  274    H3   NAG 101           HC3      NAG 100   6.521  21.728 -20.610
  275    H4   NAG 101           HC4      NAG 100   9.317  20.459 -20.432
  276    H5   NAG 101           H5       NAG 100   7.094  20.149 -22.529
  277    H61  NAG 101           1H6      NAG 100   9.401  20.287 -23.509
  278    H62  NAG 101           2H6      NAG 100   9.957  19.027 -22.397
  279    H81  NAG 101           3H8      NAG 100   4.160  20.944 -16.334
  280    H82  NAG 101           1H8      NAG 100   3.194  19.766 -17.284
  281    H83  NAG 101           2H8      NAG 100   4.049  19.233 -15.797
  282    HN2  NAG 101           H2       NAG 100   5.018  21.045 -18.863
  283    HO3  NAG 101           H3       NAG 100   8.176  22.954 -19.501
  284    HO4  NAG 101           H4       NAG 100   9.850  21.906 -21.980
  285    HO6  NAG 101           HO6      NAG 100   7.994  17.770 -23.369
  286    H1   NAG 102           H1       NAG 200   6.249 -11.491  -3.586
  287    H2   NAG 102           HC2      NAG 200   8.710 -13.069  -4.520
  288    H3   NAG 102           HC3      NAG 200   8.473 -10.341  -3.121
  289    H4   NAG 102           HC4      NAG 200   9.210 -11.001  -6.035
  290    H5   NAG 102           H5       NAG 200   6.655  -9.800  -4.826
  291    H61  NAG 102           1H6      NAG 200   7.356  -8.729  -6.986
  292    H62  NAG 102           2H6      NAG 200   7.492 -10.324  -7.741
  293    H81  NAG 102           3H8      NAG 200   7.693 -15.635  -0.770
  294    H82  NAG 102           1H8      NAG 200   9.395 -15.079  -0.633
  295    H83  NAG 102           2H8      NAG 200   8.053 -13.988  -0.149
  296    HN2  NAG 102           H2       NAG 200   8.286 -12.267  -1.696
  297    HO3  NAG 102           H3       NAG 200  10.741 -10.261  -3.688
  298    HO4  NAG 102           H4       NAG 200   9.498  -8.844  -6.236
  299    HO6  NAG 102           HO6      NAG 200   5.126 -10.560  -6.891
  Start of MODEL   11
    1    H1   LYS   1           H        LYS   1   1.217  -1.710  -3.378
    2    HA   LYS   1           HA       LYS   1   2.258  -1.935  -5.644
    3    HB2  LYS   1           1HB      LYS   1   2.057   0.736  -4.286
    4    HB3  LYS   1           2HB      LYS   1   2.599   0.624  -5.955
    5    HG2  LYS   1           1HG      LYS   1   0.431  -0.770  -6.287
    6    HG3  LYS   1           2HG      LYS   1  -0.078   0.011  -4.788
    7    HD2  LYS   1           1HD      LYS   1   0.511   2.211  -5.881
    8    HD3  LYS   1           2HD      LYS   1   0.685   1.317  -7.393
    9    HE2  LYS   1           1HE      LYS   1  -1.536   2.347  -7.173
   10    HE3  LYS   1           2HE      LYS   1  -1.623   0.588  -7.260
   11    HZ1  LYS   1           3HZ      LYS   1  -2.959   1.924  -5.467
   12    HZ2  LYS   1           1HZ      LYS   1  -1.499   1.840  -4.615
   13    HZ3  LYS   1           2HZ      LYS   1  -2.279   0.419  -5.100
   14    HA   PRO   2           HA       PRO   2   6.639  -1.885  -5.881
   15    HB2  PRO   2           1HB      PRO   2   7.060  -0.822  -8.344
   16    HB3  PRO   2           2HB      PRO   2   6.423  -2.452  -8.097
   17    HG2  PRO   2           1HG      PRO   2   4.956   0.078  -8.737
   18    HG3  PRO   2           2HG      PRO   2   4.727  -1.548  -9.407
   19    HD2  PRO   2           1HD      PRO   2   3.120  -0.525  -7.483
   20    HD3  PRO   2           2HD      PRO   2   3.493  -2.258  -7.594
   21    H    ALA   3           H        ALA   3   8.439  -0.254  -6.943
   22    HA   ALA   3           HA       ALA   3   8.211   2.140  -5.305
   23    HB1  ALA   3           1HB      ALA   3  10.624   1.489  -6.939
   24    HB2  ALA   3           2HB      ALA   3  10.511   2.285  -5.369
   25    HB3  ALA   3           3HB      ALA   3  10.261   0.544  -5.495
   26    H    TRP   4           H        TRP   4   7.017   1.519  -8.155
   27    HA   TRP   4           HA       TRP   4   8.006   3.929  -9.507
   28    HB2  TRP   4           1HB      TRP   4   6.052   2.188 -10.886
   29    HB3  TRP   4           2HB      TRP   4   7.522   2.943 -11.497
   30    HD1  TRP   4           HD1      TRP   4   9.744   1.641  -9.803
   31    HE1  TRP   4           HE1      TRP   4  10.239  -0.881  -9.947
   32    HE3  TRP   4           HE3      TRP   4   5.256   0.036 -11.652
   33    HZ2  TRP   4           HZ2      TRP   4   8.904  -3.238 -10.740
   34    HZ3  TRP   4           HZ3      TRP   4   4.947  -2.368 -12.077
   35    HH2  TRP   4           HH2      TRP   4   6.735  -3.969 -11.630
   36    H    CYS   5           H        CYS   5   4.989   2.332  -8.531
   37    HA   CYS   5           HA       CYS   5   3.482   4.764  -9.099
   38    HB2  CYS   5           1HB      CYS   5   2.383   2.198  -7.958
   39    HB3  CYS   5           2HB      CYS   5   1.516   3.462  -8.826
   40    H    TRP   6           H        TRP   6   1.514   4.699  -7.212
   41    HA   TRP   6           HA       TRP   6   2.716   4.678  -4.573
   42    HB2  TRP   6           1HB      TRP   6   2.936   7.010  -5.956
   43    HB3  TRP   6           2HB      TRP   6   1.385   7.247  -5.156
   44    HD1  TRP   6           HD1      TRP   6   5.053   7.454  -4.548
   45    HE1  TRP   6           HE1      TRP   6   5.512   7.986  -2.072
   46    HE3  TRP   6           HE3      TRP   6   0.365   6.664  -2.666
   47    HZ2  TRP   6           HZ2      TRP   6   4.076   8.061   0.357
   48    HZ3  TRP   6           HZ3      TRP   6  -0.007   6.987  -0.256
   49    HH2  TRP   6           HH2      TRP   6   1.811   7.670   1.223
   50    H    TYR   7           H        TYR   7  -0.094   5.528  -6.555
   51    HA   TYR   7           HA       TYR   7  -1.879   3.889  -5.169
   52    HB2  TYR   7           1HB      TYR   7  -1.294   6.087  -3.630
   53    HB3  TYR   7           2HB      TYR   7  -2.753   6.602  -4.470
   54    HD1  TYR   7           HD2      TYR   7  -1.541   3.452  -2.847
   55    HD2  TYR   7           HD1      TYR   7  -4.686   6.287  -3.267
   56    HE1  TYR   7           HE2      TYR   7  -2.904   2.167  -1.253
   57    HE2  TYR   7           HE1      TYR   7  -6.057   5.010  -1.673
   58    HH   TYR   7           HH       TYR   7  -5.279   1.861  -0.690
   59    H    THR   8           H        THR   8  -4.269   5.216  -5.430
   60    HA   THR   8           HA       THR   8  -4.425   5.509  -8.338
   61    HB   THR   8           HB       THR   8  -6.803   5.371  -6.504
   62    HG1  THR   8           HG1      THR   8  -5.036   3.317  -7.265
   63   HG21  THR   8          3HG2      THR   8  -6.322   5.328  -9.359
   64   HG22  THR   8          1HG2      THR   8  -7.836   5.526  -8.479
   65   HG23  THR   8          2HG2      THR   8  -7.227   3.910  -8.833
   66    H    LEU   9           H        LEU   9  -3.492   7.637  -6.448
   67    HA   LEU   9           HA       LEU   9  -5.440   9.632  -6.151
   68    HB2  LEU   9           1HB      LEU   9  -2.493   9.495  -6.090
   69    HB3  LEU   9           2HB      LEU   9  -3.185  11.085  -6.404
   70    HG   LEU   9           HG       LEU   9  -4.547  10.744  -4.283
   71   HD11  LEU   9          1HD1      LEU   9  -2.450   8.706  -3.615
   72   HD12  LEU   9          2HD1      LEU   9  -4.020   8.245  -4.272
   73   HD13  LEU   9          3HD1      LEU   9  -3.925   9.105  -2.736
   74   HD21  LEU   9          3HD2      LEU   9  -2.527  12.197  -4.519
   75   HD22  LEU   9          1HD2      LEU   9  -1.557  10.847  -3.930
   76   HD23  LEU   9          2HD2      LEU   9  -2.788  11.566  -2.892
   77    H    ALA  10           H        ALA  10  -3.542   8.642  -8.887
   78    HA   ALA  10           HA       ALA  10  -3.597   9.237 -11.085
   79    HB1  ALA  10           1HB      ALA  10  -6.007  10.936 -10.536
   80    HB2  ALA  10           2HB      ALA  10  -5.589  10.043 -11.999
   81    HB3  ALA  10           3HB      ALA  10  -6.105   9.175 -10.553
   82    H    MET  11           H        MET  11  -1.674  10.511 -10.059
   83    HA   MET  11           HA       MET  11  -1.879  13.325  -9.822
   84    HB2  MET  11           1HB      MET  11   0.524  11.576 -10.370
   85    HB3  MET  11           2HB      MET  11   0.604  13.284  -9.963
   86    HG2  MET  11           1HG      MET  11  -0.075  12.929  -7.778
   87    HG3  MET  11           2HG      MET  11  -0.785  11.360  -8.150
   88    HE1  MET  11           3HE      MET  11   1.759   9.027  -6.911
   89    HE2  MET  11           1HE      MET  11   0.276   9.829  -6.394
   90    HE3  MET  11           2HE      MET  11   0.392   9.152  -8.019
   91    H    CYS  12           H        CYS  12   0.073  11.635 -12.267
   92    HA   CYS  12           HA       CYS  12   0.225  13.715 -14.074
   93    HB2  CYS  12           1HB      CYS  12   0.972  12.128 -15.683
   94    HB3  CYS  12           2HB      CYS  12   1.511  11.533 -14.116
   95    H    GLY  13           H        GLY  13  -0.818  14.073 -16.126
   96    HA2  GLY  13           1HA      GLY  13  -2.611  13.847 -17.648
   97    HA3  GLY  13           2HA      GLY  13  -3.470  12.882 -16.456
   98    H    ALA  14           H        ALA  14  -2.783  14.969 -14.379
   99    HA   ALA  14           HA       ALA  14  -4.911  16.863 -15.128
  100    HB1  ALA  14           1HB      ALA  14  -4.030  15.945 -12.393
  101    HB2  ALA  14           2HB      ALA  14  -5.280  17.150 -12.708
  102    HB3  ALA  14           3HB      ALA  14  -5.510  15.482 -13.234
  103    H    GLY  15           H        GLY  15  -2.076  17.141 -15.813
  104    HA2  GLY  15           1HA      GLY  15  -0.989  19.251 -16.084
  105    HA3  GLY  15           2HA      GLY  15  -1.646  19.751 -14.532
  106    H    TYR  16           H        TYR  16  -0.816  16.954 -13.543
  107    HA   TYR  16           HA       TYR  16   1.522  17.715 -12.232
  108    HB2  TYR  16           1HB      TYR  16  -0.018  15.228 -12.563
  109    HB3  TYR  16           2HB      TYR  16   1.688  14.988 -12.201
  110    HD1  TYR  16           HD2      TYR  16  -1.479  16.391 -10.958
  111    HD2  TYR  16           HD1      TYR  16   2.589  15.542 -10.044
  112    HE1  TYR  16           HE2      TYR  16  -1.933  16.809  -8.578
  113    HE2  TYR  16           HE1      TYR  16   2.146  15.956  -7.661
  114    HH   TYR  16           HH       TYR  16  -0.054  15.825  -6.148
  115    H    ASP  17           H        ASP  17   1.052  16.042 -15.281
  116    HA   ASP  17           HA       ASP  17   3.966  16.141 -15.713
  117    HB2  ASP  17           1HB      ASP  17   1.994  14.081 -16.725
  118    HB3  ASP  17           2HB      ASP  17   3.686  14.169 -17.205
  119    H    SER  18           H        SER  18   4.200  15.682 -18.322
  120    HA   SER  18           HA       SER  18   3.105  18.092 -19.486
  121    HB2  SER  18           1HB      SER  18   5.177  16.087 -20.310
  122    HB3  SER  18           2HB      SER  18   4.499  17.184 -21.513
  123    H    GLY  19           H        GLY  19   0.890  17.203 -19.292
  124    HA2  GLY  19           1HA      GLY  19  -0.141  15.087 -18.883
  125    HA3  GLY  19           2HA      GLY  19  -0.602  15.514 -20.524
  126    H    THR  20           H        THR  20   1.812  13.745 -18.634
  127    HA   THR  20           HA       THR  20   1.814  11.644 -20.637
  128    HB   THR  20           HB       THR  20   3.616  13.262 -21.331
  129    HG1  THR  20           HG1      THR  20   4.561  10.697 -20.521
  130   HG21  THR  20          3HG2      THR  20   4.341  13.913 -19.071
  131   HG22  THR  20          1HG2      THR  20   5.683  13.308 -20.041
  132   HG23  THR  20          2HG2      THR  20   4.953  12.280 -18.806
  133    H    CYS  21           H        CYS  21   2.188   9.659 -19.783
  134    HA   CYS  21           HA       CYS  21   3.184   9.512 -17.020
  135    HB2  CYS  21           1HB      CYS  21   0.891   7.829 -18.029
  136    HB3  CYS  21           2HB      CYS  21   1.462   7.995 -16.372
  137    H    ASP  22           H        ASP  22   3.225   6.894 -16.556
  138    HA   ASP  22           HA       ASP  22   4.310   5.452 -18.821
  139    HB2  ASP  22           1HB      ASP  22   6.018   6.784 -16.881
  140    HB3  ASP  22           2HB      ASP  22   6.309   5.047 -16.924
  141    H    TYR  23           H        TYR  23   4.840   5.101 -15.327
  142    HA   TYR  23           HA       TYR  23   4.202   2.355 -15.318
  143    HB2  TYR  23           1HB      TYR  23   4.084   4.159 -12.905
  144    HB3  TYR  23           2HB      TYR  23   4.472   2.443 -12.959
  145    HD1  TYR  23           HD2      TYR  23   6.545   2.007 -14.730
  146    HD2  TYR  23           HD1      TYR  23   5.876   5.510 -12.410
  147    HE1  TYR  23           HE2      TYR  23   8.940   2.548 -14.868
  148    HE2  TYR  23           HE1      TYR  23   8.269   6.062 -12.542
  149    HH   TYR  23           HH       TYR  23  10.224   5.555 -13.519
  150    H    MET  24           H        MET  24   2.264   5.206 -15.049
  151    HA   MET  24           HA       MET  24   0.028   4.141 -13.716
  152    HB2  MET  24           1HB      MET  24   0.346   6.420 -15.660
  153    HB3  MET  24           2HB      MET  24  -1.209   6.011 -14.949
  154    HG2  MET  24           1HG      MET  24  -0.513   7.612 -13.494
  155    HG3  MET  24           2HG      MET  24   0.135   6.177 -12.704
  156    HE1  MET  24           3HE      MET  24   2.476   5.419 -12.708
  157    HE2  MET  24           1HE      MET  24   3.799   6.584 -12.637
  158    HE3  MET  24           2HE      MET  24   2.456   6.704 -11.500
  159    H    TYR  25           H        TYR  25   0.845   4.329 -17.159
  160    HA   TYR  25           HA       TYR  25  -1.580   3.216 -18.101
  161    HB2  TYR  25           1HB      TYR  25   1.152   3.590 -19.291
  162    HB3  TYR  25           2HB      TYR  25  -0.082   2.683 -20.159
  163    HD1  TYR  25           HD1      TYR  25  -0.009   5.874 -18.200
  164    HD2  TYR  25           HD2      TYR  25  -1.101   3.911 -21.814
  165    HE1  TYR  25           HE1      TYR  25  -0.947   7.981 -19.055
  166    HE2  TYR  25           HE2      TYR  25  -2.040   6.013 -22.679
  167    HH   TYR  25           HH       TYR  25  -2.900   8.493 -20.945
  168    H    SER  26           H        SER  26   0.965   1.840 -16.402
  169    HA   SER  26           HA       SER  26   0.760  -0.799 -17.586
  170    HB2  SER  26           1HB      SER  26   2.899   0.214 -16.615
  171    HB3  SER  26           2HB      SER  26   2.196  -0.093 -15.027
  172    HG   SER  26           HG       SER  26   2.766  -2.006 -17.045
  173    H    HIS  27           H        HIS  27  -1.641   0.355 -16.449
  174    HA   HIS  27           HA       HIS  27  -3.400  -0.190 -15.110
  175    HB2  HIS  27           1HB      HIS  27  -2.642  -2.457 -16.294
  176    HB3  HIS  27           2HB      HIS  27  -2.312  -2.921 -14.627
  177    HD1  HIS  27           HD1      HIS  27  -4.211  -4.577 -14.383
  178    HD2  HIS  27           HD2      HIS  27  -5.478  -0.816 -15.613
  179    HE1  HIS  27           HE1      HIS  27  -6.720  -4.626 -14.222
  180    H    CYS  28           H        CYS  28  -1.676   1.232 -13.702
  181    HA   CYS  28           HA       CYS  28  -1.396  -0.193 -11.136
  182    HB2  CYS  28           1HB      CYS  28   0.648   0.884 -12.497
  183    HB3  CYS  28           2HB      CYS  28   0.128   2.315 -11.612
  184    H    PHE  29           H        PHE  29  -2.844   2.423 -12.800
  185    HA   PHE  29           HA       PHE  29  -3.810   3.538 -10.249
  186    HB2  PHE  29           1HB      PHE  29  -3.142   4.861 -12.861
  187    HB3  PHE  29           2HB      PHE  29  -4.296   5.604 -11.758
  188    HD1  PHE  29           HD2      PHE  29  -1.008   3.882 -11.349
  189    HD2  PHE  29           HD1      PHE  29  -3.373   7.337 -10.585
  190    HE1  PHE  29           HE2      PHE  29   0.853   4.870 -10.077
  191    HE2  PHE  29           HE1      PHE  29  -1.517   8.331  -9.314
  192    HZ   PHE  29           HZ       PHE  29   0.600   7.098  -9.059
  193    H    GLY  30           H        GLY  30  -4.641   2.197 -13.324
  194    HA2  GLY  30           1HA      GLY  30  -6.732   1.159 -13.736
  195    HA3  GLY  30           2HA      GLY  30  -7.459   2.201 -12.522
  196    H    VAL  31           H        VAL  31  -5.347   3.576 -14.899
  197    HA   VAL  31           HA       VAL  31  -7.653   4.951 -16.085
  198    HB   VAL  31           HB       VAL  31  -6.053   6.606 -16.912
  199   HG11  VAL  31          1HG1      VAL  31  -7.051   6.838 -14.660
  200   HG12  VAL  31          2HG1      VAL  31  -5.623   6.055 -13.978
  201   HG13  VAL  31          3HG1      VAL  31  -5.471   7.610 -14.798
  202   HG21  VAL  31          3HG2      VAL  31  -3.984   5.832 -17.301
  203   HG22  VAL  31          1HG2      VAL  31  -3.696   6.196 -15.600
  204   HG23  VAL  31          2HG2      VAL  31  -4.129   4.558 -16.090
  205    H    LYS  32           H        LYS  32  -4.912   2.917 -16.851
  206    HA   LYS  32           HA       LYS  32  -4.869   3.171 -19.628
  207    HB2  LYS  32           1HB      LYS  32  -3.124   2.001 -18.377
  208    HB3  LYS  32           2HB      LYS  32  -4.266   0.738 -17.935
  209    HG2  LYS  32           1HG      LYS  32  -3.162  -0.250 -19.678
  210    HG3  LYS  32           2HG      LYS  32  -4.533   0.477 -20.519
  211    HD2  LYS  32           1HD      LYS  32  -1.943   1.959 -20.210
  212    HD3  LYS  32           2HD      LYS  32  -2.171   0.786 -21.510
  213    HE2  LYS  32           1HE      LYS  32  -4.449   2.257 -21.708
  214    HE3  LYS  32           2HE      LYS  32  -3.298   3.477 -21.164
  215    HZ1  LYS  32           3HZ      LYS  32  -3.495   2.145 -23.709
  216    HZ2  LYS  32           1HZ      LYS  32  -1.922   2.180 -23.088
  217    HZ3  LYS  32           2HZ      LYS  32  -2.773   3.623 -23.314
  218    H    HIS  33           H        HIS  33  -6.309   2.680 -21.138
  219    HA   HIS  33           HA       HIS  33  -8.685   1.184 -20.452
  220    HB2  HIS  33           1HB      HIS  33  -7.943   2.274 -23.167
  221    HB3  HIS  33           2HB      HIS  33  -9.551   1.884 -22.565
  222    HD1  HIS  33           HD1      HIS  33  -8.106   4.731 -23.552
  223    HD2  HIS  33           HD2      HIS  33  -9.519   3.624 -19.805
  224    HE1  HIS  33           HE1      HIS  33  -8.566   6.888 -22.342
  225    H    SER  34           H        SER  34  -9.495  -0.372 -22.266
  226    HA   SER  34           HA       SER  34  -7.552  -2.503 -22.404
  227    HB2  SER  34           1HB      SER  34  -9.950  -2.907 -21.831
  228    HB3  SER  34           2HB      SER  34 -10.382  -2.448 -23.477
  229    HG   SER  34           HG       SER  34  -9.583  -4.819 -22.590
  230    H    SER  35           H        SER  35  -6.674  -3.409 -24.236
  231    HA   SER  35           HA       SER  35  -6.230  -1.673 -26.434
  232    HB2  SER  35           1HB      SER  35  -5.672  -4.618 -26.574
  233    HB3  SER  35           2HB      SER  35  -4.727  -3.275 -27.215
  234    HG   SER  35           HG       SER  35  -3.635  -3.890 -25.438
  235    H    GLY  36           H        GLY  36  -8.206  -1.177 -27.388
  236    HA2  GLY  36           1HA      GLY  36  -9.944  -3.287 -28.335
  237    HA3  GLY  36           2HA      GLY  36 -10.175  -1.560 -28.563
  238    H    GLY  37           H        GLY  37 -10.030  -4.157 -30.314
  239    HA2  GLY  37           1HA      GLY  37  -9.816  -4.177 -32.661
  240    HA3  GLY  37           2HA      GLY  37  -8.758  -2.778 -32.554
  241    H    GLY  38           H        GLY  38  -6.951  -3.782 -30.619
  242    HA2  GLY  38           1HA      GLY  38  -5.393  -5.569 -30.315
  243    HA3  GLY  38           2HA      GLY  38  -5.825  -6.172 -31.908
  244    H    GLY  39           H        GLY  39  -3.178  -5.604 -30.791
  245    HA2  GLY  39           1HA      GLY  39  -2.165  -4.095 -33.042
  246    HA3  GLY  39           2HA      GLY  39  -1.922  -3.316 -31.486
  247    H    SER  40           H        SER  40   0.314  -3.778 -32.746
  248    HA   SER  40           HA       SER  40   1.718  -5.580 -31.067
  249    HB2  SER  40           1HB      SER  40   0.714  -7.241 -32.601
  250    HB3  SER  40           2HB      SER  40   1.465  -6.416 -33.967
  251    HG   SER  40           HG       SER  40   2.720  -8.185 -33.265
  252    H    TYR  41           H        TYR  41   4.059  -5.740 -31.719
  253    HA   TYR  41           HA       TYR  41   4.870  -3.298 -33.157
  254    HB2  TYR  41           1HB      TYR  41   5.234  -3.575 -30.551
  255    HB3  TYR  41           2HB      TYR  41   6.631  -4.512 -31.071
  256    HD1  TYR  41           HD1      TYR  41   5.119  -1.177 -30.953
  257    HD2  TYR  41           HD2      TYR  41   8.508  -3.442 -32.174
  258    HE1  TYR  41           HE1      TYR  41   6.392   0.905 -31.259
  259    HE2  TYR  41           HE2      TYR  41   9.791  -1.366 -32.482
  260    HH   TYR  41           HH       TYR  41   8.380   1.666 -32.607
  261    H    HIS  42           H        HIS  42   7.016  -3.387 -34.154
  262    HA   HIS  42           HA       HIS  42   7.461  -6.007 -35.369
  263    HB2  HIS  42           1HB      HIS  42   7.225  -3.696 -36.614
  264    HB3  HIS  42           2HB      HIS  42   8.934  -3.543 -36.215
  265    HD1  HIS  42           HD1      HIS  42   6.704  -6.189 -37.817
  266    HD2  HIS  42           HD2      HIS  42  10.507  -4.549 -38.159
  267    HE1  HIS  42           HE1      HIS  42   7.756  -7.336 -39.792
  268    H    CYS  43           H        CYS  43   8.298  -5.661 -32.677
  269    HA   CYS  43           HA       CYS  43  11.032  -5.028 -32.436
  270    HB2  CYS  43           1HB      CYS  43   9.309  -5.296 -30.571
  271    HB3  CYS  43           2HB      CYS  43   9.569  -7.031 -30.719
  272    H1   NAG 101           H1       NAG 100   5.183  19.574 -21.265
  273    H2   NAG 101           HC2      NAG 100   7.329  19.986 -19.109
  274    H3   NAG 101           HC3      NAG 100   5.975  21.981 -21.016
  275    H4   NAG 101           HC4      NAG 100   8.836  20.850 -21.060
  276    H5   NAG 101           H5       NAG 100   6.415  20.277 -22.862
  277    H61  NAG 101           1H6      NAG 100   8.590  20.434 -24.105
  278    H62  NAG 101           2H6      NAG 100   9.328  19.292 -22.971
  279    H81  NAG 101           3H8      NAG 100   3.897  21.456 -16.756
  280    H82  NAG 101           1H8      NAG 100   3.193  19.822 -17.002
  281    H83  NAG 101           2H8      NAG 100   4.364  20.103 -15.670
  282    HN2  NAG 101           H2       NAG 100   4.710  21.378 -19.063
  283    HO3  NAG 101           H3       NAG 100   7.677  23.362 -20.197
  284    HO4  NAG 101           H4       NAG 100   9.121  22.189 -22.764
  285    HO6  NAG 101           HO6      NAG 100   7.338  17.879 -23.617
  286    H1   NAG 102           H1       NAG 200  12.951  -5.872 -28.397
  287    H2   NAG 102           HC2      NAG 200  14.498  -8.388 -29.234
  288    H3   NAG 102           HC3      NAG 200  15.270  -6.073 -27.365
  289    H4   NAG 102           HC4      NAG 200  16.272  -6.731 -30.198
  290    H5   NAG 102           H5       NAG 200  14.399  -4.516 -29.188
  291    H61  NAG 102           1H6      NAG 200  16.019  -3.751 -30.946
  292    H62  NAG 102           2H6      NAG 200  15.551  -5.109 -31.979
  293    H81  NAG 102           3H8      NAG 200  11.574 -10.531 -26.322
  294    H82  NAG 102           1H8      NAG 200  13.248 -10.744 -25.710
  295    H83  NAG 102           2H8      NAG 200  12.342  -9.238 -25.341
  296    HN2  NAG 102           H2       NAG 200  13.850  -7.760 -26.408
  297    HO3  NAG 102           H3       NAG 200  17.360  -7.109 -27.539
  298    HO4  NAG 102           H4       NAG 200  17.595  -5.016 -29.908
  299    HO6  NAG 102           HO6      NAG 200  13.235  -4.184 -31.578
  Start of MODEL   12
    1    H1   LYS   1           H        LYS   1   0.629  -2.683  -4.692
    2    HA   LYS   1           HA       LYS   1   1.865  -2.169  -6.631
    3    HB2  LYS   1           1HB      LYS   1   2.135   0.310  -6.641
    4    HB3  LYS   1           2HB      LYS   1   0.558  -0.228  -6.079
    5    HG2  LYS   1           1HG      LYS   1   1.765  -0.056  -3.722
    6    HG3  LYS   1           2HG      LYS   1   2.745   1.117  -4.604
    7    HD2  LYS   1           1HD      LYS   1   1.063   2.468  -3.811
    8    HD3  LYS   1           2HD      LYS   1   0.405   2.014  -5.385
    9    HE2  LYS   1           1HE      LYS   1  -0.216   0.272  -3.060
   10    HE3  LYS   1           2HE      LYS   1  -1.019   1.839  -3.151
   11    HZ1  LYS   1           3HZ      LYS   1  -2.473   0.794  -4.455
   12    HZ2  LYS   1           1HZ      LYS   1  -1.455  -0.533  -4.711
   13    HZ3  LYS   1           2HZ      LYS   1  -1.289   0.857  -5.661
   14    HA   PRO   2           HA       PRO   2   6.239  -2.327  -6.293
   15    HB2  PRO   2           1HB      PRO   2   6.996  -0.996  -8.535
   16    HB3  PRO   2           2HB      PRO   2   6.289  -2.615  -8.571
   17    HG2  PRO   2           1HG      PRO   2   4.985   0.033  -9.067
   18    HG3  PRO   2           2HG      PRO   2   4.798  -1.490  -9.956
   19    HD2  PRO   2           1HD      PRO   2   2.989  -0.636  -8.130
   20    HD3  PRO   2           2HD      PRO   2   3.325  -2.357  -8.409
   21    H    ALA   3           H        ALA   3   8.209  -0.674  -6.888
   22    HA   ALA   3           HA       ALA   3   7.829   1.530  -5.027
   23    HB1  ALA   3           1HB      ALA   3   9.808  -0.073  -4.987
   24    HB2  ALA   3           2HB      ALA   3  10.401   0.807  -6.397
   25    HB3  ALA   3           3HB      ALA   3  10.166   1.649  -4.865
   26    H    TRP   4           H        TRP   4   7.023   1.294  -8.062
   27    HA   TRP   4           HA       TRP   4   8.303   3.755  -9.007
   28    HB2  TRP   4           1HB      TRP   4   6.388   2.299 -10.744
   29    HB3  TRP   4           2HB      TRP   4   7.932   3.047 -11.145
   30    HD1  TRP   4           HD1      TRP   4   9.911   1.450  -9.354
   31    HE1  TRP   4           HE1      TRP   4  10.338  -1.055  -9.765
   32    HE3  TRP   4           HE3      TRP   4   5.635   0.307 -11.912
   33    HZ2  TRP   4           HZ2      TRP   4   9.035  -3.228 -11.010
   34    HZ3  TRP   4           HZ3      TRP   4   5.302  -2.008 -12.678
   35    HH2  TRP   4           HH2      TRP   4   6.968  -3.737 -12.236
   36    H    CYS   5           H        CYS   5   5.125   2.352  -8.357
   37    HA   CYS   5           HA       CYS   5   3.793   4.859  -8.979
   38    HB2  CYS   5           1HB      CYS   5   2.518   2.397  -7.795
   39    HB3  CYS   5           2HB      CYS   5   1.748   3.680  -8.722
   40    H    TRP   6           H        TRP   6   1.778   4.972  -7.149
   41    HA   TRP   6           HA       TRP   6   2.976   5.032  -4.493
   42    HB2  TRP   6           1HB      TRP   6   3.079   7.309  -6.003
   43    HB3  TRP   6           2HB      TRP   6   1.555   7.526  -5.146
   44    HD1  TRP   6           HD1      TRP   6   5.232   7.892  -4.709
   45    HE1  TRP   6           HE1      TRP   6   5.776   8.537  -2.277
   46    HE3  TRP   6           HE3      TRP   6   0.666   6.997  -2.591
   47    HZ2  TRP   6           HZ2      TRP   6   4.446   8.650   0.210
   48    HZ3  TRP   6           HZ3      TRP   6   0.386   7.398  -0.180
   49    HH2  TRP   6           HH2      TRP   6   2.238   8.207   1.190
   50    H    TYR   7           H        TYR   7   0.121   5.758  -6.471
   51    HA   TYR   7           HA       TYR   7  -1.606   4.100  -5.034
   52    HB2  TYR   7           1HB      TYR   7  -1.056   6.332  -3.537
   53    HB3  TYR   7           2HB      TYR   7  -2.530   6.809  -4.374
   54    HD1  TYR   7           HD2      TYR   7  -1.218   3.762  -2.638
   55    HD2  TYR   7           HD1      TYR   7  -4.483   6.425  -3.225
   56    HE1  TYR   7           HE2      TYR   7  -2.547   2.480  -1.014
   57    HE2  TYR   7           HE1      TYR   7  -5.822   5.152  -1.601
   58    HH   TYR   7           HH       TYR   7  -5.933   3.032  -0.567
   59    H    THR   8           H        THR   8  -4.029   5.383  -5.285
   60    HA   THR   8           HA       THR   8  -4.229   5.608  -8.196
   61    HB   THR   8           HB       THR   8  -6.583   5.463  -6.332
   62    HG1  THR   8           HG1      THR   8  -4.893   3.352  -7.208
   63   HG21  THR   8          3HG2      THR   8  -7.672   5.487  -8.277
   64   HG22  THR   8          1HG2      THR   8  -6.939   3.929  -8.655
   65   HG23  THR   8          2HG2      THR   8  -6.157   5.421  -9.177
   66    H    LEU   9           H        LEU   9  -3.314   7.793  -6.366
   67    HA   LEU   9           HA       LEU   9  -5.294   9.755  -6.074
   68    HB2  LEU   9           1HB      LEU   9  -2.341   9.688  -6.091
   69    HB3  LEU   9           2HB      LEU   9  -3.086  11.254  -6.402
   70    HG   LEU   9           HG       LEU   9  -2.494  10.982  -4.048
   71   HD11  LEU   9          1HD1      LEU   9  -4.335  12.059  -3.307
   72   HD12  LEU   9          2HD1      LEU   9  -5.440  10.835  -3.932
   73   HD13  LEU   9          3HD1      LEU   9  -4.756  12.043  -5.020
   74   HD21  LEU   9          3HD2      LEU   9  -2.611   8.673  -3.655
   75   HD22  LEU   9          1HD2      LEU   9  -4.262   8.564  -4.264
   76   HD23  LEU   9          2HD2      LEU   9  -3.942   9.355  -2.720
   77    H    ALA  10           H        ALA  10  -3.419   8.758  -8.829
   78    HA   ALA  10           HA       ALA  10  -3.535   9.302 -11.037
   79    HB1  ALA  10           1HB      ALA  10  -6.032   9.183 -10.444
   80    HB2  ALA  10           2HB      ALA  10  -5.981  10.946 -10.488
   81    HB3  ALA  10           3HB      ALA  10  -5.567  10.016 -11.928
   82    H    MET  11           H        MET  11  -1.629  10.651 -10.089
   83    HA   MET  11           HA       MET  11  -1.920  13.467  -9.911
   84    HB2  MET  11           1HB      MET  11   0.503  11.727 -10.383
   85    HB3  MET  11           2HB      MET  11   0.585  13.467 -10.145
   86    HG2  MET  11           1HG      MET  11  -0.356  13.241  -7.928
   87    HG3  MET  11           2HG      MET  11  -0.543  11.505  -8.164
   88    HE1  MET  11           3HE      MET  11   0.989   9.914  -8.347
   89    HE2  MET  11           1HE      MET  11   2.744   9.991  -8.192
   90    HE3  MET  11           2HE      MET  11   1.732   9.960  -6.748
   91    H    CYS  12           H        CYS  12   0.056  11.768 -12.331
   92    HA   CYS  12           HA       CYS  12   0.134  13.799 -14.195
   93    HB2  CYS  12           1HB      CYS  12   0.904  12.190 -15.769
   94    HB3  CYS  12           2HB      CYS  12   1.469  11.645 -14.193
   95    H    GLY  13           H        GLY  13  -0.937  14.065 -16.251
   96    HA2  GLY  13           1HA      GLY  13  -2.742  13.783 -17.740
   97    HA3  GLY  13           2HA      GLY  13  -3.553  12.796 -16.534
   98    H    ALA  14           H        ALA  14  -2.878  14.963 -14.501
   99    HA   ALA  14           HA       ALA  14  -5.107  16.747 -15.225
  100    HB1  ALA  14           1HB      ALA  14  -5.424  17.065 -12.800
  101    HB2  ALA  14           2HB      ALA  14  -5.611  15.382 -13.295
  102    HB3  ALA  14           3HB      ALA  14  -4.127  15.908 -12.499
  103    H    GLY  15           H        GLY  15  -2.191  17.032 -15.854
  104    HA2  GLY  15           1HA      GLY  15  -1.209  19.197 -16.231
  105    HA3  GLY  15           2HA      GLY  15  -1.885  19.724 -14.697
  106    H    TYR  16           H        TYR  16  -0.951  16.966 -13.650
  107    HA   TYR  16           HA       TYR  16   1.356  17.856 -12.352
  108    HB2  TYR  16           1HB      TYR  16  -0.096  15.306 -12.606
  109    HB3  TYR  16           2HB      TYR  16   1.614  15.142 -12.226
  110    HD1  TYR  16           HD2      TYR  16  -1.600  16.518 -11.060
  111    HD2  TYR  16           HD1      TYR  16   2.467  15.751 -10.076
  112    HE1  TYR  16           HE2      TYR  16  -2.087  17.000  -8.697
  113    HE2  TYR  16           HE1      TYR  16   1.992  16.230  -7.711
  114    HH   TYR  16           HH       TYR  16   0.469  16.874  -6.232
  115    H    ASP  17           H        ASP  17   0.940  16.066 -15.343
  116    HA   ASP  17           HA       ASP  17   3.854  16.215 -15.769
  117    HB2  ASP  17           1HB      ASP  17   1.905  14.129 -16.770
  118    HB3  ASP  17           2HB      ASP  17   3.597  14.228 -17.249
  119    H    SER  18           H        SER  18   4.110  15.736 -18.371
  120    HA   SER  18           HA       SER  18   3.002  18.127 -19.564
  121    HB2  SER  18           1HB      SER  18   5.055  16.104 -20.432
  122    HB3  SER  18           2HB      SER  18   4.430  17.308 -21.558
  123    H    GLY  19           H        GLY  19   0.795  17.210 -19.372
  124    HA2  GLY  19           1HA      GLY  19  -0.213  15.086 -18.952
  125    HA3  GLY  19           2HA      GLY  19  -0.669  15.492 -20.600
  126    H    THR  20           H        THR  20   1.750  13.767 -18.677
  127    HA   THR  20           HA       THR  20   1.792  11.649 -20.661
  128    HB   THR  20           HB       THR  20   3.578  13.285 -21.359
  129    HG1  THR  20           HG1      THR  20   3.588  10.797 -21.517
  130   HG21  THR  20          3HG2      THR  20   4.911  12.339 -18.819
  131   HG22  THR  20          1HG2      THR  20   4.284  13.963 -19.100
  132   HG23  THR  20          2HG2      THR  20   5.638  13.362 -20.057
  133    H    CYS  21           H        CYS  21   2.185   9.677 -19.786
  134    HA   CYS  21           HA       CYS  21   3.163   9.570 -17.015
  135    HB2  CYS  21           1HB      CYS  21   0.904   7.844 -18.027
  136    HB3  CYS  21           2HB      CYS  21   1.460   8.032 -16.367
  137    H    ASP  22           H        ASP  22   3.257   6.967 -16.519
  138    HA   ASP  22           HA       ASP  22   4.362   5.506 -18.760
  139    HB2  ASP  22           1HB      ASP  22   6.057   6.918 -16.871
  140    HB3  ASP  22           2HB      ASP  22   6.380   5.186 -16.862
  141    H    TYR  23           H        TYR  23   4.923   5.239 -15.263
  142    HA   TYR  23           HA       TYR  23   4.346   2.480 -15.193
  143    HB2  TYR  23           1HB      TYR  23   4.205   4.340 -12.822
  144    HB3  TYR  23           2HB      TYR  23   4.614   2.628 -12.832
  145    HD1  TYR  23           HD2      TYR  23   6.588   2.475 -14.998
  146    HD2  TYR  23           HD1      TYR  23   6.079   5.424 -11.973
  147    HE1  TYR  23           HE2      TYR  23   8.975   3.044 -15.159
  148    HE2  TYR  23           HE1      TYR  23   8.465   6.001 -12.127
  149    HH   TYR  23           HH       TYR  23  10.361   5.352 -14.559
  150    H    MET  24           H        MET  24   2.345   5.291 -14.975
  151    HA   MET  24           HA       MET  24   0.139   4.204 -13.609
  152    HB2  MET  24           1HB      MET  24   0.394   6.446 -15.605
  153    HB3  MET  24           2HB      MET  24  -1.147   6.018 -14.874
  154    HG2  MET  24           1HG      MET  24  -0.481   7.663 -13.457
  155    HG3  MET  24           2HG      MET  24   0.216   6.264 -12.643
  156    HE1  MET  24           3HE      MET  24   2.521   6.872 -11.477
  157    HE2  MET  24           1HE      MET  24   2.591   5.573 -12.668
  158    HE3  MET  24           2HE      MET  24   3.867   6.790 -12.615
  159    H    TYR  25           H        TYR  25   0.941   4.329 -17.057
  160    HA   TYR  25           HA       TYR  25  -1.463   3.146 -17.967
  161    HB2  TYR  25           1HB      TYR  25   1.260   3.542 -19.171
  162    HB3  TYR  25           2HB      TYR  25   0.041   2.593 -20.015
  163    HD1  TYR  25           HD1      TYR  25   0.026   5.821 -18.118
  164    HD2  TYR  25           HD2      TYR  25  -0.968   3.772 -21.711
  165    HE1  TYR  25           HE1      TYR  25  -0.951   7.890 -19.020
  166    HE2  TYR  25           HE2      TYR  25  -1.947   5.835 -22.624
  167    HH   TYR  25           HH       TYR  25  -2.391   8.682 -20.664
  168    H    SER  26           H        SER  26   1.110   1.861 -16.239
  169    HA   SER  26           HA       SER  26   0.953  -0.809 -17.357
  170    HB2  SER  26           1HB      SER  26   3.029   0.411 -16.282
  171    HB3  SER  26           2HB      SER  26   2.350  -0.210 -14.778
  172    HG   SER  26           HG       SER  26   3.225  -2.038 -15.289
  173    H    HIS  27           H        HIS  27  -1.462   0.341 -16.228
  174    HA   HIS  27           HA       HIS  27  -3.206  -0.205 -14.871
  175    HB2  HIS  27           1HB      HIS  27  -1.754  -2.794 -15.239
  176    HB3  HIS  27           2HB      HIS  27  -3.094  -2.725 -14.098
  177    HD1  HIS  27           HD1      HIS  27  -4.297  -4.416 -15.761
  178    HD2  HIS  27           HD2      HIS  27  -3.642  -0.591 -17.246
  179    HE1  HIS  27           HE1      HIS  27  -5.784  -4.214 -17.779
  180    H    CYS  28           H        CYS  28  -1.520   1.279 -13.498
  181    HA   CYS  28           HA       CYS  28  -1.199  -0.086 -10.905
  182    HB2  CYS  28           1HB      CYS  28   0.822   0.996 -12.304
  183    HB3  CYS  28           2HB      CYS  28   0.290   2.429 -11.431
  184    H    PHE  29           H        PHE  29  -2.693   2.467 -12.622
  185    HA   PHE  29           HA       PHE  29  -3.662   3.630 -10.093
  186    HB2  PHE  29           1HB      PHE  29  -3.023   4.902 -12.737
  187    HB3  PHE  29           2HB      PHE  29  -4.179   5.655 -11.644
  188    HD1  PHE  29           HD2      PHE  29  -0.864   3.986 -11.226
  189    HD2  PHE  29           HD1      PHE  29  -3.274   7.420 -10.507
  190    HE1  PHE  29           HE2      PHE  29   0.992   5.025  -9.989
  191    HE2  PHE  29           HE1      PHE  29  -1.421   8.465  -9.269
  192    HZ   PHE  29           HZ       PHE  29   0.714   7.266  -9.008
  193    H    GLY  30           H        GLY  30  -4.488   2.248 -13.161
  194    HA2  GLY  30           1HA      GLY  30  -6.527   1.244 -13.705
  195    HA3  GLY  30           2HA      GLY  30  -7.259   2.033 -12.316
  196    H    VAL  31           H        VAL  31  -5.386   3.768 -14.707
  197    HA   VAL  31           HA       VAL  31  -7.811   5.250 -15.438
  198    HB   VAL  31           HB       VAL  31  -6.301   6.985 -16.290
  199   HG11  VAL  31          1HG1      VAL  31  -6.921   6.512 -13.723
  200   HG12  VAL  31          2HG1      VAL  31  -5.160   6.486 -13.612
  201   HG13  VAL  31          3HG1      VAL  31  -5.984   7.910 -14.251
  202   HG21  VAL  31          3HG2      VAL  31  -3.815   6.430 -15.285
  203   HG22  VAL  31          1HG2      VAL  31  -4.325   4.866 -15.919
  204   HG23  VAL  31          2HG2      VAL  31  -4.289   6.277 -16.977
  205    H    LYS  32           H        LYS  32  -5.205   3.329 -16.767
  206    HA   LYS  32           HA       LYS  32  -5.412   3.867 -19.465
  207    HB2  LYS  32           1HB      LYS  32  -3.674   2.426 -18.715
  208    HB3  LYS  32           2HB      LYS  32  -4.819   1.293 -18.011
  209    HG2  LYS  32           1HG      LYS  32  -5.308   0.323 -20.013
  210    HG3  LYS  32           2HG      LYS  32  -4.974   1.792 -20.933
  211    HD2  LYS  32           1HD      LYS  32  -2.744   0.386 -19.524
  212    HD3  LYS  32           2HD      LYS  32  -3.337  -0.238 -21.065
  213    HE2  LYS  32           1HE      LYS  32  -3.085   2.321 -21.744
  214    HE3  LYS  32           2HE      LYS  32  -1.882   2.276 -20.456
  215    HZ1  LYS  32           3HZ      LYS  32  -1.867   0.222 -22.568
  216    HZ2  LYS  32           1HZ      LYS  32  -0.591   0.765 -21.598
  217    HZ3  LYS  32           2HZ      LYS  32  -1.170   1.737 -22.855
  218    H    HIS  33           H        HIS  33  -6.737   3.261 -21.115
  219    HA   HIS  33           HA       HIS  33  -9.137   1.715 -20.383
  220    HB2  HIS  33           1HB      HIS  33  -9.421   4.223 -20.862
  221    HB3  HIS  33           2HB      HIS  33  -9.080   3.816 -22.541
  222    HD1  HIS  33           HD1      HIS  33 -11.075   3.294 -23.899
  223    HD2  HIS  33           HD2      HIS  33 -11.743   2.621 -19.854
  224    HE1  HIS  33           HE1      HIS  33 -13.494   2.630 -23.718
  225    H    SER  34           H        SER  34  -6.805   2.484 -22.914
  226    HA   SER  34           HA       SER  34  -7.854   0.436 -24.675
  227    HB2  SER  34           1HB      SER  34  -6.460   1.304 -26.314
  228    HB3  SER  34           2HB      SER  34  -6.735   2.730 -25.313
  229    HG   SER  34           HG       SER  34  -4.590   2.700 -25.467
  230    H    SER  35           H        SER  35  -6.885  -1.499 -25.173
  231    HA   SER  35           HA       SER  35  -5.242  -2.657 -23.138
  232    HB2  SER  35           1HB      SER  35  -6.142  -3.762 -25.809
  233    HB3  SER  35           2HB      SER  35  -5.353  -4.699 -24.540
  234    HG   SER  35           HG       SER  35  -7.945  -3.680 -24.661
  235    H    GLY  36           H        GLY  36  -4.742  -2.248 -26.652
  236    HA2  GLY  36           1HA      GLY  36  -1.894  -2.696 -26.332
  237    HA3  GLY  36           2HA      GLY  36  -2.746  -2.425 -27.845
  238    H    GLY  37           H        GLY  37  -1.107  -0.962 -28.501
  239    HA2  GLY  37           1HA      GLY  37  -1.656   1.751 -27.727
  240    HA3  GLY  37           2HA      GLY  37  -0.079   1.198 -27.185
  241    H    GLY  38           H        GLY  38   1.576   0.950 -28.649
  242    HA2  GLY  38           1HA      GLY  38   0.947   1.557 -31.465
  243    HA3  GLY  38           2HA      GLY  38   2.206   2.452 -30.626
  244    H    GLY  39           H        GLY  39   4.210   1.744 -30.915
  245    HA2  GLY  39           1HA      GLY  39   5.310  -0.677 -30.573
  246    HA3  GLY  39           2HA      GLY  39   4.633  -0.832 -32.187
  247    H    SER  40           H        SER  40   5.111   1.948 -32.897
  248    HA   SER  40           HA       SER  40   8.026   2.158 -32.829
  249    HB2  SER  40           1HB      SER  40   6.479   2.243 -35.427
  250    HB3  SER  40           2HB      SER  40   8.227   2.359 -35.229
  251    HG   SER  40           HG       SER  40   7.478   0.246 -35.842
  252    H    TYR  41           H        TYR  41   8.332   4.118 -32.008
  253    HA   TYR  41           HA       TYR  41   7.407   6.444 -33.382
  254    HB2  TYR  41           1HB      TYR  41   5.485   5.591 -31.787
  255    HB3  TYR  41           2HB      TYR  41   6.462   6.370 -30.547
  256    HD1  TYR  41           HD2      TYR  41   6.753   8.791 -30.529
  257    HD2  TYR  41           HD1      TYR  41   4.341   6.894 -33.477
  258    HE1  TYR  41           HE2      TYR  41   5.766  10.967 -31.113
  259    HE2  TYR  41           HE1      TYR  41   3.349   9.065 -34.070
  260    HH   TYR  41           HH       TYR  41   3.300  11.612 -32.288
  261    H    HIS  42           H        HIS  42   8.265   8.433 -32.448
  262    HA   HIS  42           HA       HIS  42  10.803   7.920 -31.096
  263    HB2  HIS  42           1HB      HIS  42   9.719  10.219 -32.700
  264    HB3  HIS  42           2HB      HIS  42  11.140  10.424 -31.680
  265    HD1  HIS  42           HD1      HIS  42  12.369   7.573 -32.331
  266    HD2  HIS  42           HD2      HIS  42  11.060  10.373 -35.107
  267    HE1  HIS  42           HE1      HIS  42  13.601   7.038 -34.457
  268    H    CYS  43           H        CYS  43   8.507   7.681 -29.495
  269    HA   CYS  43           HA       CYS  43   7.800   9.985 -28.075
  270    HB2  CYS  43           1HB      CYS  43   6.909   8.514 -26.402
  271    HB3  CYS  43           2HB      CYS  43   6.636   7.763 -27.971
  272    H1   NAG 101           H1       NAG 100   5.281  19.603 -21.203
  273    H2   NAG 101           HC2      NAG 100   7.239  19.886 -18.856
  274    H3   NAG 101           HC3      NAG 100   6.101  21.979 -20.799
  275    H4   NAG 101           HC4      NAG 100   8.929  20.778 -20.637
  276    H5   NAG 101           H5       NAG 100   6.663  20.329 -22.661
  277    H61  NAG 101           1H6      NAG 100   8.942  20.473 -23.705
  278    H62  NAG 101           2H6      NAG 100   9.552  19.275 -22.554
  279    H81  NAG 101           3H8      NAG 100   3.715  21.368 -16.663
  280    H82  NAG 101           1H8      NAG 100   2.914  19.849 -17.188
  281    H83  NAG 101           2H8      NAG 100   3.940  19.859 -15.714
  282    HN2  NAG 101           H2       NAG 100   4.658  21.341 -18.987
  283    HO3  NAG 101           H3       NAG 100   7.756  23.287 -19.786
  284    HO4  NAG 101           H4       NAG 100   9.392  22.167 -22.259
  285    HO6  NAG 101           HO6      NAG 100   7.595  17.935 -23.420
  286    H1   NAG 102           H1       NAG 200   7.368   5.002 -25.671
  287    H2   NAG 102           HC2      NAG 200   6.207   3.422 -28.033
  288    H3   NAG 102           HC3      NAG 200   6.568   2.659 -25.076
  289    H4   NAG 102           HC4      NAG 200   8.116   1.702 -27.558
  290    H5   NAG 102           H5       NAG 200   8.931   3.599 -25.283
  291    H61  NAG 102           1H6      NAG 200  10.755   2.031 -26.000
  292    H62  NAG 102           2H6      NAG 200  10.499   2.492 -27.689
  293    H81  NAG 102           3H8      NAG 200   2.894   5.802 -25.965
  294    H82  NAG 102           1H8      NAG 200   2.398   6.015 -27.677
  295    H83  NAG 102           2H8      NAG 200   2.096   4.454 -26.843
  296    HN2  NAG 102           H2       NAG 200   4.655   4.024 -25.577
  297    HO3  NAG 102           H3       NAG 200   6.013   0.552 -25.928
  298    HO4  NAG 102           H4       NAG 200   9.172   0.408 -26.149
  299    HO6  NAG 102           HO6      NAG 200  10.809   4.817 -26.754
  Start of MODEL   13
    1    H1   LYS   1           H        LYS   1   1.401  -1.738  -3.143
    2    HA   LYS   1           HA       LYS   1   2.366  -1.984  -5.423
    3    HB2  LYS   1           1HB      LYS   1   2.112   0.688  -4.108
    4    HB3  LYS   1           2HB      LYS   1   2.741   0.607  -5.748
    5    HG2  LYS   1           1HG      LYS   1   0.648  -0.780  -6.270
    6    HG3  LYS   1           2HG      LYS   1   0.031  -0.164  -4.736
    7    HD2  LYS   1           1HD      LYS   1   0.821   2.144  -5.773
    8    HD3  LYS   1           2HD      LYS   1   0.576   1.267  -7.285
    9    HE2  LYS   1           1HE      LYS   1  -1.707   0.616  -6.237
   10    HE3  LYS   1           2HE      LYS   1  -1.412   1.983  -5.164
   11    HZ1  LYS   1           3HZ      LYS   1  -1.105   3.356  -7.199
   12    HZ2  LYS   1           1HZ      LYS   1  -2.674   2.755  -7.001
   13    HZ3  LYS   1           2HZ      LYS   1  -1.629   2.038  -8.121
   14    HA   PRO   2           HA       PRO   2   6.733  -1.904  -5.839
   15    HB2  PRO   2           1HB      PRO   2   7.062  -0.840  -8.315
   16    HB3  PRO   2           2HB      PRO   2   6.438  -2.472  -8.045
   17    HG2  PRO   2           1HG      PRO   2   4.943   0.055  -8.632
   18    HG3  PRO   2           2HG      PRO   2   4.694  -1.571  -9.293
   19    HD2  PRO   2           1HD      PRO   2   3.155  -0.552  -7.311
   20    HD3  PRO   2           2HD      PRO   2   3.528  -2.284  -7.436
   21    H    ALA   3           H        ALA   3   8.479  -0.259  -6.988
   22    HA   ALA   3           HA       ALA   3   8.320   2.125  -5.328
   23    HB1  ALA   3           1HB      ALA   3  10.609   1.217  -7.064
   24    HB2  ALA   3           2HB      ALA   3  10.656   2.402  -5.757
   25    HB3  ALA   3           3HB      ALA   3  10.367   0.700  -5.395
   26    H    TRP   4           H        TRP   4   7.002   1.505  -8.130
   27    HA   TRP   4           HA       TRP   4   7.889   3.953  -9.488
   28    HB2  TRP   4           1HB      TRP   4   5.952   2.194 -10.853
   29    HB3  TRP   4           2HB      TRP   4   7.411   2.964 -11.472
   30    HD1  TRP   4           HD1      TRP   4   9.676   1.663  -9.869
   31    HE1  TRP   4           HE1      TRP   4  10.176  -0.857 -10.025
   32    HE3  TRP   4           HE3      TRP   4   5.134   0.037 -11.561
   33    HZ2  TRP   4           HZ2      TRP   4   8.825  -3.221 -10.768
   34    HZ3  TRP   4           HZ3      TRP   4   4.821  -2.369 -11.970
   35    HH2  TRP   4           HH2      TRP   4   6.629  -3.963 -11.582
   36    H    CYS   5           H        CYS   5   4.916   2.222  -8.574
   37    HA   CYS   5           HA       CYS   5   3.313   4.591  -9.057
   38    HB2  CYS   5           1HB      CYS   5   2.363   2.020  -7.801
   39    HB3  CYS   5           2HB      CYS   5   1.418   3.217  -8.680
   40    H    TRP   6           H        TRP   6   1.427   4.508  -7.095
   41    HA   TRP   6           HA       TRP   6   2.667   4.539  -4.490
   42    HB2  TRP   6           1HB      TRP   6   2.951   6.846  -5.922
   43    HB3  TRP   6           2HB      TRP   6   1.440   7.154  -5.071
   44    HD1  TRP   6           HD1      TRP   6   5.122   7.262  -4.600
   45    HE1  TRP   6           HE1      TRP   6   5.692   7.776  -2.143
   46    HE3  TRP   6           HE3      TRP   6   0.499   6.567  -2.531
   47    HZ2  TRP   6           HZ2      TRP   6   4.359   7.873   0.343
   48    HZ3  TRP   6           HZ3      TRP   6   0.231   6.890  -0.107
   49    HH2  TRP   6           HH2      TRP   6   2.122   7.529   1.299
   50    H    TYR   7           H        TYR   7  -0.121   5.402  -6.484
   51    HA   TYR   7           HA       TYR   7  -1.946   3.900  -4.990
   52    HB2  TYR   7           1HB      TYR   7  -1.304   6.146  -3.582
   53    HB3  TYR   7           2HB      TYR   7  -2.703   6.703  -4.492
   54    HD1  TYR   7           HD2      TYR   7  -1.768   3.549  -2.702
   55    HD2  TYR   7           HD1      TYR   7  -4.658   6.617  -3.286
   56    HE1  TYR   7           HE2      TYR   7  -3.253   2.452  -1.077
   57    HE2  TYR   7           HE1      TYR   7  -6.150   5.528  -1.662
   58    HH   TYR   7           HH       TYR   7  -6.486   3.172  -0.763
   59    H    THR   8           H        THR   8  -4.306   5.218  -5.356
   60    HA   THR   8           HA       THR   8  -4.444   5.347  -8.276
   61    HB   THR   8           HB       THR   8  -6.835   5.325  -6.453
   62    HG1  THR   8           HG1      THR   8  -6.474   3.298  -5.967
   63   HG21  THR   8          3HG2      THR   8  -7.996   5.042  -8.340
   64   HG22  THR   8          1HG2      THR   8  -6.930   3.746  -8.881
   65   HG23  THR   8          2HG2      THR   8  -6.513   5.428  -9.213
   66    H    LEU   9           H        LEU   9  -3.518   7.571  -6.487
   67    HA   LEU   9           HA       LEU   9  -5.471   9.587  -6.349
   68    HB2  LEU   9           1HB      LEU   9  -2.478   9.590  -6.381
   69    HB3  LEU   9           2HB      LEU   9  -3.375  11.107  -6.407
   70    HG   LEU   9           HG       LEU   9  -3.492   9.011  -4.239
   71   HD11  LEU   9          1HD1      LEU   9  -1.815  11.355  -4.690
   72   HD12  LEU   9          2HD1      LEU   9  -1.604  10.003  -3.579
   73   HD13  LEU   9          3HD1      LEU   9  -2.635  11.361  -3.128
   74   HD21  LEU   9          3HD2      LEU   9  -5.630  10.060  -4.399
   75   HD22  LEU   9          1HD2      LEU   9  -4.898  11.657  -4.557
   76   HD23  LEU   9          2HD2      LEU   9  -4.782  10.782  -3.030
   77    H    ALA  10           H        ALA  10  -3.266   8.614  -8.905
   78    HA   ALA  10           HA       ALA  10  -3.194   9.113 -11.125
   79    HB1  ALA  10           1HB      ALA  10  -5.166   9.567 -12.235
   80    HB2  ALA  10           2HB      ALA  10  -5.753   8.848 -10.734
   81    HB3  ALA  10           3HB      ALA  10  -5.779  10.599 -10.942
   82    H    MET  11           H        MET  11  -1.506  10.620 -10.031
   83    HA   MET  11           HA       MET  11  -2.011  13.396  -9.892
   84    HB2  MET  11           1HB      MET  11   0.579  11.884 -10.265
   85    HB3  MET  11           2HB      MET  11   0.476  13.608  -9.932
   86    HG2  MET  11           1HG      MET  11  -0.196  13.291  -7.762
   87    HG3  MET  11           2HG      MET  11  -0.863  11.694  -8.090
   88    HE1  MET  11           3HE      MET  11   1.751   9.251  -7.490
   89    HE2  MET  11           1HE      MET  11   0.555   9.875  -6.353
   90    HE3  MET  11           2HE      MET  11   0.135   9.679  -8.055
   91    H    CYS  12           H        CYS  12   0.026  11.688 -12.274
   92    HA   CYS  12           HA       CYS  12   0.250  13.742 -14.105
   93    HB2  CYS  12           1HB      CYS  12   0.962  12.115 -15.690
   94    HB3  CYS  12           2HB      CYS  12   1.471  11.522 -14.112
   95    H    GLY  13           H        GLY  13  -0.778  14.130 -16.150
   96    HA2  GLY  13           1HA      GLY  13  -2.563  13.963 -17.682
   97    HA3  GLY  13           2HA      GLY  13  -3.444  12.988 -16.516
   98    H    ALA  14           H        ALA  14  -2.796  14.997 -14.377
   99    HA   ALA  14           HA       ALA  14  -4.912  16.907 -15.094
  100    HB1  ALA  14           1HB      ALA  14  -5.164  17.220 -12.643
  101    HB2  ALA  14           2HB      ALA  14  -5.480  15.571 -13.183
  102    HB3  ALA  14           3HB      ALA  14  -3.950  15.963 -12.399
  103    H    GLY  15           H        GLY  15  -2.017  17.129 -15.770
  104    HA2  GLY  15           1HA      GLY  15  -0.965  19.261 -16.119
  105    HA3  GLY  15           2HA      GLY  15  -1.607  19.786 -14.570
  106    H    TYR  16           H        TYR  16  -0.754  17.006 -13.545
  107    HA   TYR  16           HA       TYR  16   1.607  17.807 -12.288
  108    HB2  TYR  16           1HB      TYR  16   0.061  15.306 -12.520
  109    HB3  TYR  16           2HB      TYR  16   1.767  15.094 -12.142
  110    HD1  TYR  16           HD2      TYR  16  -1.393  16.610 -10.985
  111    HD2  TYR  16           HD1      TYR  16   2.633  15.654  -9.993
  112    HE1  TYR  16           HE2      TYR  16  -1.859  17.121  -8.625
  113    HE2  TYR  16           HE1      TYR  16   2.177  16.162  -7.630
  114    HH   TYR  16           HH       TYR  16  -1.057  17.169  -6.558
  115    H    ASP  17           H        ASP  17   1.064  16.196 -15.330
  116    HA   ASP  17           HA       ASP  17   3.974  16.187 -15.789
  117    HB2  ASP  17           1HB      ASP  17   1.953  14.149 -16.747
  118    HB3  ASP  17           2HB      ASP  17   3.642  14.199 -17.245
  119    H    SER  18           H        SER  18   4.166  15.694 -18.391
  120    HA   SER  18           HA       SER  18   3.081  18.103 -19.572
  121    HB2  SER  18           1HB      SER  18   5.060  16.029 -20.507
  122    HB3  SER  18           2HB      SER  18   4.468  17.298 -21.579
  123    H    GLY  19           H        GLY  19   0.863  17.227 -19.342
  124    HA2  GLY  19           1HA      GLY  19  -0.178  15.123 -18.897
  125    HA3  GLY  19           2HA      GLY  19  -0.652  15.530 -20.539
  126    H    THR  20           H        THR  20   1.766  13.771 -18.646
  127    HA   THR  20           HA       THR  20   1.740  11.643 -20.620
  128    HB   THR  20           HB       THR  20   3.544  13.246 -21.352
  129    HG1  THR  20           HG1      THR  20   4.899  11.557 -21.850
  130   HG21  THR  20          3HG2      THR  20   4.297  13.909 -19.102
  131   HG22  THR  20          1HG2      THR  20   5.624  13.292 -20.086
  132   HG23  THR  20          2HG2      THR  20   4.906  12.276 -18.836
  133    H    CYS  21           H        CYS  21   2.125   9.667 -19.745
  134    HA   CYS  21           HA       CYS  21   3.118   9.563 -16.978
  135    HB2  CYS  21           1HB      CYS  21   0.862   7.831 -17.987
  136    HB3  CYS  21           2HB      CYS  21   1.416   8.026 -16.328
  137    H    ASP  22           H        ASP  22   3.158   6.929 -16.506
  138    HA   ASP  22           HA       ASP  22   4.312   5.500 -18.744
  139    HB2  ASP  22           1HB      ASP  22   5.965   6.861 -16.785
  140    HB3  ASP  22           2HB      ASP  22   6.269   5.126 -16.789
  141    H    TYR  23           H        TYR  23   4.763   5.160 -15.238
  142    HA   TYR  23           HA       TYR  23   4.158   2.406 -15.241
  143    HB2  TYR  23           1HB      TYR  23   3.961   4.210 -12.833
  144    HB3  TYR  23           2HB      TYR  23   4.371   2.499 -12.876
  145    HD1  TYR  23           HD2      TYR  23   6.492   2.089 -14.596
  146    HD2  TYR  23           HD1      TYR  23   5.721   5.587 -12.300
  147    HE1  TYR  23           HE2      TYR  23   8.882   2.660 -14.675
  148    HE2  TYR  23           HE1      TYR  23   8.109   6.169 -12.374
  149    HH   TYR  23           HH       TYR  23  10.403   4.484 -12.762
  150    H    MET  24           H        MET  24   2.181   5.235 -15.014
  151    HA   MET  24           HA       MET  24  -0.074   4.136 -13.740
  152    HB2  MET  24           1HB      MET  24   0.268   6.434 -15.658
  153    HB3  MET  24           2HB      MET  24  -1.302   6.001 -14.992
  154    HG2  MET  24           1HG      MET  24  -0.659   7.603 -13.511
  155    HG3  MET  24           2HG      MET  24  -0.028   6.166 -12.710
  156    HE1  MET  24           3HE      MET  24   2.271   5.408 -12.648
  157    HE2  MET  24           1HE      MET  24   3.639   6.522 -12.610
  158    HE3  MET  24           2HE      MET  24   2.323   6.701 -11.449
  159    H    TYR  25           H        TYR  25   0.829   4.352 -17.159
  160    HA   TYR  25           HA       TYR  25  -1.561   3.223 -18.170
  161    HB2  TYR  25           1HB      TYR  25   1.197   3.626 -19.287
  162    HB3  TYR  25           2HB      TYR  25  -0.007   2.716 -20.192
  163    HD1  TYR  25           HD1      TYR  25  -0.019   5.892 -18.207
  164    HD2  TYR  25           HD2      TYR  25  -0.981   3.950 -21.869
  165    HE1  TYR  25           HE1      TYR  25  -0.949   7.998 -19.073
  166    HE2  TYR  25           HE2      TYR  25  -1.913   6.051 -22.745
  167    HH   TYR  25           HH       TYR  25  -1.418   9.053 -21.233
  168    H    SER  26           H        SER  26   0.937   1.860 -16.402
  169    HA   SER  26           HA       SER  26   0.799  -0.773 -17.608
  170    HB2  SER  26           1HB      SER  26   2.856   0.365 -16.452
  171    HB3  SER  26           2HB      SER  26   2.111  -0.223 -14.966
  172    HG   SER  26           HG       SER  26   3.476  -1.813 -15.676
  173    H    HIS  27           H        HIS  27  -1.628   0.419 -16.476
  174    HA   HIS  27           HA       HIS  27  -3.421  -0.148 -15.192
  175    HB2  HIS  27           1HB      HIS  27  -2.041  -2.758 -15.670
  176    HB3  HIS  27           2HB      HIS  27  -3.409  -2.708 -14.562
  177    HD1  HIS  27           HD1      HIS  27  -3.437  -4.223 -17.308
  178    HD2  HIS  27           HD2      HIS  27  -4.989  -0.429 -16.634
  179    HE1  HIS  27           HE1      HIS  27  -5.162  -3.873 -19.105
  180    H    CYS  28           H        CYS  28  -1.704   1.197 -13.705
  181    HA   CYS  28           HA       CYS  28  -1.502  -0.316 -11.184
  182    HB2  CYS  28           1HB      CYS  28   0.594   0.757 -12.480
  183    HB3  CYS  28           2HB      CYS  28   0.101   2.157 -11.534
  184    H    PHE  29           H        PHE  29  -2.882   2.356 -12.793
  185    HA   PHE  29           HA       PHE  29  -3.832   3.450 -10.227
  186    HB2  PHE  29           1HB      PHE  29  -3.154   4.803 -12.823
  187    HB3  PHE  29           2HB      PHE  29  -4.273   5.551 -11.688
  188    HD1  PHE  29           HD2      PHE  29  -1.015   3.751 -11.378
  189    HD2  PHE  29           HD1      PHE  29  -3.298   7.229 -10.480
  190    HE1  PHE  29           HE2      PHE  29   0.887   4.669 -10.116
  191    HE2  PHE  29           HE1      PHE  29  -1.399   8.153  -9.217
  192    HZ   PHE  29           HZ       PHE  29   0.697   6.873  -9.035
  193    H    GLY  30           H        GLY  30  -4.682   2.180 -13.330
  194    HA2  GLY  30           1HA      GLY  30  -6.744   1.277 -13.938
  195    HA3  GLY  30           2HA      GLY  30  -7.460   2.016 -12.513
  196    H    VAL  31           H        VAL  31  -5.539   3.813 -14.819
  197    HA   VAL  31           HA       VAL  31  -7.928   5.384 -15.485
  198    HB   VAL  31           HB       VAL  31  -6.333   7.107 -16.283
  199   HG11  VAL  31          1HG1      VAL  31  -5.636   7.855 -14.102
  200   HG12  VAL  31          2HG1      VAL  31  -7.225   7.097 -13.971
  201   HG13  VAL  31          3HG1      VAL  31  -5.783   6.222 -13.454
  202   HG21  VAL  31          3HG2      VAL  31  -4.473   5.646 -16.872
  203   HG22  VAL  31          1HG2      VAL  31  -3.955   6.885 -15.729
  204   HG23  VAL  31          2HG2      VAL  31  -4.241   5.236 -15.172
  205    H    LYS  32           H        LYS  32  -5.334   3.498 -16.892
  206    HA   LYS  32           HA       LYS  32  -5.511   4.175 -19.559
  207    HB2  LYS  32           1HB      LYS  32  -3.800   2.674 -18.884
  208    HB3  LYS  32           2HB      LYS  32  -4.961   1.528 -18.228
  209    HG2  LYS  32           1HG      LYS  32  -5.492   0.674 -20.282
  210    HG3  LYS  32           2HG      LYS  32  -5.073   2.164 -21.131
  211    HD2  LYS  32           1HD      LYS  32  -2.923   0.632 -19.742
  212    HD3  LYS  32           2HD      LYS  32  -3.531   0.044 -21.291
  213    HE2  LYS  32           1HE      LYS  32  -3.180   2.642 -21.888
  214    HE3  LYS  32           2HE      LYS  32  -1.929   2.445 -20.661
  215    HZ1  LYS  32           3HZ      LYS  32  -1.484   1.931 -23.190
  216    HZ2  LYS  32           1HZ      LYS  32  -2.100   0.416 -22.758
  217    HZ3  LYS  32           2HZ      LYS  32  -0.742   1.035 -21.962
  218    H    HIS  33           H        HIS  33  -6.724   3.463 -21.312
  219    HA   HIS  33           HA       HIS  33  -9.247   2.104 -20.624
  220    HB2  HIS  33           1HB      HIS  33  -8.694   4.447 -22.409
  221    HB3  HIS  33           2HB      HIS  33 -10.072   3.403 -22.743
  222    HD1  HIS  33           HD1      HIS  33 -11.428   2.963 -20.203
  223    HD2  HIS  33           HD2      HIS  33  -9.556   6.581 -21.017
  224    HE1  HIS  33           HE1      HIS  33 -12.505   4.638 -18.666
  225    H    SER  34           H        SER  34  -6.804   2.615 -23.131
  226    HA   SER  34           HA       SER  34  -7.849   0.395 -24.696
  227    HB2  SER  34           1HB      SER  34  -5.304   1.831 -25.365
  228    HB3  SER  34           2HB      SER  34  -6.515   1.142 -26.447
  229    HG   SER  34           HG       SER  34  -7.433   3.019 -26.490
  230    H    SER  35           H        SER  35  -6.461  -1.365 -25.384
  231    HA   SER  35           HA       SER  35  -4.918  -2.396 -23.168
  232    HB2  SER  35           1HB      SER  35  -6.530  -3.786 -24.528
  233    HB3  SER  35           2HB      SER  35  -5.379  -3.694 -25.861
  234    HG   SER  35           HG       SER  35  -3.870  -4.486 -24.031
  235    H    GLY  36           H        GLY  36  -4.333  -1.034 -26.322
  236    HA2  GLY  36           1HA      GLY  36  -2.363  -0.233 -27.222
  237    HA3  GLY  36           2HA      GLY  36  -1.547  -0.701 -25.738
  238    H    GLY  37           H        GLY  37   0.072  -2.043 -26.149
  239    HA2  GLY  37           1HA      GLY  37  -0.079  -3.811 -28.472
  240    HA3  GLY  37           2HA      GLY  37   1.360  -3.460 -27.526
  241    H    GLY  38           H        GLY  38   1.803  -4.654 -25.674
  242    HA2  GLY  38           1HA      GLY  38  -0.065  -6.634 -24.717
  243    HA3  GLY  38           2HA      GLY  38   1.280  -7.316 -25.620
  244    H    GLY  39           H        GLY  39   0.388  -7.296 -22.682
  245    HA2  GLY  39           1HA      GLY  39   2.914  -7.538 -21.524
  246    HA3  GLY  39           2HA      GLY  39   2.350  -5.907 -21.195
  247    H    SER  40           H        SER  40   0.357  -8.809 -21.412
  248    HA   SER  40           HA       SER  40  -0.851  -8.221 -18.874
  249    HB2  SER  40           1HB      SER  40  -1.204 -10.573 -20.748
  250    HB3  SER  40           2HB      SER  40  -2.190 -10.271 -19.318
  251    HG   SER  40           HG       SER  40  -3.170  -9.461 -21.220
  252    H    TYR  41           H        TYR  41  -0.843  -9.535 -17.017
  253    HA   TYR  41           HA       TYR  41   1.247 -11.588 -16.872
  254    HB2  TYR  41           1HB      TYR  41   1.874  -9.174 -15.985
  255    HB3  TYR  41           2HB      TYR  41   0.964  -9.701 -14.574
  256    HD1  TYR  41           HD2      TYR  41   1.792 -11.494 -13.156
  257    HD2  TYR  41           HD1      TYR  41   3.991 -10.213 -16.565
  258    HE1  TYR  41           HE2      TYR  41   3.771 -12.693 -12.322
  259    HE2  TYR  41           HE1      TYR  41   5.976 -11.410 -15.742
  260    HH   TYR  41           HH       TYR  41   6.789 -12.776 -14.188
  261    H    HIS  42           H        HIS  42   1.052 -12.972 -14.957
  262    HA   HIS  42           HA       HIS  42  -1.763 -13.430 -14.325
  263    HB2  HIS  42           1HB      HIS  42   0.715 -15.121 -14.183
  264    HB3  HIS  42           2HB      HIS  42  -0.733 -15.583 -13.292
  265    HD1  HIS  42           HD1      HIS  42  -0.910 -14.048 -16.715
  266    HD2  HIS  42           HD2      HIS  42  -1.306 -17.766 -14.904
  267    HE1  HIS  42           HE1      HIS  42  -1.857 -15.561 -18.487
  268    H    CYS  43           H        CYS  43  -0.567 -11.212 -13.073
  269    HA   CYS  43           HA       CYS  43  -0.362 -12.128 -10.279
  270    HB2  CYS  43           1HB      CYS  43   1.023  -9.972 -11.792
  271    HB3  CYS  43           2HB      CYS  43   0.634  -9.653 -10.105
  272    H1   NAG 101           H1       NAG 100   5.494  19.473 -21.191
  273    H2   NAG 101           HC2      NAG 100   7.248  19.825 -18.696
  274    H3   NAG 101           HC3      NAG 100   6.247  21.867 -20.764
  275    H4   NAG 101           HC4      NAG 100   9.068  20.710 -20.348
  276    H5   NAG 101           H5       NAG 100   6.983  20.193 -22.543
  277    H61  NAG 101           1H6      NAG 100   9.338  20.352 -23.397
  278    H62  NAG 101           2H6      NAG 100   9.867  19.183 -22.178
  279    H81  NAG 101           3H8      NAG 100   3.736  21.213 -16.440
  280    H82  NAG 101           1H8      NAG 100   2.811  20.162 -17.564
  281    H83  NAG 101           2H8      NAG 100   3.490  19.477 -16.050
  282    HN2  NAG 101           H2       NAG 100   4.667  21.240 -19.066
  283    HO3  NAG 101           H3       NAG 100   7.795  23.216 -19.643
  284    HO4  NAG 101           H4       NAG 100   9.644  22.078 -21.952
  285    HO6  NAG 101           HO6      NAG 100   8.005  17.800 -23.178
  286    H1   NAG 102           H1       NAG 200   3.898 -11.263  -9.094
  287    H2   NAG 102           HC2      NAG 200   3.094  -8.869  -7.350
  288    H3   NAG 102           HC3      NAG 200   5.325 -10.956  -7.008
  289    H4   NAG 102           HC4      NAG 200   2.680 -10.635  -5.471
  290    H5   NAG 102           H5       NAG 200   3.556 -12.709  -7.560
  291    H61  NAG 102           1H6      NAG 200   2.238 -13.680  -5.657
  292    H62  NAG 102           2H6      NAG 200   0.988 -12.448  -5.884
  293    H81  NAG 102           3H8      NAG 200   5.217  -6.633 -10.847
  294    H82  NAG 102           1H8      NAG 200   5.819  -5.950  -9.299
  295    H83  NAG 102           2H8      NAG 200   6.504  -7.486  -9.929
  296    HN2  NAG 102           H2       NAG 200   5.796  -9.163  -8.538
  297    HO3  NAG 102           H3       NAG 200   5.438  -9.957  -4.896
  298    HO4  NAG 102           H4       NAG 200   3.409 -12.311  -4.272
  299    HO6  NAG 102           HO6      NAG 200   1.041 -13.310  -8.258
  Start of MODEL   14
    1    H1   LYS   1           H        LYS   1   2.124  -1.276  -2.900
    2    HA   LYS   1           HA       LYS   1   2.258  -1.978  -5.731
    3    HB2  LYS   1           1HB      LYS   1   2.224   0.644  -4.247
    4    HB3  LYS   1           2HB      LYS   1   2.588   0.552  -5.965
    5    HG2  LYS   1           1HG      LYS   1   0.446   0.020  -6.535
    6    HG3  LYS   1           2HG      LYS   1   0.111  -0.764  -4.990
    7    HD2  LYS   1           1HD      LYS   1   0.475   2.211  -5.319
    8    HD3  LYS   1           2HD      LYS   1  -1.095   1.403  -5.355
    9    HE2  LYS   1           1HE      LYS   1   0.341   0.515  -3.058
   10    HE3  LYS   1           2HE      LYS   1   0.390   2.277  -3.105
   11    HZ1  LYS   1           3HZ      LYS   1  -1.578   1.979  -2.046
   12    HZ2  LYS   1           1HZ      LYS   1  -1.897   0.489  -2.780
   13    HZ3  LYS   1           2HZ      LYS   1  -2.153   1.925  -3.636
   14    HA   PRO   2           HA       PRO   2   6.638  -2.030  -6.011
   15    HB2  PRO   2           1HB      PRO   2   7.046  -0.900  -8.445
   16    HB3  PRO   2           2HB      PRO   2   6.380  -2.524  -8.240
   17    HG2  PRO   2           1HG      PRO   2   4.956   0.054  -8.781
   18    HG3  PRO   2           2HG      PRO   2   4.685  -1.546  -9.497
   19    HD2  PRO   2           1HD      PRO   2   3.125  -0.551  -7.520
   20    HD3  PRO   2           2HD      PRO   2   3.461  -2.286  -7.690
   21    H    ALA   3           H        ALA   3   8.441  -0.385  -7.084
   22    HA   ALA   3           HA       ALA   3   8.305   1.944  -5.348
   23    HB1  ALA   3           1HB      ALA   3  10.320   0.446  -5.469
   24    HB2  ALA   3           2HB      ALA   3  10.613   1.095  -7.083
   25    HB3  ALA   3           3HB      ALA   3  10.644   2.167  -5.683
   26    H    TRP   4           H        TRP   4   7.000   1.459  -8.173
   27    HA   TRP   4           HA       TRP   4   7.960   3.936  -9.430
   28    HB2  TRP   4           1HB      TRP   4   6.042   2.258 -10.913
   29    HB3  TRP   4           2HB      TRP   4   7.533   3.023 -11.459
   30    HD1  TRP   4           HD1      TRP   4   9.729   1.624  -9.852
   31    HE1  TRP   4           HE1      TRP   4  10.188  -0.899 -10.082
   32    HE3  TRP   4           HE3      TRP   4   5.202   0.140 -11.705
   33    HZ2  TRP   4           HZ2      TRP   4   8.813  -3.211 -10.936
   34    HZ3  TRP   4           HZ3      TRP   4   4.855  -2.244 -12.203
   35    HH2  TRP   4           HH2      TRP   4   6.624  -3.883 -11.826
   36    H    CYS   5           H        CYS   5   4.989   2.221  -8.518
   37    HA   CYS   5           HA       CYS   5   3.367   4.563  -9.051
   38    HB2  CYS   5           1HB      CYS   5   2.458   2.026  -7.699
   39    HB3  CYS   5           2HB      CYS   5   1.485   3.192  -8.591
   40    H    TRP   6           H        TRP   6   1.511   4.547  -7.065
   41    HA   TRP   6           HA       TRP   6   2.780   4.668  -4.478
   42    HB2  TRP   6           1HB      TRP   6   2.995   6.938  -6.021
   43    HB3  TRP   6           2HB      TRP   6   1.548   7.261  -5.070
   44    HD1  TRP   6           HD1      TRP   6   5.286   7.223  -4.837
   45    HE1  TRP   6           HE1      TRP   6   6.016   7.848  -2.449
   46    HE3  TRP   6           HE3      TRP   6   0.747   6.945  -2.500
   47    HZ2  TRP   6           HZ2      TRP   6   4.826   8.180   0.089
   48    HZ3  TRP   6           HZ3      TRP   6   0.629   7.431  -0.091
   49    HH2  TRP   6           HH2      TRP   6   2.628   8.035   1.175
   50    H    TYR   7           H        TYR   7  -0.036   5.646  -6.408
   51    HA   TYR   7           HA       TYR   7  -1.838   4.154  -4.808
   52    HB2  TYR   7           1HB      TYR   7  -1.192   6.526  -3.618
   53    HB3  TYR   7           2HB      TYR   7  -2.613   6.982  -4.552
   54    HD1  TYR   7           HD2      TYR   7  -1.600   4.033  -2.478
   55    HD2  TYR   7           HD1      TYR   7  -4.559   6.970  -3.330
   56    HE1  TYR   7           HE2      TYR   7  -3.047   3.072  -0.736
   57    HE2  TYR   7           HE1      TYR   7  -6.014   6.018  -1.590
   58    HH   TYR   7           HH       TYR   7  -4.982   3.211   0.333
   59    H    THR   8           H        THR   8  -4.204   5.452  -5.267
   60    HA   THR   8           HA       THR   8  -4.332   5.407  -8.201
   61    HB   THR   8           HB       THR   8  -6.725   5.242  -6.385
   62    HG1  THR   8           HG1      THR   8  -6.308   3.187  -5.975
   63   HG21  THR   8          3HG2      THR   8  -6.857   3.593  -8.697
   64   HG22  THR   8          1HG2      THR   8  -6.293   5.187  -9.196
   65   HG23  THR   8          2HG2      THR   8  -7.812   5.025  -8.316
   66    H    LEU   9           H        LEU   9  -3.540   7.746  -6.572
   67    HA   LEU   9           HA       LEU   9  -5.692   9.605  -6.528
   68    HB2  LEU   9           1HB      LEU   9  -2.771   9.680  -6.112
   69    HB3  LEU   9           2HB      LEU   9  -3.522  11.195  -6.608
   70    HG   LEU   9           HG       LEU   9  -4.907   9.879  -4.396
   71   HD11  LEU   9          1HD1      LEU   9  -3.287  10.135  -2.723
   72   HD12  LEU   9          2HD1      LEU   9  -2.198  11.020  -3.790
   73   HD13  LEU   9          3HD1      LEU   9  -2.455   9.292  -4.030
   74   HD21  LEU   9          3HD2      LEU   9  -3.790  12.628  -4.917
   75   HD22  LEU   9          1HD2      LEU   9  -4.676  12.184  -3.459
   76   HD23  LEU   9          2HD2      LEU   9  -5.472  12.110  -5.031
   77    H    ALA  10           H        ALA  10  -3.395   8.600  -8.938
   78    HA   ALA  10           HA       ALA  10  -3.204   9.061 -11.160
   79    HB1  ALA  10           1HB      ALA  10  -5.757  10.610 -11.125
   80    HB2  ALA  10           2HB      ALA  10  -5.116   9.526 -12.360
   81    HB3  ALA  10           3HB      ALA  10  -5.785   8.865 -10.868
   82    H    MET  11           H        MET  11  -1.538  10.559 -10.004
   83    HA   MET  11           HA       MET  11  -1.928  13.323  -9.859
   84    HB2  MET  11           1HB      MET  11   0.563  11.687 -10.331
   85    HB3  MET  11           2HB      MET  11   0.593  13.431 -10.111
   86    HG2  MET  11           1HG      MET  11  -0.193  13.261  -7.892
   87    HG3  MET  11           2HG      MET  11  -0.622  11.565  -8.099
   88    HE1  MET  11           3HE      MET  11   2.741   9.850  -8.548
   89    HE2  MET  11           1HE      MET  11   1.478   9.515  -7.363
   90    HE3  MET  11           2HE      MET  11   1.043   9.944  -9.017
   91    H    CYS  12           H        CYS  12   0.017  11.689 -12.362
   92    HA   CYS  12           HA       CYS  12   0.131  13.792 -14.148
   93    HB2  CYS  12           1HB      CYS  12   0.808  12.211 -15.805
   94    HB3  CYS  12           2HB      CYS  12   1.417  11.623 -14.261
   95    H    GLY  13           H        GLY  13  -0.943  14.092 -16.226
   96    HA2  GLY  13           1HA      GLY  13  -2.787  13.884 -17.682
   97    HA3  GLY  13           2HA      GLY  13  -3.628  12.958 -16.448
   98    H    ALA  14           H        ALA  14  -2.838  15.076 -14.435
   99    HA   ALA  14           HA       ALA  14  -4.951  16.995 -15.160
  100    HB1  ALA  14           1HB      ALA  14  -5.217  17.342 -12.720
  101    HB2  ALA  14           2HB      ALA  14  -5.556  15.688 -13.233
  102    HB3  ALA  14           3HB      ALA  14  -4.025  16.071 -12.444
  103    H    GLY  15           H        GLY  15  -2.031  17.109 -15.803
  104    HA2  GLY  15           1HA      GLY  15  -0.920  19.209 -16.181
  105    HA3  GLY  15           2HA      GLY  15  -1.558  19.775 -14.644
  106    H    TYR  16           H        TYR  16  -0.810  17.032 -13.517
  107    HA   TYR  16           HA       TYR  16   1.550  17.758 -12.251
  108    HB2  TYR  16           1HB      TYR  16  -0.033  15.287 -12.524
  109    HB3  TYR  16           2HB      TYR  16   1.664  15.037 -12.132
  110    HD1  TYR  16           HD2      TYR  16  -1.475  16.606 -10.990
  111    HD2  TYR  16           HD1      TYR  16   2.520  15.558  -9.968
  112    HE1  TYR  16           HE2      TYR  16  -1.954  17.105  -8.630
  113    HE2  TYR  16           HE1      TYR  16   2.051  16.053  -7.605
  114    HH   TYR  16           HH       TYR  16  -1.196  16.925  -6.520
  115    H    ASP  17           H        ASP  17   1.045  16.249 -15.339
  116    HA   ASP  17           HA       ASP  17   3.961  16.192 -15.739
  117    HB2  ASP  17           1HB      ASP  17   1.952  14.157 -16.728
  118    HB3  ASP  17           2HB      ASP  17   3.648  14.205 -17.200
  119    H    SER  18           H        SER  18   4.198  15.706 -18.336
  120    HA   SER  18           HA       SER  18   3.134  18.114 -19.534
  121    HB2  SER  18           1HB      SER  18   5.530  17.228 -19.803
  122    HB3  SER  18           2HB      SER  18   4.842  16.055 -20.926
  123    H    GLY  19           H        GLY  19   0.909  17.253 -19.344
  124    HA2  GLY  19           1HA      GLY  19  -0.149  15.155 -18.914
  125    HA3  GLY  19           2HA      GLY  19  -0.595  15.564 -20.564
  126    H    THR  20           H        THR  20   1.788  13.795 -18.634
  127    HA   THR  20           HA       THR  20   1.780  11.668 -20.611
  128    HB   THR  20           HB       THR  20   3.607  13.259 -21.308
  129    HG1  THR  20           HG1      THR  20   4.242  11.407 -22.106
  130   HG21  THR  20          3HG2      THR  20   4.907  12.286 -18.760
  131   HG22  THR  20          1HG2      THR  20   4.326  13.925 -19.051
  132   HG23  THR  20          2HG2      THR  20   5.667  13.283 -20.001
  133    H    CYS  21           H        CYS  21   2.128   9.689 -19.729
  134    HA   CYS  21           HA       CYS  21   3.048   9.581 -16.935
  135    HB2  CYS  21           1HB      CYS  21   0.851   7.827 -18.034
  136    HB3  CYS  21           2HB      CYS  21   1.345   8.016 -16.355
  137    H    ASP  22           H        ASP  22   3.088   6.935 -16.483
  138    HA   ASP  22           HA       ASP  22   4.322   5.519 -18.677
  139    HB2  ASP  22           1HB      ASP  22   5.925   6.924 -16.703
  140    HB3  ASP  22           2HB      ASP  22   6.264   5.196 -16.704
  141    H    TYR  23           H        TYR  23   4.744   5.220 -15.164
  142    HA   TYR  23           HA       TYR  23   4.183   2.457 -15.146
  143    HB2  TYR  23           1HB      TYR  23   3.948   4.296 -12.765
  144    HB3  TYR  23           2HB      TYR  23   4.354   2.583 -12.772
  145    HD1  TYR  23           HD2      TYR  23   6.483   2.171 -14.518
  146    HD2  TYR  23           HD1      TYR  23   5.716   5.643 -12.181
  147    HE1  TYR  23           HE2      TYR  23   8.876   2.735 -14.582
  148    HE2  TYR  23           HE1      TYR  23   8.107   6.217 -12.240
  149    HH   TYR  23           HH       TYR  23  10.441   4.190 -13.994
  150    H    MET  24           H        MET  24   2.160   5.257 -14.962
  151    HA   MET  24           HA       MET  24  -0.089   4.137 -13.697
  152    HB2  MET  24           1HB      MET  24   0.227   6.413 -15.645
  153    HB3  MET  24           2HB      MET  24  -1.337   5.966 -14.978
  154    HG2  MET  24           1HG      MET  24  -0.736   7.586 -13.507
  155    HG3  MET  24           2HG      MET  24  -0.053   6.179 -12.696
  156    HE1  MET  24           3HE      MET  24   2.483   6.874 -11.504
  157    HE2  MET  24           1HE      MET  24   2.137   5.503 -12.558
  158    HE3  MET  24           2HE      MET  24   3.590   6.469 -12.817
  159    H    TYR  25           H        TYR  25   0.842   4.321 -17.110
  160    HA   TYR  25           HA       TYR  25  -1.521   3.143 -18.128
  161    HB2  TYR  25           1HB      TYR  25   1.242   3.572 -19.224
  162    HB3  TYR  25           2HB      TYR  25   0.060   2.632 -20.128
  163    HD1  TYR  25           HD1      TYR  25  -0.040   5.828 -18.178
  164    HD2  TYR  25           HD2      TYR  25  -0.894   3.836 -21.840
  165    HE1  TYR  25           HE1      TYR  25  -0.995   7.907 -19.080
  166    HE2  TYR  25           HE2      TYR  25  -1.849   5.910 -22.752
  167    HH   TYR  25           HH       TYR  25  -1.747   8.298 -22.395
  168    H    SER  26           H        SER  26   0.980   1.841 -16.317
  169    HA   SER  26           HA       SER  26   0.894  -0.809 -17.489
  170    HB2  SER  26           1HB      SER  26   2.972   0.232 -16.460
  171    HB3  SER  26           2HB      SER  26   2.210  -0.013 -14.889
  172    HG   SER  26           HG       SER  26   2.076  -2.265 -15.450
  173    H    HIS  27           H        HIS  27  -1.557   0.375 -16.381
  174    HA   HIS  27           HA       HIS  27  -3.353  -0.204 -15.107
  175    HB2  HIS  27           1HB      HIS  27  -1.937  -2.800 -15.552
  176    HB3  HIS  27           2HB      HIS  27  -3.306  -2.758 -14.445
  177    HD1  HIS  27           HD1      HIS  27  -3.531  -4.402 -16.988
  178    HD2  HIS  27           HD2      HIS  27  -4.696  -0.423 -16.729
  179    HE1  HIS  27           HE1      HIS  27  -5.204  -4.070 -18.836
  180    H    CYS  28           H        CYS  28  -1.669   1.182 -13.623
  181    HA   CYS  28           HA       CYS  28  -1.464  -0.300 -11.083
  182    HB2  CYS  28           1HB      CYS  28   0.624   0.798 -12.383
  183    HB3  CYS  28           2HB      CYS  28   0.108   2.190 -11.437
  184    H    PHE  29           H        PHE  29  -2.884   2.320 -12.734
  185    HA   PHE  29           HA       PHE  29  -3.863   3.435 -10.188
  186    HB2  PHE  29           1HB      PHE  29  -3.189   4.769 -12.795
  187    HB3  PHE  29           2HB      PHE  29  -4.321   5.514 -11.671
  188    HD1  PHE  29           HD2      PHE  29  -1.032   3.772 -11.355
  189    HD2  PHE  29           HD1      PHE  29  -3.381   7.205 -10.457
  190    HE1  PHE  29           HE2      PHE  29   0.853   4.728 -10.097
  191    HE2  PHE  29           HE1      PHE  29  -1.499   8.168  -9.198
  192    HZ   PHE  29           HZ       PHE  29   0.621   6.928  -9.015
  193    H    GLY  30           H        GLY  30  -4.670   2.081 -13.258
  194    HA2  GLY  30           1HA      GLY  30  -6.719   1.137 -13.853
  195    HA3  GLY  30           2HA      GLY  30  -7.458   1.928 -12.468
  196    H    VAL  31           H        VAL  31  -5.511   3.721 -14.729
  197    HA   VAL  31           HA       VAL  31  -7.918   5.185 -15.554
  198    HB   VAL  31           HB       VAL  31  -6.401   6.981 -16.246
  199   HG11  VAL  31          1HG1      VAL  31  -5.834   6.024 -13.442
  200   HG12  VAL  31          2HG1      VAL  31  -5.670   7.677 -14.036
  201   HG13  VAL  31          3HG1      VAL  31  -7.263   6.925 -13.947
  202   HG21  VAL  31          3HG2      VAL  31  -4.349   6.307 -16.860
  203   HG22  VAL  31          1HG2      VAL  31  -3.963   6.470 -15.147
  204   HG23  VAL  31          2HG2      VAL  31  -4.391   4.892 -15.809
  205    H    LYS  32           H        LYS  32  -5.165   3.398 -16.789
  206    HA   LYS  32           HA       LYS  32  -5.397   4.036 -19.506
  207    HB2  LYS  32           1HB      LYS  32  -3.594   2.658 -18.171
  208    HB3  LYS  32           2HB      LYS  32  -4.586   1.287 -18.648
  209    HG2  LYS  32           1HG      LYS  32  -3.928   3.141 -20.823
  210    HG3  LYS  32           2HG      LYS  32  -2.548   2.301 -20.112
  211    HD2  LYS  32           1HD      LYS  32  -5.053   0.931 -21.083
  212    HD3  LYS  32           2HD      LYS  32  -3.584   1.111 -22.045
  213    HE2  LYS  32           1HE      LYS  32  -2.390  -0.021 -20.083
  214    HE3  LYS  32           2HE      LYS  32  -4.000  -0.474 -19.528
  215    HZ1  LYS  32           3HZ      LYS  32  -3.401  -1.051 -22.312
  216    HZ2  LYS  32           1HZ      LYS  32  -4.241  -1.974 -21.170
  217    HZ3  LYS  32           2HZ      LYS  32  -2.550  -1.966 -21.173
  218    H    HIS  33           H        HIS  33  -6.544   3.167 -21.190
  219    HA   HIS  33           HA       HIS  33  -8.411   0.986 -20.646
  220    HB2  HIS  33           1HB      HIS  33  -9.149   3.799 -21.241
  221    HB3  HIS  33           2HB      HIS  33 -10.065   2.549 -22.077
  222    HD1  HIS  33           HD1      HIS  33 -10.519   0.480 -19.973
  223    HD2  HIS  33           HD2      HIS  33 -10.694   4.550 -19.160
  224    HE1  HIS  33           HE1      HIS  33 -11.922   0.691 -17.897
  225    H    SER  34           H        SER  34  -6.686   0.009 -22.009
  226    HA   SER  34           HA       SER  34  -5.919  -0.818 -23.986
  227    HB2  SER  34           1HB      SER  34  -7.539  -1.433 -25.529
  228    HB3  SER  34           2HB      SER  34  -8.527  -1.144 -24.097
  229    HG   SER  34           HG       SER  34  -8.773  -0.005 -26.438
  230    H    SER  35           H        SER  35  -5.428   2.000 -23.345
  231    HA   SER  35           HA       SER  35  -5.412   3.300 -25.957
  232    HB2  SER  35           1HB      SER  35  -6.046   4.497 -23.791
  233    HB3  SER  35           2HB      SER  35  -4.333   4.437 -23.377
  234    HG   SER  35           HG       SER  35  -4.788   6.380 -24.414
  235    H    GLY  36           H        GLY  36  -3.886   1.796 -26.897
  236    HA2  GLY  36           1HA      GLY  36  -1.372   2.680 -27.296
  237    HA3  GLY  36           2HA      GLY  36  -1.193   1.723 -25.833
  238    H    GLY  37           H        GLY  37  -0.326  -0.182 -26.299
  239    HA2  GLY  37           1HA      GLY  37  -1.542  -1.787 -28.423
  240    HA3  GLY  37           2HA      GLY  37   0.183  -1.472 -28.534
  241    H    GLY  38           H        GLY  38   1.544  -2.809 -27.510
  242    HA2  GLY  38           1HA      GLY  38   0.487  -5.122 -26.190
  243    HA3  GLY  38           2HA      GLY  38   2.187  -4.743 -26.428
  244    H    GLY  39           H        GLY  39   1.542  -5.887 -24.099
  245    HA2  GLY  39           1HA      GLY  39   2.233  -5.483 -21.897
  246    HA3  GLY  39           2HA      GLY  39   2.132  -3.756 -22.206
  247    H    SER  40           H        SER  40  -0.455  -6.017 -22.909
  248    HA   SER  40           HA       SER  40  -2.142  -4.579 -20.996
  249    HB2  SER  40           1HB      SER  40  -3.320  -4.573 -22.972
  250    HB3  SER  40           2HB      SER  40  -2.648  -6.115 -23.502
  251    HG   SER  40           HG       SER  40  -4.060  -7.183 -22.186
  252    H    TYR  41           H        TYR  41  -2.433  -5.446 -19.063
  253    HA   TYR  41           HA       TYR  41  -1.779  -8.186 -18.516
  254    HB2  TYR  41           1HB      TYR  41  -1.602  -6.034 -16.990
  255    HB3  TYR  41           2HB      TYR  41  -3.244  -6.484 -16.544
  256    HD1  TYR  41           HD1      TYR  41   0.288  -7.463 -16.400
  257    HD2  TYR  41           HD2      TYR  41  -3.679  -8.483 -15.250
  258    HE1  TYR  41           HE1      TYR  41   1.181  -9.097 -14.793
  259    HE2  TYR  41           HE2      TYR  41  -2.798 -10.119 -13.639
  260    HH   TYR  41           HH       TYR  41  -0.386 -10.293 -12.325
  261    H    HIS  42           H        HIS  42  -3.261  -9.669 -17.408
  262    HA   HIS  42           HA       HIS  42  -5.885  -9.619 -18.693
  263    HB2  HIS  42           1HB      HIS  42  -4.155 -11.631 -18.583
  264    HB3  HIS  42           2HB      HIS  42  -4.968 -11.934 -17.050
  265    HD1  HIS  42           HD1      HIS  42  -5.399 -12.222 -20.711
  266    HD2  HIS  42           HD2      HIS  42  -7.720 -12.639 -17.291
  267    HE1  HIS  42           HE1      HIS  42  -7.483 -13.418 -21.454
  268    H    CYS  43           H        CYS  43  -5.469  -7.818 -16.543
  269    HA   CYS  43           HA       CYS  43  -6.759  -8.980 -14.217
  270    HB2  CYS  43           1HB      CYS  43  -4.885  -7.219 -14.170
  271    HB3  CYS  43           2HB      CYS  43  -6.134  -6.061 -14.615
  272    H1   NAG 101           H1       NAG 100   4.495  19.500 -22.282
  273    H2   NAG 101           HC2      NAG 100   6.887  20.022 -20.430
  274    H3   NAG 101           HC3      NAG 100   5.158  21.951 -22.087
  275    H4   NAG 101           HC4      NAG 100   8.052  21.013 -22.548
  276    H5   NAG 101           H5       NAG 100   5.448  20.307 -24.016
  277    H61  NAG 101           1H6      NAG 100   7.417  20.626 -25.539
  278    H62  NAG 101           2H6      NAG 100   8.376  19.520 -24.545
  279    H81  NAG 101           3H8      NAG 100   4.012  21.226 -17.326
  280    H82  NAG 101           1H8      NAG 100   2.996  19.889 -17.962
  281    H83  NAG 101           2H8      NAG 100   4.239  19.555 -16.710
  282    HN2  NAG 101           H2       NAG 100   4.216  21.236 -19.995
  283    HO3  NAG 101           H3       NAG 100   6.865  23.429 -21.475
  284    HO4  NAG 101           H4       NAG 100   8.014  22.393 -24.242
  285    HO6  NAG 101           HO6      NAG 100   6.410  17.987 -24.946
  286    H1   NAG 102           H1       NAG 200  -7.684  -6.786 -10.828
  287    H2   NAG 102           HC2      NAG 200  -6.731  -4.240  -9.401
  288    H3   NAG 102           HC3      NAG 200  -9.266  -5.938  -9.021
  289    H4   NAG 102           HC4      NAG 200  -8.934  -3.157 -10.296
  290    H5   NAG 102           H5       NAG 200  -9.484  -5.900 -11.563
  291    H61  NAG 102           1H6      NAG 200 -10.791  -4.024 -12.598
  292    H62  NAG 102           2H6      NAG 200  -9.305  -3.080 -12.781
  293    H81  NAG 102           3H8      NAG 200  -5.623  -7.452  -6.526
  294    H82  NAG 102           1H8      NAG 200  -4.139  -7.630  -7.520
  295    H83  NAG 102           2H8      NAG 200  -4.248  -6.319  -6.298
  296    HN2  NAG 102           H2       NAG 200  -7.276  -6.782  -7.972
  297    HO3  NAG 102           H3       NAG 200  -9.868  -4.091  -7.717
  298    HO4  NAG 102           H4       NAG 200 -11.109  -3.214 -10.499
  299    HO6  NAG 102           HO6      NAG 200  -8.515  -5.173 -13.952
  Start of MODEL   15
    1    H1   LYS   1           H        LYS   1   2.432  -1.253  -2.825
    2    HA   LYS   1           HA       LYS   1   2.280  -2.027  -5.665
    3    HB2  LYS   1           1HB      LYS   1   1.870   0.563  -4.293
    4    HB3  LYS   1           2HB      LYS   1   2.787   0.626  -5.793
    5    HG2  LYS   1           1HG      LYS   1   1.001   0.057  -7.076
    6    HG3  LYS   1           2HG      LYS   1   0.253  -0.911  -5.803
    7    HD2  LYS   1           1HD      LYS   1   0.047   1.477  -4.650
    8    HD3  LYS   1           2HD      LYS   1   0.075   2.006  -6.334
    9    HE2  LYS   1           1HE      LYS   1  -1.959   1.130  -6.778
   10    HE3  LYS   1           2HE      LYS   1  -1.700  -0.269  -5.737
   11    HZ1  LYS   1           3HZ      LYS   1  -1.840   1.837  -4.010
   12    HZ2  LYS   1           1HZ      LYS   1  -3.077   0.728  -4.328
   13    HZ3  LYS   1           2HZ      LYS   1  -3.023   2.198  -5.163
   14    HA   PRO   2           HA       PRO   2   6.657  -2.005  -5.957
   15    HB2  PRO   2           1HB      PRO   2   7.079  -0.874  -8.389
   16    HB3  PRO   2           2HB      PRO   2   6.419  -2.502  -8.187
   17    HG2  PRO   2           1HG      PRO   2   4.987   0.068  -8.741
   18    HG3  PRO   2           2HG      PRO   2   4.729  -1.533  -9.458
   19    HD2  PRO   2           1HD      PRO   2   3.149  -0.546  -7.494
   20    HD3  PRO   2           2HD      PRO   2   3.496  -2.279  -7.660
   21    H    ALA   3           H        ALA   3   8.460  -0.352  -7.017
   22    HA   ALA   3           HA       ALA   3   8.304   1.975  -5.280
   23    HB1  ALA   3           1HB      ALA   3  10.590   2.069  -5.363
   24    HB2  ALA   3           2HB      ALA   3  10.335   0.349  -5.658
   25    HB3  ALA   3           3HB      ALA   3  10.668   1.434  -7.007
   26    H    TRP   4           H        TRP   4   7.056   1.457  -8.148
   27    HA   TRP   4           HA       TRP   4   7.982   3.958  -9.379
   28    HB2  TRP   4           1HB      TRP   4   6.094   2.273 -10.887
   29    HB3  TRP   4           2HB      TRP   4   7.591   3.040 -11.411
   30    HD1  TRP   4           HD1      TRP   4   9.773   1.642  -9.795
   31    HE1  TRP   4           HE1      TRP   4  10.234  -0.880 -10.014
   32    HE3  TRP   4           HE3      TRP   4   5.256   0.151 -11.667
   33    HZ2  TRP   4           HZ2      TRP   4   8.864  -3.196 -10.869
   34    HZ3  TRP   4           HZ3      TRP   4   4.912  -2.235 -12.159
   35    HH2  TRP   4           HH2      TRP   4   6.681  -3.872 -11.768
   36    H    CYS   5           H        CYS   5   5.023   2.210  -8.491
   37    HA   CYS   5           HA       CYS   5   3.406   4.575  -8.991
   38    HB2  CYS   5           1HB      CYS   5   2.465   1.957  -7.824
   39    HB3  CYS   5           2HB      CYS   5   1.508   3.181  -8.652
   40    H    TRP   6           H        TRP   6   1.489   4.452  -7.069
   41    HA   TRP   6           HA       TRP   6   2.685   4.430  -4.442
   42    HB2  TRP   6           1HB      TRP   6   2.969   6.770  -5.821
   43    HB3  TRP   6           2HB      TRP   6   1.445   7.046  -4.983
   44    HD1  TRP   6           HD1      TRP   6   5.150   7.019  -4.439
   45    HE1  TRP   6           HE1      TRP   6   5.673   7.545  -1.974
   46    HE3  TRP   6           HE3      TRP   6   0.435   6.611  -2.504
   47    HZ2  TRP   6           HZ2      TRP   6   4.272   7.758   0.467
   48    HZ3  TRP   6           HZ3      TRP   6   0.113   6.991  -0.094
   49    HH2  TRP   6           HH2      TRP   6   1.993   7.551   1.359
   50    H    TYR   7           H        TYR   7  -0.090   5.588  -6.346
   51    HA   TYR   7           HA       TYR   7  -1.931   3.952  -4.935
   52    HB2  TYR   7           1HB      TYR   7  -1.303   6.189  -3.507
   53    HB3  TYR   7           2HB      TYR   7  -2.689   6.755  -4.432
   54    HD1  TYR   7           HD2      TYR   7  -1.821   3.546  -2.709
   55    HD2  TYR   7           HD1      TYR   7  -4.626   6.709  -3.191
   56    HE1  TYR   7           HE2      TYR   7  -3.329   2.443  -1.111
   57    HE2  TYR   7           HE1      TYR   7  -6.142   5.615  -1.593
   58    HH   TYR   7           HH       TYR   7  -6.156   4.015   0.133
   59    H    THR   8           H        THR   8  -4.285   5.269  -5.324
   60    HA   THR   8           HA       THR   8  -4.396   5.395  -8.243
   61    HB   THR   8           HB       THR   8  -6.799   5.430  -6.437
   62    HG1  THR   8           HG1      THR   8  -6.154   3.527  -5.760
   63   HG21  THR   8          3HG2      THR   8  -6.341   5.327  -9.252
   64   HG22  THR   8          1HG2      THR   8  -7.876   5.356  -8.385
   65   HG23  THR   8          2HG2      THR   8  -7.097   3.816  -8.746
   66    H    LEU   9           H        LEU   9  -3.469   7.616  -6.421
   67    HA   LEU   9           HA       LEU   9  -5.363   9.668  -6.299
   68    HB2  LEU   9           1HB      LEU   9  -2.369   9.646  -6.439
   69    HB3  LEU   9           2HB      LEU   9  -3.267  11.162  -6.404
   70    HG   LEU   9           HG       LEU   9  -3.290   9.033  -4.265
   71   HD11  LEU   9          1HD1      LEU   9  -2.062  11.785  -4.333
   72   HD12  LEU   9          2HD1      LEU   9  -1.195  10.250  -4.327
   73   HD13  LEU   9          3HD1      LEU   9  -2.141  10.733  -2.919
   74   HD21  LEU   9          3HD2      LEU   9  -5.431  10.075  -4.306
   75   HD22  LEU   9          1HD2      LEU   9  -4.716  11.676  -4.493
   76   HD23  LEU   9          2HD2      LEU   9  -4.523  10.796  -2.977
   77    H    ALA  10           H        ALA  10  -3.197   8.673  -8.891
   78    HA   ALA  10           HA       ALA  10  -3.166   9.153 -11.116
   79    HB1  ALA  10           1HB      ALA  10  -5.160   9.528 -12.192
   80    HB2  ALA  10           2HB      ALA  10  -5.728   8.879 -10.653
   81    HB3  ALA  10           3HB      ALA  10  -5.757  10.619 -10.941
   82    H    MET  11           H        MET  11  -1.480  10.691 -10.075
   83    HA   MET  11           HA       MET  11  -2.030  13.465  -9.961
   84    HB2  MET  11           1HB      MET  11   0.545  11.918 -10.242
   85    HB3  MET  11           2HB      MET  11   0.495  13.670 -10.105
   86    HG2  MET  11           1HG      MET  11  -0.479  13.536  -7.924
   87    HG3  MET  11           2HG      MET  11  -0.664  11.790  -8.067
   88    HE1  MET  11           3HE      MET  11   0.955  10.208  -8.275
   89    HE2  MET  11           1HE      MET  11   2.692  10.329  -7.996
   90    HE3  MET  11           2HE      MET  11   1.584  10.242  -6.627
   91    H    CYS  12           H        CYS  12   0.036  11.761 -12.320
   92    HA   CYS  12           HA       CYS  12   0.215  13.788 -14.183
   93    HB2  CYS  12           1HB      CYS  12   0.956  12.151 -15.744
   94    HB3  CYS  12           2HB      CYS  12   1.479  11.592 -14.158
   95    H    GLY  13           H        GLY  13  -0.832  14.148 -16.214
   96    HA2  GLY  13           1HA      GLY  13  -2.613  13.920 -17.746
   97    HA3  GLY  13           2HA      GLY  13  -3.471  12.938 -16.568
   98    H    ALA  14           H        ALA  14  -2.866  14.979 -14.450
   99    HA   ALA  14           HA       ALA  14  -5.026  16.835 -15.181
  100    HB1  ALA  14           1HB      ALA  14  -5.529  15.481 -13.248
  101    HB2  ALA  14           2HB      ALA  14  -4.027  15.978 -12.469
  102    HB3  ALA  14           3HB      ALA  14  -5.307  17.158 -12.748
  103    H    GLY  15           H        GLY  15  -2.083  17.067 -15.800
  104    HA2  GLY  15           1HA      GLY  15  -1.088  19.227 -16.202
  105    HA3  GLY  15           2HA      GLY  15  -1.754  19.768 -14.668
  106    H    TYR  16           H        TYR  16  -0.857  17.028 -13.581
  107    HA   TYR  16           HA       TYR  16   1.477  17.900 -12.320
  108    HB2  TYR  16           1HB      TYR  16  -0.005  15.354 -12.527
  109    HB3  TYR  16           2HB      TYR  16   1.696  15.203 -12.104
  110    HD1  TYR  16           HD2      TYR  16  -1.523  16.694 -11.067
  111    HD2  TYR  16           HD1      TYR  16   2.480  15.794  -9.940
  112    HE1  TYR  16           HE2      TYR  16  -2.063  17.246  -8.732
  113    HE2  TYR  16           HE1      TYR  16   1.951  16.343  -7.601
  114    HH   TYR  16           HH       TYR  16   0.344  17.619  -6.328
  115    H    ASP  17           H        ASP  17   0.998  16.113 -15.293
  116    HA   ASP  17           HA       ASP  17   3.915  16.129 -15.715
  117    HB2  ASP  17           1HB      ASP  17   1.862  14.157 -16.735
  118    HB3  ASP  17           2HB      ASP  17   3.552  14.179 -17.229
  119    H    SER  18           H        SER  18   4.153  15.669 -18.323
  120    HA   SER  18           HA       SER  18   3.147  18.123 -19.489
  121    HB2  SER  18           1HB      SER  18   5.312  16.204 -20.080
  122    HB3  SER  18           2HB      SER  18   4.556  16.938 -21.494
  123    H    GLY  19           H        GLY  19   0.915  17.234 -19.308
  124    HA2  GLY  19           1HA      GLY  19  -0.141  15.127 -18.936
  125    HA3  GLY  19           2HA      GLY  19  -0.567  15.559 -20.585
  126    H    THR  20           H        THR  20   1.767  13.752 -18.638
  127    HA   THR  20           HA       THR  20   1.799  11.651 -20.630
  128    HB   THR  20           HB       THR  20   3.572  12.969 -21.543
  129    HG1  THR  20           HG1      THR  20   5.025  11.124 -19.985
  130   HG21  THR  20          3HG2      THR  20   4.488  13.199 -18.692
  131   HG22  THR  20          1HG2      THR  20   4.168  14.483 -19.856
  132   HG23  THR  20          2HG2      THR  20   5.596  13.464 -20.038
  133    H    CYS  21           H        CYS  21   2.147   9.679 -19.746
  134    HA   CYS  21           HA       CYS  21   3.133   9.567 -16.976
  135    HB2  CYS  21           1HB      CYS  21   0.883   7.839 -18.004
  136    HB3  CYS  21           2HB      CYS  21   1.427   8.029 -16.341
  137    H    ASP  22           H        ASP  22   3.131   6.911 -16.529
  138    HA   ASP  22           HA       ASP  22   4.296   5.484 -18.752
  139    HB2  ASP  22           1HB      ASP  22   5.964   6.857 -16.809
  140    HB3  ASP  22           2HB      ASP  22   6.272   5.122 -16.817
  141    H    TYR  23           H        TYR  23   4.787   5.163 -15.250
  142    HA   TYR  23           HA       TYR  23   4.175   2.410 -15.233
  143    HB2  TYR  23           1HB      TYR  23   4.018   4.221 -12.828
  144    HB3  TYR  23           2HB      TYR  23   4.430   2.510 -12.875
  145    HD1  TYR  23           HD2      TYR  23   6.506   2.149 -14.707
  146    HD2  TYR  23           HD1      TYR  23   5.803   5.547 -12.246
  147    HE1  TYR  23           HE2      TYR  23   8.895   2.722 -14.827
  148    HE2  TYR  23           HE1      TYR  23   8.189   6.131 -12.360
  149    HH   TYR  23           HH       TYR  23  10.241   5.384 -12.947
  150    H    MET  24           H        MET  24   2.213   5.249 -14.980
  151    HA   MET  24           HA       MET  24  -0.026   4.163 -13.668
  152    HB2  MET  24           1HB      MET  24   0.284   6.450 -15.606
  153    HB3  MET  24           2HB      MET  24  -1.268   6.030 -14.893
  154    HG2  MET  24           1HG      MET  24  -0.587   7.625 -13.429
  155    HG3  MET  24           2HG      MET  24   0.092   6.197 -12.651
  156    HE1  MET  24           3HE      MET  24   2.471   5.504 -12.649
  157    HE2  MET  24           1HE      MET  24   3.737   6.728 -12.544
  158    HE3  MET  24           2HE      MET  24   2.362   6.786 -11.442
  159    H    TYR  25           H        TYR  25   0.819   4.370 -17.104
  160    HA   TYR  25           HA       TYR  25  -1.591   3.242 -18.068
  161    HB2  TYR  25           1HB      TYR  25   1.145   3.647 -19.238
  162    HB3  TYR  25           2HB      TYR  25  -0.076   2.735 -20.120
  163    HD1  TYR  25           HD1      TYR  25  -0.077   5.905 -18.127
  164    HD2  TYR  25           HD2      TYR  25  -1.056   3.975 -21.790
  165    HE1  TYR  25           HE1      TYR  25  -1.028   8.009 -18.976
  166    HE2  TYR  25           HE2      TYR  25  -2.008   6.074 -22.649
  167    HH   TYR  25           HH       TYR  25  -1.460   8.785 -21.897
  168    H    SER  26           H        SER  26   0.938   1.880 -16.346
  169    HA   SER  26           HA       SER  26   0.781  -0.752 -17.551
  170    HB2  SER  26           1HB      SER  26   2.878   0.328 -16.490
  171    HB3  SER  26           2HB      SER  26   2.152  -0.118 -14.946
  172    HG   SER  26           HG       SER  26   2.094  -2.292 -15.727
  173    H    HIS  27           H        HIS  27  -1.637   0.412 -16.404
  174    HA   HIS  27           HA       HIS  27  -3.409  -0.160 -15.095
  175    HB2  HIS  27           1HB      HIS  27  -2.919  -2.327 -16.364
  176    HB3  HIS  27           2HB      HIS  27  -2.158  -2.895 -14.882
  177    HD1  HIS  27           HD1      HIS  27  -4.211  -4.715 -15.271
  178    HD2  HIS  27           HD2      HIS  27  -5.207  -0.919 -13.908
  179    HE1  HIS  27           HE1      HIS  27  -6.502  -4.944 -14.260
  180    H    CYS  28           H        CYS  28  -1.660   1.213 -13.649
  181    HA   CYS  28           HA       CYS  28  -1.441  -0.261 -11.106
  182    HB2  CYS  28           1HB      CYS  28   0.647   0.783 -12.436
  183    HB3  CYS  28           2HB      CYS  28   0.165   2.203 -11.515
  184    H    PHE  29           H        PHE  29  -2.825   2.393 -12.744
  185    HA   PHE  29           HA       PHE  29  -3.765   3.514 -10.185
  186    HB2  PHE  29           1HB      PHE  29  -3.058   4.850 -12.781
  187    HB3  PHE  29           2HB      PHE  29  -4.184   5.612 -11.662
  188    HD1  PHE  29           HD2      PHE  29  -0.934   3.801 -11.326
  189    HD2  PHE  29           HD1      PHE  29  -3.217   7.281 -10.436
  190    HE1  PHE  29           HE2      PHE  29   0.961   4.713 -10.050
  191    HE2  PHE  29           HE1      PHE  29  -1.325   8.200  -9.160
  192    HZ   PHE  29           HZ       PHE  29   0.768   6.916  -8.966
  193    H    GLY  30           H        GLY  30  -4.614   2.268 -13.305
  194    HA2  GLY  30           1HA      GLY  30  -6.730   1.278 -13.731
  195    HA3  GLY  30           2HA      GLY  30  -7.436   2.326 -12.511
  196    H    VAL  31           H        VAL  31  -5.277   3.783 -14.752
  197    HA   VAL  31           HA       VAL  31  -7.517   5.234 -15.940
  198    HB   VAL  31           HB       VAL  31  -5.856   6.807 -16.775
  199   HG11  VAL  31          1HG1      VAL  31  -5.559   6.077 -13.867
  200   HG12  VAL  31          2HG1      VAL  31  -4.931   7.566 -14.575
  201   HG13  VAL  31          3HG1      VAL  31  -6.667   7.252 -14.575
  202   HG21  VAL  31          3HG2      VAL  31  -3.963   5.594 -17.330
  203   HG22  VAL  31          1HG2      VAL  31  -3.454   6.429 -15.862
  204   HG23  VAL  31          2HG2      VAL  31  -3.936   4.734 -15.790
  205    H    LYS  32           H        LYS  32  -4.921   3.047 -16.794
  206    HA   LYS  32           HA       LYS  32  -4.924   3.320 -19.565
  207    HB2  LYS  32           1HB      LYS  32  -3.195   2.022 -18.640
  208    HB3  LYS  32           2HB      LYS  32  -4.318   1.006 -17.744
  209    HG2  LYS  32           1HG      LYS  32  -3.327  -0.188 -19.621
  210    HG3  LYS  32           2HG      LYS  32  -5.073  -0.019 -19.814
  211    HD2  LYS  32           1HD      LYS  32  -4.037   0.434 -21.927
  212    HD3  LYS  32           2HD      LYS  32  -4.652   1.956 -21.277
  213    HE2  LYS  32           1HE      LYS  32  -2.546   2.771 -20.834
  214    HE3  LYS  32           2HE      LYS  32  -1.835   1.163 -20.702
  215    HZ1  LYS  32           3HZ      LYS  32  -2.425   2.738 -23.111
  216    HZ2  LYS  32           1HZ      LYS  32  -2.421   1.050 -23.213
  217    HZ3  LYS  32           2HZ      LYS  32  -1.029   1.870 -22.712
  218    H    HIS  33           H        HIS  33  -6.463   3.004 -21.020
  219    HA   HIS  33           HA       HIS  33  -8.970   1.839 -20.358
  220    HB2  HIS  33           1HB      HIS  33  -7.747   2.798 -22.938
  221    HB3  HIS  33           2HB      HIS  33  -9.340   2.049 -22.894
  222    HD1  HIS  33           HD1      HIS  33  -7.928   4.572 -20.438
  223    HD2  HIS  33           HD2      HIS  33 -10.953   4.211 -23.262
  224    HE1  HIS  33           HE1      HIS  33  -9.300   6.668 -20.224
  225    H    SER  34           H        SER  34  -6.494   0.833 -22.725
  226    HA   SER  34           HA       SER  34  -5.993  -1.196 -23.628
  227    HB2  SER  34           1HB      SER  34  -5.359  -1.606 -21.247
  228    HB3  SER  34           2HB      SER  34  -6.966  -2.277 -20.974
  229    HG   SER  34           HG       SER  34  -6.080  -4.073 -21.608
  230    H    SER  35           H        SER  35  -8.686  -0.135 -24.010
  231    HA   SER  35           HA       SER  35 -10.681  -2.072 -23.796
  232    HB2  SER  35           1HB      SER  35 -10.530  -0.148 -26.109
  233    HB3  SER  35           2HB      SER  35 -11.959  -0.743 -25.265
  234    HG   SER  35           HG       SER  35 -10.593   1.463 -24.778
  235    H    GLY  36           H        GLY  36  -8.072  -1.733 -26.077
  236    HA2  GLY  36           1HA      GLY  36  -7.311  -3.768 -27.182
  237    HA3  GLY  36           2HA      GLY  36  -8.999  -4.205 -27.399
  238    H    GLY  37           H        GLY  37  -7.025  -1.314 -28.105
  239    HA2  GLY  37           1HA      GLY  37  -6.970  -1.548 -30.864
  240    HA3  GLY  37           2HA      GLY  37  -8.473  -0.721 -30.482
  241    H    GLY  38           H        GLY  38  -7.828   0.930 -28.446
  242    HA2  GLY  38           1HA      GLY  38  -6.032   2.812 -29.788
  243    HA3  GLY  38           2HA      GLY  38  -7.183   3.203 -28.519
  244    H    GLY  39           H        GLY  39  -4.514   4.094 -28.540
  245    HA2  GLY  39           1HA      GLY  39  -3.163   4.440 -26.606
  246    HA3  GLY  39           2HA      GLY  39  -3.585   2.823 -26.061
  247    H    SER  40           H        SER  40  -3.071   1.824 -28.870
  248    HA   SER  40           HA       SER  40  -0.127   1.905 -28.782
  249    HB2  SER  40           1HB      SER  40  -1.840  -0.509 -29.420
  250    HB3  SER  40           2HB      SER  40  -0.077  -0.462 -29.402
  251    HG   SER  40           HG       SER  40  -0.117  -0.667 -27.314
  252    H    TYR  41           H        TYR  41  -0.230   3.547 -30.405
  253    HA   TYR  41           HA       TYR  41  -1.092   2.590 -33.052
  254    HB2  TYR  41           1HB      TYR  41  -1.951   4.820 -31.915
  255    HB3  TYR  41           2HB      TYR  41  -0.438   5.461 -32.545
  256    HD1  TYR  41           HD2      TYR  41  -0.077   5.674 -34.941
  257    HD2  TYR  41           HD1      TYR  41  -3.738   4.136 -33.411
  258    HE1  TYR  41           HE2      TYR  41  -1.123   5.986 -37.145
  259    HE2  TYR  41           HE1      TYR  41  -4.793   4.443 -35.612
  260    HH   TYR  41           HH       TYR  41  -4.054   6.257 -37.768
  261    H    HIS  42           H        HIS  42   0.243   3.242 -34.896
  262    HA   HIS  42           HA       HIS  42   3.078   2.977 -34.239
  263    HB2  HIS  42           1HB      HIS  42   1.682   1.601 -36.028
  264    HB3  HIS  42           2HB      HIS  42   2.090   2.971 -37.056
  265    HD1  HIS  42           HD1      HIS  42   3.771   1.847 -38.555
  266    HD2  HIS  42           HD2      HIS  42   4.624   1.342 -34.520
  267    HE1  HIS  42           HE1      HIS  42   6.058   0.806 -38.476
  268    H    CYS  43           H        CYS  43   1.862   5.490 -33.733
  269    HA   CYS  43           HA       CYS  43   3.472   7.155 -35.525
  270    HB2  CYS  43           1HB      CYS  43   1.219   7.331 -36.411
  271    HB3  CYS  43           2HB      CYS  43   0.582   7.686 -34.809
  272    H1   NAG 101           H1       NAG 100   5.174  19.907 -21.260
  273    H2   NAG 101           HC2      NAG 100   7.291  19.947 -19.038
  274    H3   NAG 101           HC3      NAG 100   6.040  22.229 -20.675
  275    H4   NAG 101           HC4      NAG 100   8.862  21.013 -20.833
  276    H5   NAG 101           H5       NAG 100   6.458  20.776 -22.730
  277    H61  NAG 101           1H6      NAG 100   8.661  21.021 -23.909
  278    H62  NAG 101           2H6      NAG 100   9.339  19.712 -22.930
  279    H81  NAG 101           3H8      NAG 100   4.026  21.183 -16.358
  280    H82  NAG 101           1H8      NAG 100   3.076  19.876 -17.141
  281    H83  NAG 101           2H8      NAG 100   4.145  19.497 -15.749
  282    HN2  NAG 101           H2       NAG 100   4.719  21.412 -18.841
  283    HO3  NAG 101           H3       NAG 100   7.772  23.424 -19.653
  284    HO4  NAG 101           H4       NAG 100   9.224  22.559 -22.334
  285    HO6  NAG 101           HO6      NAG 100   7.315  18.470 -23.790
  286    H1   NAG 102           H1       NAG 200   0.487  10.713 -36.956
  287    H2   NAG 102           HC2      NAG 200   2.366  13.092 -37.435
  288    H3   NAG 102           HC3      NAG 200  -0.269  12.293 -38.803
  289    H4   NAG 102           HC4      NAG 200   2.618  12.145 -39.857
  290    H5   NAG 102           H5       NAG 200   0.695   9.935 -38.934
  291    H61  NAG 102           1H6      NAG 200   2.035   9.330 -40.969
  292    H62  NAG 102           2H6      NAG 200   3.522   9.817 -40.143
  293    H81  NAG 102           3H8      NAG 200  -0.518  15.460 -35.100
  294    H82  NAG 102           1H8      NAG 200  -0.505  14.082 -33.949
  295    H83  NAG 102           2H8      NAG 200   0.738  15.372 -33.819
  296    HN2  NAG 102           H2       NAG 200  -0.487  13.415 -36.689
  297    HO3  NAG 102           H3       NAG 200   0.411  13.974 -40.281
  298    HO4  NAG 102           H4       NAG 200   1.690  11.450 -41.709
  299    HO6  NAG 102           HO6      NAG 200   2.674   8.217 -38.383
  Start of MODEL   16
    1    H1   LYS   1           H        LYS   1   2.089  -2.737  -3.970
    2    HA   LYS   1           HA       LYS   1   1.854  -2.140  -6.652
    3    HB2  LYS   1           1HB      LYS   1   2.126   0.338  -6.657
    4    HB3  LYS   1           2HB      LYS   1   0.547  -0.198  -6.096
    5    HG2  LYS   1           1HG      LYS   1   1.737  -0.031  -3.737
    6    HG3  LYS   1           2HG      LYS   1   2.743   1.128  -4.611
    7    HD2  LYS   1           1HD      LYS   1   1.043   2.462  -3.762
    8    HD3  LYS   1           2HD      LYS   1   0.487   2.122  -5.403
    9    HE2  LYS   1           1HE      LYS   1  -0.486   0.021  -3.844
   10    HE3  LYS   1           2HE      LYS   1  -0.734   1.469  -2.870
   11    HZ1  LYS   1           3HZ      LYS   1  -1.468   1.889  -5.592
   12    HZ2  LYS   1           1HZ      LYS   1  -2.381   2.118  -4.185
   13    HZ3  LYS   1           2HZ      LYS   1  -2.324   0.595  -4.919
   14    HA   PRO   2           HA       PRO   2   6.227  -2.304  -6.304
   15    HB2  PRO   2           1HB      PRO   2   6.992  -0.965  -8.538
   16    HB3  PRO   2           2HB      PRO   2   6.282  -2.584  -8.584
   17    HG2  PRO   2           1HG      PRO   2   4.983   0.069  -9.072
   18    HG3  PRO   2           2HG      PRO   2   4.796  -1.450  -9.968
   19    HD2  PRO   2           1HD      PRO   2   2.984  -0.602  -8.143
   20    HD3  PRO   2           2HD      PRO   2   3.318  -2.322  -8.428
   21    H    ALA   3           H        ALA   3   8.199  -0.649  -6.893
   22    HA   ALA   3           HA       ALA   3   7.818   1.547  -5.021
   23    HB1  ALA   3           1HB      ALA   3  10.408   0.907  -6.382
   24    HB2  ALA   3           2HB      ALA   3  10.129   1.620  -4.793
   25    HB3  ALA   3           3HB      ALA   3   9.809  -0.094  -5.059
   26    H    TRP   4           H        TRP   4   7.000   1.335  -8.047
   27    HA   TRP   4           HA       TRP   4   8.286   3.799  -8.980
   28    HB2  TRP   4           1HB      TRP   4   6.385   2.348 -10.736
   29    HB3  TRP   4           2HB      TRP   4   7.930   3.100 -11.123
   30    HD1  TRP   4           HD1      TRP   4   9.903   1.497  -9.332
   31    HE1  TRP   4           HE1      TRP   4  10.335  -1.005  -9.754
   32    HE3  TRP   4           HE3      TRP   4   5.639   0.359 -11.914
   33    HZ2  TRP   4           HZ2      TRP   4   9.041  -3.174 -11.014
   34    HZ3  TRP   4           HZ3      TRP   4   5.313  -1.952 -12.693
   35    HH2  TRP   4           HH2      TRP   4   6.980  -3.680 -12.251
   36    H    CYS   5           H        CYS   5   5.111   2.381  -8.350
   37    HA   CYS   5           HA       CYS   5   3.756   4.865  -8.991
   38    HB2  CYS   5           1HB      CYS   5   2.501   2.440  -7.717
   39    HB3  CYS   5           2HB      CYS   5   1.730   3.677  -8.704
   40    H    TRP   6           H        TRP   6   1.763   5.007  -7.139
   41    HA   TRP   6           HA       TRP   6   2.983   5.136  -4.498
   42    HB2  TRP   6           1HB      TRP   6   3.117   7.371  -6.043
   43    HB3  TRP   6           2HB      TRP   6   1.571   7.620  -5.235
   44    HD1  TRP   6           HD1      TRP   6   5.217   8.051  -4.724
   45    HE1  TRP   6           HE1      TRP   6   5.706   8.736  -2.292
   46    HE3  TRP   6           HE3      TRP   6   0.640   7.072  -2.669
   47    HZ2  TRP   6           HZ2      TRP   6   4.334   8.845   0.172
   48    HZ3  TRP   6           HZ3      TRP   6   0.311   7.493  -0.267
   49    HH2  TRP   6           HH2      TRP   6   2.121   8.361   1.122
   50    H    TYR   7           H        TYR   7   0.124   5.771  -6.491
   51    HA   TYR   7           HA       TYR   7  -1.594   4.183  -4.965
   52    HB2  TYR   7           1HB      TYR   7  -1.055   6.478  -3.579
   53    HB3  TYR   7           2HB      TYR   7  -2.511   6.933  -4.457
   54    HD1  TYR   7           HD2      TYR   7  -1.355   3.817  -2.733
   55    HD2  TYR   7           HD1      TYR   7  -4.392   6.770  -3.142
   56    HE1  TYR   7           HE2      TYR   7  -2.723   2.633  -1.067
   57    HE2  TYR   7           HE1      TYR   7  -5.768   5.594  -1.477
   58    HH   TYR   7           HH       TYR   7  -5.986   3.271  -0.578
   59    H    THR   8           H        THR   8  -4.023   5.441  -5.285
   60    HA   THR   8           HA       THR   8  -4.209   5.549  -8.209
   61    HB   THR   8           HB       THR   8  -6.568   5.350  -6.355
   62    HG1  THR   8           HG1      THR   8  -5.609   3.544  -5.710
   63   HG21  THR   8          3HG2      THR   8  -7.705   5.154  -8.259
   64   HG22  THR   8          1HG2      THR   8  -6.714   3.775  -8.736
   65   HG23  THR   8          2HG2      THR   8  -6.210   5.412  -9.160
   66    H    LEU   9           H        LEU   9  -3.379   7.815  -6.462
   67    HA   LEU   9           HA       LEU   9  -5.469   9.699  -6.265
   68    HB2  LEU   9           1HB      LEU   9  -2.520   9.742  -6.108
   69    HB3  LEU   9           2HB      LEU   9  -3.302  11.274  -6.490
   70    HG   LEU   9           HG       LEU   9  -4.592  10.026  -4.239
   71   HD11  LEU   9          1HD1      LEU   9  -1.737  10.721  -3.677
   72   HD12  LEU   9          2HD1      LEU   9  -2.191   9.078  -4.128
   73   HD13  LEU   9          3HD1      LEU   9  -2.886   9.820  -2.687
   74   HD21  LEU   9          3HD2      LEU   9  -3.987  12.190  -3.190
   75   HD22  LEU   9          1HD2      LEU   9  -4.794  12.368  -4.748
   76   HD23  LEU   9          2HD2      LEU   9  -3.048  12.587  -4.630
   77    H    ALA  10           H        ALA  10  -3.406   8.728  -8.889
   78    HA   ALA  10           HA       ALA  10  -3.417   9.231 -11.110
   79    HB1  ALA  10           1HB      ALA  10  -5.414   9.863 -12.125
   80    HB2  ALA  10           2HB      ALA  10  -5.940   9.050 -10.651
   81    HB3  ALA  10           3HB      ALA  10  -5.935  10.811 -10.732
   82    H    MET  11           H        MET  11  -1.608  10.653 -10.079
   83    HA   MET  11           HA       MET  11  -1.974  13.453  -9.939
   84    HB2  MET  11           1HB      MET  11   0.487  11.746 -10.300
   85    HB3  MET  11           2HB      MET  11   0.555  13.497 -10.153
   86    HG2  MET  11           1HG      MET  11  -0.445  13.378  -7.950
   87    HG3  MET  11           2HG      MET  11  -0.600  11.629  -8.097
   88    HE1  MET  11           3HE      MET  11   0.974  10.051  -8.157
   89    HE2  MET  11           1HE      MET  11   2.564  10.404  -8.833
   90    HE3  MET  11           2HE      MET  11   2.389  10.099  -7.105
   91    H    CYS  12           H        CYS  12   0.017  11.722 -12.335
   92    HA   CYS  12           HA       CYS  12   0.184  13.755 -14.192
   93    HB2  CYS  12           1HB      CYS  12   0.899  12.119 -15.769
   94    HB3  CYS  12           2HB      CYS  12   1.446  11.562 -14.191
   95    H    GLY  13           H        GLY  13  -0.878  14.121 -16.216
   96    HA2  GLY  13           1HA      GLY  13  -2.673  13.928 -17.730
   97    HA3  GLY  13           2HA      GLY  13  -3.514  12.912 -16.568
   98    H    ALA  14           H        ALA  14  -2.804  15.007 -14.461
   99    HA   ALA  14           HA       ALA  14  -5.008  16.843 -15.131
  100    HB1  ALA  14           1HB      ALA  14  -4.034  15.918 -12.431
  101    HB2  ALA  14           2HB      ALA  14  -5.321  17.094 -12.699
  102    HB3  ALA  14           3HB      ALA  14  -5.523  15.427 -13.239
  103    H    GLY  15           H        GLY  15  -2.110  17.125 -15.784
  104    HA2  GLY  15           1HA      GLY  15  -1.101  19.286 -16.091
  105    HA3  GLY  15           2HA      GLY  15  -1.754  19.767 -14.532
  106    H    TYR  16           H        TYR  16  -0.849  16.976 -13.574
  107    HA   TYR  16           HA       TYR  16   1.507  17.804 -12.308
  108    HB2  TYR  16           1HB      TYR  16  -0.011  15.283 -12.552
  109    HB3  TYR  16           2HB      TYR  16   1.696  15.098 -12.163
  110    HD1  TYR  16           HD2      TYR  16  -1.485  16.601 -11.030
  111    HD2  TYR  16           HD1      TYR  16   2.528  15.630 -10.001
  112    HE1  TYR  16           HE2      TYR  16  -1.975  17.102  -8.673
  113    HE2  TYR  16           HE1      TYR  16   2.049  16.127  -7.640
  114    HH   TYR  16           HH       TYR  16  -0.009  16.174  -6.150
  115    H    ASP  17           H        ASP  17   0.961  16.148 -15.335
  116    HA   ASP  17           HA       ASP  17   3.869  16.178 -15.815
  117    HB2  ASP  17           1HB      ASP  17   1.850  14.136 -16.768
  118    HB3  ASP  17           2HB      ASP  17   3.532  14.197 -17.285
  119    H    SER  18           H        SER  18   4.054  15.701 -18.420
  120    HA   SER  18           HA       SER  18   2.952  18.110 -19.585
  121    HB2  SER  18           1HB      SER  18   4.971  16.070 -20.488
  122    HB3  SER  18           2HB      SER  18   4.330  17.269 -21.611
  123    H    GLY  19           H        GLY  19   0.741  17.211 -19.344
  124    HA2  GLY  19           1HA      GLY  19  -0.279  15.095 -18.908
  125    HA3  GLY  19           2HA      GLY  19  -0.763  15.507 -20.547
  126    H    THR  20           H        THR  20   1.668  13.753 -18.667
  127    HA   THR  20           HA       THR  20   1.657  11.638 -20.653
  128    HB   THR  20           HB       THR  20   3.443  13.262 -21.385
  129    HG1  THR  20           HG1      THR  20   3.553  11.050 -21.958
  130   HG21  THR  20          3HG2      THR  20   4.206  13.923 -19.141
  131   HG22  THR  20          1HG2      THR  20   5.532  13.311 -20.130
  132   HG23  THR  20          2HG2      THR  20   4.821  12.291 -18.879
  133    H    CYS  21           H        CYS  21   2.061   9.662 -19.786
  134    HA   CYS  21           HA       CYS  21   3.069   9.556 -17.024
  135    HB2  CYS  21           1HB      CYS  21   0.825   7.810 -18.036
  136    HB3  CYS  21           2HB      CYS  21   1.388   7.992 -16.377
  137    H    ASP  22           H        ASP  22   3.206   6.959 -16.533
  138    HA   ASP  22           HA       ASP  22   4.311   5.511 -18.782
  139    HB2  ASP  22           1HB      ASP  22   6.004   6.947 -16.906
  140    HB3  ASP  22           2HB      ASP  22   6.353   5.220 -16.907
  141    H    TYR  23           H        TYR  23   4.910   5.255 -15.291
  142    HA   TYR  23           HA       TYR  23   4.373   2.489 -15.212
  143    HB2  TYR  23           1HB      TYR  23   4.239   4.362 -12.850
  144    HB3  TYR  23           2HB      TYR  23   4.645   2.650 -12.847
  145    HD1  TYR  23           HD2      TYR  23   6.649   2.329 -14.858
  146    HD2  TYR  23           HD1      TYR  23   6.074   5.596 -12.194
  147    HE1  TYR  23           HE2      TYR  23   9.036   2.891 -15.042
  148    HE2  TYR  23           HE1      TYR  23   8.460   6.168 -12.371
  149    HH   TYR  23           HH       TYR  23  10.385   5.735 -13.409
  150    H    MET  24           H        MET  24   2.334   5.272 -14.977
  151    HA   MET  24           HA       MET  24   0.157   4.156 -13.589
  152    HB2  MET  24           1HB      MET  24   0.358   6.397 -15.593
  153    HB3  MET  24           2HB      MET  24  -1.167   5.949 -14.840
  154    HG2  MET  24           1HG      MET  24  -0.509   7.604 -13.432
  155    HG3  MET  24           2HG      MET  24   0.227   6.218 -12.629
  156    HE1  MET  24           3HE      MET  24   2.570   6.888 -11.505
  157    HE2  MET  24           1HE      MET  24   2.588   5.570 -12.677
  158    HE3  MET  24           2HE      MET  24   3.870   6.781 -12.693
  159    H    TYR  25           H        TYR  25   0.924   4.288 -17.046
  160    HA   TYR  25           HA       TYR  25  -1.471   3.067 -17.929
  161    HB2  TYR  25           1HB      TYR  25   1.231   3.508 -19.163
  162    HB3  TYR  25           2HB      TYR  25   0.019   2.537 -19.993
  163    HD1  TYR  25           HD1      TYR  25  -0.041   5.763 -18.093
  164    HD2  TYR  25           HD2      TYR  25  -1.019   3.701 -21.683
  165    HE1  TYR  25           HE1      TYR  25  -1.062   7.815 -18.985
  166    HE2  TYR  25           HE2      TYR  25  -2.042   5.747 -22.586
  167    HH   TYR  25           HH       TYR  25  -3.029   8.204 -20.908
  168    H    SER  26           H        SER  26   1.135   1.824 -16.225
  169    HA   SER  26           HA       SER  26   1.016  -0.848 -17.343
  170    HB2  SER  26           1HB      SER  26   3.129   0.249 -16.429
  171    HB3  SER  26           2HB      SER  26   2.451  -0.011 -14.822
  172    HG   SER  26           HG       SER  26   3.273  -1.912 -16.733
  173    H    HIS  27           H        HIS  27  -1.417   0.242 -16.215
  174    HA   HIS  27           HA       HIS  27  -3.146  -0.338 -14.852
  175    HB2  HIS  27           1HB      HIS  27  -1.626  -2.892 -15.194
  176    HB3  HIS  27           2HB      HIS  27  -2.974  -2.846 -14.060
  177    HD1  HIS  27           HD1      HIS  27  -4.945  -1.117 -15.662
  178    HD2  HIS  27           HD2      HIS  27  -2.733  -4.237 -17.284
  179    HE1  HIS  27           HE1      HIS  27  -6.217  -1.853 -17.703
  180    H    CYS  28           H        CYS  28  -1.487   1.199 -13.496
  181    HA   CYS  28           HA       CYS  28  -1.141  -0.133 -10.889
  182    HB2  CYS  28           1HB      CYS  28   0.857   0.981 -12.306
  183    HB3  CYS  28           2HB      CYS  28   0.304   2.402 -11.426
  184    H    PHE  29           H        PHE  29  -2.671   2.382 -12.634
  185    HA   PHE  29           HA       PHE  29  -3.670   3.546 -10.118
  186    HB2  PHE  29           1HB      PHE  29  -3.028   4.813 -12.763
  187    HB3  PHE  29           2HB      PHE  29  -4.206   5.555 -11.686
  188    HD1  PHE  29           HD2      PHE  29  -0.871   3.939 -11.227
  189    HD2  PHE  29           HD1      PHE  29  -3.340   7.339 -10.548
  190    HE1  PHE  29           HE2      PHE  29   0.957   5.013  -9.978
  191    HE2  PHE  29           HE1      PHE  29  -1.516   8.419  -9.299
  192    HZ   PHE  29           HZ       PHE  29   0.636   7.256  -9.013
  193    H    GLY  30           H        GLY  30  -4.458   2.173 -13.208
  194    HA2  GLY  30           1HA      GLY  30  -6.510   1.057 -13.616
  195    HA3  GLY  30           2HA      GLY  30  -7.270   2.060 -12.390
  196    H    VAL  31           H        VAL  31  -5.220   3.470 -14.821
  197    HA   VAL  31           HA       VAL  31  -7.563   4.847 -15.923
  198    HB   VAL  31           HB       VAL  31  -5.974   6.463 -16.858
  199   HG11  VAL  31          1HG1      VAL  31  -6.171   5.873 -13.981
  200   HG12  VAL  31          2HG1      VAL  31  -4.882   6.987 -14.443
  201   HG13  VAL  31          3HG1      VAL  31  -6.556   7.348 -14.868
  202   HG21  VAL  31          3HG2      VAL  31  -3.935   5.642 -17.315
  203   HG22  VAL  31          1HG2      VAL  31  -3.572   6.047 -15.637
  204   HG23  VAL  31          2HG2      VAL  31  -4.047   4.403 -16.065
  205    H    LYS  32           H        LYS  32  -4.861   2.800 -16.814
  206    HA   LYS  32           HA       LYS  32  -4.921   3.006 -19.576
  207    HB2  LYS  32           1HB      LYS  32  -3.160   1.758 -18.620
  208    HB3  LYS  32           2HB      LYS  32  -4.266   0.709 -17.744
  209    HG2  LYS  32           1HG      LYS  32  -3.208  -0.427 -19.635
  210    HG3  LYS  32           2HG      LYS  32  -4.962  -0.340 -19.810
  211    HD2  LYS  32           1HD      LYS  32  -3.910   0.166 -21.927
  212    HD3  LYS  32           2HD      LYS  32  -4.682   1.620 -21.290
  213    HE2  LYS  32           1HE      LYS  32  -2.745   2.690 -21.467
  214    HE3  LYS  32           2HE      LYS  32  -2.052   1.586 -20.280
  215    HZ1  LYS  32           3HZ      LYS  32  -1.150   1.843 -22.775
  216    HZ2  LYS  32           1HZ      LYS  32  -2.230   0.557 -22.984
  217    HZ3  LYS  32           2HZ      LYS  32  -0.974   0.433 -21.858
  218    H    HIS  33           H        HIS  33  -6.490   2.670 -20.993
  219    HA   HIS  33           HA       HIS  33  -8.953   1.437 -20.296
  220    HB2  HIS  33           1HB      HIS  33  -7.796   2.423 -22.897
  221    HB3  HIS  33           2HB      HIS  33  -9.372   1.641 -22.821
  222    HD1  HIS  33           HD1      HIS  33  -7.677   4.850 -22.256
  223    HD2  HIS  33           HD2      HIS  33 -11.326   3.111 -21.293
  224    HE1  HIS  33           HE1      HIS  33  -9.162   6.752 -21.546
  225    H    SER  34           H        SER  34  -9.915  -0.428 -21.312
  226    HA   SER  34           HA       SER  34  -8.191  -2.683 -21.286
  227    HB2  SER  34           1HB      SER  34 -10.256  -3.928 -22.019
  228    HB3  SER  34           2HB      SER  34 -10.462  -2.966 -20.555
  229    HG   SER  34           HG       SER  34 -12.198  -2.581 -21.906
  230    H    SER  35           H        SER  35  -6.747  -2.996 -22.856
  231    HA   SER  35           HA       SER  35  -6.824  -2.021 -25.445
  232    HB2  SER  35           1HB      SER  35  -5.514  -4.655 -24.817
  233    HB3  SER  35           2HB      SER  35  -4.959  -3.373 -25.893
  234    HG   SER  35           HG       SER  35  -3.950  -3.631 -23.692
  235    H    GLY  36           H        GLY  36  -7.004  -3.254 -27.488
  236    HA2  GLY  36           1HA      GLY  36  -9.490  -4.753 -27.489
  237    HA3  GLY  36           2HA      GLY  36  -8.613  -4.184 -28.901
  238    H    GLY  37           H        GLY  37  -6.838  -5.417 -29.688
  239    HA2  GLY  37           1HA      GLY  37  -7.089  -8.262 -28.995
  240    HA3  GLY  37           2HA      GLY  37  -6.445  -7.627 -30.502
  241    H    GLY  38           H        GLY  38  -5.370  -9.532 -28.422
  242    HA2  GLY  38           1HA      GLY  38  -2.934  -8.061 -27.660
  243    HA3  GLY  38           2HA      GLY  38  -3.492  -9.553 -26.918
  244    H    GLY  39           H        GLY  39  -0.869  -8.949 -28.025
  245    HA2  GLY  39           1HA      GLY  39  -0.758 -11.161 -29.965
  246    HA3  GLY  39           2HA      GLY  39   0.062  -9.648 -30.323
  247    H    SER  40           H        SER  40  -0.188 -11.853 -27.528
  248    HA   SER  40           HA       SER  40   2.674 -11.472 -27.050
  249    HB2  SER  40           1HB      SER  40   2.106 -12.782 -24.907
  250    HB3  SER  40           2HB      SER  40   1.457 -11.149 -25.056
  251    HG   SER  40           HG       SER  40  -0.529 -11.966 -25.477
  252    H    TYR  41           H        TYR  41   3.984 -12.856 -28.031
  253    HA   TYR  41           HA       TYR  41   3.323 -15.712 -27.956
  254    HB2  TYR  41           1HB      TYR  41   2.886 -14.456 -30.240
  255    HB3  TYR  41           2HB      TYR  41   4.629 -14.627 -30.416
  256    HD1  TYR  41           HD2      TYR  41   5.644 -16.836 -30.657
  257    HD2  TYR  41           HD1      TYR  41   1.426 -16.382 -30.334
  258    HE1  TYR  41           HE2      TYR  41   5.340 -19.137 -31.470
  259    HE2  TYR  41           HE1      TYR  41   1.110 -18.683 -31.145
  260    HH   TYR  41           HH       TYR  41   3.392 -20.414 -32.698
  261    H    HIS  42           H        HIS  42   5.198 -17.110 -28.271
  262    HA   HIS  42           HA       HIS  42   7.582 -15.911 -27.083
  263    HB2  HIS  42           1HB      HIS  42   6.641 -18.757 -27.396
  264    HB3  HIS  42           2HB      HIS  42   8.274 -18.365 -26.866
  265    HD1  HIS  42           HD1      HIS  42   8.473 -17.097 -24.548
  266    HD2  HIS  42           HD2      HIS  42   4.699 -18.578 -25.457
  267    HE1  HIS  42           HE1      HIS  42   7.199 -17.068 -22.380
  268    H    CYS  43           H        CYS  43   7.105 -15.275 -29.780
  269    HA   CYS  43           HA       CYS  43   8.851 -16.967 -31.372
  270    HB2  CYS  43           1HB      CYS  43   6.872 -16.138 -32.472
  271    HB3  CYS  43           2HB      CYS  43   7.270 -14.478 -32.039
  272    H1   NAG 101           H1       NAG 100   5.251  19.418 -21.394
  273    H2   NAG 101           HC2      NAG 100   7.022  20.106 -18.984
  274    H3   NAG 101           HC3      NAG 100   5.891  21.876 -21.229
  275    H4   NAG 101           HC4      NAG 100   8.771  20.903 -20.753
  276    H5   NAG 101           H5       NAG 100   6.681  20.066 -22.843
  277    H61  NAG 101           1H6      NAG 100   9.013  20.248 -23.755
  278    H62  NAG 101           2H6      NAG 100   9.617  19.237 -22.435
  279    H81  NAG 101           3H8      NAG 100   3.353  21.591 -17.059
  280    H82  NAG 101           1H8      NAG 100   2.588  20.091 -17.684
  281    H83  NAG 101           2H8      NAG 100   3.458  20.068 -16.113
  282    HN2  NAG 101           H2       NAG 100   4.370  21.352 -19.444
  283    HO3  NAG 101           H3       NAG 100   7.387  23.405 -20.282
  284    HO4  NAG 101           H4       NAG 100   9.256  22.125 -22.499
  285    HO6  NAG 101           HO6      NAG 100   7.811  17.672 -23.251
  286    H1   NAG 102           H1       NAG 200  10.388 -15.440 -34.721
  287    H2   NAG 102           HC2      NAG 200   9.918 -13.959 -37.368
  288    H3   NAG 102           HC3      NAG 200  12.511 -14.931 -36.033
  289    H4   NAG 102           HC4      NAG 200  11.411 -12.075 -36.346
  290    H5   NAG 102           H5       NAG 200  11.607 -13.899 -33.882
  291    H61  NAG 102           1H6      NAG 200  12.164 -11.496 -33.413
  292    H62  NAG 102           2H6      NAG 200  10.666 -10.986 -34.205
  293    H81  NAG 102           3H8      NAG 200  10.259 -18.335 -38.353
  294    H82  NAG 102           1H8      NAG 200   8.488 -18.214 -38.623
  295    H83  NAG 102           2H8      NAG 200   9.630 -17.613 -39.873
  296    HN2  NAG 102           H2       NAG 200  11.253 -16.603 -37.215
  297    HO3  NAG 102           H3       NAG 200  13.447 -13.611 -37.722
  298    HO4  NAG 102           H4       NAG 200  13.281 -11.469 -35.391
  299    HO6  NAG 102           HO6      NAG 200   9.641 -12.627 -32.582
  Start of MODEL   17
    1    H1   LYS   1           H        LYS   1   1.920  -2.104  -3.561
    2    HA   LYS   1           HA       LYS   1   1.873  -2.186  -6.497
    3    HB2  LYS   1           1HB      LYS   1   2.161   0.294  -6.520
    4    HB3  LYS   1           2HB      LYS   1   0.590  -0.235  -5.932
    5    HG2  LYS   1           1HG      LYS   1   1.740  -0.049  -3.590
    6    HG3  LYS   1           2HG      LYS   1   2.843   1.026  -4.451
    7    HD2  LYS   1           1HD      LYS   1   1.212   2.477  -3.653
    8    HD3  LYS   1           2HD      LYS   1   0.690   2.168  -5.311
    9    HE2  LYS   1           1HE      LYS   1  -1.251   1.984  -3.987
   10    HE3  LYS   1           2HE      LYS   1  -0.770   0.329  -4.357
   11    HZ1  LYS   1           3HZ      LYS   1   0.474   1.177  -1.970
   12    HZ2  LYS   1           1HZ      LYS   1  -0.607  -0.103  -2.206
   13    HZ3  LYS   1           2HZ      LYS   1  -1.192   1.445  -1.856
   14    HA   PRO   2           HA       PRO   2   6.252  -2.364  -6.257
   15    HB2  PRO   2           1HB      PRO   2   6.966  -1.041  -8.518
   16    HB3  PRO   2           2HB      PRO   2   6.250  -2.657  -8.536
   17    HG2  PRO   2           1HG      PRO   2   4.949  -0.002  -9.008
   18    HG3  PRO   2           2HG      PRO   2   4.734  -1.526  -9.889
   19    HD2  PRO   2           1HD      PRO   2   2.971  -0.659  -8.025
   20    HD3  PRO   2           2HD      PRO   2   3.292  -2.382  -8.308
   21    H    ALA   3           H        ALA   3   8.211  -0.709  -6.924
   22    HA   ALA   3           HA       ALA   3   7.896   1.487  -5.042
   23    HB1  ALA   3           1HB      ALA   3  10.267   1.654  -5.045
   24    HB2  ALA   3           2HB      ALA   3   9.868  -0.064  -4.996
   25    HB3  ALA   3           3HB      ALA   3  10.397   0.675  -6.507
   26    H    TRP   4           H        TRP   4   6.973   1.271  -8.039
   27    HA   TRP   4           HA       TRP   4   8.205   3.754  -9.001
   28    HB2  TRP   4           1HB      TRP   4   6.303   2.286 -10.734
   29    HB3  TRP   4           2HB      TRP   4   7.843   3.042 -11.134
   30    HD1  TRP   4           HD1      TRP   4   9.852   1.448  -9.398
   31    HE1  TRP   4           HE1      TRP   4  10.279  -1.055  -9.814
   32    HE3  TRP   4           HE3      TRP   4   5.526   0.286 -11.861
   33    HZ2  TRP   4           HZ2      TRP   4   8.957  -3.235 -11.026
   34    HZ3  TRP   4           HZ3      TRP   4   5.185  -2.031 -12.616
   35    HH2  TRP   4           HH2      TRP   4   6.866  -3.754 -12.207
   36    H    CYS   5           H        CYS   5   5.084   2.278  -8.271
   37    HA   CYS   5           HA       CYS   5   3.664   4.735  -8.893
   38    HB2  CYS   5           1HB      CYS   5   2.476   2.279  -7.614
   39    HB3  CYS   5           2HB      CYS   5   1.667   3.506  -8.583
   40    H    TRP   6           H        TRP   6   1.701   4.822  -7.004
   41    HA   TRP   6           HA       TRP   6   2.928   4.915  -4.374
   42    HB2  TRP   6           1HB      TRP   6   3.136   7.169  -5.881
   43    HB3  TRP   6           2HB      TRP   6   1.594   7.453  -5.078
   44    HD1  TRP   6           HD1      TRP   6   5.253   7.747  -4.537
   45    HE1  TRP   6           HE1      TRP   6   5.746   8.386  -2.093
   46    HE3  TRP   6           HE3      TRP   6   0.624   6.919  -2.531
   47    HZ2  TRP   6           HZ2      TRP   6   4.357   8.520   0.361
   48    HZ3  TRP   6           HZ3      TRP   6   0.290   7.326  -0.128
   49    HH2  TRP   6           HH2      TRP   6   2.119   8.110   1.287
   50    H    TYR   7           H        TYR   7   0.099   5.628  -6.377
   51    HA   TYR   7           HA       TYR   7  -1.667   4.088  -4.857
   52    HB2  TYR   7           1HB      TYR   7  -1.083   6.359  -3.465
   53    HB3  TYR   7           2HB      TYR   7  -2.506   6.869  -4.366
   54    HD1  TYR   7           HD2      TYR   7  -1.523   3.679  -2.674
   55    HD2  TYR   7           HD1      TYR   7  -4.387   6.804  -3.039
   56    HE1  TYR   7           HE2      TYR   7  -2.961   2.544  -1.033
   57    HE2  TYR   7           HE1      TYR   7  -5.833   5.678  -1.398
   58    HH   TYR   7           HH       TYR   7  -4.778   2.759   0.284
   59    H    THR   8           H        THR   8  -4.069   5.341  -5.207
   60    HA   THR   8           HA       THR   8  -4.245   5.422  -8.124
   61    HB   THR   8           HB       THR   8  -6.610   5.410  -6.267
   62    HG1  THR   8           HG1      THR   8  -5.134   3.138  -7.165
   63   HG21  THR   8          3HG2      THR   8  -7.767   5.179  -8.156
   64   HG22  THR   8          1HG2      THR   8  -6.813   3.767  -8.609
   65   HG23  THR   8          2HG2      THR   8  -6.269   5.382  -9.063
   66    H    LEU   9           H        LEU   9  -3.337   7.693  -6.368
   67    HA   LEU   9           HA       LEU   9  -5.301   9.689  -6.246
   68    HB2  LEU   9           1HB      LEU   9  -2.308   9.745  -6.372
   69    HB3  LEU   9           2HB      LEU   9  -3.243  11.239  -6.370
   70    HG   LEU   9           HG       LEU   9  -3.228   9.148  -4.193
   71   HD11  LEU   9          1HD1      LEU   9  -2.200  11.023  -2.884
   72   HD12  LEU   9          2HD1      LEU   9  -1.991  11.884  -4.408
   73   HD13  LEU   9          3HD1      LEU   9  -1.174  10.343  -4.147
   74   HD21  LEU   9          3HD2      LEU   9  -5.381  10.091  -4.184
   75   HD22  LEU   9          1HD2      LEU   9  -4.767  11.705  -4.545
   76   HD23  LEU   9          2HD2      LEU   9  -4.480  10.987  -2.960
   77    H    ALA  10           H        ALA  10  -3.118   8.715  -8.827
   78    HA   ALA  10           HA       ALA  10  -3.100   9.171 -11.058
   79    HB1  ALA  10           1HB      ALA  10  -5.101   9.479 -12.132
   80    HB2  ALA  10           2HB      ALA  10  -5.661   8.864 -10.576
   81    HB3  ALA  10           3HB      ALA  10  -5.711  10.595 -10.910
   82    H    MET  11           H        MET  11  -1.440  10.752 -10.038
   83    HA   MET  11           HA       MET  11  -2.044  13.517  -9.954
   84    HB2  MET  11           1HB      MET  11   0.601  12.098 -10.313
   85    HB3  MET  11           2HB      MET  11   0.425  13.818  -9.994
   86    HG2  MET  11           1HG      MET  11  -0.260  13.484  -7.820
   87    HG3  MET  11           2HG      MET  11  -0.798  11.836  -8.135
   88    HE1  MET  11           3HE      MET  11   1.465   9.559  -7.749
   89    HE2  MET  11           1HE      MET  11   1.425  10.205  -6.109
   90    HE3  MET  11           2HE      MET  11  -0.024  10.261  -7.113
   91    H    CYS  12           H        CYS  12   0.039  11.814 -12.300
   92    HA   CYS  12           HA       CYS  12   0.190  13.822 -14.185
   93    HB2  CYS  12           1HB      CYS  12   0.940  12.176 -15.732
   94    HB3  CYS  12           2HB      CYS  12   1.477  11.641 -14.142
   95    H    GLY  13           H        GLY  13  -0.871  14.156 -16.212
   96    HA2  GLY  13           1HA      GLY  13  -2.655  13.887 -17.737
   97    HA3  GLY  13           2HA      GLY  13  -3.500  12.914 -16.541
   98    H    ALA  14           H        ALA  14  -2.927  14.971 -14.444
   99    HA   ALA  14           HA       ALA  14  -5.103  16.798 -15.189
  100    HB1  ALA  14           1HB      ALA  14  -5.331  17.173 -12.747
  101    HB2  ALA  14           2HB      ALA  14  -5.587  15.496 -13.230
  102    HB3  ALA  14           3HB      ALA  14  -4.063  15.976 -12.483
  103    H    GLY  15           H        GLY  15  -2.176  17.061 -15.857
  104    HA2  GLY  15           1HA      GLY  15  -1.218  19.228 -16.308
  105    HA3  GLY  15           2HA      GLY  15  -1.866  19.784 -14.772
  106    H    TYR  16           H        TYR  16  -0.913  17.072 -13.659
  107    HA   TYR  16           HA       TYR  16   1.427  17.992 -12.447
  108    HB2  TYR  16           1HB      TYR  16  -0.032  15.434 -12.591
  109    HB3  TYR  16           2HB      TYR  16   1.683  15.289 -12.227
  110    HD1  TYR  16           HD1      TYR  16   2.611  16.445 -10.213
  111    HD2  TYR  16           HD2      TYR  16  -1.571  16.227 -10.968
  112    HE1  TYR  16           HE1      TYR  16   2.163  17.007  -7.861
  113    HE2  TYR  16           HE2      TYR  16  -2.030  16.790  -8.618
  114    HH   TYR  16           HH       TYR  16  -0.808  16.592  -6.406
  115    H    ASP  17           H        ASP  17   0.929  16.195 -15.406
  116    HA   ASP  17           HA       ASP  17   3.837  16.274 -15.881
  117    HB2  ASP  17           1HB      ASP  17   1.842  14.197 -16.809
  118    HB3  ASP  17           2HB      ASP  17   3.527  14.265 -17.319
  119    H    SER  18           H        SER  18   4.037  15.748 -18.478
  120    HA   SER  18           HA       SER  18   2.924  18.128 -19.692
  121    HB2  SER  18           1HB      SER  18   4.979  16.099 -20.521
  122    HB3  SER  18           2HB      SER  18   4.314  17.228 -21.700
  123    H    GLY  19           H        GLY  19   0.719  17.211 -19.442
  124    HA2  GLY  19           1HA      GLY  19  -0.282  15.094 -18.972
  125    HA3  GLY  19           2HA      GLY  19  -0.765  15.473 -20.619
  126    H    THR  20           H        THR  20   1.678  13.775 -18.704
  127    HA   THR  20           HA       THR  20   1.691  11.624 -20.649
  128    HB   THR  20           HB       THR  20   3.457  13.249 -21.419
  129    HG1  THR  20           HG1      THR  20   3.621  11.053 -21.970
  130   HG21  THR  20          3HG2      THR  20   5.532  13.384 -20.170
  131   HG22  THR  20          1HG2      THR  20   4.872  12.345 -18.908
  132   HG23  THR  20          2HG2      THR  20   4.199  13.954 -19.167
  133    H    CYS  21           H        CYS  21   2.126   9.669 -19.748
  134    HA   CYS  21           HA       CYS  21   3.139   9.625 -16.988
  135    HB2  CYS  21           1HB      CYS  21   0.903   7.843 -17.952
  136    HB3  CYS  21           2HB      CYS  21   1.472   8.065 -16.301
  137    H    ASP  22           H        ASP  22   3.243   7.007 -16.469
  138    HA   ASP  22           HA       ASP  22   4.397   5.561 -18.698
  139    HB2  ASP  22           1HB      ASP  22   6.042   6.972 -16.758
  140    HB3  ASP  22           2HB      ASP  22   6.384   5.244 -16.773
  141    H    TYR  23           H        TYR  23   4.904   5.277 -15.195
  142    HA   TYR  23           HA       TYR  23   4.337   2.515 -15.152
  143    HB2  TYR  23           1HB      TYR  23   4.160   4.355 -12.768
  144    HB3  TYR  23           2HB      TYR  23   4.580   2.646 -12.789
  145    HD1  TYR  23           HD2      TYR  23   6.584   2.506 -14.914
  146    HD2  TYR  23           HD1      TYR  23   6.011   5.462 -11.908
  147    HE1  TYR  23           HE2      TYR  23   8.970   3.091 -15.042
  148    HE2  TYR  23           HE1      TYR  23   8.395   6.056 -12.028
  149    HH   TYR  23           HH       TYR  23  10.691   4.142 -13.540
  150    H    MET  24           H        MET  24   2.325   5.319 -14.933
  151    HA   MET  24           HA       MET  24   0.107   4.212 -13.603
  152    HB2  MET  24           1HB      MET  24   0.381   6.476 -15.572
  153    HB3  MET  24           2HB      MET  24  -1.169   6.036 -14.866
  154    HG2  MET  24           1HG      MET  24  -0.524   7.670 -13.425
  155    HG3  MET  24           2HG      MET  24   0.157   6.262 -12.614
  156    HE1  MET  24           3HE      MET  24   2.554   5.582 -12.593
  157    HE2  MET  24           1HE      MET  24   3.798   6.826 -12.470
  158    HE3  MET  24           2HE      MET  24   2.404   6.864 -11.391
  159    H    TYR  25           H        TYR  25   0.950   4.375 -17.041
  160    HA   TYR  25           HA       TYR  25  -1.440   3.193 -17.989
  161    HB2  TYR  25           1HB      TYR  25   1.291   3.620 -19.161
  162    HB3  TYR  25           2HB      TYR  25   0.089   2.671 -20.028
  163    HD1  TYR  25           HD1      TYR  25   0.029   5.878 -18.097
  164    HD2  TYR  25           HD2      TYR  25  -0.910   3.861 -21.723
  165    HE1  TYR  25           HE1      TYR  25  -0.955   7.949 -18.987
  166    HE2  TYR  25           HE2      TYR  25  -1.896   5.926 -22.624
  167    HH   TYR  25           HH       TYR  25  -2.672   8.001 -22.045
  168    H    SER  26           H        SER  26   1.105   1.900 -16.237
  169    HA   SER  26           HA       SER  26   0.992  -0.755 -17.394
  170    HB2  SER  26           1HB      SER  26   3.065   0.387 -16.338
  171    HB3  SER  26           2HB      SER  26   2.343  -0.069 -14.795
  172    HG   SER  26           HG       SER  26   2.577  -2.179 -15.293
  173    H    HIS  27           H        HIS  27  -1.438   0.418 -16.249
  174    HA   HIS  27           HA       HIS  27  -3.204  -0.157 -14.933
  175    HB2  HIS  27           1HB      HIS  27  -2.473  -2.394 -16.155
  176    HB3  HIS  27           2HB      HIS  27  -2.085  -2.892 -14.511
  177    HD1  HIS  27           HD1      HIS  27  -4.003  -4.661 -14.643
  178    HD2  HIS  27           HD2      HIS  27  -5.258  -0.712 -14.945
  179    HE1  HIS  27           HE1      HIS  27  -6.494  -4.719 -14.301
  180    H    CYS  28           H        CYS  28  -1.481   1.246 -13.499
  181    HA   CYS  28           HA       CYS  28  -1.226  -0.210 -10.949
  182    HB2  CYS  28           1HB      CYS  28   0.835   0.871 -12.296
  183    HB3  CYS  28           2HB      CYS  28   0.333   2.280 -11.368
  184    H    PHE  29           H        PHE  29  -2.669   2.405 -12.596
  185    HA   PHE  29           HA       PHE  29  -3.606   3.537 -10.041
  186    HB2  PHE  29           1HB      PHE  29  -2.975   4.849 -12.669
  187    HB3  PHE  29           2HB      PHE  29  -4.094   5.602 -11.537
  188    HD1  PHE  29           HD2      PHE  29  -0.802   3.862 -11.239
  189    HD2  PHE  29           HD1      PHE  29  -3.135   7.312 -10.360
  190    HE1  PHE  29           HE2      PHE  29   1.100   4.832 -10.016
  191    HE2  PHE  29           HE1      PHE  29  -1.237   8.288  -9.136
  192    HZ   PHE  29           HZ       PHE  29   0.884   7.049  -8.964
  193    H    GLY  30           H        GLY  30  -4.470   2.187 -13.104
  194    HA2  GLY  30           1HA      GLY  30  -6.525   1.246 -13.674
  195    HA3  GLY  30           2HA      GLY  30  -7.235   1.999 -12.254
  196    H    VAL  31           H        VAL  31  -5.370   3.781 -14.618
  197    HA   VAL  31           HA       VAL  31  -7.789   5.307 -15.279
  198    HB   VAL  31           HB       VAL  31  -6.283   7.066 -16.072
  199   HG11  VAL  31          1HG1      VAL  31  -5.763   6.011 -13.301
  200   HG12  VAL  31          2HG1      VAL  31  -5.190   7.584 -13.859
  201   HG13  VAL  31          3HG1      VAL  31  -6.920   7.246 -13.795
  202   HG21  VAL  31          3HG2      VAL  31  -4.291   4.929 -15.767
  203   HG22  VAL  31          1HG2      VAL  31  -4.309   6.323 -16.848
  204   HG23  VAL  31          2HG2      VAL  31  -3.781   6.510 -15.176
  205    H    LYS  32           H        LYS  32  -5.193   3.428 -16.690
  206    HA   LYS  32           HA       LYS  32  -5.421   4.052 -19.366
  207    HB2  LYS  32           1HB      LYS  32  -3.679   2.586 -18.683
  208    HB3  LYS  32           2HB      LYS  32  -4.817   1.435 -17.997
  209    HG2  LYS  32           1HG      LYS  32  -5.359   0.543 -20.031
  210    HG3  LYS  32           2HG      LYS  32  -4.972   2.025 -20.908
  211    HD2  LYS  32           1HD      LYS  32  -2.788   0.535 -19.523
  212    HD3  LYS  32           2HD      LYS  32  -3.401  -0.069 -21.064
  213    HE2  LYS  32           1HE      LYS  32  -3.086   2.518 -21.693
  214    HE3  LYS  32           2HE      LYS  32  -1.838   2.369 -20.457
  215    HZ1  LYS  32           3HZ      LYS  32  -2.081   0.614 -22.840
  216    HZ2  LYS  32           1HZ      LYS  32  -0.848   0.567 -21.683
  217    HZ3  LYS  32           2HZ      LYS  32  -1.003   1.910 -22.698
  218    H    HIS  33           H        HIS  33  -6.669   3.327 -21.077
  219    HA   HIS  33           HA       HIS  33  -9.193   2.014 -20.312
  220    HB2  HIS  33           1HB      HIS  33  -9.263   4.416 -21.175
  221    HB3  HIS  33           2HB      HIS  33  -8.794   3.759 -22.740
  222    HD1  HIS  33           HD1      HIS  33 -10.905   4.064 -24.045
  223    HD2  HIS  33           HD2      HIS  33 -11.559   2.216 -20.382
  224    HE1  HIS  33           HE1      HIS  33 -13.316   3.349 -24.074
  225    H    SER  34           H        SER  34  -9.987   0.341 -21.551
  226    HA   SER  34           HA       SER  34  -8.463  -0.530 -23.883
  227    HB2  SER  34           1HB      SER  34  -8.651  -2.011 -21.292
  228    HB3  SER  34           2HB      SER  34  -8.655  -2.935 -22.794
  229    HG   SER  34           HG       SER  34  -6.585  -2.650 -22.840
  230    H    SER  35           H        SER  35  -9.762  -1.250 -25.444
  231    HA   SER  35           HA       SER  35 -12.601  -1.435 -24.935
  232    HB2  SER  35           1HB      SER  35 -11.768  -0.291 -26.953
  233    HB3  SER  35           2HB      SER  35 -11.051  -1.803 -27.511
  234    HG   SER  35           HG       SER  35 -13.221  -1.205 -28.340
  235    H    GLY  36           H        GLY  36  -9.947  -3.594 -25.750
  236    HA2  GLY  36           1HA      GLY  36 -11.824  -5.869 -25.663
  237    HA3  GLY  36           2HA      GLY  36 -10.267  -5.886 -26.478
  238    H    GLY  37           H        GLY  37  -8.388  -6.234 -25.298
  239    HA2  GLY  37           1HA      GLY  37  -8.089  -6.201 -22.544
  240    HA3  GLY  37           2HA      GLY  37  -8.698  -7.800 -22.944
  241    H    GLY  38           H        GLY  38  -5.962  -6.182 -22.291
  242    HA2  GLY  38           1HA      GLY  38  -4.342  -8.190 -23.673
  243    HA3  GLY  38           2HA      GLY  38  -3.966  -6.501 -23.976
  244    H    GLY  39           H        GLY  39  -2.744  -8.958 -22.439
  245    HA2  GLY  39           1HA      GLY  39  -1.222  -7.424 -20.626
  246    HA3  GLY  39           2HA      GLY  39  -2.488  -8.263 -19.742
  247    H    SER  40           H        SER  40   0.554  -8.507 -19.952
  248    HA   SER  40           HA       SER  40   1.111 -11.040 -21.098
  249    HB2  SER  40           1HB      SER  40   2.649  -9.608 -18.919
  250    HB3  SER  40           2HB      SER  40   3.261 -10.877 -19.980
  251    HG   SER  40           HG       SER  40   3.811  -9.286 -21.230
  252    H    TYR  41           H        TYR  41  -0.059 -10.009 -17.986
  253    HA   TYR  41           HA       TYR  41  -0.289 -12.829 -17.192
  254    HB2  TYR  41           1HB      TYR  41   1.585 -11.362 -16.034
  255    HB3  TYR  41           2HB      TYR  41   0.225 -10.775 -15.084
  256    HD1  TYR  41           HD2      TYR  41  -0.985 -12.278 -13.580
  257    HD2  TYR  41           HD1      TYR  41   2.394 -13.624 -15.788
  258    HE1  TYR  41           HE2      TYR  41  -0.826 -14.253 -12.123
  259    HE2  TYR  41           HE1      TYR  41   2.561 -15.603 -14.338
  260    HH   TYR  41           HH       TYR  41   0.333 -16.814 -12.614
  261    H    HIS  42           H        HIS  42  -1.969 -13.226 -15.586
  262    HA   HIS  42           HA       HIS  42  -4.257 -11.465 -16.035
  263    HB2  HIS  42           1HB      HIS  42  -3.965 -14.302 -15.081
  264    HB3  HIS  42           2HB      HIS  42  -5.475 -13.423 -14.859
  265    HD1  HIS  42           HD1      HIS  42  -6.313 -15.460 -16.480
  266    HD2  HIS  42           HD2      HIS  42  -3.960 -12.504 -18.207
  267    HE1  HIS  42           HE1      HIS  42  -6.684 -15.668 -18.958
  268    H    CYS  43           H        CYS  43  -2.277 -10.468 -14.309
  269    HA   CYS  43           HA       CYS  43  -3.496 -10.733 -11.647
  270    HB2  CYS  43           1HB      CYS  43  -1.420  -9.808 -10.760
  271    HB3  CYS  43           2HB      CYS  43  -1.080 -11.205 -11.775
  272    H1   NAG 101           H1       NAG 100   5.275  19.582 -21.350
  273    H2   NAG 101           HC2      NAG 100   6.937  20.099 -18.823
  274    H3   NAG 101           HC3      NAG 100   5.878  22.026 -20.971
  275    H4   NAG 101           HC4      NAG 100   8.747  21.045 -20.451
  276    H5   NAG 101           H5       NAG 100   6.755  20.352 -22.684
  277    H61  NAG 101           1H6      NAG 100   9.119  20.624 -23.482
  278    H62  NAG 101           2H6      NAG 100   9.681  19.520 -22.218
  279    H81  NAG 101           3H8      NAG 100   3.269  21.359 -16.748
  280    H82  NAG 101           1H8      NAG 100   2.455  20.150 -17.797
  281    H83  NAG 101           2H8      NAG 100   3.164  19.643 -16.227
  282    HN2  NAG 101           H2       NAG 100   4.291  21.353 -19.297
  283    HO3  NAG 101           H3       NAG 100   7.315  23.491 -19.849
  284    HO4  NAG 101           H4       NAG 100   9.288  22.401 -22.077
  285    HO6  NAG 101           HO6      NAG 100   7.929  18.006 -23.226
  286    H1   NAG 102           H1       NAG 200   0.562  -7.884 -11.452
  287    H2   NAG 102           HC2      NAG 200   3.221  -9.308 -10.881
  288    H3   NAG 102           HC3      NAG 200   2.274  -6.460 -10.217
  289    H4   NAG 102           HC4      NAG 200   4.309  -7.417 -12.317
  290    H5   NAG 102           H5       NAG 200   1.450  -6.339 -12.629
  291    H61  NAG 102           1H6      NAG 200   3.048  -5.494 -14.370
  292    H62  NAG 102           2H6      NAG 200   3.571  -7.152 -14.705
  293    H81  NAG 102           3H8      NAG 200   2.063 -10.653  -6.828
  294    H82  NAG 102           1H8      NAG 200   0.579  -9.731  -7.238
  295    H83  NAG 102           2H8      NAG 200   0.687 -11.478  -7.635
  296    HN2  NAG 102           H2       NAG 200   1.499  -8.190  -8.740
  297    HO3  NAG 102           H3       NAG 200   4.540  -6.220  -9.687
  298    HO4  NAG 102           H4       NAG 200   4.592  -5.287 -12.716
  299    HO6  NAG 102           HO6      NAG 200   1.090  -7.518 -15.006
  Start of MODEL   18
    1    H1   LYS   1           H        LYS   1   0.524  -2.384  -4.585
    2    HA   LYS   1           HA       LYS   1   1.852  -2.177  -6.661
    3    HB2  LYS   1           1HB      LYS   1   2.129   0.301  -6.653
    4    HB3  LYS   1           2HB      LYS   1   0.548  -0.234  -6.101
    5    HG2  LYS   1           1HG      LYS   1   1.740  -0.082  -3.738
    6    HG3  LYS   1           2HG      LYS   1   2.737   1.087  -4.606
    7    HD2  LYS   1           1HD      LYS   1   1.022   2.392  -3.726
    8    HD3  LYS   1           2HD      LYS   1   0.494   2.093  -5.383
    9    HE2  LYS   1           1HE      LYS   1  -1.395   1.752  -3.987
   10    HE3  LYS   1           2HE      LYS   1  -0.841   0.157  -4.495
   11    HZ1  LYS   1           3HZ      LYS   1  -1.419   0.392  -2.082
   12    HZ2  LYS   1           1HZ      LYS   1  -0.056   1.380  -1.914
   13    HZ3  LYS   1           2HZ      LYS   1   0.121  -0.232  -2.394
   14    HA   PRO   2           HA       PRO   2   6.222  -2.355  -6.294
   15    HB2  PRO   2           1HB      PRO   2   7.001  -1.011  -8.521
   16    HB3  PRO   2           2HB      PRO   2   6.287  -2.627  -8.575
   17    HG2  PRO   2           1HG      PRO   2   4.997   0.031  -9.060
   18    HG3  PRO   2           2HG      PRO   2   4.810  -1.484  -9.961
   19    HD2  PRO   2           1HD      PRO   2   2.992  -0.637  -8.142
   20    HD3  PRO   2           2HD      PRO   2   3.323  -2.357  -8.431
   21    H    ALA   3           H        ALA   3   8.202  -0.703  -6.868
   22    HA   ALA   3           HA       ALA   3   7.819   1.487  -4.991
   23    HB1  ALA   3           1HB      ALA   3   9.782  -0.085  -4.885
   24    HB2  ALA   3           2HB      ALA   3  10.380   0.688  -6.353
   25    HB3  ALA   3           3HB      ALA   3  10.182   1.633  -4.878
   26    H    TRP   4           H        TRP   4   7.009   1.291  -8.018
   27    HA   TRP   4           HA       TRP   4   8.308   3.754  -8.937
   28    HB2  TRP   4           1HB      TRP   4   6.415   2.313 -10.709
   29    HB3  TRP   4           2HB      TRP   4   7.963   3.063 -11.084
   30    HD1  TRP   4           HD1      TRP   4   9.924   1.451  -9.291
   31    HE1  TRP   4           HE1      TRP   4  10.353  -1.051  -9.718
   32    HE3  TRP   4           HE3      TRP   4   5.669   0.329 -11.894
   33    HZ2  TRP   4           HZ2      TRP   4   9.060  -3.213 -10.990
   34    HZ3  TRP   4           HZ3      TRP   4   5.342  -1.979 -12.681
   35    HH2  TRP   4           HH2      TRP   4   7.004  -3.712 -12.238
   36    H    CYS   5           H        CYS   5   5.127   2.340  -8.328
   37    HA   CYS   5           HA       CYS   5   3.795   4.848  -8.945
   38    HB2  CYS   5           1HB      CYS   5   2.520   2.369  -7.794
   39    HB3  CYS   5           2HB      CYS   5   1.749   3.662  -8.707
   40    H    TRP   6           H        TRP   6   1.762   4.940  -7.131
   41    HA   TRP   6           HA       TRP   6   2.932   4.981  -4.463
   42    HB2  TRP   6           1HB      TRP   6   3.070   7.267  -5.945
   43    HB3  TRP   6           2HB      TRP   6   1.525   7.483  -5.128
   44    HD1  TRP   6           HD1      TRP   6   5.194   7.824  -4.588
   45    HE1  TRP   6           HE1      TRP   6   5.673   8.458  -2.140
   46    HE3  TRP   6           HE3      TRP   6   0.562   6.959  -2.604
   47    HZ2  TRP   6           HZ2      TRP   6   4.273   8.575   0.308
   48    HZ3  TRP   6           HZ3      TRP   6   0.215   7.356  -0.201
   49    HH2  TRP   6           HH2      TRP   6   2.034   8.147   1.224
   50    H    TYR   7           H        TYR   7   0.101   5.725  -6.468
   51    HA   TYR   7           HA       TYR   7  -1.644   4.062  -5.059
   52    HB2  TYR   7           1HB      TYR   7  -1.110   6.289  -3.549
   53    HB3  TYR   7           2HB      TYR   7  -2.575   6.767  -4.398
   54    HD1  TYR   7           HD2      TYR   7  -1.288   3.696  -2.685
   55    HD2  TYR   7           HD1      TYR   7  -4.528   6.396  -3.245
   56    HE1  TYR   7           HE2      TYR   7  -2.633   2.406  -1.079
   57    HE2  TYR   7           HE1      TYR   7  -5.881   5.115  -1.639
   58    HH   TYR   7           HH       TYR   7  -4.713   3.052   0.514
   59    H    THR   8           H        THR   8  -4.062   5.356  -5.333
   60    HA   THR   8           HA       THR   8  -4.224   5.601  -8.246
   61    HB   THR   8           HB       THR   8  -6.600   5.418  -6.412
   62    HG1  THR   8           HG1      THR   8  -6.300   3.304  -6.180
   63   HG21  THR   8          3HG2      THR   8  -6.121   5.374  -9.264
   64   HG22  THR   8          1HG2      THR   8  -7.642   5.517  -8.385
   65   HG23  THR   8          2HG2      THR   8  -6.972   3.924  -8.735
   66    H    LEU   9           H        LEU   9  -3.337   7.774  -6.400
   67    HA   LEU   9           HA       LEU   9  -5.332   9.721  -6.102
   68    HB2  LEU   9           1HB      LEU   9  -2.381   9.666  -6.088
   69    HB3  LEU   9           2HB      LEU   9  -3.125  11.232  -6.404
   70    HG   LEU   9           HG       LEU   9  -4.443  10.863  -4.256
   71   HD11  LEU   9          1HD1      LEU   9  -2.256   8.948  -3.547
   72   HD12  LEU   9          2HD1      LEU   9  -3.762   8.373  -4.264
   73   HD13  LEU   9          3HD1      LEU   9  -3.792   9.245  -2.731
   74   HD21  LEU   9          3HD2      LEU   9  -2.630  11.693  -2.879
   75   HD22  LEU   9          1HD2      LEU   9  -2.553  12.424  -4.482
   76   HD23  LEU   9          2HD2      LEU   9  -1.444  11.122  -4.053
   77    H    ALA  10           H        ALA  10  -3.444   8.750  -8.853
   78    HA   ALA  10           HA       ALA  10  -3.553   9.310 -11.057
   79    HB1  ALA  10           1HB      ALA  10  -5.584   9.904 -11.938
   80    HB2  ALA  10           2HB      ALA  10  -6.084   9.286 -10.363
   81    HB3  ALA  10           3HB      ALA  10  -5.950  11.025 -10.626
   82    H    MET  11           H        MET  11  -1.643  10.641 -10.082
   83    HA   MET  11           HA       MET  11  -1.921  13.458  -9.895
   84    HB2  MET  11           1HB      MET  11   0.509  11.725 -10.364
   85    HB3  MET  11           2HB      MET  11   0.577  13.458 -10.071
   86    HG2  MET  11           1HG      MET  11  -0.125  13.239  -7.865
   87    HG3  MET  11           2HG      MET  11  -0.774  11.623  -8.135
   88    HE1  MET  11           3HE      MET  11   0.879   9.950  -9.387
   89    HE2  MET  11           1HE      MET  11   2.447   9.548  -8.686
   90    HE3  MET  11           2HE      MET  11   0.972   9.286  -7.755
   91    H    CYS  12           H        CYS  12   0.057  11.739 -12.301
   92    HA   CYS  12           HA       CYS  12   0.188  13.775 -14.157
   93    HB2  CYS  12           1HB      CYS  12   0.944  12.158 -15.729
   94    HB3  CYS  12           2HB      CYS  12   1.483  11.596 -14.151
   95    H    GLY  13           H        GLY  13  -0.872  14.105 -16.195
   96    HA2  GLY  13           1HA      GLY  13  -2.665  13.857 -17.709
   97    HA3  GLY  13           2HA      GLY  13  -3.501  12.868 -16.522
   98    H    ALA  14           H        ALA  14  -2.821  14.992 -14.453
   99    HA   ALA  14           HA       ALA  14  -5.010  16.824 -15.179
  100    HB1  ALA  14           1HB      ALA  14  -4.076  15.960 -12.445
  101    HB2  ALA  14           2HB      ALA  14  -5.381  17.101 -12.769
  102    HB3  ALA  14           3HB      ALA  14  -5.537  15.418 -13.271
  103    H    GLY  15           H        GLY  15  -2.162  17.144 -15.865
  104    HA2  GLY  15           1HA      GLY  15  -1.138  19.289 -16.162
  105    HA3  GLY  15           2HA      GLY  15  -1.791  19.776 -14.605
  106    H    TYR  16           H        TYR  16  -0.885  16.996 -13.627
  107    HA   TYR  16           HA       TYR  16   1.481  17.835 -12.381
  108    HB2  TYR  16           1HB      TYR  16  -0.055  15.320 -12.574
  109    HB3  TYR  16           2HB      TYR  16   1.653  15.130 -12.194
  110    HD1  TYR  16           HD2      TYR  16  -1.531  16.593 -11.051
  111    HD2  TYR  16           HD1      TYR  16   2.524  15.771 -10.060
  112    HE1  TYR  16           HE2      TYR  16  -2.002  17.136  -8.699
  113    HE2  TYR  16           HE1      TYR  16   2.064  16.310  -7.705
  114    HH   TYR  16           HH       TYR  16  -0.093  17.991  -6.590
  115    H    ASP  17           H        ASP  17   0.908  16.280 -15.429
  116    HA   ASP  17           HA       ASP  17   3.810  16.258 -15.917
  117    HB2  ASP  17           1HB      ASP  17   1.801  14.099 -16.407
  118    HB3  ASP  17           2HB      ASP  17   3.148  14.272 -17.528
  119    H    SER  18           H        SER  18   4.025  15.776 -18.489
  120    HA   SER  18           HA       SER  18   2.837  18.113 -19.706
  121    HB2  SER  18           1HB      SER  18   4.901  16.108 -20.599
  122    HB3  SER  18           2HB      SER  18   4.245  17.312 -21.709
  123    H    GLY  19           H        GLY  19   0.652  17.167 -19.465
  124    HA2  GLY  19           1HA      GLY  19  -0.311  15.033 -18.985
  125    HA3  GLY  19           2HA      GLY  19  -0.804  15.401 -20.631
  126    H    THR  20           H        THR  20   1.697  13.766 -18.731
  127    HA   THR  20           HA       THR  20   1.738  11.614 -20.684
  128    HB   THR  20           HB       THR  20   3.494  13.266 -21.417
  129    HG1  THR  20           HG1      THR  20   5.021  11.605 -21.752
  130   HG21  THR  20          3HG2      THR  20   5.568  13.378 -20.132
  131   HG22  THR  20          1HG2      THR  20   4.852  12.378 -18.869
  132   HG23  THR  20          2HG2      THR  20   4.214  13.992 -19.183
  133    H    CYS  21           H        CYS  21   2.165   9.658 -19.788
  134    HA   CYS  21           HA       CYS  21   3.173   9.597 -17.027
  135    HB2  CYS  21           1HB      CYS  21   0.921   7.834 -17.991
  136    HB3  CYS  21           2HB      CYS  21   1.494   8.049 -16.340
  137    H    ASP  22           H        ASP  22   3.273   6.985 -16.512
  138    HA   ASP  22           HA       ASP  22   4.389   5.524 -18.748
  139    HB2  ASP  22           1HB      ASP  22   6.073   6.944 -16.848
  140    HB3  ASP  22           2HB      ASP  22   6.411   5.215 -16.858
  141    H    TYR  23           H        TYR  23   4.959   5.263 -15.253
  142    HA   TYR  23           HA       TYR  23   4.386   2.504 -15.179
  143    HB2  TYR  23           1HB      TYR  23   4.257   4.360 -12.806
  144    HB3  TYR  23           2HB      TYR  23   4.674   2.650 -12.822
  145    HD1  TYR  23           HD2      TYR  23   6.639   2.488 -14.980
  146    HD2  TYR  23           HD1      TYR  23   6.126   5.472 -11.991
  147    HE1  TYR  23           HE2      TYR  23   9.023   3.067 -15.157
  148    HE2  TYR  23           HE1      TYR  23   8.508   6.060 -12.161
  149    HH   TYR  23           HH       TYR  23  10.527   4.843 -14.680
  150    H    MET  24           H        MET  24   2.386   5.316 -14.942
  151    HA   MET  24           HA       MET  24   0.190   4.224 -13.564
  152    HB2  MET  24           1HB      MET  24   0.427   6.473 -15.556
  153    HB3  MET  24           2HB      MET  24  -1.105   6.045 -14.805
  154    HG2  MET  24           1HG      MET  24  -0.424   7.679 -13.386
  155    HG3  MET  24           2HG      MET  24   0.298   6.281 -12.593
  156    HE1  MET  24           3HE      MET  24   2.606   5.616 -12.599
  157    HE2  MET  24           1HE      MET  24   3.943   6.763 -12.691
  158    HE3  MET  24           2HE      MET  24   2.689   6.967 -11.468
  159    H    TYR  25           H        TYR  25   0.965   4.369 -17.019
  160    HA   TYR  25           HA       TYR  25  -1.446   3.185 -17.912
  161    HB2  TYR  25           1HB      TYR  25   1.261   3.606 -19.141
  162    HB3  TYR  25           2HB      TYR  25   0.043   2.651 -19.979
  163    HD1  TYR  25           HD1      TYR  25   0.007   5.865 -18.058
  164    HD2  TYR  25           HD2      TYR  25  -0.981   3.835 -21.664
  165    HE1  TYR  25           HE1      TYR  25  -0.995   7.931 -18.939
  166    HE2  TYR  25           HE2      TYR  25  -1.986   5.895 -22.556
  167    HH   TYR  25           HH       TYR  25  -1.806   8.337 -22.195
  168    H    SER  26           H        SER  26   1.136   1.898 -16.209
  169    HA   SER  26           HA       SER  26   0.995  -0.763 -17.351
  170    HB2  SER  26           1HB      SER  26   3.120   0.274 -16.433
  171    HB3  SER  26           2HB      SER  26   2.429   0.068 -14.824
  172    HG   SER  26           HG       SER  26   3.223  -1.892 -16.682
  173    H    HIS  27           H        HIS  27  -1.435   0.338 -16.236
  174    HA   HIS  27           HA       HIS  27  -3.181  -0.237 -14.892
  175    HB2  HIS  27           1HB      HIS  27  -2.426  -2.484 -16.039
  176    HB3  HIS  27           2HB      HIS  27  -1.942  -2.917 -14.401
  177    HD1  HIS  27           HD1      HIS  27  -3.720  -4.635 -13.922
  178    HD2  HIS  27           HD2      HIS  27  -5.289  -1.013 -15.221
  179    HE1  HIS  27           HE1      HIS  27  -6.205  -4.818 -13.582
  180    H    CYS  28           H        CYS  28  -1.489   1.271 -13.520
  181    HA   CYS  28           HA       CYS  28  -1.198  -0.073 -10.913
  182    HB2  CYS  28           1HB      CYS  28   0.834   1.008 -12.308
  183    HB3  CYS  28           2HB      CYS  28   0.297   2.437 -11.430
  184    H    PHE  29           H        PHE  29  -2.666   2.474 -12.665
  185    HA   PHE  29           HA       PHE  29  -3.673   3.644 -10.154
  186    HB2  PHE  29           1HB      PHE  29  -2.970   4.916 -12.782
  187    HB3  PHE  29           2HB      PHE  29  -4.147   5.674 -11.715
  188    HD1  PHE  29           HD2      PHE  29  -0.847   3.993 -11.231
  189    HD2  PHE  29           HD1      PHE  29  -3.264   7.429 -10.546
  190    HE1  PHE  29           HE2      PHE  29   0.985   5.021  -9.950
  191    HE2  PHE  29           HE1      PHE  29  -1.436   8.464  -9.265
  192    HZ   PHE  29           HZ       PHE  29   0.692   7.259  -8.965
  193    H    GLY  30           H        GLY  30  -4.445   2.312 -13.267
  194    HA2  GLY  30           1HA      GLY  30  -6.518   1.231 -13.692
  195    HA3  GLY  30           2HA      GLY  30  -7.274   2.268 -12.492
  196    H    VAL  31           H        VAL  31  -5.140   3.612 -14.883
  197    HA   VAL  31           HA       VAL  31  -7.422   5.037 -16.048
  198    HB   VAL  31           HB       VAL  31  -5.759   6.584 -16.984
  199   HG11  VAL  31          1HG1      VAL  31  -5.884   7.754 -15.097
  200   HG12  VAL  31          2HG1      VAL  31  -6.493   6.299 -14.307
  201   HG13  VAL  31          3HG1      VAL  31  -4.767   6.663 -14.278
  202   HG21  VAL  31          3HG2      VAL  31  -3.720   5.735 -17.352
  203   HG22  VAL  31          1HG2      VAL  31  -3.413   6.087 -15.651
  204   HG23  VAL  31          2HG2      VAL  31  -3.929   4.472 -16.139
  205    H    LYS  32           H        LYS  32  -4.784   2.883 -16.866
  206    HA   LYS  32           HA       LYS  32  -4.817   3.067 -19.640
  207    HB2  LYS  32           1HB      LYS  32  -3.072   1.825 -18.607
  208    HB3  LYS  32           2HB      LYS  32  -4.213   0.758 -17.798
  209    HG2  LYS  32           1HG      LYS  32  -3.148  -0.397 -19.627
  210    HG3  LYS  32           2HG      LYS  32  -4.864  -0.173 -19.974
  211    HD2  LYS  32           1HD      LYS  32  -3.754   0.357 -21.980
  212    HD3  LYS  32           2HD      LYS  32  -4.169   1.913 -21.258
  213    HE2  LYS  32           1HE      LYS  32  -1.977   2.366 -20.662
  214    HE3  LYS  32           2HE      LYS  32  -1.511   0.666 -20.695
  215    HZ1  LYS  32           3HZ      LYS  32  -1.888   2.517 -22.962
  216    HZ2  LYS  32           1HZ      LYS  32  -1.977   0.843 -23.190
  217    HZ3  LYS  32           2HZ      LYS  32  -0.555   1.541 -22.599
  218    H    HIS  33           H        HIS  33  -6.355   2.679 -21.079
  219    HA   HIS  33           HA       HIS  33  -8.819   1.425 -20.338
  220    HB2  HIS  33           1HB      HIS  33  -7.759   2.484 -22.958
  221    HB3  HIS  33           2HB      HIS  33  -9.351   1.746 -22.804
  222    HD1  HIS  33           HD1      HIS  33  -8.155   4.914 -23.179
  223    HD2  HIS  33           HD2      HIS  33 -10.540   3.218 -20.230
  224    HE1  HIS  33           HE1      HIS  33  -9.380   6.836 -22.118
  225    H    SER  34           H        SER  34  -9.375  -0.645 -20.507
  226    HA   SER  34           HA       SER  34  -7.476  -2.525 -21.640
  227    HB2  SER  34           1HB      SER  34  -8.860  -4.249 -20.607
  228    HB3  SER  34           2HB      SER  34  -8.529  -2.970 -19.440
  229    HG   SER  34           HG       SER  34 -10.787  -3.769 -19.655
  230    H    SER  35           H        SER  35  -7.562  -2.746 -23.786
  231    HA   SER  35           HA       SER  35  -9.758  -2.251 -25.430
  232    HB2  SER  35           1HB      SER  35  -7.707  -2.303 -26.546
  233    HB3  SER  35           2HB      SER  35  -7.223  -3.821 -25.791
  234    HG   SER  35           HG       SER  35  -7.814  -4.212 -27.920
  235    H    GLY  36           H        GLY  36  -8.618  -5.289 -24.002
  236    HA2  GLY  36           1HA      GLY  36 -10.988  -6.496 -23.510
  237    HA3  GLY  36           2HA      GLY  36 -10.748  -6.816 -25.222
  238    H    GLY  37           H        GLY  37 -10.874  -8.721 -23.029
  239    HA2  GLY  37           1HA      GLY  37  -9.817 -10.659 -22.400
  240    HA3  GLY  37           2HA      GLY  37  -8.761 -10.416 -23.783
  241    H    GLY  38           H        GLY  38  -6.675 -10.126 -23.360
  242    HA2  GLY  38           1HA      GLY  38  -5.825  -8.644 -21.019
  243    HA3  GLY  38           2HA      GLY  38  -5.427 -10.355 -20.986
  244    H    GLY  39           H        GLY  39  -4.208  -7.406 -21.683
  245    HA2  GLY  39           1HA      GLY  39  -2.533  -8.362 -23.905
  246    HA3  GLY  39           2HA      GLY  39  -2.748  -6.680 -23.440
  247    H    SER  40           H        SER  40  -0.401  -8.699 -23.704
  248    HA   SER  40           HA       SER  40   1.023  -7.667 -21.379
  249    HB2  SER  40           1HB      SER  40   0.202  -9.840 -20.613
  250    HB3  SER  40           2HB      SER  40   0.889 -10.620 -22.037
  251    HG   SER  40           HG       SER  40   2.652 -10.783 -20.925
  252    H    TYR  41           H        TYR  41   3.286  -7.612 -21.630
  253    HA   TYR  41           HA       TYR  41   4.174  -7.191 -24.280
  254    HB2  TYR  41           1HB      TYR  41   5.050  -6.277 -21.956
  255    HB3  TYR  41           2HB      TYR  41   6.131  -7.660 -22.073
  256    HD1  TYR  41           HD1      TYR  41   5.235  -4.412 -23.507
  257    HD2  TYR  41           HD2      TYR  41   7.863  -7.747 -23.773
  258    HE1  TYR  41           HE1      TYR  41   6.724  -3.114 -24.972
  259    HE2  TYR  41           HE2      TYR  41   9.360  -6.458 -25.238
  260    HH   TYR  41           HH       TYR  41   8.737  -3.053 -25.963
  261    H    HIS  42           H        HIS  42   6.003  -8.274 -25.320
  262    HA   HIS  42           HA       HIS  42   5.746 -11.173 -25.064
  263    HB2  HIS  42           1HB      HIS  42   6.816  -9.361 -27.215
  264    HB3  HIS  42           2HB      HIS  42   7.145 -11.091 -27.232
  265    HD1  HIS  42           HD1      HIS  42   5.401  -9.506 -29.364
  266    HD2  HIS  42           HD2      HIS  42   3.953 -11.811 -26.225
  267    HE1  HIS  42           HE1      HIS  42   3.081 -10.192 -30.049
  268    H    CYS  43           H        CYS  43   7.170  -9.883 -23.009
  269    HA   CYS  43           HA       CYS  43   9.982  -9.998 -23.473
  270    HB2  CYS  43           1HB      CYS  43   8.818  -8.637 -21.681
  271    HB3  CYS  43           2HB      CYS  43   8.587 -10.143 -20.799
  272    H1   NAG 101           H1       NAG 100   4.991  19.565 -21.378
  273    H2   NAG 101           HC2      NAG 100   6.906  20.074 -19.034
  274    H3   NAG 101           HC3      NAG 100   5.580  22.016 -21.015
  275    H4   NAG 101           HC4      NAG 100   8.509  21.092 -20.828
  276    H5   NAG 101           H5       NAG 100   6.302  20.394 -22.847
  277    H61  NAG 101           1H6      NAG 100   8.560  20.736 -23.889
  278    H62  NAG 101           2H6      NAG 100   9.279  19.623 -22.717
  279    H81  NAG 101           3H8      NAG 100   3.558  21.126 -16.377
  280    H82  NAG 101           1H8      NAG 100   2.576  20.213 -17.572
  281    H83  NAG 101           2H8      NAG 100   3.333  19.354 -16.189
  282    HN2  NAG 101           H2       NAG 100   4.198  21.274 -19.193
  283    HO3  NAG 101           H3       NAG 100   7.099  23.493 -20.023
  284    HO4  NAG 101           H4       NAG 100   8.842  22.491 -22.474
  285    HO6  NAG 101           HO6      NAG 100   7.460  18.087 -23.562
  286    H1   NAG 102           H1       NAG 200  12.833  -9.130 -20.490
  287    H2   NAG 102           HC2      NAG 200  13.953 -11.673 -21.794
  288    H3   NAG 102           HC3      NAG 200  15.348  -9.087 -20.887
  289    H4   NAG 102           HC4      NAG 200  14.729 -10.096 -23.727
  290    H5   NAG 102           H5       NAG 200  13.464  -7.840 -22.071
  291    H61  NAG 102           1H6      NAG 200  13.783  -7.264 -24.493
  292    H62  NAG 102           2H6      NAG 200  12.986  -8.773 -24.964
  293    H81  NAG 102           3H8      NAG 200  13.463 -12.463 -17.248
  294    H82  NAG 102           1H8      NAG 200  14.080 -14.018 -17.901
  295    H83  NAG 102           2H8      NAG 200  15.200 -12.632 -17.673
  296    HN2  NAG 102           H2       NAG 200  14.866 -10.679 -19.152
  297    HO3  NAG 102           H3       NAG 200  17.114 -10.051 -22.081
  298    HO4  NAG 102           H4       NAG 200  15.799  -8.305 -24.376
  299    HO6  NAG 102           HO6      NAG 200  11.167  -7.896 -23.448
  Start of MODEL   19
    1    H1   LYS   1           H        LYS   1   2.105  -1.253  -2.958
    2    HA   LYS   1           HA       LYS   1   2.470  -2.077  -5.700
    3    HB2  LYS   1           1HB      LYS   1   2.109   0.524  -4.278
    4    HB3  LYS   1           2HB      LYS   1   2.813   0.540  -5.890
    5    HG2  LYS   1           1HG      LYS   1   0.878  -0.154  -6.895
    6    HG3  LYS   1           2HG      LYS   1   0.293  -0.979  -5.448
    7    HD2  LYS   1           1HD      LYS   1   0.214   1.452  -4.469
    8    HD3  LYS   1           2HD      LYS   1   0.165   1.915  -6.172
    9    HE2  LYS   1           1HE      LYS   1  -1.679  -0.223  -5.233
   10    HE3  LYS   1           2HE      LYS   1  -2.042   1.445  -4.791
   11    HZ1  LYS   1           3HZ      LYS   1  -1.992   2.038  -7.132
   12    HZ2  LYS   1           1HZ      LYS   1  -3.130   0.818  -6.852
   13    HZ3  LYS   1           2HZ      LYS   1  -1.640   0.439  -7.557
   14    HA   PRO   2           HA       PRO   2   6.843  -1.892  -5.999
   15    HB2  PRO   2           1HB      PRO   2   7.215  -0.703  -8.410
   16    HB3  PRO   2           2HB      PRO   2   6.616  -2.356  -8.237
   17    HG2  PRO   2           1HG      PRO   2   5.088   0.169  -8.740
   18    HG3  PRO   2           2HG      PRO   2   4.888  -1.428  -9.485
   19    HD2  PRO   2           1HD      PRO   2   3.279  -0.535  -7.499
   20    HD3  PRO   2           2HD      PRO   2   3.688  -2.251  -7.698
   21    H    ALA   3           H        ALA   3   8.582  -0.156  -7.031
   22    HA   ALA   3           HA       ALA   3   8.337   2.137  -5.257
   23    HB1  ALA   3           1HB      ALA   3  10.697   2.519  -5.748
   24    HB2  ALA   3           2HB      ALA   3  10.414   0.854  -5.239
   25    HB3  ALA   3           3HB      ALA   3  10.663   1.224  -6.945
   26    H    TRP   4           H        TRP   4   7.057   1.657  -8.083
   27    HA   TRP   4           HA       TRP   4   7.936   4.183  -9.303
   28    HB2  TRP   4           1HB      TRP   4   6.087   2.453 -10.817
   29    HB3  TRP   4           2HB      TRP   4   7.543   3.289 -11.349
   30    HD1  TRP   4           HD1      TRP   4   9.793   1.957  -9.750
   31    HE1  TRP   4           HE1      TRP   4  10.360  -0.539 -10.022
   32    HE3  TRP   4           HE3      TRP   4   5.343   0.317 -11.659
   33    HZ2  TRP   4           HZ2      TRP   4   9.090  -2.891 -10.927
   34    HZ3  TRP   4           HZ3      TRP   4   5.101  -2.070 -12.202
   35    HH2  TRP   4           HH2      TRP   4   6.937  -3.640 -11.844
   36    H    CYS   5           H        CYS   5   4.986   2.327  -8.576
   37    HA   CYS   5           HA       CYS   5   3.321   4.658  -8.997
   38    HB2  CYS   5           1HB      CYS   5   2.438   2.021  -7.833
   39    HB3  CYS   5           2HB      CYS   5   1.466   3.213  -8.691
   40    H    TRP   6           H        TRP   6   1.404   4.451  -7.071
   41    HA   TRP   6           HA       TRP   6   2.565   4.421  -4.441
   42    HB2  TRP   6           1HB      TRP   6   2.894   6.778  -5.789
   43    HB3  TRP   6           2HB      TRP   6   1.370   7.060  -4.953
   44    HD1  TRP   6           HD1      TRP   6   5.065   7.019  -4.400
   45    HE1  TRP   6           HE1      TRP   6   5.586   7.480  -1.922
   46    HE3  TRP   6           HE3      TRP   6   0.353   6.539  -2.476
   47    HZ2  TRP   6           HZ2      TRP   6   4.186   7.622   0.524
   48    HZ3  TRP   6           HZ3      TRP   6   0.029   6.852  -0.057
   49    HH2  TRP   6           HH2      TRP   6   1.907   7.382   1.410
   50    H    TYR   7           H        TYR   7  -0.156   5.417  -6.473
   51    HA   TYR   7           HA       TYR   7  -2.032   3.865  -5.072
   52    HB2  TYR   7           1HB      TYR   7  -1.430   6.112  -3.631
   53    HB3  TYR   7           2HB      TYR   7  -2.818   6.654  -4.567
   54    HD1  TYR   7           HD2      TYR   7  -1.900   3.473  -2.818
   55    HD2  TYR   7           HD1      TYR   7  -4.772   6.566  -3.359
   56    HE1  TYR   7           HE2      TYR   7  -3.403   2.347  -1.230
   57    HE2  TYR   7           HE1      TYR   7  -6.283   5.449  -1.771
   58    HH   TYR   7           HH       TYR   7  -6.013   2.336  -0.858
   59    H    THR   8           H        THR   8  -4.373   5.212  -5.499
   60    HA   THR   8           HA       THR   8  -4.413   5.369  -8.422
   61    HB   THR   8           HB       THR   8  -6.861   5.329  -6.676
   62    HG1  THR   8           HG1      THR   8  -6.180   3.427  -6.023
   63   HG21  THR   8          3HG2      THR   8  -7.861   5.344  -8.667
   64   HG22  THR   8          1HG2      THR   8  -7.140   3.770  -8.999
   65   HG23  THR   8          2HG2      THR   8  -6.307   5.245  -9.494
   66    H    LEU   9           H        LEU   9  -3.542   7.568  -6.575
   67    HA   LEU   9           HA       LEU   9  -5.477   9.591  -6.450
   68    HB2  LEU   9           1HB      LEU   9  -2.542   9.424  -6.247
   69    HB3  LEU   9           2HB      LEU   9  -3.187  11.005  -6.684
   70    HG   LEU   9           HG       LEU   9  -4.678  10.750  -4.608
   71   HD11  LEU   9          1HD1      LEU   9  -4.058   9.241  -2.937
   72   HD12  LEU   9          2HD1      LEU   9  -2.528   8.856  -3.723
   73   HD13  LEU   9          3HD1      LEU   9  -4.044   8.280  -4.416
   74   HD21  LEU   9          3HD2      LEU   9  -3.091  11.845  -3.284
   75   HD22  LEU   9          1HD2      LEU   9  -2.597  12.199  -4.940
   76   HD23  LEU   9          2HD2      LEU   9  -1.745  10.966  -4.011
   77    H    ALA  10           H        ALA  10  -3.332   8.578  -9.027
   78    HA   ALA  10           HA       ALA  10  -3.256   9.096 -11.242
   79    HB1  ALA  10           1HB      ALA  10  -5.226   9.553 -12.324
   80    HB2  ALA  10           2HB      ALA  10  -5.835   8.931 -10.789
   81    HB3  ALA  10           3HB      ALA  10  -5.780  10.670 -11.077
   82    H    MET  11           H        MET  11  -1.524  10.555 -10.136
   83    HA   MET  11           HA       MET  11  -1.932  13.333  -9.954
   84    HB2  MET  11           1HB      MET  11   0.684  11.998 -10.638
   85    HB3  MET  11           2HB      MET  11   0.442  13.531  -9.811
   86    HG2  MET  11           1HG      MET  11   0.603  12.455  -7.890
   87    HG3  MET  11           2HG      MET  11  -0.907  11.633  -8.272
   88    HE1  MET  11           3HE      MET  11  -0.025   8.389  -7.594
   89    HE2  MET  11           1HE      MET  11   0.997   9.317  -6.497
   90    HE3  MET  11           2HE      MET  11  -0.599   9.923  -6.939
   91    H    CYS  12           H        CYS  12  -0.061  11.611 -12.459
   92    HA   CYS  12           HA       CYS  12   0.169  13.694 -14.252
   93    HB2  CYS  12           1HB      CYS  12   0.718  12.071 -15.913
   94    HB3  CYS  12           2HB      CYS  12   1.298  11.439 -14.375
   95    H    GLY  13           H        GLY  13  -0.930  14.170 -16.244
   96    HA2  GLY  13           1HA      GLY  13  -2.792  14.091 -17.699
   97    HA3  GLY  13           2HA      GLY  13  -3.670  13.170 -16.486
   98    H    ALA  14           H        ALA  14  -2.845  15.106 -14.370
   99    HA   ALA  14           HA       ALA  14  -4.854  17.156 -15.002
  100    HB1  ALA  14           1HB      ALA  14  -3.864  16.094 -12.363
  101    HB2  ALA  14           2HB      ALA  14  -4.955  17.470 -12.523
  102    HB3  ALA  14           3HB      ALA  14  -5.460  15.876 -13.082
  103    H    GLY  15           H        GLY  15  -1.938  17.164 -15.736
  104    HA2  GLY  15           1HA      GLY  15  -0.757  19.219 -16.131
  105    HA3  GLY  15           2HA      GLY  15  -1.346  19.808 -14.584
  106    H    TYR  16           H        TYR  16  -0.682  17.067 -13.436
  107    HA   TYR  16           HA       TYR  16   1.717  17.697 -12.215
  108    HB2  TYR  16           1HB      TYR  16   0.096  15.242 -12.525
  109    HB3  TYR  16           2HB      TYR  16   1.781  14.994 -12.081
  110    HD1  TYR  16           HD2      TYR  16  -1.402  16.533 -11.035
  111    HD2  TYR  16           HD1      TYR  16   2.579  15.553  -9.898
  112    HE1  TYR  16           HE2      TYR  16  -1.953  17.038  -8.692
  113    HE2  TYR  16           HE1      TYR  16   2.039  16.053  -7.552
  114    HH   TYR  16           HH       TYR  16  -1.245  16.966  -6.577
  115    H    ASP  17           H        ASP  17   1.133  16.182 -15.295
  116    HA   ASP  17           HA       ASP  17   4.043  16.057 -15.731
  117    HB2  ASP  17           1HB      ASP  17   1.952  14.112 -16.729
  118    HB3  ASP  17           2HB      ASP  17   3.642  14.107 -17.226
  119    H    SER  18           H        SER  18   4.229  15.593 -18.343
  120    HA   SER  18           HA       SER  18   3.254  18.063 -19.491
  121    HB2  SER  18           1HB      SER  18   5.237  15.973 -20.299
  122    HB3  SER  18           2HB      SER  18   4.580  17.045 -21.536
  123    H    GLY  19           H        GLY  19   0.998  17.286 -19.285
  124    HA2  GLY  19           1HA      GLY  19  -0.138  15.224 -18.874
  125    HA3  GLY  19           2HA      GLY  19  -0.587  15.678 -20.511
  126    H    THR  20           H        THR  20   1.745  13.784 -18.639
  127    HA   THR  20           HA       THR  20   1.627  11.688 -20.644
  128    HB   THR  20           HB       THR  20   3.502  13.217 -21.352
  129    HG1  THR  20           HG1      THR  20   3.363  10.789 -21.629
  130   HG21  THR  20          3HG2      THR  20   4.276  13.818 -19.089
  131   HG22  THR  20          1HG2      THR  20   5.577  13.162 -20.081
  132   HG23  THR  20          2HG2      THR  20   4.818  12.157 -18.847
  133    H    CYS  21           H        CYS  21   1.910   9.686 -19.793
  134    HA   CYS  21           HA       CYS  21   2.825   9.518 -16.999
  135    HB2  CYS  21           1HB      CYS  21   0.640   7.797 -18.173
  136    HB3  CYS  21           2HB      CYS  21   1.113   7.935 -16.482
  137    H    ASP  22           H        ASP  22   2.960   6.925 -16.540
  138    HA   ASP  22           HA       ASP  22   4.153   5.492 -18.748
  139    HB2  ASP  22           1HB      ASP  22   5.783   6.950 -16.834
  140    HB3  ASP  22           2HB      ASP  22   6.150   5.227 -16.821
  141    H    TYR  23           H        TYR  23   4.681   5.244 -15.246
  142    HA   TYR  23           HA       TYR  23   4.151   2.474 -15.180
  143    HB2  TYR  23           1HB      TYR  23   3.960   4.316 -12.801
  144    HB3  TYR  23           2HB      TYR  23   4.428   2.619 -12.827
  145    HD1  TYR  23           HD2      TYR  23   6.496   2.306 -14.683
  146    HD2  TYR  23           HD1      TYR  23   5.707   5.704 -12.247
  147    HE1  TYR  23           HE2      TYR  23   8.863   2.956 -14.835
  148    HE2  TYR  23           HE1      TYR  23   8.072   6.365 -12.393
  149    HH   TYR  23           HH       TYR  23  10.201   5.488 -12.885
  150    H    MET  24           H        MET  24   2.108   5.259 -14.948
  151    HA   MET  24           HA       MET  24  -0.086   4.121 -13.602
  152    HB2  MET  24           1HB      MET  24   0.099   6.382 -15.591
  153    HB3  MET  24           2HB      MET  24  -1.398   5.942 -14.780
  154    HG2  MET  24           1HG      MET  24  -0.708   7.552 -13.358
  155    HG3  MET  24           2HG      MET  24   0.143   6.189 -12.636
  156    HE1  MET  24           3HE      MET  24   3.200   7.211 -12.024
  157    HE2  MET  24           1HE      MET  24   2.176   5.815 -12.364
  158    HE3  MET  24           2HE      MET  24   3.502   6.222 -13.454
  159    H    TYR  25           H        TYR  25   0.712   4.332 -17.049
  160    HA   TYR  25           HA       TYR  25  -1.672   3.109 -17.969
  161    HB2  TYR  25           1HB      TYR  25   1.019   3.641 -19.186
  162    HB3  TYR  25           2HB      TYR  25  -0.159   2.653 -20.043
  163    HD1  TYR  25           HD1      TYR  25  -0.409   5.803 -18.038
  164    HD2  TYR  25           HD2      TYR  25  -1.140   3.853 -21.748
  165    HE1  TYR  25           HE1      TYR  25  -1.489   7.842 -18.890
  166    HE2  TYR  25           HE2      TYR  25  -2.220   5.887 -22.611
  167    HH   TYR  25           HH       TYR  25  -3.457   7.954 -21.434
  168    H    SER  26           H        SER  26   0.926   1.856 -16.277
  169    HA   SER  26           HA       SER  26   0.876  -0.781 -17.481
  170    HB2  SER  26           1HB      SER  26   2.898   0.467 -16.349
  171    HB3  SER  26           2HB      SER  26   2.219  -0.204 -14.865
  172    HG   SER  26           HG       SER  26   3.659  -1.690 -15.651
  173    H    HIS  27           H        HIS  27  -1.601   0.211 -16.384
  174    HA   HIS  27           HA       HIS  27  -3.345  -0.443 -15.074
  175    HB2  HIS  27           1HB      HIS  27  -2.535  -2.634 -16.263
  176    HB3  HIS  27           2HB      HIS  27  -2.009  -3.092 -14.645
  177    HD1  HIS  27           HD1      HIS  27  -3.789  -3.831 -13.002
  178    HD2  HIS  27           HD2      HIS  27  -5.363  -2.356 -16.553
  179    HE1  HIS  27           HE1      HIS  27  -6.241  -4.385 -12.932
  180    H    CYS  28           H        CYS  28  -1.578   1.049 -13.676
  181    HA   CYS  28           HA       CYS  28  -1.385  -0.317 -11.072
  182    HB2  CYS  28           1HB      CYS  28   0.704   0.711 -12.416
  183    HB3  CYS  28           2HB      CYS  28   0.188   2.154 -11.550
  184    H    PHE  29           H        PHE  29  -2.759   2.274 -12.831
  185    HA   PHE  29           HA       PHE  29  -3.786   3.448 -10.331
  186    HB2  PHE  29           1HB      PHE  29  -2.976   4.735 -12.920
  187    HB3  PHE  29           2HB      PHE  29  -4.156   5.514 -11.871
  188    HD1  PHE  29           HD2      PHE  29  -0.911   3.737 -11.357
  189    HD2  PHE  29           HD1      PHE  29  -3.261   7.209 -10.627
  190    HE1  PHE  29           HE2      PHE  29   0.919   4.688 -10.016
  191    HE2  PHE  29           HE1      PHE  29  -1.435   8.167  -9.285
  192    HZ   PHE  29           HZ       PHE  29   0.659   6.907  -8.978
  193    H    GLY  30           H        GLY  30  -4.514   2.204 -13.495
  194    HA2  GLY  30           1HA      GLY  30  -6.530   1.353 -14.261
  195    HA3  GLY  30           2HA      GLY  30  -7.291   1.907 -12.777
  196    H    VAL  31           H        VAL  31  -5.421   4.039 -14.814
  197    HA   VAL  31           HA       VAL  31  -7.809   5.655 -15.254
  198    HB   VAL  31           HB       VAL  31  -6.207   7.355 -16.129
  199   HG11  VAL  31          1HG1      VAL  31  -6.152   6.261 -13.375
  200   HG12  VAL  31          2HG1      VAL  31  -4.950   7.486 -13.786
  201   HG13  VAL  31          3HG1      VAL  31  -6.669   7.843 -13.957
  202   HG21  VAL  31          3HG2      VAL  31  -3.827   7.031 -15.846
  203   HG22  VAL  31          1HG2      VAL  31  -4.096   5.418 -15.185
  204   HG23  VAL  31          2HG2      VAL  31  -4.477   5.754 -16.874
  205    H    LYS  32           H        LYS  32  -5.508   3.708 -17.010
  206    HA   LYS  32           HA       LYS  32  -5.947   4.599 -19.610
  207    HB2  LYS  32           1HB      LYS  32  -4.351   2.737 -18.560
  208    HB3  LYS  32           2HB      LYS  32  -5.622   1.675 -19.153
  209    HG2  LYS  32           1HG      LYS  32  -5.264   3.149 -21.345
  210    HG3  LYS  32           2HG      LYS  32  -3.651   3.297 -20.643
  211    HD2  LYS  32           1HD      LYS  32  -5.038   0.650 -21.015
  212    HD3  LYS  32           2HD      LYS  32  -3.999   1.370 -22.248
  213    HE2  LYS  32           1HE      LYS  32  -2.183   1.474 -20.529
  214    HE3  LYS  32           2HE      LYS  32  -3.230   0.555 -19.449
  215    HZ1  LYS  32           3HZ      LYS  32  -3.243  -0.896 -21.745
  216    HZ2  LYS  32           1HZ      LYS  32  -2.309  -1.230 -20.375
  217    HZ3  LYS  32           2HZ      LYS  32  -1.644  -0.351 -21.657
  218    H    HIS  33           H        HIS  33  -7.456   4.191 -21.160
  219    HA   HIS  33           HA       HIS  33  -9.979   3.072 -20.242
  220    HB2  HIS  33           1HB      HIS  33  -9.187   4.585 -22.731
  221    HB3  HIS  33           2HB      HIS  33 -10.795   3.908 -22.495
  222    HD1  HIS  33           HD1      HIS  33  -9.542   7.033 -22.503
  223    HD2  HIS  33           HD2      HIS  33 -11.412   4.892 -19.473
  224    HE1  HIS  33           HE1      HIS  33 -10.443   8.762 -20.915
  225    H    SER  34           H        SER  34 -11.177   2.002 -22.339
  226    HA   SER  34           HA       SER  34 -10.043  -0.567 -22.549
  227    HB2  SER  34           1HB      SER  34 -12.244   0.745 -24.159
  228    HB3  SER  34           2HB      SER  34 -11.846  -0.971 -24.235
  229    HG   SER  34           HG       SER  34 -12.798  -1.276 -22.376
  230    H    SER  35           H        SER  35  -8.846  -1.553 -24.097
  231    HA   SER  35           HA       SER  35  -7.433   0.153 -25.949
  232    HB2  SER  35           1HB      SER  35  -6.237  -2.021 -26.518
  233    HB3  SER  35           2HB      SER  35  -6.092  -1.478 -24.846
  234    HG   SER  35           HG       SER  35  -6.723  -3.475 -24.498
  235    H    GLY  36           H        GLY  36  -9.024   0.770 -27.441
  236    HA2  GLY  36           1HA      GLY  36 -10.101  -1.407 -29.116
  237    HA3  GLY  36           2HA      GLY  36 -10.839   0.178 -28.941
  238    H    GLY  37           H        GLY  37  -8.425  -1.703 -30.564
  239    HA2  GLY  37           1HA      GLY  37  -7.926  -1.107 -32.867
  240    HA3  GLY  37           2HA      GLY  37  -7.967   0.580 -32.378
  241    H    GLY  38           H        GLY  38  -5.843  -0.680 -33.797
  242    HA2  GLY  38           1HA      GLY  38  -3.578   0.340 -33.009
  243    HA3  GLY  38           2HA      GLY  38  -3.715  -0.916 -31.788
  244    H    GLY  39           H        GLY  39  -1.540  -1.327 -32.950
  245    HA2  GLY  39           1HA      GLY  39  -1.752  -3.744 -34.357
  246    HA3  GLY  39           2HA      GLY  39  -1.487  -2.458 -35.525
  247    H    SER  40           H        SER  40   0.449  -3.993 -35.797
  248    HA   SER  40           HA       SER  40   2.700  -2.738 -34.466
  249    HB2  SER  40           1HB      SER  40   1.947  -5.610 -34.072
  250    HB3  SER  40           2HB      SER  40   3.652  -5.165 -34.112
  251    HG   SER  40           HG       SER  40   2.904  -5.068 -31.995
  252    H    TYR  41           H        TYR  41   4.786  -3.412 -35.444
  253    HA   TYR  41           HA       TYR  41   4.416  -4.204 -38.259
  254    HB2  TYR  41           1HB      TYR  41   5.164  -1.756 -37.562
  255    HB3  TYR  41           2HB      TYR  41   6.743  -2.524 -37.439
  256    HD1  TYR  41           HD1      TYR  41   4.054  -1.521 -39.716
  257    HD2  TYR  41           HD2      TYR  41   7.888  -3.342 -39.415
  258    HE1  TYR  41           HE1      TYR  41   4.345  -1.297 -42.148
  259    HE2  TYR  41           HE2      TYR  41   8.190  -3.123 -41.846
  260    HH   TYR  41           HH       TYR  41   5.604  -1.877 -43.913
  261    H    HIS  42           H        HIS  42   6.315  -5.207 -39.271
  262    HA   HIS  42           HA       HIS  42   7.585  -7.062 -37.405
  263    HB2  HIS  42           1HB      HIS  42   6.351  -7.651 -39.666
  264    HB3  HIS  42           2HB      HIS  42   7.921  -7.268 -40.368
  265    HD1  HIS  42           HD1      HIS  42   7.838  -9.884 -41.030
  266    HD2  HIS  42           HD2      HIS  42   8.295  -9.007 -36.994
  267    HE1  HIS  42           HE1      HIS  42   8.681 -12.004 -39.972
  268    H    CYS  43           H        CYS  43   8.523  -4.381 -37.416
  269    HA   CYS  43           HA       CYS  43  11.314  -4.881 -38.090
  270    HB2  CYS  43           1HB      CYS  43   9.716  -2.547 -39.146
  271    HB3  CYS  43           2HB      CYS  43  11.475  -2.551 -39.082
  272    H1   NAG 101           H1       NAG 100   5.216  19.376 -21.385
  273    H2   NAG 101           HC2      NAG 100   7.255  20.054 -19.192
  274    H3   NAG 101           HC3      NAG 100   5.791  21.850 -21.213
  275    H4   NAG 101           HC4      NAG 100   8.738  20.971 -21.137
  276    H5   NAG 101           H5       NAG 100   6.430  20.122 -22.977
  277    H61  NAG 101           1H6      NAG 100   8.619  20.419 -24.168
  278    H62  NAG 101           2H6      NAG 100   9.419  19.391 -22.970
  279    H81  NAG 101           3H8      NAG 100   4.002  21.276 -16.493
  280    H82  NAG 101           1H8      NAG 100   3.005  20.151 -17.475
  281    H83  NAG 101           2H8      NAG 100   3.913  19.538 -16.052
  282    HN2  NAG 101           H2       NAG 100   4.526  21.214 -19.271
  283    HO3  NAG 101           H3       NAG 100   7.344  23.404 -20.406
  284    HO4  NAG 101           H4       NAG 100   8.957  22.264 -22.885
  285    HO6  NAG 101           HO6      NAG 100   7.577  17.786 -23.609
  286    H1   NAG 102           H1       NAG 200  12.374  -3.194 -41.430
  287    H2   NAG 102           HC2      NAG 200  11.856  -3.216 -44.456
  288    H3   NAG 102           HC3      NAG 200  14.032  -1.821 -42.791
  289    H4   NAG 102           HC4      NAG 200  11.584  -0.629 -44.224
  290    H5   NAG 102           H5       NAG 200  12.149  -1.078 -41.239
  291    H61  NAG 102           1H6      NAG 200  11.012   1.103 -41.739
  292    H62  NAG 102           2H6      NAG 200   9.791   0.255 -42.700
  293    H81  NAG 102           3H8      NAG 200  13.603  -7.518 -44.220
  294    H82  NAG 102           1H8      NAG 200  14.681  -6.518 -45.251
  295    H83  NAG 102           2H8      NAG 200  14.851  -6.470 -43.464
  296    HN2  NAG 102           H2       NAG 200  14.399  -4.152 -43.248
  297    HO3  NAG 102           H3       NAG 200  14.412  -0.764 -44.843
  298    HO4  NAG 102           H4       NAG 200  12.377   1.291 -43.545
  299    HO6  NAG 102           HO6      NAG 200   9.552  -1.104 -40.584
  Start of MODEL   20
    1    H1   LYS   1           H        LYS   1   2.350  -0.932  -2.681
    2    HA   LYS   1           HA       LYS   1   2.260  -1.858  -5.476
    3    HB2  LYS   1           1HB      LYS   1   1.945   0.828  -4.219
    4    HB3  LYS   1           2HB      LYS   1   2.676   0.742  -5.816
    5    HG2  LYS   1           1HG      LYS   1   0.641  -0.628  -6.495
    6    HG3  LYS   1           2HG      LYS   1  -0.082  -0.086  -4.979
    7    HD2  LYS   1           1HD      LYS   1   0.801   2.268  -5.953
    8    HD3  LYS   1           2HD      LYS   1   0.475   1.410  -7.461
    9    HE2  LYS   1           1HE      LYS   1  -1.445   1.945  -5.202
   10    HE3  LYS   1           2HE      LYS   1  -1.502   2.608  -6.834
   11    HZ1  LYS   1           3HZ      LYS   1  -2.797   0.906  -7.362
   12    HZ2  LYS   1           1HZ      LYS   1  -2.555   0.161  -5.862
   13    HZ3  LYS   1           2HZ      LYS   1  -1.480  -0.131  -7.135
   14    HA   PRO   2           HA       PRO   2   6.636  -1.796  -5.796
   15    HB2  PRO   2           1HB      PRO   2   7.028  -0.767  -8.277
   16    HB3  PRO   2           2HB      PRO   2   6.390  -2.392  -8.001
   17    HG2  PRO   2           1HG      PRO   2   4.921   0.133  -8.656
   18    HG3  PRO   2           2HG      PRO   2   4.680  -1.501  -9.301
   19    HD2  PRO   2           1HD      PRO   2   3.100  -0.448  -7.370
   20    HD3  PRO   2           2HD      PRO   2   3.467  -2.183  -7.463
   21    H    ALA   3           H        ALA   3   8.415  -0.173  -6.928
   22    HA   ALA   3           HA       ALA   3   8.228   2.233  -5.303
   23    HB1  ALA   3           1HB      ALA   3  10.557   2.460  -5.582
   24    HB2  ALA   3           2HB      ALA   3  10.269   0.731  -5.383
   25    HB3  ALA   3           3HB      ALA   3  10.572   1.396  -6.988
   26    H    TRP   4           H        TRP   4   6.956   1.593  -8.112
   27    HA   TRP   4           HA       TRP   4   7.893   4.014  -9.488
   28    HB2  TRP   4           1HB      TRP   4   5.976   2.244 -10.869
   29    HB3  TRP   4           2HB      TRP   4   7.448   3.004 -11.470
   30    HD1  TRP   4           HD1      TRP   4   9.676   1.718  -9.798
   31    HE1  TRP   4           HE1      TRP   4  10.176  -0.804  -9.916
   32    HE3  TRP   4           HE3      TRP   4   5.172   0.080 -11.577
   33    HZ2  TRP   4           HZ2      TRP   4   8.838  -3.174 -10.664
   34    HZ3  TRP   4           HZ3      TRP   4   4.864  -2.330 -11.967
   35    HH2  TRP   4           HH2      TRP   4   6.660  -3.921 -11.520
   36    H    CYS   5           H        CYS   5   4.926   2.336  -8.492
   37    HA   CYS   5           HA       CYS   5   3.342   4.713  -9.065
   38    HB2  CYS   5           1HB      CYS   5   2.324   2.153  -7.846
   39    HB3  CYS   5           2HB      CYS   5   1.425   3.360  -8.760
   40    H    TRP   6           H        TRP   6   1.409   4.641  -7.152
   41    HA   TRP   6           HA       TRP   6   2.605   4.657  -4.521
   42    HB2  TRP   6           1HB      TRP   6   2.865   6.976  -5.948
   43    HB3  TRP   6           2HB      TRP   6   1.348   7.255  -5.097
   44    HD1  TRP   6           HD1      TRP   6   5.019   7.453  -4.626
   45    HE1  TRP   6           HE1      TRP   6   5.581   7.946  -2.163
   46    HE3  TRP   6           HE3      TRP   6   0.426   6.587  -2.555
   47    HZ2  TRP   6           HZ2      TRP   6   4.254   7.965   0.328
   48    HZ3  TRP   6           HZ3      TRP   6   0.156   6.864  -0.125
   49    HH2  TRP   6           HH2      TRP   6   2.032   7.539   1.285
   50    H    TYR   7           H        TYR   7  -0.168   5.539  -6.536
   51    HA   TYR   7           HA       TYR   7  -1.991   3.992  -5.060
   52    HB2  TYR   7           1HB      TYR   7  -1.406   6.295  -3.697
   53    HB3  TYR   7           2HB      TYR   7  -2.829   6.774  -4.616
   54    HD1  TYR   7           HD2      TYR   7  -1.729   3.762  -2.682
   55    HD2  TYR   7           HD1      TYR   7  -4.814   6.583  -3.474
   56    HE1  TYR   7           HE2      TYR   7  -3.167   2.646  -1.028
   57    HE2  TYR   7           HE1      TYR   7  -6.259   5.476  -1.821
   58    HH   TYR   7           HH       TYR   7  -5.505   3.801   0.454
   59    H    THR   8           H        THR   8  -4.359   5.323  -5.476
   60    HA   THR   8           HA       THR   8  -4.445   5.409  -8.406
   61    HB   THR   8           HB       THR   8  -6.870   5.306  -6.631
   62    HG1  THR   8           HG1      THR   8  -6.665   3.117  -6.487
   63   HG21  THR   8          3HG2      THR   8  -7.831   5.358  -8.651
   64   HG22  THR   8          1HG2      THR   8  -7.226   3.716  -8.869
   65   HG23  THR   8          2HG2      THR   8  -6.294   5.086  -9.472
   66    H    LEU   9           H        LEU   9  -3.601   7.663  -6.649
   67    HA   LEU   9           HA       LEU   9  -5.667   9.611  -6.612
   68    HB2  LEU   9           1HB      LEU   9  -2.768   9.534  -6.099
   69    HB3  LEU   9           2HB      LEU   9  -3.409  11.096  -6.603
   70    HG   LEU   9           HG       LEU   9  -5.106  10.792  -4.699
   71   HD11  LEU   9          1HD1      LEU   9  -3.002   8.876  -3.715
   72   HD12  LEU   9          2HD1      LEU   9  -4.558   8.376  -4.376
   73   HD13  LEU   9          3HD1      LEU   9  -4.495   9.346  -2.904
   74   HD21  LEU   9          3HD2      LEU   9  -3.553  11.733  -3.081
   75   HD22  LEU   9          1HD2      LEU   9  -3.269  12.414  -4.683
   76   HD23  LEU   9          2HD2      LEU   9  -2.185  11.177  -4.046
   77    H    ALA  10           H        ALA  10  -3.419   8.536  -9.018
   78    HA   ALA  10           HA       ALA  10  -3.189   9.036 -11.228
   79    HB1  ALA  10           1HB      ALA  10  -5.033   9.752 -12.415
   80    HB2  ALA  10           2HB      ALA  10  -5.774   9.100 -10.952
   81    HB3  ALA  10           3HB      ALA  10  -5.566  10.842 -11.134
   82    H    MET  11           H        MET  11  -1.392  10.318  -9.977
   83    HA   MET  11           HA       MET  11  -1.423  13.060  -9.671
   84    HB2  MET  11           1HB      MET  11   0.898  11.390 -10.653
   85    HB3  MET  11           2HB      MET  11   1.010  12.984  -9.920
   86    HG2  MET  11           1HG      MET  11  -0.248  10.705  -8.449
   87    HG3  MET  11           2HG      MET  11   1.502  10.913  -8.483
   88    HE1  MET  11           3HE      MET  11  -0.439  11.543  -5.293
   89    HE2  MET  11           1HE      MET  11  -1.617  12.640  -6.015
   90    HE3  MET  11           2HE      MET  11  -1.304  11.071  -6.756
   91    H    CYS  12           H        CYS  12   0.157  11.498 -12.458
   92    HA   CYS  12           HA       CYS  12   0.237  13.786 -14.050
   93    HB2  CYS  12           1HB      CYS  12   0.766  12.316 -15.893
   94    HB3  CYS  12           2HB      CYS  12   1.561  11.713 -14.443
   95    H    GLY  13           H        GLY  13  -0.944  14.254 -16.034
   96    HA2  GLY  13           1HA      GLY  13  -2.855  14.147 -17.412
   97    HA3  GLY  13           2HA      GLY  13  -3.629  13.112 -16.221
   98    H    ALA  14           H        ALA  14  -2.836  14.991 -14.037
   99    HA   ALA  14           HA       ALA  14  -5.022  16.904 -14.458
  100    HB1  ALA  14           1HB      ALA  14  -3.741  15.852 -11.944
  101    HB2  ALA  14           2HB      ALA  14  -4.938  17.147 -11.965
  102    HB3  ALA  14           3HB      ALA  14  -5.371  15.537 -12.539
  103    H    GLY  15           H        GLY  15  -2.171  17.167 -15.402
  104    HA2  GLY  15           1HA      GLY  15  -1.099  19.240 -15.835
  105    HA3  GLY  15           2HA      GLY  15  -1.771  19.869 -14.338
  106    H    TYR  16           H        TYR  16  -0.509  16.768 -13.944
  107    HA   TYR  16           HA       TYR  16   1.714  17.829 -12.411
  108    HB2  TYR  16           1HB      TYR  16   0.243  15.267 -12.553
  109    HB3  TYR  16           2HB      TYR  16   1.954  15.142 -12.155
  110    HD1  TYR  16           HD2      TYR  16  -0.880  17.397 -11.201
  111    HD2  TYR  16           HD1      TYR  16   2.379  14.991  -9.902
  112    HE1  TYR  16           HE2      TYR  16  -1.387  17.982  -8.866
  113    HE2  TYR  16           HE1      TYR  16   1.881  15.568  -7.564
  114    HH   TYR  16           HH       TYR  16   0.460  16.585  -6.180
  115    H    ASP  17           H        ASP  17   1.150  16.118 -15.393
  116    HA   ASP  17           HA       ASP  17   4.056  16.109 -15.886
  117    HB2  ASP  17           1HB      ASP  17   2.001  14.100 -16.832
  118    HB3  ASP  17           2HB      ASP  17   3.686  14.130 -17.346
  119    H    SER  18           H        SER  18   4.220  15.618 -18.492
  120    HA   SER  18           HA       SER  18   3.165  18.046 -19.659
  121    HB2  SER  18           1HB      SER  18   5.059  15.924 -20.678
  122    HB3  SER  18           2HB      SER  18   4.530  17.288 -21.663
  123    H    GLY  19           H        GLY  19   0.933  17.210 -19.407
  124    HA2  GLY  19           1HA      GLY  19  -0.140  15.124 -18.954
  125    HA3  GLY  19           2HA      GLY  19  -0.625  15.544 -20.591
  126    H    THR  20           H        THR  20   1.785  13.739 -18.729
  127    HA   THR  20           HA       THR  20   1.698  11.616 -20.707
  128    HB   THR  20           HB       THR  20   3.523  13.187 -21.454
  129    HG1  THR  20           HG1      THR  20   3.519  10.906 -21.936
  130   HG21  THR  20          3HG2      THR  20   4.312  13.836 -19.214
  131   HG22  THR  20          1HG2      THR  20   5.617  13.191 -20.209
  132   HG23  THR  20          2HG2      THR  20   4.890  12.190 -18.952
  133    H    CYS  21           H        CYS  21   2.052   9.632 -19.839
  134    HA   CYS  21           HA       CYS  21   3.044   9.511 -17.070
  135    HB2  CYS  21           1HB      CYS  21   0.804   7.782 -18.122
  136    HB3  CYS  21           2HB      CYS  21   1.346   7.949 -16.455
  137    H    ASP  22           H        ASP  22   3.089   6.871 -16.618
  138    HA   ASP  22           HA       ASP  22   4.246   5.442 -18.845
  139    HB2  ASP  22           1HB      ASP  22   5.920   6.857 -16.944
  140    HB3  ASP  22           2HB      ASP  22   6.247   5.126 -16.921
  141    H    TYR  23           H        TYR  23   4.767   5.164 -15.342
  142    HA   TYR  23           HA       TYR  23   4.212   2.401 -15.288
  143    HB2  TYR  23           1HB      TYR  23   4.016   4.248 -12.912
  144    HB3  TYR  23           2HB      TYR  23   4.450   2.542 -12.926
  145    HD1  TYR  23           HD2      TYR  23   6.524   2.214 -14.803
  146    HD2  TYR  23           HD1      TYR  23   5.794   5.569 -12.290
  147    HE1  TYR  23           HE2      TYR  23   8.905   2.817 -14.927
  148    HE2  TYR  23           HE1      TYR  23   8.173   6.182 -12.407
  149    HH   TYR  23           HH       TYR  23  10.219   5.197 -14.622
  150    H    MET  24           H        MET  24   2.185   5.196 -15.082
  151    HA   MET  24           HA       MET  24  -0.032   4.076 -13.758
  152    HB2  MET  24           1HB      MET  24   0.236   6.346 -15.722
  153    HB3  MET  24           2HB      MET  24  -1.313   5.896 -15.020
  154    HG2  MET  24           1HG      MET  24  -0.684   7.526 -13.570
  155    HG3  MET  24           2HG      MET  24   0.015   6.123 -12.766
  156    HE1  MET  24           3HE      MET  24   3.648   6.371 -13.003
  157    HE2  MET  24           1HE      MET  24   2.618   6.823 -11.644
  158    HE3  MET  24           2HE      MET  24   2.185   5.447 -12.658
  159    H    TYR  25           H        TYR  25   0.817   4.256 -17.194
  160    HA   TYR  25           HA       TYR  25  -1.564   3.058 -18.148
  161    HB2  TYR  25           1HB      TYR  25   1.165   3.506 -19.320
  162    HB3  TYR  25           2HB      TYR  25  -0.038   2.562 -20.191
  163    HD1  TYR  25           HD1      TYR  25  -0.056   5.766 -18.252
  164    HD2  TYR  25           HD2      TYR  25  -1.088   3.751 -21.855
  165    HE1  TYR  25           HE1      TYR  25  -1.044   7.843 -19.123
  166    HE2  TYR  25           HE2      TYR  25  -2.078   5.823 -22.736
  167    HH   TYR  25           HH       TYR  25  -1.549   8.839 -21.374
  168    H    SER  26           H        SER  26   0.986   1.780 -16.396
  169    HA   SER  26           HA       SER  26   0.905  -0.870 -17.568
  170    HB2  SER  26           1HB      SER  26   3.001   0.150 -16.604
  171    HB3  SER  26           2HB      SER  26   2.269  -0.015 -15.008
  172    HG   SER  26           HG       SER  26   2.776  -2.130 -16.834
  173    H    HIS  27           H        HIS  27  -1.555   0.234 -16.468
  174    HA   HIS  27           HA       HIS  27  -3.325  -0.366 -15.167
  175    HB2  HIS  27           1HB      HIS  27  -1.839  -2.933 -15.562
  176    HB3  HIS  27           2HB      HIS  27  -3.219  -2.902 -14.469
  177    HD1  HIS  27           HD1      HIS  27  -2.343  -2.345 -18.096
  178    HD2  HIS  27           HD2      HIS  27  -5.683  -2.913 -15.692
  179    HE1  HIS  27           HE1      HIS  27  -4.268  -2.663 -19.683
  180    H    CYS  28           H        CYS  28  -1.614   1.075 -13.730
  181    HA   CYS  28           HA       CYS  28  -1.384  -0.351 -11.160
  182    HB2  CYS  28           1HB      CYS  28   0.679   0.752 -12.495
  183    HB3  CYS  28           2HB      CYS  28   0.149   2.155 -11.573
  184    H    PHE  29           H        PHE  29  -2.822   2.245 -12.852
  185    HA   PHE  29           HA       PHE  29  -3.823   3.373 -10.320
  186    HB2  PHE  29           1HB      PHE  29  -3.132   4.687 -12.931
  187    HB3  PHE  29           2HB      PHE  29  -4.292   5.432 -11.837
  188    HD1  PHE  29           HD2      PHE  29  -0.997   3.724 -11.424
  189    HD2  PHE  29           HD1      PHE  29  -3.387   7.159 -10.644
  190    HE1  PHE  29           HE2      PHE  29   0.855   4.718 -10.144
  191    HE2  PHE  29           HE1      PHE  29  -1.539   8.158  -9.365
  192    HZ   PHE  29           HZ       PHE  29   0.585   6.937  -9.112
  193    H    GLY  30           H        GLY  30  -4.607   2.074 -13.439
  194    HA2  GLY  30           1HA      GLY  30  -6.676   1.024 -13.906
  195    HA3  GLY  30           2HA      GLY  30  -7.428   2.004 -12.656
  196    H    VAL  31           H        VAL  31  -5.332   3.376 -15.090
  197    HA   VAL  31           HA       VAL  31  -7.633   4.866 -16.141
  198    HB   VAL  31           HB       VAL  31  -5.965   6.433 -17.070
  199   HG11  VAL  31          1HG1      VAL  31  -5.513   7.542 -15.054
  200   HG12  VAL  31          2HG1      VAL  31  -6.958   6.585 -14.720
  201   HG13  VAL  31          3HG1      VAL  31  -5.381   6.033 -14.152
  202   HG21  VAL  31          3HG2      VAL  31  -3.613   6.243 -16.327
  203   HG22  VAL  31          1HG2      VAL  31  -3.981   4.655 -15.654
  204   HG23  VAL  31          2HG2      VAL  31  -4.103   4.927 -17.393
  205    H    LYS  32           H        LYS  32  -4.957   2.801 -17.094
  206    HA   LYS  32           HA       LYS  32  -5.030   3.062 -19.846
  207    HB2  LYS  32           1HB      LYS  32  -3.291   1.759 -18.920
  208    HB3  LYS  32           2HB      LYS  32  -4.419   0.708 -18.073
  209    HG2  LYS  32           1HG      LYS  32  -3.412  -0.428 -19.969
  210    HG3  LYS  32           2HG      LYS  32  -5.152  -0.236 -20.197
  211    HD2  LYS  32           1HD      LYS  32  -4.090   0.287 -22.270
  212    HD3  LYS  32           2HD      LYS  32  -4.659   1.803 -21.567
  213    HE2  LYS  32           1HE      LYS  32  -2.522   2.508 -21.034
  214    HE3  LYS  32           2HE      LYS  32  -1.872   0.870 -21.030
  215    HZ1  LYS  32           3HZ      LYS  32  -2.448   2.626 -23.323
  216    HZ2  LYS  32           1HZ      LYS  32  -2.433   0.947 -23.529
  217    HZ3  LYS  32           2HZ      LYS  32  -1.046   1.744 -22.979
  218    H    HIS  33           H        HIS  33  -6.519   2.668 -21.339
  219    HA   HIS  33           HA       HIS  33  -9.074   1.649 -20.701
  220    HB2  HIS  33           1HB      HIS  33  -7.688   2.299 -23.290
  221    HB3  HIS  33           2HB      HIS  33  -9.296   1.580 -23.276
  222    HD1  HIS  33           HD1      HIS  33  -7.487   4.762 -22.672
  223    HD2  HIS  33           HD2      HIS  33 -11.343   3.267 -22.270
  224    HE1  HIS  33           HE1      HIS  33  -8.956   6.774 -22.328
  225    H    SER  34           H        SER  34 -10.045  -0.139 -22.204
  226    HA   SER  34           HA       SER  34  -8.923  -2.587 -21.409
  227    HB2  SER  34           1HB      SER  34 -11.358  -2.027 -22.104
  228    HB3  SER  34           2HB      SER  34 -10.802  -2.350 -23.747
  229    HG   SER  34           HG       SER  34 -11.202  -4.350 -23.241
  230    H    SER  35           H        SER  35  -9.197  -1.240 -24.703
  231    HA   SER  35           HA       SER  35  -7.306  -3.161 -25.728
  232    HB2  SER  35           1HB      SER  35  -7.592  -1.680 -27.844
  233    HB3  SER  35           2HB      SER  35  -8.969  -2.632 -27.290
  234    HG   SER  35           HG       SER  35  -8.499   0.127 -26.815
  235    H    GLY  36           H        GLY  36  -5.327  -2.797 -24.788
  236    HA2  GLY  36           1HA      GLY  36  -3.989  -0.316 -25.635
  237    HA3  GLY  36           2HA      GLY  36  -3.883  -0.825 -23.956
  238    H    GLY  37           H        GLY  37  -2.799  -2.833 -23.472
  239    HA2  GLY  37           1HA      GLY  37  -1.578  -4.723 -24.726
  240    HA3  GLY  37           2HA      GLY  37  -0.689  -3.390 -25.449
  241    H    GLY  38           H        GLY  38   1.201  -4.479 -24.547
  242    HA2  GLY  38           1HA      GLY  38   2.937  -3.996 -23.015
  243    HA3  GLY  38           2HA      GLY  38   1.730  -3.483 -21.845
  244    H    GLY  39           H        GLY  39   3.780  -5.110 -21.049
  245    HA2  GLY  39           1HA      GLY  39   2.291  -7.472 -20.221
  246    HA3  GLY  39           2HA      GLY  39   3.764  -7.772 -21.131
  247    H    SER  40           H        SER  40   2.414  -6.776 -18.105
  248    HA   SER  40           HA       SER  40   5.052  -7.074 -16.872
  249    HB2  SER  40           1HB      SER  40   4.955  -4.719 -16.983
  250    HB3  SER  40           2HB      SER  40   3.234  -4.686 -16.598
  251    HG   SER  40           HG       SER  40   5.387  -5.317 -14.866
  252    H    TYR  41           H        TYR  41   5.028  -7.891 -14.791
  253    HA   TYR  41           HA       TYR  41   2.628  -9.305 -14.055
  254    HB2  TYR  41           1HB      TYR  41   5.158 -10.030 -13.844
  255    HB3  TYR  41           2HB      TYR  41   5.040  -9.212 -12.291
  256    HD1  TYR  41           HD2      TYR  41   3.634 -10.104 -10.516
  257    HD2  TYR  41           HD1      TYR  41   3.942 -12.088 -14.267
  258    HE1  TYR  41           HE2      TYR  41   2.623 -12.116  -9.528
  259    HE2  TYR  41           HE1      TYR  41   2.931 -14.106 -13.290
  260    HH   TYR  41           HH       TYR  41   1.785 -14.908 -11.498
  261    H    HIS  42           H        HIS  42   1.731  -9.243 -11.874
  262    HA   HIS  42           HA       HIS  42   1.545  -6.488 -10.920
  263    HB2  HIS  42           1HB      HIS  42  -0.154  -8.941 -10.495
  264    HB3  HIS  42           2HB      HIS  42  -0.377  -7.476  -9.543
  265    HD1  HIS  42           HD1      HIS  42  -0.794  -5.244 -11.129
  266    HD2  HIS  42           HD2      HIS  42  -1.623  -8.973 -12.763
  267    HE1  HIS  42           HE1      HIS  42  -2.311  -4.799 -13.084
  268    H    CYS  43           H        CYS  43   3.943  -7.826 -10.323
  269    HA   CYS  43           HA       CYS  43   4.070  -9.106  -7.863
  270    HB2  CYS  43           1HB      CYS  43   5.915  -8.556  -9.665
  271    HB3  CYS  43           2HB      CYS  43   6.214  -7.165  -8.627
  272    H1   NAG 101           H1       NAG 100   5.583  19.394 -21.197
  273    H2   NAG 101           HC2      NAG 100   7.384  19.490 -18.714
  274    H3   NAG 101           HC3      NAG 100   6.421  21.722 -20.596
  275    H4   NAG 101           HC4      NAG 100   9.207  20.446 -20.322
  276    H5   NAG 101           H5       NAG 100   7.073  20.172 -22.514
  277    H61  NAG 101           1H6      NAG 100   9.419  20.323 -23.395
  278    H62  NAG 101           2H6      NAG 100   9.927  19.045 -22.281
  279    H81  NAG 101           3H8      NAG 100   3.991  20.753 -16.213
  280    H82  NAG 101           1H8      NAG 100   2.997  19.977 -17.491
  281    H83  NAG 101           2H8      NAG 100   3.600  19.003 -16.109
  282    HN2  NAG 101           H2       NAG 100   4.846  21.011 -18.925
  283    HO3  NAG 101           H3       NAG 100   8.029  22.927 -19.399
  284    HO4  NAG 101           H4       NAG 100   9.805  21.917 -21.823
  285    HO6  NAG 101           HO6      NAG 100   8.007  17.806 -23.354
  286    H1   NAG 102           H1       NAG 200   7.902  -7.930  -6.420
  287    H2   NAG 102           HC2      NAG 200   9.446  -9.941  -4.691
  288    H3   NAG 102           HC3      NAG 200   9.787  -6.907  -5.047
  289    H4   NAG 102           HC4      NAG 200  11.540  -9.217  -6.075
  290    H5   NAG 102           H5       NAG 200   9.613  -7.339  -7.555
  291    H61  NAG 102           1H6      NAG 200  11.734  -7.812  -8.811
  292    H62  NAG 102           2H6      NAG 200  11.500  -9.549  -8.566
  293    H81  NAG 102           3H8      NAG 200   6.230  -8.055  -2.136
  294    H82  NAG 102           1H8      NAG 200   5.607  -9.737  -2.068
  295    H83  NAG 102           2H8      NAG 200   7.013  -9.259  -1.058
  296    HN2  NAG 102           H2       NAG 200   8.030  -7.594  -3.558
  297    HO3  NAG 102           H3       NAG 200  11.755  -7.355  -3.864
  298    HO4  NAG 102           H4       NAG 200  12.834  -7.627  -6.832
  299    HO6  NAG 102           HO6      NAG 200   9.243  -9.050  -9.582