*HEADER    SUGAR BINDING PROTEIN                   13-APR-04   1T0W              
*TITLE     25 NMR STRUCTURES OF TRUNCATED HEVEIN OF 32 AA (HEVEIN-32)            
*TITLE    2 COMPLEX WITH N,N,N-TRIACETYLGLUCOSAMINA                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEVEIN;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 SYNONYM: ALLERGEN HEV B 6;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SEQUENCE PREPARED ON A MBHA RESIN BY                  
*SOURCE   4 STANDARD SOLID PHASE PEPTIDE SYNTHESIS PROTOCOLS. THE                
*SOURCE   5 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HEVEA                  
*SOURCE   6 BRASILIENSIS (PARA RUBBER TREE).                                     
*KEYWDS    ALPHA-HELIX, ANTI-PARALLEL BETA-SHEET                                 
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    N.ABOITIZ, M.VILA-PERELLO, P.GROVES, J.L.ASENSIO, D.ANDREU,           
*AUTHOR   2 F.J.CANADA, J.JIMENEZ-BARBERO                                        
*REVDAT   1   28-SEP-04 1T0W    0                                                

#HEVEINA TRUNCADA - NOES DYANA

  1 GLU
         HB2     7 ALA  QB      5.70# 1566 long range
         HB3     7 ALA  QB      5.70# 1308 long range
         HB3    22 GLY  HN      5.50# 109 long range
         HG2    23 TRP  HZ2     5.50# 140 long range
         HG3    22 GLY  HA2     5.50# 74 long range

  2 GLN
         HA      3 CYSS HN      3.50# 1436 sequencial
         HA      7 ALA  QB      7.70# 166 long range
         HB2     3 CYSS HN      5.50# 547 sequencial
         HB2    23 TRP  HA      5.50# 994 long range
         HB2    24 CYSS HN      5.50# 166 long range
         HB3     3 CYSS HN      3.50# 1632 sequencial
         HG2     3 CYSS HN      5.50# 139 sequencial

  3 CYSS
         HN      3 CYSS HB2     5.50# 469 intraresidue
         HN      3 CYSS HB3     3.50# 1741 intraresidue
         HN      7 ALA  QB      5.70# 1350 medium range
         HN     22 GLY  HA1     5.50# 700 long range
         HN     22 GLY  HA2     5.50# 85 long range
         HA      4 GLY  HN      3.50# 3975 sequencial
         HA      7 ALA  QB      5.70# 1999 medium range
         HA     10 LYS  HN      5.50# 149 long range
         HA     10 LYS  HB2     3.50# 2065 long range
         HB2     4 GLY  HN      5.50# 888 sequencial
         HB2     7 ALA  QB      7.70# 118 medium range
         HB2    12 CYSS HA      5.50# 246 long range
         HB2    18 CYSS HB3     5.50# 334 long range
         HB3     4 GLY  HN      3.50# 2593 sequencial
         HB3     7 ALA  QB      7.70# 390 coincide con 7 ALA QB  10 LYS HE2
 #     medium range
     HB3    11 LEU  HA      5.50# 644       long range
       # HB3    12 CYSS HA      5.50# 141 coincide con 12 CYSS HA  24 CYSS HB3
 #     long range

  4 GLY
         HN      7 ALA  QB      7.70# 123 medium range
         HN     10 LYS  HN      5.50# 70 long range
         HN     10 LYS  HB2     5.50# 227 long range
         HA1     5 ARG  HN      3.50# 1845 sequencial
         HA2     5 ARG  HN      3.50# 2515 sequencial

  5 ARG
         HN      5 ARG  HB2     3.50# 1434 intraresidue
         HN      5 ARG  HB3     3.50# 1537 intraresidue
         HN      5 ARG  HG2     3.50# 1260 intraresidue
         HN      5 ARG  HD2     5.50# 8  intraresidue
         HN      6 GLN  HN      5.50# 89 sequencial
         HA      5 ARG  HG2     5.50# 998 intraresidue
         HA      5 ARG  HD2     5.50# 94 intraresidue
         HA      6 GLN  HN      5.50# 91 sequencial
         HA      7 ALA  HN      5.50# 55 medium range
         HA      8 GLY  HN      5.50# 44 medium range
         HA      9 GLY  HN      5.50# 686 medium range
         HB2     5 ARG  HD2     3.50# 1547 intraresidue
         HB2     5 ARG  HG2     3.50# 2779 intraresidue
         HB2     6 GLN  HN      5.50# 51 sequencial
         HB2     6 GLN  HE22    5.50# 66 sequencial
         HB3     5 ARG  HD2     3.50# 1461 intraresidue
         HB3     5 ARG  HG2     3.50# 4364 intraresidue
         HB3     5 ARG  HE      5.50# 67 intraresidue
         HB3     6 GLN  HN      5.50# 107 sequencial
         HG2     6 GLN  HN      5.50# 486 sequencial
         HG2     6 GLN  HE22    5.50# 40 sequencial
         HE      6 GLN  HB3     5.50# 1042 coincide con 6 GLN HB3  21 TRP HZ3
 #     sequencial
       # HE      6 GLN  HE22    5.50# 97 solapa con 6 GLN HE22  21 TRP HZ3
 #     sequencial
 
  6 GLN
         HN      6 GLN  HB2     3.50# 1659 intraresidue
         HN      6 GLN  HB3     5.50# 809 intraresidue
         HN      6 GLN  HG2     5.50# 483 intraresidue
         HN      6 GLN  HG3     5.50# 238 intraresidue
         HN      7 ALA  HN      3.50# 1357 sequencial
         HA      6 GLN  HG2     5.50# 586 intraresidue
         HA      6 GLN  HG3     5.50# 123 intraresidue
         HA      6 GLN  HE22    5.50# 706 intraresidue
         HA      7 ALA  HN      5.50# 482 sequencial
         HB2     6 GLN  HE22    5.50# 507 intraresidue
         HB2     7 ALA  HN      5.50# 197 solapa con 6 GLN HB2  6 GLN HE22
 #     sequencial
         HB2    22 GLY  HA1     5.50# 510 long range
         HB2    22 GLY  HA2     5.50# 666 asign dudosa
 #     long range
         HB3     6 GLN  HE22    5.50# 785 intraresidue
         HB3     7 ALA  HN      5.50# 267 solapa con 6 GLN HB3  6 GLN HE22
 #     sequencial
       # HB3    10 LYS  HZ1     5.50# 353 30 TYR CZ  Me(3)
 #     medium range
       # HB3    21 TRP  HD1     5.50# 703 long range
         HB3    21 TRP  HH2     5.50# 703  long range
         HB3    21 TRP  HZ3     5.50# 657 coincide con HE 5 ARG   6 GLN HB3
 #     long range
       # HB3    23 TRP  HN      3.50# 1482 30 TYR CG  Me(3)
 #     long range
       # HB3    23 TRP  HE3     5.50#  long range
       # HE21    7 ALA  HN      2.60# 19840 solapa con 6 GLN HE21  6 GLN HE22
 #     sequencial
         HE21   21 TRP  HE3     5.50# 133 long range
         HE22   21 TRP  HN      5.50# 152 long range
         HE22   21 TRP  HA      5.50# 308  long range
       # HE22   21 TRP  HZ3     5.50# 97 solapa con 6 GLN HE22  5 ARG HE
 #     long range
         HE22   22 GLY  HA2     5.50# 217 long range

  7 ALA
         HN      7 ALA  QB      5.70# 3540 intraresidue
         HN      8 GLY  HN      3.50# 1375 sequencial
         HN      9 GLY  HN      5.50# 548 medium range
         HA      8 GLY  HN      3.50# 1918 medium range
         QB      8 GLY  HN      7.70# 250 medium range
         QB      8 GLY  HA2     7.70# 168 medium range
         QB      9 GLY  HN      7.70# 178 medium range
         QB     10 LYS  HN      7.70# 533 medium range
         QB     10 LYS  HB2     5.70# 3138 medium range
       # QB     10 LYS  HE2     7.70# 390 coincide con 3 CYSS HB3  7 ALA QB
 #     medium range

  8 GLY
         HN      9 GLY  HN      5.50# 649 sequencial
         HA1     9 GLY  HN      3.50# 1193 sequencial
         HA1    10 LYS  HN      5.50# 200 medium range
         HA2     9 GLY  HN      3.50# 1377 sequencial

  9 GLY
         HN     10 LYS  HN      3.50# 3007 sequencial
         HN     10 LYS  HB2     5.50# 189 sequencial
         HA1    10 LYS  HN      5.50# 700 sequencial

 10 LYS
         HN     10 LYS  HB2     3.50# 5521 intraresidue
         HN     10 LYS  HG2     5.50# 325 intraresidue
         HN     10 LYS  HG3     3.50# 1031 intraresidue
         HN     11 LEU  HN      5.50# 36 sequencial
         HA     10 LYS  HG2     5.50# 982 intraresidue
         HA     10 LYS  HG3     5.50# 380 intraresidue
         HA     11 LEU  HN      2.60# 14340 sequencial
         HB2    10 LYS  HE2     5.50# 560 intraresidue
         HG2    10 LYS  HE2     5.50# 247 intraresidue
         HG3    10 LYS  HE2     5.50# 479 intraresidue

 11 LEU
         HN     11 LEU  HB2     2.60# 7879 intraresidue
         HN     11 LEU  HG      3.50# 6741 intraresidue
         HN     11 LEU  QD1     7.70# 376 intraresidue
         HN     11 LEU  QD2     7.70# 188 intraresidue
         HA     11 LEU  HG      3.50# 1132 intraresidue
         HA     11 LEU  QD1     5.70# 5759 intraresidue
         HA     11 LEU  QD2     7.70# 470 intraresidue
         HA     12 CYSS HN      2.60# 8020 sequencial
         HB2    11 LEU  HG      2.60# 8270 intraresidue
         HB2    11 LEU  QD1     5.70# 3692 intraresidue
         HB2    11 LEU  QD2     4.80# 10400 intraresidue
         HB2    12 CYSS HN      3.50# 4251 sequencial
         HG     11 LEU  QD1     5.70# 5895 intraresidue
         HG     11 LEU  QD2     5.70# 5844 intraresidue
         HG     12 CYSS HN      5.50# 216 sequencial
         QD1    12 CYSS HN      7.70# 727 sequencial
         QD2    12 CYSS HN      7.70# 120 sequencial

 12 CYSS
         HN     12 CYSS HB2     3.50# 3960 intraresidue
         HN     12 CYSS HB3     3.50# 1425 intraresidue
         HN     13 PRO  HD2     5.50# 103 sequencial
         HN     18 CYSS HB3     5.50# 46 long range
         HA     13 PRO  HD2     3.50# 6535 sequencial
         HA     13 PRO  HD3     3.50# 5880 sequencial
         HA     24 CYSS HB3     5.50# 141 coincide con 3 CYSS HB3  12 CYSS HA
 #     long range
         HB2    13 PRO  HD2     3.50# 1011 sequencial
         HB2    13 PRO  HD3     5.50# 182 sequencial
       # HB2    15 ASN  HD22    5.50# 0  medium range
         HB2    16 LEU  HN      5.50# 441 medium range
         HB2    16 LEU  HB2     5.50# 886 medium range
         HB2    16 LEU  HB3     3.50# 2805 medium range
         HB2    16 LEU  QD2     7.70# 27 medium range
         HB2    24 CYSS HB2     5.50# 159 long range
         HB3    13 PRO  HD2     3.50# 3267 sequencial
         HB3    13 PRO  HD3     5.50# 773 sequencial
         HB3    16 LEU  HN      3.50# 1050 medium range
         HB3    16 LEU  HB2     3.50# 4016 medium range
         HB3    16 LEU  HB3     3.50# 6479 medium range
         HB3    16 LEU  QD1     7.70# 148 medium range
         HB3    16 LEU  QD2     5.70# 2586 medium range

 13 PRO
         HA     13 PRO  HG2     5.50# 56 intraresidue
         HA     13 PRO  HG3     5.50# 553 intraresidue
         HA     14 ASN  HN      2.60# 7691 sequencial
         HA     15 ASN  HN      5.50# 175 medium range
         HB2    13 PRO  HD2     5.50# 430 intraresidue
         HB2    13 PRO  HD3     5.50# 526 intraresidue
         HB2    14 ASN  HN      3.50# 1857 sequencial
         HB2    15 ASN  HN      5.50# 36 medium range
         HB2    16 LEU  QD2     7.70# 131 medium range
         HB3    13 PRO  HD2     5.50# 230 intraresidue
         HB3    13 PRO  HD3     5.50# 640 intraresidue
         HB3    14 ASN  HN      3.50# 1425 sequencial
       # HB3    24 CYSS HA      5.50# 145 ruido long range
         HG2    16 LEU  QD2     7.70# 917 medium range
         HD2    16 LEU  HB3     5.50# 307 medium range
         HD2    16 LEU  QD2     5.70# 1395 medium range
         HD2    24 CYSS HA      5.50# 0  long range
         HD3    16 LEU  QD2     7.70# 37 medium range

 14 ASN
         HN     14 ASN  HA      2.60# 7967 intraresidue
         HN     14 ASN  HB2     3.50# 1090 intraresidue
         HN     14 ASN  HB3     5.50# 944 intraresidue
       # HN     15 ASN  HN      5.50# 0  sequencial
       # HN     16 LEU  HN      5.50# 0  medium range
         HA     15 ASN  HN      3.50# 1376 coincide con 15 ASN HN  16 LEU HA
 #     sequencial
         HB2    15 ASN  HN      5.50# 996 sequencial
       # HB2    15 ASN  HD22    5.50# 336 sequencial
         HB2    16 LEU  HN      5.50# 243 medium range
         HB2    16 LEU  HG      5.50# 785 medium range
         HB2    16 LEU  QD2     7.70# 564 medium range
         HB3    15 ASN  HN      3.50# 1347 sequencial
         HB3    15 ASN  HD22    5.50#  sequencial
         HB3    16 LEU  HN      5.50# 224 medium range
         HB3    16 LEU  QD1     7.70# 186 medium range
         HB3    16 LEU  QD2     7.70# 238 medium range

 15 ASN
         HN     15 ASN  HB2     5.50# 976 intraresidue
         HN     15 ASN  HB3     5.50# 708 intraresidue
         HN     16 LEU  HN      3.50# 2067 sequencial
       # HN     16 LEU  HA      3.50# 1107 coincide con 14 ASN HA  15 ASN HN
 #     sequencial
         HA     16 LEU  HN      3.50# 1429 sequencial
         HA     16 LEU  HD22    5.50# 41 sequencial
         HB2    15 ASN  HD21    5.50# 596 intraresidue
         HB2    15 ASN  HD22    3.50# 964 intraresidue
         HB3    15 ASN  HD22    5.50# 116 intraresidue

 16 LEU
         HN     16 LEU  HB2     3.50# 1628 intraresidue
         HN     16 LEU  HB3     3.50# 3582 intraresidue
         HN     16 LEU  HG      3.50# 4394 intraresidue
         HN     16 LEU  QD1     7.70# 736 intraresidue
         HN     16 LEU  QD2     7.70# 844 intraresidue
         HA     16 LEU  HG      3.50# 1232 intraresidue
         HA     16 LEU  QD1     7.70# 867 intraresidue
         HA     16 LEU  QD2     7.70# 0  intraresidue
         HA     17 CYSS HN      2.60# 7320 sequencial
         HA     25 GLY  HN      5.50# 132 long range
         HB2    16 LEU  QD1     5.70# 3969 intraresidue
         HB2    16 LEU  QD2     5.70# 2869 intraresidue
         HB2    17 CYSS HN      3.50# 3629 sequencial
         HB2    24 CYSS HA      5.50# 165 long range
         HB2    24 CYSS HB2     3.50# 1241 long range
         HB2    24 CYSS HB3     5.50# 612 long range
         HB2    25 GLY  HN      3.50# 1865 long range
         HB2    26 SER  HA      5.50# 0  long range
         HB3    16 LEU  QD1     5.70# 1319 intraresidue
         HB3    16 LEU  QD2     5.70# 5085 intraresidue
         HB3    17 CYSS HN      3.50# 1062 sequencial
         HB3    24 CYSS HA      5.50# 32 long range
         HB3    24 CYSS HB2     3.50# 1043 long range
         HB3    24 CYSS HB3     5.50# 549 long range
         HB3    25 GLY  HN      5.50# 368 long range
         QD1    17 CYSS HN      5.70# 1243 sequencial
         QD1    18 CYSS HB2     7.70# 0  medium range
         QD1    24 CYSS HB2     7.70# 86 long range
         QD1    24 CYSS HB3     7.70# 121 long range
         QD1    25 GLY  HN      7.70# 667 long range
         QD1    25 GLY  HA1     7.70# 738 long range
         QD1    25 GLY  HA2     5.70# 1568 long range
         QD1    26 SER  HN      7.70# 542 long range
         QD1    26 SER  HA      5.70# 1013 long range
         QD1    26 SER  HB2     5.70# 3803 long range
         QD1    26 SER  HB3     5.70# 1443 long range
         QD1    27 THR  QG2     5.50# 140 dudoso
 #     long range
         QD2    17 CYSS HN      7.70# 141 sequencial
         QD2    24 CYSS HA      7.70# 40 long range
         QD2    24 CYSS HB2     5.70# 1523 long range
         QD2    24 CYSS HB3     5.70# 1850 long range
         QD2    25 GLY  HN      7.70# 304 long range
         QD2    25 GLY  HA1     7.70# 391 dudoso solap 16 LEU QD2 13 PRO HG3
 #     long range
         QD2    25 GLY  HA2     7.70# 627 long range

 17 CYSS
         HN     17 CYSS HA      3.50# 1122 intraresidue
         HN     17 CYSS HB2     3.50# 3387 intraresidue
         HN     17 CYSS HB3     3.50# 1144 intraresidue
         HN     18 CYSS HB2     5.50# 13 sequencial
         HN     24 CYSS HA      5.50# 12 long range
         HN     25 GLY  HN      3.50# 1446 long range
         HN     26 SER  HA      5.50# 315 long range
         HA     17 CYSS HB2     3.50# 2253 intraresidue
         HA     18 CYSS HN      2.60# 8390 sequencial
         HB2    17 CYSS HB3     2.60# 18270 intraresidue
         HB2    18 CYSS HN      5.50# 444 sequencial
         HB2    25 GLY  HN      5.50# 346 long range
         HB2    31 CYSS HA      3.50# 3159 long range
         HB3    18 CYSS HN      5.50# 588 solapa con 18 CYSS HN  25 GLY HA2
 #     sequencial
         HB3    24 CYSS HA      5.50# 145 long range
         HB3    31 CYSS HA      3.50# 3880 long range

 18 CYSS
         HN     18 CYSS HB2     3.50# 3650 intraresidue
         HN     18 CYSS HB3     3.50# 3000 intraresidue
         HN     19 SER  HN      5.50# 15 sequencial
         HN     25 GLY  HA2     5.50# 566 solapa con 17 CYSS HB3  18 CYSS HN
 #     long range
         HA     19 SER  HN      2.60# 7960 sequencial
         HA     24 CYSS HA      3.50# 1838 long range
         HA     25 GLY  HN      5.50# 175 long range
         HB2    19 SER  HN      5.50# 77 sequencial
         HB3    19 SER  HN      5.50# 960 sequencial
 
 19 SER
         HN     19 SER  HB2     3.50# 1249 intraresidue
         HN     19 SER  HB3     5.50# 439 intraresidue
         HN     23 TRP  HN      3.50# 1879 medium range
         HN     24 CYSS HA      5.50# 284 long range
         HN     25 GLY  HN      5.50# 0  long range
         HN     30 TYR  HA      5.50# 125 long range
         HN     30 TYR  HB2     5.50# 75 long range
         HN     30 TYR  CG      5.70# 1426 long range
         HA     20 GLN  HN      3.50# 3835 sequencial
         HA     21 TRP  HN      5.50# 25 medium range
         HA     30 TYR  HA      5.50# 33 long range
         HA     30 TYR  CG      7.70# 135 coincide con 23 TRP HN  23 TRP HA
 #     long range
         HB2    20 GLN  HN      5.50# 112 sequencial
         HB2    21 TRP  HD1     5.50# 142 medium range
         HB2    23 TRP  HN      3.50# 4222 coincide con 19 SER HB2 30 TYR HD1
 #     medium range
         HB2    30 TYR  HN      5.50# 140 coincide con 30 TYR HN  31 CYSS HA
 #     long range
         HB2    30 TYR  CG      7.70# 378 long range
         HB3    20 GLN  HN      5.50# 360 sequencial
         HB3    21 TRP  HN      5.50# 240 medium range
         HB3    23 TRP  HN      3.50# 1216 coincide con 19 SER HB3 30 TYR HD1
 #     medium range
         HB3    30 TYR  HA      5.50# 163 long range

 20 GLN
         HN     20 GLN  HB2     5.50# 158 intraresidue
         HN     20 GLN  HB3     5.50# 117 intraresidue
         HN     21 TRP  HN      5.50# 82 sequencial
         HA     20 GLN  HG3     5.50# 77 intraresidue
         HA     21 TRP  HN      5.50# 117 sequencial
         HA     22 GLY  HN      5.50# 51 medium range
       # HB2    20 GLN  HE21    3.50# 4156 solapa con 27 THR HN  27 THR  QG2
 #     intraresidue
         HE22   31 CYSS HN      5.50# 416 long range

 21 TRP
         HN     21 TRP  HB2     3.50# 1013 intraresidue
         HN     21 TRP  HB3     5.50# 497 intraresidue
         HN     22 GLY  HN      3.50# 1760 sequencial
       # HA     21 TRP  HE3     5.50# 308 solapa con 6 GLN HE22  21 TRP HA
 #     intraresidue
         HA     22 GLY  HN      5.50# 42 dudoso sequencial
         HB2    21 TRP  HE3     5.50# 8  intraresidue
         HB2    22 GLY  HN      5.50# 87 sequencial
         HB2    23 TRP  HD1     3.50# 2909 medium range
         HB3    21 TRP  HD1     5.50# 80 intraresidue
         HB3    21 TRP  HE3     5.50# 20 intraresidue
         HB3    23 TRP  HD1     2.60# 10170 medium range
         HE1    21 TRP  HZ2     3.50# 1392 intraresidue
       # HE1    23 TRP  HD1     5.50#      asign dudosa
 #     medium range
         HZ2    21 TRP  HZ3     5.50# 109 intraresidue

 22 GLY
         HN     23 TRP  HN      3.50# 2206 sequencial
         HA1    23 TRP  HN      5.50# 736 sequencial
         HA2    23 TRP  HN      5.50# 49 sequencial
         HA2    23 TRP  HD1     5.50# 36 sequencial
         HA2    23 TRP  HE3     5.50# 31 sequencial

 23 TRP
         HN     23 TRP  HB2     5.40# 933 coincide con 23 TRP HB2  30 TYR CG
 #     intraresidue
         HN     23 TRP  HB3     5.50# 250 int dudosa
 #     intraresidue
       # HN     24 CYSS HA      5.50#      coincide con 24 GLY HA  30 TYR HD1
 #     sequencial
         HA     23 TRP  HE3     3.50# 1340 intraresidue
         HA     24 CYSS HN      3.50# 3072 sequencial
         HB2    23 TRP  HD1     5.50# 793 intraresidue
         HB2    23 TRP  HE3     5.50# 158 intraresidue
         HB2    30 TYR  CZ      5.70# 1080 long range
         HB3    23 TRP  HD1     5.50# 992 int dudosa 
 #     intraresidue
         HB3    23 TRP  HE3     3.50# 1772 intraresidue
         HB3    24 CYSS HN      5.50# 282 sequencial
         HB3    30 TYR  CZ      5.70# 1517 long range
         HE1    23 TRP  HZ2     5.50# 918 intraresidue
         HE3    24 CYSS HN      5.50# 60 sequencial
         HZ2    23 TRP  HZ3     5.50# 295 intraresidue

 24 CYSS
         HN     24 CYSS HB2     5.50# 479 intraresidue
         HN     24 CYSS HB3     3.50# 1917 intraresidue
         HA     25 GLY  HN      2.60# 7159 sequencial
         HA     25 GLY  HA1     5.50# 0  sequencial
         HA     30 TYR  CG      7.70# 729  conicide con 23 TRP HN  13 CYSS HA
 #     long range
         HB2    25 GLY  HN      3.50# 1299 sequencial

 25 GLY
         HN     26 SER  HN      5.50# 0  sequencial
         HN     30 TYR  HB2     5.50# 706 long range
         HN     30 TYR  HB3     5.50# 809 long range
         HN     30 TYR  CG      5.70# 1002 long range
         HA1    26 SER  HN      3.50# 3581 sequencial
         HA1    27 THR  HN      5.50# 273 medium range
         HA1    30 TYR  CG      5.50# 904 long range
         HA2    26 SER  HN      3.50# 3144 sequencial
         HA2    27 THR  HN      5.50# 311 medium range
         HA2    30 TYR  CZ      7.70# 857 long range

 26 SER
         HN     26 SER  HB2     5.50# 589 intraresidue
         HN     26 SER  HB3     5.50# 415 intraresidue
         HN     27 THR  HN      3.50# 3146 sequencial
         HN     27 THR  HA      5.50# 744 sequencial
         HN     27 THR  QG2     7.70# 397 sequencial
         HN     30 TYR  CG      7.70# 93 medium range
         HA     27 THR  HN      5.50# 415 sequencial
         HB2    26 SER  HB3     2.60# 12250 intraresidue
         HB3    27 THR  QG2     5.50# 234 sequencial

 27 THR
         HN     27 THR  HB      5.50# 135 intraresidue
         HN     27 THR  QG2     5.70# 4156 coincide con 20 GLN HB2  20 GLN HE21
 #     intraresidue
         HN     30 TYR  HB2     5.50# 194 medium range
         HN     30 TYR  HB3     5.50# 403 medium range
         HN     30 TYR  CG      7.70# 167 medium range
         HA     27 THR  QG2     5.70# 5187 intraresidue
         HA     28 ASP  HN      3.50# 3542 sequencial
         HA     29 GLU  HN      5.50# 144 medium range
         HA     30 TYR  CG      7.70# 549 medium range
         HB     28 ASP  HN      3.50# 3017 sequencial
         HB     29 GLU  HN      5.50# 212 medium range
         QG2    28 ASP  HN      7.70# 879 sequencial
         QG2    30 TYR  CG      7.70# 583 medium range
         QG2    30 TYR  CZ      7.70# 0  medium range

 28 ASP
         HN     28 ASP  HB2     3.50# 3037 intraresidue
         HN     29 GLU  HN      5.50# 144 sequencial
         HA     29 GLU  HN      5.50# 19 sequencial
         HA     30 TYR  HN      5.50# 86 medium range
         HA     31 CYSS HN      3.50# 1164 medium range
         HA     31 CYSS HB2     3.50# 2411 medium range
         HA     31 CYSS HB3     5.50# 370 medium range
         HA     32 SER  HN      5.50# 622 medium range
         HB2    29 GLU  HN      5.50# 594 sequencial
         HB2    32 SER  HB2     5.50# 323 medium range

 29 GLU
         HN     29 GLU  HB2     3.50# 2699 intraresidue
         HN     29 GLU  HG2     5.50# 183 intraresidue
         HN     29 GLU  HG3     5.50# 295 intraresidue
         HN     30 TYR  HN      5.50# 865 sequencial
         HN     30 TYR  CG      7.70# 169 sequencial
         HN     31 CYSS HN      5.50# 0  medium range
         HA     29 GLU  HG2     5.50# 211 intraresidue
         HB2    30 TYR  HN      5.50# 860 sequencial
         HB2    30 TYR  CG      5.70# 1047 sequencial

 30 TYR
         HN     30 TYR  HB2     5.50# 796 intraresidue
         HN     30 TYR  HB3     3.50# 2478 intraresidue
         HN     30 TYR  CG      5.70# 3672 intraresidue
         HN     31 CYSS HN      5.50# 814 asign dudosa
 #     sequencial
         HN     31 CYSS HA      5.50# 306 coincide con 19 SER HB2  30 TYR  HN
 #     sequencial
         HA     30 TYR  CG      5.70# 1910 intraresidue
         HA     31 CYSS HN      5.50# 469 sequencial
         HB2    31 CYSS HN      5.50# 439  sequencial
         HB3    31 CYSS HN      3.50# 1848 sequencial

 31 CYSS
         HN     31 CYSS HB2     3.50# 3868 intraresidue
         HN     31 CYSS HB3     3.50# 1624 intraresidue
         HN     32 SER  HN      5.50# 978 sequencial
         HN     32 SER  HB2     5.50# 0  sequencial
         HA     32 SER  HN      5.50# 481 sequencial
         HB2    32 SER  HN      5.50# 554 sequencial
         HB3    32 SER  HN      5.50# 271 sequencial

 32 SER
         HN     32 SER  HB2     3.50# 2641 intraresidue

   3 CYSS SG    18 CYSS SG      2.10    
   3 CYSS SG    18 CYSS CB      3.10    
   3 CYSS CB    18 CYSS SG      3.10    
  12 CYSS SG    24 CYSS SG      2.10    
  12 CYSS SG    24 CYSS CB      3.10    
  12 CYSS CB    24 CYSS SG      3.10 
  17 CYSS SG    31 CYSS SG      2.10    
  17 CYSS SG    31 CYSS CB      3.10    
  17 CYSS CB    31 CYSS SG      3.10 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1           H1       GLU   1   1.491   6.517   1.627
    2   2H    GLU   1           H2       GLU   1   2.893   6.872   2.424
    3   3H    GLU   1           H3       GLU   1   1.422   7.092   3.188
    4    HA   GLU   1           HA       GLU   1   2.242   5.259   4.166
    5   1HB   GLU   1          HB2       GLU   1   0.590   4.121   2.029
    6   2HB   GLU   1          HB3       GLU   1   0.725   3.619   3.578
    7   1HG   GLU   1          HG2       GLU   1  -0.834   5.766   2.553
    8   2HG   GLU   1          HG3       GLU   1  -1.310   4.549   3.533
    9    H    GLN   2           H        GLN   2   2.436   2.549   2.739
   10    HA   GLN   2           HA       GLN   2   5.289   2.992   1.917
   11   1HB   GLN   2          HB2       GLN   2   3.834   0.734   3.107
   12   2HB   GLN   2          HB3       GLN   2   5.229   0.467   2.300
   13   1HG   GLN   2          HG2       GLN   2   6.415   1.824   3.793
   14   2HG   GLN   2          HG3       GLN   2   5.033   2.284   4.532
   15   1HE2  GLN   2          1HE2      GLN   2   7.115   1.252   6.124
   16   2HE2  GLN   2          2HE2      GLN   2   6.615  -0.368   6.635
   17    H    CYS   3           H        CYS   3   2.242   1.598   0.763
   18    HA   CYS   3           HA       CYS   3   3.499   1.143  -1.900
   19   1HB   CYS   3          HB2       CYS   3   2.664  -1.126  -1.971
   20   2HB   CYS   3          HB3       CYS   3   3.615  -0.927  -0.506
   21    H    GLY   4           H        GLY   4   1.674   0.455  -3.500
   22   1HA   GLY   4          HA1       GLY   4  -0.352   0.907  -4.523
   23   2HA   GLY   4          HA2       GLY   4  -1.036   1.110  -2.905
   24    H    ARG   5           H        ARG   5  -2.355   2.664  -4.188
   25    HA   ARG   5           HA       ARG   5  -1.393   4.929  -5.509
   26   1HB   ARG   5          HB2       ARG   5  -3.730   4.009  -5.324
   27   2HB   ARG   5          HB3       ARG   5  -3.909   4.917  -3.978
   28   1HG   ARG   5          HG2       ARG   5  -3.211   6.085  -6.502
   29   2HG   ARG   5          HG3       ARG   5  -4.769   5.891  -6.050
   30   1HD   ARG   5          HD2       ARG   5  -2.868   7.624  -4.759
   31   2HD   ARG   5          HD3       ARG   5  -4.127   8.113  -5.678
   32    HE   ARG   5           HE       ARG   5  -4.778   6.592  -3.301
   33   1HH1  ARG   5          2HH2      ARG   5  -4.753   9.828  -4.699
   34   2HH1  ARG   5          1HH2      ARG   5  -5.874  10.400  -3.510
   35   1HH2  ARG   5          2HH1      ARG   5  -6.168   7.360  -1.887
   36   2HH2  ARG   5          1HH1      ARG   5  -6.666   9.018  -1.935
   37    H    GLN   6           H        GLN   6  -2.245   4.748  -2.020
   38    HA   GLN   6           HA       GLN   6  -1.394   7.498  -1.577
   39   1HB   GLN   6          HB2       GLN   6  -1.988   5.371   0.364
   40   2HB   GLN   6          HB3       GLN   6  -1.707   6.935   0.744
   41   1HG   GLN   6          HG2       GLN   6  -3.965   6.752   0.804
   42   2HG   GLN   6          HG3       GLN   6  -3.664   7.473  -0.630
   43   1HE2  GLN   6          1HE2      GLN   6  -3.596   4.126   0.355
   44   2HE2  GLN   6          2HE2      GLN   6  -4.849   3.563  -0.735
   45    H    ALA   7           H        ALA   7   0.625   4.974  -2.367
   46    HA   ALA   7           HA       ALA   7   2.810   6.535  -1.037
   47   1HB   ALA   7          HB1       ALA   7   2.644   4.140  -0.306
   48   2HB   ALA   7          HB2       ALA   7   2.959   3.662  -1.991
   49   3HB   ALA   7          HB3       ALA   7   4.186   4.566  -1.078
   50    H    GLY   8           H        GLY   8   1.124   6.440  -3.862
   51   1HA   GLY   8          HA1       GLY   8   1.677   6.939  -6.045
   52   2HA   GLY   8          HA2       GLY   8   3.319   7.313  -5.514
   53    H    GLY   9           H        GLY   9   1.541   4.237  -5.232
   54   1HA   GLY   9          HA1       GLY   9   1.451   2.474  -6.747
   55   2HA   GLY   9          HA2       GLY   9   2.604   3.309  -7.778
   56    H    LYS  10           H        LYS  10   3.761   2.755  -4.530
   57    HA   LYS  10           HA       LYS  10   5.698   0.799  -5.600
   58   1HB   LYS  10          HB2       LYS  10   5.417   2.228  -3.088
   59   2HB   LYS  10          HB3       LYS  10   6.105   0.751  -2.975
   60   1HG   LYS  10          HG2       LYS  10   7.788   2.371  -3.281
   61   2HG   LYS  10          HG3       LYS  10   7.735   1.390  -4.586
   62   1HD   LYS  10          HD2       LYS  10   7.999   3.621  -5.307
   63   2HD   LYS  10          HD3       LYS  10   6.531   3.084  -5.780
   64   1HE   LYS  10          HE2       LYS  10   5.560   4.130  -3.851
   65   2HE   LYS  10          HE3       LYS  10   7.030   4.724  -3.458
   66   1HZ   LYS  10          HZ1       LYS  10   5.594   6.278  -4.518
   67   2HZ   LYS  10          HZ2       LYS  10   7.037   6.098  -5.337
   68   3HZ   LYS  10          HZ3       LYS  10   5.637   5.388  -5.883
   69    H    LEU  11           H        LEU  11   6.109  -1.234  -4.471
   70    HA   LEU  11           HA       LEU  11   3.583  -2.751  -3.944
   71   1HB   LEU  11          HB2       LEU  11   6.014  -3.666  -5.372
   72   2HB   LEU  11          HB3       LEU  11   4.679  -4.563  -5.089
   73    HG   LEU  11           HG       LEU  11   4.790  -2.177  -6.865
   74   1HD1  LEU  11          1HD1      LEU  11   4.449  -3.788  -8.677
   75   2HD1  LEU  11          2HD1      LEU  11   5.931  -4.168  -7.782
   76   3HD1  LEU  11          3HD1      LEU  11   4.462  -5.133  -7.518
   77   1HD2  LEU  11          1HD2      LEU  11   2.545  -2.378  -5.878
   78   2HD2  LEU  11          2HD2      LEU  11   2.508  -2.898  -7.562
   79   3HD2  LEU  11          3HD2      LEU  11   2.504  -4.114  -6.269
   80    H    CYS  12           H        CYS  12   4.446  -5.066  -3.029
   81    HA   CYS  12           HA       CYS  12   5.755  -4.271  -0.482
   82   1HB   CYS  12          HB2       CYS  12   3.478  -6.113  -1.249
   83   2HB   CYS  12          HB3       CYS  12   4.255  -6.242   0.320
   84    HA   PRO  13           HA       PRO  13   8.835  -7.190  -0.965
   85   1HB   PRO  13          HB2       PRO  13   9.534  -7.751   1.533
   86   2HB   PRO  13          HB3       PRO  13   9.644  -6.220   0.975
   87   1HG   PRO  13          HG2       PRO  13   7.508  -7.333   2.595
   88   2HG   PRO  13          HG3       PRO  13   8.276  -5.911   2.831
   89   1HD   PRO  13          HD2       PRO  13   5.988  -5.971   1.561
   90   2HD   PRO  13          HD3       PRO  13   7.126  -4.873   1.153
   91    H    ASN  14           H        ASN  14   9.713  -9.251  -0.617
   92    HA   ASN  14           HA       ASN  14   9.772 -11.467  -0.868
   93   1HB   ASN  14          HB2       ASN  14   9.454 -11.116   1.612
   94   2HB   ASN  14          HB3       ASN  14   7.940 -11.697   1.421
   95   1HD2  ASN  14          1HD2      ASN  14   7.553 -14.033   1.131
   96   2HD2  ASN  14          2HD2      ASN  14   8.996 -15.040   1.135
   97    H    ASN  15           H        ASN  15   6.415 -11.031   0.063
   98    HA   ASN  15           HA       ASN  15   5.330 -11.865  -2.482
   99   1HB   ASN  15          HB2       ASN  15   4.450 -13.969  -1.809
  100   2HB   ASN  15          HB3       ASN  15   6.058 -14.014  -1.529
  101   1HD2  ASN  15          1HD2      ASN  15   2.991 -13.492   0.036
  102   2HD2  ASN  15          2HD2      ASN  15   3.502 -14.196   1.591
  103    H    LEU  16           H        LEU  16   4.927  -9.801   0.013
  104    HA   LEU  16           HA       LEU  16   2.321 -10.744   0.935
  105   1HB   LEU  16          HB2       LEU  16   3.762  -8.256   1.593
  106   2HB   LEU  16          HB3       LEU  16   2.512  -8.902   2.421
  107    HG   LEU  16           HG       LEU  16   5.258 -10.017   2.289
  108   1HD1  LEU  16          1HD1      LEU  16   3.675  -8.782   4.581
  109   2HD1  LEU  16          2HD1      LEU  16   5.325  -9.433   4.676
  110   3HD1  LEU  16          3HD1      LEU  16   5.004  -7.990   3.697
  111   1HD2  LEU  16          1HD2      LEU  16   2.928 -11.017   3.981
  112   2HD2  LEU  16          2HD2      LEU  16   3.530 -11.828   2.512
  113   3HD2  LEU  16          3HD2      LEU  16   4.573 -11.656   3.927
  114    H    CYS  17           H        CYS  17   0.446  -9.335   1.052
  115    HA   CYS  17           HA       CYS  17  -0.115  -7.968  -1.483
  116   1HB   CYS  17          HB2       CYS  17  -1.800  -8.319   1.025
  117   2HB   CYS  17          HB3       CYS  17  -2.318  -7.619  -0.487
  118    H    CYS  18           H        CYS  18  -1.458  -5.893  -1.106
  119    HA   CYS  18           HA       CYS  18  -0.024  -3.914   0.564
  120   1HB   CYS  18          HB2       CYS  18   0.949  -3.783  -1.695
  121   2HB   CYS  18          HB3       CYS  18  -0.669  -3.750  -2.404
  122    H    SER  19           H        SER  19  -1.564  -2.931   1.762
  123    HA   SER  19           HA       SER  19  -4.324  -3.466   1.433
  124   1HB   SER  19          HB2       SER  19  -4.555  -2.068   3.312
  125   2HB   SER  19          HB3       SER  19  -3.142  -2.859   3.524
  126    HG   SER  19           HG       SER  19  -3.030  -0.717   4.111
  127    H    GLN  20           H        GLN  20  -6.045  -2.199   0.941
  128    HA   GLN  20           HA       GLN  20  -6.026  -0.304  -1.116
  129   1HB   GLN  20          HB2       GLN  20  -8.230   0.147  -0.421
  130   2HB   GLN  20          HB3       GLN  20  -7.970  -1.451  -0.203
  131   1HG   GLN  20          HG2       GLN  20  -8.230   0.531   1.859
  132   2HG   GLN  20          HG3       GLN  20  -9.242  -0.720   1.579
  133   1HE2  GLN  20          1HE2      GLN  20  -8.234  -3.068   1.869
  134   2HE2  GLN  20          2HE2      GLN  20  -7.110  -3.125   3.231
  135    H    TRP  21           H        TRP  21  -5.544   0.285   2.394
  136    HA   TRP  21           HA       TRP  21  -5.283   3.145   1.924
  137   1HB   TRP  21          HB2       TRP  21  -5.451   1.517   4.191
  138   2HB   TRP  21          HB3       TRP  21  -4.159   2.504   4.353
  139    HD1  TRP  21           HD       TRP  21  -7.780   2.475   4.714
  140    HE1  TRP  21           HE1      TRP  21  -8.755   4.860   4.979
  141    HE3  TRP  21           HE3      TRP  21  -3.576   5.203   3.664
  142    HZ2  TRP  21           HZ2      TRP  21  -7.892   7.547   4.463
  143    HZ3  TRP  21           HZ3      TRP  21  -3.672   7.672   3.578
  144    HH2  TRP  21           HH       TRP  21  -5.824   8.863   3.968
  145    H    GLY  22           H        GLY  22  -2.935   0.473   1.817
  146   1HA   GLY  22          HA1       GLY  22  -1.159   1.025   0.233
  147   2HA   GLY  22          HA2       GLY  22  -0.930   2.584   1.020
  148    H    TRP  23           H        TRP  23  -1.269  -0.580   2.695
  149    HA   TRP  23           HA       TRP  23   1.632  -0.334   3.480
  150   1HB   TRP  23          HB2       TRP  23  -0.702  -0.908   5.189
  151   2HB   TRP  23          HB3       TRP  23   0.854  -0.890   5.684
  152    HD1  TRP  23           HD       TRP  23  -2.035   1.354   5.045
  153    HE1  TRP  23           HE1      TRP  23  -1.535   3.567   6.320
  154    HE3  TRP  23           HE3      TRP  23   2.976   0.904   5.580
  155    HZ2  TRP  23           HZ2      TRP  23   0.735   5.038   7.174
  156    HZ3  TRP  23           HZ3      TRP  23   4.316   2.681   6.769
  157    HH2  TRP  23           HH       TRP  23   3.201   4.777   7.490
  158    H    CYS  24           H        CYS  24   2.540  -2.562   4.366
  159    HA   CYS  24           HA       CYS  24   1.493  -4.493   2.384
  160   1HB   CYS  24          HB2       CYS  24   4.094  -4.395   3.933
  161   2HB   CYS  24          HB3       CYS  24   3.655  -5.619   2.740
  162    H    GLY  25           H        GLY  25   1.015  -6.635   2.834
  163   1HA   GLY  25          HA1       GLY  25   0.759  -7.412   5.721
  164   2HA   GLY  25          HA2       GLY  25  -0.708  -7.119   4.799
  165    H    SER  26           H        SER  26  -1.033  -8.444   2.882
  166    HA   SER  26           HA       SER  26  -1.079 -10.528   1.755
  167   1HB   SER  26          HB2       SER  26   1.130 -11.193   2.659
  168   2HB   SER  26          HB3       SER  26   0.362 -11.845   3.944
  169    HG   SER  26           HG       SER  26  -0.944 -13.001   2.453
  170    H    THR  27           H        THR  27  -2.421  -9.457   4.582
  171    HA   THR  27           HA       THR  27  -4.227 -11.788   4.887
  172    HB   THR  27           HB       THR  27  -4.823 -10.603   7.003
  173    HG1  THR  27           HG1      THR  27  -4.119  -8.664   7.296
  174   1HG2  THR  27          1HG2      THR  27  -1.792 -10.942   6.659
  175   2HG2  THR  27          2HG2      THR  27  -2.711 -10.989   8.172
  176   3HG2  THR  27          3HG2      THR  27  -2.936 -12.270   6.962
  177    H    ASP  28           H        ASP  28  -6.626 -10.330   5.659
  178    HA   ASP  28           HA       ASP  28  -7.389 -10.106   2.785
  179   1HB   ASP  28          HB2       ASP  28  -8.809 -11.378   4.252
  180   2HB   ASP  28          HB3       ASP  28  -9.022 -10.108   5.255
  181    H    GLU  29           H        GLU  29  -7.507  -8.318   5.761
  182    HA   GLU  29           HA       GLU  29  -8.331  -5.738   4.924
  183   1HB   GLU  29          HB2       GLU  29  -6.202  -5.673   6.833
  184   2HB   GLU  29          HB3       GLU  29  -7.735  -5.123   6.959
  185   1HG   GLU  29          HG2       GLU  29  -7.458  -6.628   8.665
  186   2HG   GLU  29          HG3       GLU  29  -8.396  -7.380   7.560
  187    H    TYR  30           H        TYR  30  -5.382  -7.381   4.093
  188    HA   TYR  30           HA       TYR  30  -4.219  -4.845   3.041
  189   1HB   TYR  30          HB2       TYR  30  -2.897  -7.251   4.080
  190   2HB   TYR  30          HB3       TYR  30  -2.114  -6.067   3.273
  191    HD1  TYR  30           HD1      TYR  30  -4.106  -6.711   6.284
  192    HD2  TYR  30           HD2      TYR  30  -1.187  -4.197   4.381
  193    HE1  TYR  30           HE1      TYR  30  -3.786  -5.476   8.411
  194    HE2  TYR  30           HE2      TYR  30  -0.872  -2.955   6.508
  195    HH   TYR  30           HH       TYR  30  -1.615  -2.647   8.602
  196    H    CYS  31           H        CYS  31  -5.610  -7.870   2.057
  197    HA   CYS  31           HA       CYS  31  -4.363  -7.595  -0.642
  198   1HB   CYS  31          HB2       CYS  31  -6.151  -9.707   0.591
  199   2HB   CYS  31          HB3       CYS  31  -5.479  -9.756  -1.028
  200    H    SER  32           H        SER  32  -7.399  -7.067   1.073
  201    HA   SER  32           HA       SER  32  -8.894  -6.676  -1.440
  202   1HB   SER  32          HB2       SER  32  -9.648  -6.706   1.411
  203   2HB   SER  32          HB3       SER  32 -10.699  -6.263   0.242
  204    HG   SER  32           HG       SER  32 -10.015  -8.697   0.966
  205   1HN   NH2  33          HN1       NH2  33  -8.276  -4.851  -2.465
  206   2HN   NH2  33          HN2       NH2  33  -8.322  -3.254  -1.747
  207    H1   NAG  34           H1       NAG  34 -10.240   8.520   9.068
  208    H2   NAG  34           H2       NAG  34  -9.383   7.507   6.346
  209    H3   NAG  34           H3       NAG  34  -8.607   6.545   9.127
  210    H4   NAG  34           H4       NAG  34  -7.055   7.875   6.839
  211    H5   NAG  34           H5       NAG  34  -7.914   8.767   9.626
  212   1H6   NAG  34          1H6       NAG  34  -7.021  11.015   8.800
  213   2H6   NAG  34          2H6       NAG  34  -6.065  10.104   7.619
  214   1H8   NAG  34          1H8       NAG  34 -12.350   3.969   5.849
  215   2H8   NAG  34          2H8       NAG  34 -12.122   4.055   7.613
  216   3H8   NAG  34          3H8       NAG  34 -13.143   5.269   6.772
  217    HN2  NAG  34           H2N      NAG  34 -11.445   6.408   8.198
  218    HO1  NAG  34           HO1      NAG  34 -11.171  10.151   7.720
  219    HO3  NAG  34           HO3      NAG  34  -7.482   5.040   8.000
  220    HO6  NAG  34           HO6      NAG  34  -4.847   9.349   9.228
  221    H1   NAG  35           H1       NAG  35  -5.712   5.961   6.803
  222    H2   NAG  35           H2       NAG  35  -3.543   6.363   8.871
  223    H3   NAG  35           H3       NAG  35  -3.574   4.537   6.432
  224    H4   NAG  35           H4       NAG  35  -3.538   3.906   9.418
  225    H5   NAG  35           H5       NAG  35  -5.583   3.478   7.181
  226   1H6   NAG  35          1H6       NAG  35  -5.662   1.603   8.775
  227   2H6   NAG  35          2H6       NAG  35  -7.061   2.665   8.993
  228   1H8   NAG  35          1H8       NAG  35  -1.477   8.719   5.916
  229   2H8   NAG  35          2H8       NAG  35  -3.036   9.366   5.320
  230   3H8   NAG  35          3H8       NAG  35  -2.163  10.205   6.632
  231    HN2  NAG  35           H2N      NAG  35  -2.830   6.851   6.064
  232    HO3  NAG  35           HO3      NAG  35  -1.648   5.547   6.843
  233    HO6  NAG  35           HO6      NAG  35  -5.880   3.665  10.710
  234    H1   NAG  36           H1       NAG  36  -3.077   1.501   9.847
  235    H2   NAG  36           H2       NAG  36  -1.587   0.641   7.373
  236    H3   NAG  36           H3       NAG  36  -1.288  -0.543  10.130
  237    H4   NAG  36           H4       NAG  36   0.546   1.132   8.336
  238    H5   NAG  36           H5       NAG  36  -0.858   1.659  10.994
  239   1H6   NAG  36          1H6       NAG  36   0.151   3.985  10.655
  240   2H6   NAG  36          2H6       NAG  36   1.267   3.246   9.497
  241   1H8   NAG  36          1H8       NAG  36  -5.156  -2.052   5.956
  242   2H8   NAG  36          2H8       NAG  36  -4.705  -2.654   7.566
  243   3H8   NAG  36          3H8       NAG  36  -5.734  -1.200   7.405
  244    HN2  NAG  36           H2N      NAG  36  -3.619  -1.000   8.904
  245    HO4  NAG  36           HO4      NAG  36   1.714  -0.539   9.562
  246    HO3  NAG  36           HO3      NAG  36   0.517  -1.440   8.737
  247    HO6  NAG  36           HO6      NAG  36   1.030   2.836  12.283
  Start of MODEL    2
    1   1H    GLU   1           H1       GLU   1   1.438   3.008   1.651
    2   2H    GLU   1           H2       GLU   1   1.876   3.891   0.347
    3   3H    GLU   1           H3       GLU   1   0.841   4.518   1.491
    4    HA   GLU   1           HA       GLU   1   3.047   5.462   1.763
    5   1HB   GLU   1          HB2       GLU   1   2.061   3.719   3.934
    6   2HB   GLU   1          HB3       GLU   1   3.252   4.818   4.132
    7   1HG   GLU   1          HG2       GLU   1   1.498   6.017   4.826
    8   2HG   GLU   1          HG3       GLU   1   1.518   6.434   3.247
    9    H    GLN   2           H        GLN   2   3.136   1.998   2.869
   10    HA   GLN   2           HA       GLN   2   5.977   1.741   2.090
   11   1HB   GLN   2          HB2       GLN   2   3.867  -0.243   2.766
   12   2HB   GLN   2          HB3       GLN   2   5.417  -0.639   2.437
   13   1HG   GLN   2          HG2       GLN   2   6.173   0.460   4.340
   14   2HG   GLN   2          HG3       GLN   2   4.697   1.103   4.612
   15   1HE2  GLN   2          1HE2      GLN   2   6.389  -0.523   6.423
   16   2HE2  GLN   2          2HE2      GLN   2   5.327  -1.831   6.884
   17    H    CYS   3           H        CYS   3   2.753   1.139   0.832
   18    HA   CYS   3           HA       CYS   3   3.785   0.778  -1.927
   19   1HB   CYS   3          HB2       CYS   3   2.582  -1.320  -2.113
   20   2HB   CYS   3          HB3       CYS   3   3.583  -1.391  -0.682
   21    H    GLY   4           H        GLY   4   1.450   0.343  -3.218
   22   1HA   GLY   4          HA1       GLY   4  -0.706   0.961  -3.715
   23   2HA   GLY   4          HA2       GLY   4  -0.903   1.166  -1.984
   24    H    ARG   5           H        ARG   5  -2.083   3.014  -1.683
   25    HA   ARG   5           HA       ARG   5  -2.323   4.849  -3.908
   26   1HB   ARG   5          HB2       ARG   5  -3.564   5.029  -1.236
   27   2HB   ARG   5          HB3       ARG   5  -4.105   5.699  -2.624
   28   1HG   ARG   5          HG2       ARG   5  -4.688   3.528  -3.418
   29   2HG   ARG   5          HG3       ARG   5  -4.201   2.894  -1.993
   30   1HD   ARG   5          HD2       ARG   5  -6.545   4.450  -2.519
   31   2HD   ARG   5          HD3       ARG   5  -6.434   3.059  -1.671
   32    HE   ARG   5           HE       ARG   5  -5.266   5.421  -0.458
   33   1HH1  ARG   5          2HH2      ARG   5  -7.927   3.135  -0.116
   34   2HH1  ARG   5          1HH2      ARG   5  -8.621   4.104   1.141
   35   1HH2  ARG   5          2HH1      ARG   5  -6.218   6.562   1.005
   36   2HH2  ARG   5          1HH1      ARG   5  -7.672   6.003   1.763
   37    H    GLN   6           H        GLN   6  -1.619   5.465  -0.451
   38    HA   GLN   6           HA       GLN   6  -0.669   8.183  -1.046
   39   1HB   GLN   6          HB2       GLN   6  -0.560   6.830   1.560
   40   2HB   GLN   6          HB3       GLN   6  -0.424   8.430   1.261
   41   1HG   GLN   6          HG2       GLN   6  -2.477   8.083   2.247
   42   2HG   GLN   6          HG3       GLN   6  -2.750   8.469   0.683
   43   1HE2  GLN   6          1HE2      GLN   6  -1.792   5.242   1.954
   44   2HE2  GLN   6          2HE2      GLN   6  -3.154   4.508   1.131
   45    H    ALA   7           H        ALA   7   0.731   7.284  -2.482
   46    HA   ALA   7           HA       ALA   7   3.511   7.192  -2.070
   47   1HB   ALA   7          HB1       ALA   7   3.274   5.126  -0.788
   48   2HB   ALA   7          HB2       ALA   7   2.234   4.429  -2.061
   49   3HB   ALA   7          HB3       ALA   7   3.957   4.722  -2.355
   50    H    GLY   8           H        GLY   8   0.697   6.339  -4.068
   51   1HA   GLY   8          HA1       GLY   8   0.452   6.849  -6.303
   52   2HA   GLY   8          HA2       GLY   8   2.127   7.408  -6.350
   53    H    GLY   9           H        GLY   9   0.836   4.195  -5.464
   54   1HA   GLY   9          HA1       GLY   9   0.883   2.188  -6.676
   55   2HA   GLY   9          HA2       GLY   9   1.540   3.056  -8.069
   56    H    LYS  10           H        LYS  10   2.368   1.589  -4.955
   57    HA   LYS  10           HA       LYS  10   4.838   0.567  -6.178
   58   1HB   LYS  10          HB2       LYS  10   4.836   1.998  -3.586
   59   2HB   LYS  10          HB3       LYS  10   5.995   0.918  -3.983
   60   1HG   LYS  10          HG2       LYS  10   7.029   2.727  -4.741
   61   2HG   LYS  10          HG3       LYS  10   6.130   2.429  -6.072
   62   1HD   LYS  10          HD2       LYS  10   4.452   3.960  -5.069
   63   2HD   LYS  10          HD3       LYS  10   5.651   4.432  -4.066
   64   1HE   LYS  10          HE2       LYS  10   5.770   5.958  -5.756
   65   2HE   LYS  10          HE3       LYS  10   6.950   4.895  -6.137
   66   1HZ   LYS  10          HZ1       LYS  10   5.832   5.202  -8.111
   67   2HZ   LYS  10          HZ2       LYS  10   5.195   3.780  -7.531
   68   3HZ   LYS  10          HZ3       LYS  10   4.375   5.155  -7.364
   69    H    LEU  11           H        LEU  11   5.693  -1.236  -4.750
   70    HA   LEU  11           HA       LEU  11   3.372  -3.000  -4.067
   71   1HB   LEU  11          HB2       LEU  11   5.935  -3.685  -5.384
   72   2HB   LEU  11          HB3       LEU  11   4.686  -4.704  -5.118
   73    HG   LEU  11           HG       LEU  11   4.636  -2.383  -6.981
   74   1HD1  LEU  11          1HD1      LEU  11   6.002  -4.280  -7.777
   75   2HD1  LEU  11          2HD1      LEU  11   4.626  -5.377  -7.529
   76   3HD1  LEU  11          3HD1      LEU  11   4.529  -4.081  -8.740
   77   1HD2  LEU  11          1HD2      LEU  11   2.462  -3.339  -7.730
   78   2HD2  LEU  11          2HD2      LEU  11   2.527  -4.513  -6.400
   79   3HD2  LEU  11          3HD2      LEU  11   2.383  -2.772  -6.060
   80    H    CYS  12           H        CYS  12   4.549  -5.180  -3.092
   81    HA   CYS  12           HA       CYS  12   5.821  -4.206  -0.585
   82   1HB   CYS  12          HB2       CYS  12   3.478  -6.013  -1.185
   83   2HB   CYS  12          HB3       CYS  12   4.341  -6.183   0.329
   84    HA   PRO  13           HA       PRO  13   8.815  -7.243  -1.014
   85   1HB   PRO  13          HB2       PRO  13   9.758  -7.402   1.438
   86   2HB   PRO  13          HB3       PRO  13   9.688  -5.941   0.714
   87   1HG   PRO  13          HG2       PRO  13   7.790  -7.024   2.627
   88   2HG   PRO  13          HG3       PRO  13   8.463  -5.536   2.655
   89   1HD   PRO  13          HD2       PRO  13   6.090  -5.919   1.589
   90   2HD   PRO  13          HD3       PRO  13   7.083  -4.750   1.028
   91    H    ASN  14           H        ASN  14   9.894  -9.171  -0.114
   92    HA   ASN  14           HA       ASN  14  10.118 -11.350   0.327
   93   1HB   ASN  14          HB2       ASN  14   7.866 -11.075   2.212
   94   2HB   ASN  14          HB3       ASN  14   9.172 -12.047   2.339
   95   1HD2  ASN  14          1HD2      ASN  14   7.876  -9.547   3.837
   96   2HD2  ASN  14          2HD2      ASN  14   9.319  -8.587   4.143
   97    H    ASN  15           H        ASN  15   6.659 -10.998   0.561
   98    HA   ASN  15           HA       ASN  15   5.928 -12.353  -1.842
   99   1HB   ASN  15          HB2       ASN  15   6.538 -14.076   0.285
  100   2HB   ASN  15          HB3       ASN  15   4.920 -14.152   0.076
  101   1HD2  ASN  15          1HD2      ASN  15   7.802 -14.030  -1.956
  102   2HD2  ASN  15          2HD2      ASN  15   7.223 -15.327  -3.027
  103    H    LEU  16           H        LEU  16   5.184  -9.952   0.129
  104    HA   LEU  16           HA       LEU  16   2.471 -10.810   0.902
  105   1HB   LEU  16          HB2       LEU  16   4.053  -8.378   1.487
  106   2HB   LEU  16          HB3       LEU  16   2.584  -8.713   2.117
  107    HG   LEU  16           HG       LEU  16   5.042 -10.304   2.638
  108   1HD1  LEU  16          1HD1      LEU  16   4.921  -9.323   4.888
  109   2HD1  LEU  16          2HD1      LEU  16   5.103  -8.059   3.660
  110   3HD1  LEU  16          3HD1      LEU  16   3.514  -8.352   4.402
  111   1HD2  LEU  16          1HD2      LEU  16   2.233 -10.471   3.849
  112   2HD2  LEU  16          2HD2      LEU  16   3.031 -11.699   2.829
  113   3HD2  LEU  16          3HD2      LEU  16   3.657 -11.341   4.440
  114    H    CYS  17           H        CYS  17   0.735  -9.360   0.697
  115    HA   CYS  17           HA       CYS  17   0.440  -8.025  -1.903
  116   1HB   CYS  17          HB2       CYS  17  -1.580  -8.255   0.315
  117   2HB   CYS  17          HB3       CYS  17  -1.854  -8.004  -1.403
  118    H    CYS  18           H        CYS  18  -1.255  -6.111  -1.216
  119    HA   CYS  18           HA       CYS  18   0.167  -4.102   0.396
  120   1HB   CYS  18          HB2       CYS  18   1.065  -3.824  -1.885
  121   2HB   CYS  18          HB3       CYS  18  -0.571  -3.886  -2.555
  122    H    SER  19           H        SER  19  -1.290  -2.810   1.398
  123    HA   SER  19           HA       SER  19  -3.939  -3.801   1.482
  124   1HB   SER  19          HB2       SER  19  -4.126  -2.332   3.324
  125   2HB   SER  19          HB3       SER  19  -2.568  -2.822   3.342
  126    HG   SER  19           HG       SER  19  -2.947  -0.616   3.736
  127    H    GLN  20           H        GLN  20  -5.843  -2.485   1.829
  128    HA   GLN  20           HA       GLN  20  -6.546  -1.053  -0.577
  129   1HB   GLN  20          HB2       GLN  20  -7.968  -1.157   2.016
  130   2HB   GLN  20          HB3       GLN  20  -8.614  -0.685   0.591
  131   1HG   GLN  20          HG2       GLN  20  -8.133  -2.889  -0.291
  132   2HG   GLN  20          HG3       GLN  20  -7.653  -3.340   1.204
  133   1HE2  GLN  20          1HE2      GLN  20  -9.472  -2.698   3.024
  134   2HE2  GLN  20          2HE2      GLN  20 -11.035  -3.348   2.484
  135    H    TRP  21           H        TRP  21  -4.533   0.002   1.849
  136    HA   TRP  21           HA       TRP  21  -5.015   2.842   1.063
  137   1HB   TRP  21          HB2       TRP  21  -4.407   1.682   3.618
  138   2HB   TRP  21          HB3       TRP  21  -3.393   2.897   3.213
  139    HD1  TRP  21           HD       TRP  21  -7.135   2.391   3.016
  140    HE1  TRP  21           HE1      TRP  21  -8.329   4.509   3.791
  141    HE3  TRP  21           HE3      TRP  21  -3.070   5.166   4.350
  142    HZ2  TRP  21           HZ2      TRP  21  -7.569   7.266   4.442
  143    HZ3  TRP  21           HZ3      TRP  21  -3.321   7.520   5.082
  144    HH2  TRP  21           HH       TRP  21  -5.564   8.596   5.077
  145    H    GLY  22           H        GLY  22  -2.417   0.568   1.999
  146   1HA   GLY  22          HA1       GLY  22  -0.456   1.307   0.126
  147   2HA   GLY  22          HA2       GLY  22  -0.516   2.610   1.313
  148    H    TRP  23           H        TRP  23  -1.043  -0.684   2.523
  149    HA   TRP  23           HA       TRP  23   1.708  -0.588   3.698
  150   1HB   TRP  23          HB2       TRP  23  -0.889  -1.066   5.026
  151   2HB   TRP  23          HB3       TRP  23   0.572  -1.181   5.747
  152    HD1  TRP  23           HD       TRP  23  -1.911   1.385   4.553
  153    HE1  TRP  23           HE1      TRP  23  -1.186   3.734   5.449
  154    HE3  TRP  23           HE3      TRP  23   2.748   0.324   6.133
  155    HZ2  TRP  23           HZ2      TRP  23   0.902   4.856   6.938
  156    HZ3  TRP  23           HZ3      TRP  23   4.185   2.072   7.246
  157    HH2  TRP  23           HH       TRP  23   3.247   4.343   7.657
  158    H    CYS  24           H        CYS  24   2.576  -2.676   4.266
  159    HA   CYS  24           HA       CYS  24   1.599  -4.608   2.290
  160   1HB   CYS  24          HB2       CYS  24   4.061  -4.543   4.066
  161   2HB   CYS  24          HB3       CYS  24   3.756  -5.740   2.793
  162    H    GLY  25           H        GLY  25   1.031  -6.758   2.525
  163   1HA   GLY  25          HA1       GLY  25   1.143  -8.228   4.958
  164   2HA   GLY  25          HA2       GLY  25  -0.421  -7.405   4.887
  165    H    SER  26           H        SER  26  -0.723  -9.993   5.016
  166    HA   SER  26           HA       SER  26  -1.170 -10.968   2.202
  167   1HB   SER  26          HB2       SER  26   0.640 -12.138   3.315
  168   2HB   SER  26          HB3       SER  26  -0.350 -12.587   4.535
  169    HG   SER  26           HG       SER  26  -1.675 -13.599   2.971
  170    H    THR  27           H        THR  27  -3.049  -9.535   4.055
  171    HA   THR  27           HA       THR  27  -5.119 -11.633   4.485
  172    HB   THR  27           HB       THR  27  -5.511 -10.775   6.719
  173    HG1  THR  27           HG1      THR  27  -4.066  -9.164   7.518
  174   1HG2  THR  27          1HG2      THR  27  -2.469 -11.078   6.442
  175   2HG2  THR  27          2HG2      THR  27  -3.467 -11.408   7.867
  176   3HG2  THR  27          3HG2      THR  27  -3.606 -12.444   6.434
  177    H    ASP  28           H        ASP  28  -7.284 -10.517   5.005
  178    HA   ASP  28           HA       ASP  28  -8.248  -9.441   2.779
  179   1HB   ASP  28          HB2       ASP  28  -9.601 -10.124   4.620
  180   2HB   ASP  28          HB3       ASP  28  -9.197  -8.815   5.510
  181    H    GLU  29           H        GLU  29  -8.062  -7.033   5.411
  182    HA   GLU  29           HA       GLU  29  -8.192  -4.719   3.856
  183   1HB   GLU  29          HB2       GLU  29  -7.377  -5.414   6.506
  184   2HB   GLU  29          HB3       GLU  29  -6.507  -4.146   5.956
  185   1HG   GLU  29          HG2       GLU  29  -9.377  -4.128   5.852
  186   2HG   GLU  29          HG3       GLU  29  -8.577  -3.592   7.171
  187    H    TYR  30           H        TYR  30  -5.479  -6.879   4.071
  188    HA   TYR  30           HA       TYR  30  -3.555  -4.862   3.092
  189   1HB   TYR  30          HB2       TYR  30  -3.166  -7.458   4.352
  190   2HB   TYR  30          HB3       TYR  30  -1.961  -6.567   3.702
  191    HD1  TYR  30           HD1      TYR  30  -1.140  -4.505   4.686
  192    HD2  TYR  30           HD2      TYR  30  -4.403  -6.743   6.378
  193    HE1  TYR  30           HE1      TYR  30  -1.141  -3.011   6.657
  194    HE2  TYR  30           HE2      TYR  30  -4.392  -5.233   8.375
  195    HH   TYR  30           HH       TYR  30  -2.252  -2.417   8.483
  196    H    CYS  31           H        CYS  31  -5.606  -7.296   1.838
  197    HA   CYS  31           HA       CYS  31  -3.862  -7.458  -0.602
  198   1HB   CYS  31          HB2       CYS  31  -3.635  -9.408   1.077
  199   2HB   CYS  31          HB3       CYS  31  -5.265  -9.862   0.589
  200    H    SER  32           H        SER  32  -7.189  -7.481   0.648
  201    HA   SER  32           HA       SER  32  -8.436  -8.243  -1.811
  202   1HB   SER  32          HB2       SER  32  -9.481  -6.789   0.547
  203   2HB   SER  32          HB3       SER  32 -10.407  -7.414  -0.644
  204    HG   SER  32           HG       SER  32 -10.068  -8.720   1.297
  205   1HN   NH2  33          HN1       NH2  33  -6.958  -5.302  -0.778
  206   2HN   NH2  33          HN2       NH2  33  -7.512  -4.319  -2.115
  207    H1   NAG  34           H1       NAG  34 -12.659   5.756   6.171
  208    H2   NAG  34           H2       NAG  34 -10.251   6.310   4.411
  209    H3   NAG  34           H3       NAG  34 -10.754   4.332   6.685
  210    H4   NAG  34           H4       NAG  34  -8.798   6.646   6.224
  211    H5   NAG  34           H5       NAG  34 -11.123   6.248   8.131
  212   1H6   NAG  34          1H6       NAG  34  -9.416   7.692   9.142
  213   2H6   NAG  34          2H6       NAG  34 -10.847   8.617   8.681
  214   1H8   NAG  34          1H8       NAG  34 -10.931   3.019   1.121
  215   2H8   NAG  34          2H8       NAG  34 -11.651   2.311   2.586
  216   3H8   NAG  34          3H8       NAG  34 -12.488   3.638   1.718
  217    HN2  NAG  34           H2N      NAG  34 -12.335   4.211   4.093
  218    HO1  NAG  34           HO1      NAG  34 -12.067   7.679   4.110
  219    HO3  NAG  34           HO3      NAG  34  -8.715   3.614   6.145
  220    HO6  NAG  34           HO6      NAG  34  -8.320   8.535   7.391
  221    H1   NAG  35           H1       NAG  35  -6.888   5.475   6.711
  222    H2   NAG  35           H2       NAG  35  -6.649   4.585   9.590
  223    H3   NAG  35           H3       NAG  35  -4.575   4.886   7.365
  224    H4   NAG  35           H4       NAG  35  -5.653   2.480   8.950
  225    H5   NAG  35           H5       NAG  35  -5.868   3.430   6.084
  226   1H6   NAG  35          1H6       NAG  35  -5.796   1.093   5.891
  227   2H6   NAG  35          2H6       NAG  35  -7.494   1.546   5.804
  228   1H8   NAG  35          1H8       NAG  35  -5.796   9.730   8.615
  229   2H8   NAG  35          2H8       NAG  35  -5.924   8.960  10.215
  230   3H8   NAG  35          3H8       NAG  35  -4.442   8.747   9.228
  231    HN2  NAG  35           H2N      NAG  35  -5.305   6.582   9.971
  232    HO3  NAG  35           HO3      NAG  35  -3.271   3.972   9.010
  233    HO6  NAG  35           HO6      NAG  35  -7.346  -0.194   7.103
  234    H1   NAG  36           H1       NAG  36  -3.825   1.280   9.464
  235    H2   NAG  36           H2       NAG  36  -2.009   0.825   7.096
  236    H3   NAG  36           H3       NAG  36  -2.010  -0.482   9.836
  237    H4   NAG  36           H4       NAG  36  -0.034   1.321   8.340
  238    H5   NAG  36           H5       NAG  36  -1.740   1.661  10.835
  239   1H6   NAG  36          1H6       NAG  36   0.084   3.674   9.443
  240   2H6   NAG  36          2H6       NAG  36   0.489   2.832  10.950
  241   1H8   NAG  36          1H8       NAG  36  -4.427  -2.827   5.832
  242   2H8   NAG  36          2H8       NAG  36  -5.551  -2.022   6.974
  243   3H8   NAG  36          3H8       NAG  36  -5.567  -1.592   5.259
  244    HN2  NAG  36           H2N      NAG  36  -3.997  -1.181   8.250
  245    HO4  NAG  36           HO4      NAG  36   1.088  -0.340   9.594
  246    HO3  NAG  36           HO3      NAG  36  -0.252  -1.560   8.915
  247    HO6  NAG  36           HO6      NAG  36  -1.784   4.493  10.572
  Start of MODEL    3
    1   1H    GLU   1           H1       GLU   1   2.784   6.033   3.788
    2   2H    GLU   1           H2       GLU   1   2.701   5.056   5.105
    3   3H    GLU   1           H3       GLU   1   1.345   5.871   4.612
    4    HA   GLU   1           HA       GLU   1   1.254   3.532   4.012
    5   1HB   GLU   1          HB2       GLU   1   1.223   5.629   1.979
    6   2HB   GLU   1          HB3       GLU   1   1.104   4.076   1.486
    7   1HG   GLU   1          HG2       GLU   1  -1.061   4.738   1.766
    8   2HG   GLU   1          HG3       GLU   1  -0.735   3.855   3.100
    9    H    GLN   2           H        GLN   2   2.014   1.969   2.371
   10    HA   GLN   2           HA       GLN   2   4.994   2.041   2.087
   11   1HB   GLN   2          HB2       GLN   2   4.118   0.562   3.811
   12   2HB   GLN   2          HB3       GLN   2   3.193  -0.222   2.717
   13   1HG   GLN   2          HG2       GLN   2   5.176  -0.973   1.614
   14   2HG   GLN   2          HG3       GLN   2   6.075  -0.234   2.760
   15   1HE2  GLN   2          1HE2      GLN   2   6.985  -2.513   2.932
   16   2HE2  GLN   2          2HE2      GLN   2   6.165  -3.591   4.046
   17    H    CYS   3           H        CYS   3   1.902   1.055   0.597
   18    HA   CYS   3           HA       CYS   3   3.361   0.458  -1.938
   19   1HB   CYS   3          HB2       CYS   3   1.990  -1.645  -2.089
   20   2HB   CYS   3          HB3       CYS   3   3.206  -1.616  -0.819
   21    H    GLY   4           H        GLY   4   2.102   0.380  -3.797
   22   1HA   GLY   4          HA1       GLY   4   0.699   1.379  -5.310
   23   2HA   GLY   4          HA2       GLY   4  -0.581   0.827  -4.230
   24    H    ARG   5           H        ARG   5  -1.575   2.321  -2.825
   25    HA   ARG   5           HA       ARG   5  -1.657   4.971  -4.080
   26   1HB   ARG   5          HB2       ARG   5  -3.731   5.110  -2.831
   27   2HB   ARG   5          HB3       ARG   5  -3.678   3.769  -3.762
   28   1HG   ARG   5          HG2       ARG   5  -3.380   2.403  -1.916
   29   2HG   ARG   5          HG3       ARG   5  -3.113   3.685  -0.940
   30   1HD   ARG   5          HD2       ARG   5  -5.661   3.091  -2.160
   31   2HD   ARG   5          HD3       ARG   5  -5.300   2.779  -0.598
   32    HE   ARG   5           HE       ARG   5  -4.936   5.508  -1.308
   33   1HH1  ARG   5          2HH2      ARG   5  -7.357   3.373   0.131
   34   2HH1  ARG   5          1HH2      ARG   5  -8.062   4.705   0.984
   35   1HH2  ARG   5          2HH1      ARG   5  -5.824   7.045  -0.215
   36   2HH2  ARG   5          1HH1      ARG   5  -7.204   6.757   0.791
   37    H    GLN   6           H        GLN   6  -1.587   6.901  -3.003
   38    HA   GLN   6           HA       GLN   6  -0.449   8.500  -1.940
   39   1HB   GLN   6          HB2       GLN   6  -0.742   6.812   0.450
   40   2HB   GLN   6          HB3       GLN   6  -0.208   8.355   0.460
   41   1HG   GLN   6          HG2       GLN   6  -2.386   8.652   0.960
   42   2HG   GLN   6          HG3       GLN   6  -2.412   8.854  -0.661
   43   1HE2  GLN   6          1HE2      GLN   6  -2.581   6.275   1.686
   44   2HE2  GLN   6          2HE2      GLN   6  -3.643   5.210   0.819
   45    H    ALA   7           H        ALA   7   1.007   5.314  -1.110
   46    HA   ALA   7           HA       ALA   7   3.688   6.324  -0.912
   47   1HB   ALA   7          HB1       ALA   7   4.315   3.936  -1.200
   48   2HB   ALA   7          HB2       ALA   7   2.998   4.129  -0.032
   49   3HB   ALA   7          HB3       ALA   7   2.644   3.559  -1.677
   50    H    GLY   8           H        GLY   8   1.731   5.300  -3.709
   51   1HA   GLY   8          HA1       GLY   8   1.947   6.323  -5.824
   52   2HA   GLY   8          HA2       GLY   8   3.574   6.869  -5.418
   53    H    GLY   9           H        GLY   9   1.753   3.861  -5.881
   54   1HA   GLY   9          HA1       GLY   9   2.014   2.221  -7.508
   55   2HA   GLY   9          HA2       GLY   9   3.316   3.175  -8.209
   56    H    LYS  10           H        LYS  10   4.280   2.606  -5.042
   57    HA   LYS  10           HA       LYS  10   6.185   0.566  -5.883
   58   1HB   LYS  10          HB2       LYS  10   5.635   1.955  -3.381
   59   2HB   LYS  10          HB3       LYS  10   6.337   0.487  -3.240
   60   1HG   LYS  10          HG2       LYS  10   8.036   2.079  -3.316
   61   2HG   LYS  10          HG3       LYS  10   8.086   1.230  -4.710
   62   1HD   LYS  10          HD2       LYS  10   8.403   3.475  -5.248
   63   2HD   LYS  10          HD3       LYS  10   6.920   3.054  -5.789
   64   1HE   LYS  10          HE2       LYS  10   5.961   3.984  -3.793
   65   2HE   LYS  10          HE3       LYS  10   7.449   4.467  -3.326
   66   1HZ   LYS  10          HZ1       LYS  10   7.569   5.970  -5.113
   67   2HZ   LYS  10          HZ2       LYS  10   6.136   5.374  -5.707
   68   3HZ   LYS  10          HZ3       LYS  10   6.131   6.191  -4.297
   69    H    LEU  11           H        LEU  11   6.228  -1.572  -5.551
   70    HA   LEU  11           HA       LEU  11   3.723  -2.937  -4.732
   71   1HB   LEU  11          HB2       LEU  11   6.265  -4.054  -5.770
   72   2HB   LEU  11          HB3       LEU  11   4.874  -4.880  -5.549
   73    HG   LEU  11           HG       LEU  11   5.315  -2.738  -7.563
   74   1HD1  LEU  11          1HD1      LEU  11   6.372  -4.909  -8.099
   75   2HD1  LEU  11          2HD1      LEU  11   4.806  -5.723  -7.887
   76   3HD1  LEU  11          3HD1      LEU  11   5.028  -4.541  -9.194
   77   1HD2  LEU  11          1HD2      LEU  11   2.827  -4.406  -6.970
   78   2HD2  LEU  11          2HD2      LEU  11   2.985  -2.636  -6.818
   79   3HD2  LEU  11          3HD2      LEU  11   3.058  -3.393  -8.410
   80    H    CYS  12           H        CYS  12   4.327  -5.075  -3.380
   81    HA   CYS  12           HA       CYS  12   5.450  -3.996  -0.875
   82   1HB   CYS  12          HB2       CYS  12   3.768  -6.371  -1.673
   83   2HB   CYS  12          HB3       CYS  12   4.462  -6.255  -0.057
   84    HA   PRO  13           HA       PRO  13   9.050  -6.626  -1.069
   85   1HB   PRO  13          HB2       PRO  13   9.695  -6.714   1.495
   86   2HB   PRO  13          HB3       PRO  13   9.809  -5.296   0.692
   87   1HG   PRO  13          HG2       PRO  13   7.657  -6.139   2.445
   88   2HG   PRO  13          HG3       PRO  13   8.392  -4.680   2.424
   89   1HD   PRO  13          HD2       PRO  13   6.116  -5.080   1.154
   90   2HD   PRO  13          HD3       PRO  13   7.194  -3.970   0.632
   91    H    ASN  14           H        ASN  14   9.834  -8.667   0.083
   92    HA   ASN  14           HA       ASN  14   9.613 -10.886   0.533
   93   1HB   ASN  14          HB2       ASN  14   7.439  -9.957   2.299
   94   2HB   ASN  14          HB3       ASN  14   8.391 -11.266   2.518
   95   1HD2  ASN  14          1HD2      ASN  14  10.857 -10.842   2.748
   96   2HD2  ASN  14          2HD2      ASN  14  11.227  -9.302   3.542
   97    H    ASN  15           H        ASN  15   7.254  -9.644  -1.350
   98    HA   ASN  15           HA       ASN  15   5.994 -10.622  -2.984
   99   1HB   ASN  15          HB2       ASN  15   5.971 -13.176  -1.520
  100   2HB   ASN  15          HB3       ASN  15   5.438 -12.905  -3.040
  101   1HD2  ASN  15          1HD2      ASN  15   8.147 -13.423  -1.054
  102   2HD2  ASN  15          2HD2      ASN  15   9.288 -13.712  -2.403
  103    H    LEU  16           H        LEU  16   5.206  -9.357  -0.201
  104    HA   LEU  16           HA       LEU  16   2.681 -10.698   0.287
  105   1HB   LEU  16          HB2       LEU  16   3.783  -8.180   1.356
  106   2HB   LEU  16          HB3       LEU  16   2.416  -8.891   1.897
  107    HG   LEU  16           HG       LEU  16   5.160  -9.979   2.131
  108   1HD1  LEU  16          1HD1      LEU  16   4.534  -8.131   3.695
  109   2HD1  LEU  16          2HD1      LEU  16   3.141  -9.100   4.239
  110   3HD1  LEU  16          3HD1      LEU  16   4.798  -9.666   4.536
  111   1HD2  LEU  16          1HD2      LEU  16   2.511 -11.184   3.040
  112   2HD2  LEU  16          2HD2      LEU  16   3.644 -11.877   1.841
  113   3HD2  LEU  16          3HD2      LEU  16   4.111 -11.756   3.539
  114    H    CYS  17           H        CYS  17   0.672  -9.535   0.516
  115    HA   CYS  17           HA       CYS  17  -0.049  -7.876  -1.840
  116   1HB   CYS  17          HB2       CYS  17  -1.340  -9.903  -0.629
  117   2HB   CYS  17          HB3       CYS  17  -1.962  -8.584   0.333
  118    H    CYS  18           H        CYS  18  -1.958  -6.252  -0.901
  119    HA   CYS  18           HA       CYS  18  -0.601  -4.278   0.844
  120   1HB   CYS  18          HB2       CYS  18   0.061  -3.957  -1.565
  121   2HB   CYS  18          HB3       CYS  18  -1.644  -3.760  -1.959
  122    H    SER  19           H        SER  19  -2.072  -2.731   1.762
  123    HA   SER  19           HA       SER  19  -4.833  -3.666   1.943
  124   1HB   SER  19          HB2       SER  19  -4.986  -2.159   3.697
  125   2HB   SER  19          HB3       SER  19  -3.463  -2.740   3.809
  126    HG   SER  19           HG       SER  19  -3.651  -0.526   4.187
  127    H    GLN  20           H        GLN  20  -6.695  -2.612   1.377
  128    HA   GLN  20           HA       GLN  20  -7.022  -0.746  -0.626
  129   1HB   GLN  20          HB2       GLN  20  -9.143  -0.372   0.283
  130   2HB   GLN  20          HB3       GLN  20  -8.787  -1.938   0.583
  131   1HG   GLN  20          HG2       GLN  20  -8.944   0.197   2.494
  132   2HG   GLN  20          HG3       GLN  20  -9.832  -1.174   2.473
  133   1HE2  GLN  20          1HE2      GLN  20  -8.273  -3.337   2.583
  134   2HE2  GLN  20          2HE2      GLN  20  -7.147  -3.156   3.917
  135    H    TRP  21           H        TRP  21  -5.670   0.072   2.544
  136    HA   TRP  21           HA       TRP  21  -5.869   2.923   1.721
  137   1HB   TRP  21          HB2       TRP  21  -5.950   1.753   4.235
  138   2HB   TRP  21          HB3       TRP  21  -4.680   2.778   4.180
  139    HD1  TRP  21           HD       TRP  21  -8.344   2.754   4.463
  140    HE1  TRP  21           HE1      TRP  21  -9.312   5.191   4.312
  141    HE3  TRP  21           HE3      TRP  21  -4.105   5.303   3.205
  142    HZ2  TRP  21           HZ2      TRP  21  -8.459   7.700   3.285
  143    HZ3  TRP  21           HZ3      TRP  21  -4.189   7.730   2.722
  144    HH2  TRP  21           HH       TRP  21  -6.330   8.930   2.659
  145    H    GLY  22           H        GLY  22  -3.431   0.402   1.788
  146   1HA   GLY  22          HA1       GLY  22  -1.630   1.286   0.119
  147   2HA   GLY  22          HA2       GLY  22  -1.378   2.557   1.288
  148    H    TRP  23           H        TRP  23  -1.891  -0.645   2.685
  149    HA   TRP  23           HA       TRP  23   1.033  -0.525   3.423
  150   1HB   TRP  23          HB2       TRP  23  -1.408  -0.940   5.013
  151   2HB   TRP  23          HB3       TRP  23   0.101  -1.145   5.603
  152    HD1  TRP  23           HD       TRP  23  -2.389   1.545   4.822
  153    HE1  TRP  23           HE1      TRP  23  -1.547   3.707   6.021
  154    HE3  TRP  23           HE3      TRP  23   2.425   0.223   5.668
  155    HZ2  TRP  23           HZ2      TRP  23   0.871   4.745   7.031
  156    HZ3  TRP  23           HZ3      TRP  23   4.036   1.814   6.761
  157    HH2  TRP  23           HH       TRP  23   3.260   4.066   7.465
  158    H    CYS  24           H        CYS  24   2.214  -2.568   3.740
  159    HA   CYS  24           HA       CYS  24   0.957  -4.595   2.103
  160   1HB   CYS  24          HB2       CYS  24   3.632  -4.528   3.493
  161   2HB   CYS  24          HB3       CYS  24   3.122  -5.770   2.346
  162    H    GLY  25           H        GLY  25   0.822  -6.896   2.562
  163   1HA   GLY  25          HA1       GLY  25   1.198  -7.959   5.181
  164   2HA   GLY  25          HA2       GLY  25  -0.475  -7.480   5.036
  165    H    SER  26           H        SER  26  -1.204  -8.405   2.565
  166    HA   SER  26           HA       SER  26  -1.901 -10.347   1.470
  167   1HB   SER  26          HB2       SER  26   0.097 -11.886   2.971
  168   2HB   SER  26          HB3       SER  26  -0.853 -12.459   1.772
  169    HG   SER  26           HG       SER  26   1.096 -11.970   0.928
  170    H    THR  27           H        THR  27  -2.787  -9.362   4.257
  171    HA   THR  27           HA       THR  27  -4.286 -11.775   5.124
  172    HB   THR  27           HB       THR  27  -5.038 -10.403   6.949
  173    HG1  THR  27           HG1      THR  27  -4.728  -8.331   7.005
  174   1HG2  THR  27          1HG2      THR  27  -2.068  -9.782   6.504
  175   2HG2  THR  27          2HG2      THR  27  -2.949  -9.815   8.042
  176   3HG2  THR  27          3HG2      THR  27  -2.703 -11.318   7.128
  177    H    ASP  28           H        ASP  28  -6.740  -9.961   5.790
  178    HA   ASP  28           HA       ASP  28  -7.746  -9.805   2.954
  179   1HB   ASP  28          HB2       ASP  28  -9.235 -10.894   4.489
  180   2HB   ASP  28          HB3       ASP  28  -9.188  -9.636   5.530
  181    H    GLU  29           H        GLU  29  -7.745  -8.075   5.976
  182    HA   GLU  29           HA       GLU  29  -8.149  -5.402   5.123
  183   1HB   GLU  29          HB2       GLU  29  -6.308  -5.507   7.269
  184   2HB   GLU  29          HB3       GLU  29  -7.840  -4.943   7.243
  185   1HG   GLU  29          HG2       GLU  29  -7.693  -6.520   8.937
  186   2HG   GLU  29          HG3       GLU  29  -8.611  -7.164   7.749
  187    H    TYR  30           H        TYR  30  -5.138  -7.305   5.038
  188    HA   TYR  30           HA       TYR  30  -3.862  -5.013   3.600
  189   1HB   TYR  30          HB2       TYR  30  -2.596  -7.111   5.212
  190   2HB   TYR  30          HB3       TYR  30  -1.807  -5.943   4.387
  191    HD1  TYR  30           HD1      TYR  30  -3.615  -6.722   7.414
  192    HD2  TYR  30           HD2      TYR  30  -1.731  -3.617   5.124
  193    HE1  TYR  30           HE1      TYR  30  -4.175  -5.087   9.187
  194    HE2  TYR  30           HE2      TYR  30  -2.253  -1.985   6.927
  195    HH   TYR  30           HH       TYR  30  -3.009  -1.762   9.039
  196    H    CYS  31           H        CYS  31  -5.622  -7.089   2.406
  197    HA   CYS  31           HA       CYS  31  -3.753  -7.273   0.117
  198   1HB   CYS  31          HB2       CYS  31  -3.983  -9.567   1.091
  199   2HB   CYS  31          HB3       CYS  31  -5.690  -9.532   0.667
  200    H    SER  32           H        SER  32  -7.178  -7.390   1.225
  201    HA   SER  32           HA       SER  32  -8.302  -6.439  -1.262
  202   1HB   SER  32          HB2       SER  32  -9.284  -6.414   1.535
  203   2HB   SER  32          HB3       SER  32 -10.181  -5.944   0.254
  204    HG   SER  32           HG       SER  32  -9.945  -8.326   1.149
  205   1HN   NH2  33          HN1       NH2  33  -7.628  -4.564  -2.125
  206   2HN   NH2  33          HN2       NH2  33  -7.404  -3.068  -1.241
  207    H1   NAG  34           H1       NAG  34  -9.536  10.138   7.784
  208    H2   NAG  34           H2       NAG  34  -9.124   8.485   5.285
  209    H3   NAG  34           H3       NAG  34  -8.050   8.021   8.091
  210    H4   NAG  34           H4       NAG  34  -6.696   8.730   5.436
  211    H5   NAG  34           H5       NAG  34  -7.153  10.253   8.035
  212   1H6   NAG  34          1H6       NAG  34  -6.190  12.176   6.634
  213   2H6   NAG  34          2H6       NAG  34  -5.440  10.934   5.619
  214   1H8   NAG  34          1H8       NAG  34 -12.477   5.313   5.967
  215   2H8   NAG  34          2H8       NAG  34 -11.914   5.688   7.615
  216   3H8   NAG  34          3H8       NAG  34 -12.960   6.847   6.732
  217    HN2  NAG  34           H2N      NAG  34 -10.950   7.998   7.599
  218    HO1  NAG  34           HO1      NAG  34 -11.266  10.114   6.243
  219    HO3  NAG  34           HO3      NAG  34  -7.213   6.230   7.159
  220    HO6  NAG  34           HO6      NAG  34  -4.122  10.425   7.267
  221    H1   NAG  35           H1       NAG  35  -5.459   6.762   5.674
  222    H2   NAG  35           H2       NAG  35  -3.113   7.341   7.494
  223    H3   NAG  35           H3       NAG  35  -3.352   5.064   5.494
  224    H4   NAG  35           H4       NAG  35  -3.350   5.022   8.539
  225    H5   NAG  35           H5       NAG  35  -5.513   4.443   6.459
  226   1H6   NAG  35          1H6       NAG  35  -5.769   2.870   8.327
  227   2H6   NAG  35          2H6       NAG  35  -7.013   4.123   8.402
  228   1H8   NAG  35          1H8       NAG  35  -1.165   8.900   3.929
  229   2H8   NAG  35          2H8       NAG  35  -2.732   9.615   3.447
  230   3H8   NAG  35          3H8       NAG  35  -1.610  10.542   4.482
  231    HN2  NAG  35           H2N      NAG  35  -2.702   7.227   4.522
  232    HO3  NAG  35           HO3      NAG  35  -1.254   5.934   5.847
  233    HO6  NAG  35           HO6      NAG  35  -5.659   5.215   9.922
  234    H1   NAG  36           H1       NAG  36  -3.474   2.715   9.415
  235    H2   NAG  36           H2       NAG  36  -2.054   1.037   7.331
  236    H3   NAG  36           H3       NAG  36  -2.241   0.496  10.289
  237    H4   NAG  36           H4       NAG  36   0.018   1.337   8.378
  238    H5   NAG  36           H5       NAG  36  -1.378   2.583  10.788
  239   1H6   NAG  36          1H6       NAG  36   0.149   4.538  10.321
  240   2H6   NAG  36          2H6       NAG  36   1.139   3.463   9.325
  241   1H8   NAG  36          1H8       NAG  36  -5.978  -1.187   6.113
  242   2H8   NAG  36          2H8       NAG  36  -5.696  -1.540   7.830
  243   3H8   NAG  36          3H8       NAG  36  -6.500  -0.012   7.341
  244    HN2  NAG  36           H2N      NAG  36  -4.523   0.290   8.907
  245    HO4  NAG  36           HO4      NAG  36   0.747  -0.322   9.912
  246    HO3  NAG  36           HO3      NAG  36  -0.724  -1.127   9.434
  247    HO6  NAG  36           HO6      NAG  36   0.682   3.337  12.109
  Start of MODEL    4
    1   1H    GLU   1           H1       GLU   1   1.416   5.097   5.221
    2   2H    GLU   1           H2       GLU   1   2.969   5.327   4.704
    3   3H    GLU   1           H3       GLU   1   2.604   4.036   5.653
    4    HA   GLU   1           HA       GLU   1   1.404   2.962   3.925
    5   1HB   GLU   1          HB2       GLU   1   1.731   5.573   2.578
    6   2HB   GLU   1          HB3       GLU   1   1.390   4.212   1.742
    7   1HG   GLU   1          HG2       GLU   1  -0.663   5.049   2.032
    8   2HG   GLU   1          HG3       GLU   1  -0.561   4.042   3.314
    9    H    GLN   2           H        GLN   2   2.577   1.669   2.392
   10    HA   GLN   2           HA       GLN   2   5.281   2.729   1.621
   11   1HB   GLN   2          HB2       GLN   2   4.787  -0.149   1.900
   12   2HB   GLN   2          HB3       GLN   2   6.214   0.625   1.723
   13   1HG   GLN   2          HG2       GLN   2   6.426   0.212   3.865
   14   2HG   GLN   2          HG3       GLN   2   5.495   1.544   4.038
   15   1HE2  GLN   2          1HE2      GLN   2   5.800  -1.215   5.573
   16   2HE2  GLN   2          2HE2      GLN   2   4.114  -1.631   5.762
   17    H    CYS   3           H        CYS   3   2.184   1.597   0.516
   18    HA   CYS   3           HA       CYS   3   3.335   0.997  -2.171
   19   1HB   CYS   3          HB2       CYS   3   2.187  -1.182  -2.111
   20   2HB   CYS   3          HB3       CYS   3   3.378  -1.027  -0.826
   21    H    GLY   4           H        GLY   4   1.599   0.422  -3.727
   22   1HA   GLY   4          HA1       GLY   4  -0.202   1.025  -4.999
   23   2HA   GLY   4          HA2       GLY   4  -1.108   0.882  -3.497
   24    H    ARG   5           H        ARG   5  -1.180   2.858  -2.139
   25    HA   ARG   5           HA       ARG   5  -2.284   4.916  -3.963
   26   1HB   ARG   5          HB2       ARG   5  -2.716   4.221  -1.140
   27   2HB   ARG   5          HB3       ARG   5  -3.270   5.635  -1.741
   28   1HG   ARG   5          HG2       ARG   5  -4.658   4.470  -3.255
   29   2HG   ARG   5          HG3       ARG   5  -4.074   3.044  -2.714
   30   1HD   ARG   5          HD2       ARG   5  -6.232   3.655  -1.748
   31   2HD   ARG   5          HD3       ARG   5  -5.078   3.328  -0.638
   32    HE   ARG   5           HE       ARG   5  -4.920   6.044  -0.953
   33   1HH1  ARG   5          2HH2      ARG   5  -7.415   3.877   0.283
   34   2HH1  ARG   5          1HH2      ARG   5  -8.008   5.116   1.339
   35   1HH2  ARG   5          2HH1      ARG   5  -5.672   7.475   0.356
   36   2HH2  ARG   5          1HH1      ARG   5  -7.027   7.136   1.381
   37    H    GLN   6           H        GLN   6  -1.370   5.921  -0.701
   38    HA   GLN   6           HA       GLN   6  -0.408   8.333  -1.915
   39   1HB   GLN   6          HB2       GLN   6  -0.402   7.451   0.892
   40   2HB   GLN   6          HB3       GLN   6   0.115   8.927   0.423
   41   1HG   GLN   6          HG2       GLN   6  -2.041   9.293   1.074
   42   2HG   GLN   6          HG3       GLN   6  -2.137   9.231  -0.555
   43   1HE2  GLN   6          1HE2      GLN   6  -2.086   6.838   2.037
   44   2HE2  GLN   6          2HE2      GLN   6  -3.327   5.823   1.349
   45    H    ALA   7           H        ALA   7   1.333   5.429  -1.258
   46    HA   ALA   7           HA       ALA   7   3.957   6.747  -1.302
   47   1HB   ALA   7          HB1       ALA   7   3.138   3.846  -1.750
   48   2HB   ALA   7          HB2       ALA   7   4.794   4.440  -1.506
   49   3HB   ALA   7          HB3       ALA   7   3.608   4.569  -0.193
   50    H    GLY   8           H        GLY   8   1.543   6.172  -3.688
   51   1HA   GLY   8          HA1       GLY   8   1.542   6.581  -5.924
   52   2HA   GLY   8          HA2       GLY   8   3.217   7.116  -5.808
   53    H    GLY   9           H        GLY   9   1.275   4.121  -5.737
   54   1HA   GLY   9          HA1       GLY   9   1.289   2.382  -7.222
   55   2HA   GLY   9          HA2       GLY   9   2.574   3.185  -8.113
   56    H    LYS  10           H        LYS  10   3.567   2.566  -4.873
   57    HA   LYS  10           HA       LYS  10   5.470   0.584  -5.920
   58   1HB   LYS  10          HB2       LYS  10   5.159   1.892  -3.301
   59   2HB   LYS  10          HB3       LYS  10   6.180   0.630  -3.479
   60   1HG   LYS  10          HG2       LYS  10   7.369   2.670  -3.695
   61   2HG   LYS  10          HG3       LYS  10   7.409   1.854  -5.110
   62   1HD   LYS  10          HD2       LYS  10   5.847   3.242  -6.063
   63   2HD   LYS  10          HD3       LYS  10   5.441   3.886  -4.618
   64   1HE   LYS  10          HE2       LYS  10   7.670   4.890  -4.565
   65   2HE   LYS  10          HE3       LYS  10   7.829   4.434  -6.125
   66   1HZ   LYS  10          HZ1       LYS  10   7.034   6.626  -6.170
   67   2HZ   LYS  10          HZ2       LYS  10   5.744   5.636  -6.556
   68   3HZ   LYS  10          HZ3       LYS  10   5.870   6.231  -5.057
   69    H    LEU  11           H        LEU  11   5.949  -1.423  -4.748
   70    HA   LEU  11           HA       LEU  11   3.448  -2.918  -4.063
   71   1HB   LEU  11          HB2       LEU  11   5.829  -3.898  -5.533
   72   2HB   LEU  11          HB3       LEU  11   4.487  -4.765  -5.193
   73    HG   LEU  11           HG       LEU  11   4.587  -2.435  -7.040
   74   1HD1  LEU  11          1HD1      LEU  11   4.233  -5.405  -7.603
   75   2HD1  LEU  11          2HD1      LEU  11   4.202  -4.093  -8.800
   76   3HD1  LEU  11          3HD1      LEU  11   5.700  -4.454  -7.923
   77   1HD2  LEU  11          1HD2      LEU  11   2.288  -3.149  -7.671
   78   2HD2  LEU  11          2HD2      LEU  11   2.300  -4.341  -6.355
   79   3HD2  LEU  11          3HD2      LEU  11   2.362  -2.598  -5.997
   80    H    CYS  12           H        CYS  12   4.230  -5.173  -3.014
   81    HA   CYS  12           HA       CYS  12   5.952  -4.406  -0.718
   82   1HB   CYS  12          HB2       CYS  12   3.499  -6.186  -0.946
   83   2HB   CYS  12          HB3       CYS  12   4.415  -5.885   0.527
   84    HA   PRO  13           HA       PRO  13   8.426  -7.806  -1.754
   85   1HB   PRO  13          HB2       PRO  13   9.756  -8.213   0.497
   86   2HB   PRO  13          HB3       PRO  13   9.832  -6.757  -0.239
   87   1HG   PRO  13          HG2       PRO  13   8.132  -7.480   2.007
   88   2HG   PRO  13          HG3       PRO  13   9.083  -6.157   1.890
   89   1HD   PRO  13          HD2       PRO  13   6.550  -5.991   1.277
   90   2HD   PRO  13          HD3       PRO  13   7.647  -5.103   0.455
   91    H    ASN  14           H        ASN  14   9.335  -9.916  -1.128
   92    HA   ASN  14           HA       ASN  14   9.174 -12.147  -0.973
   93   1HB   ASN  14          HB2       ASN  14   8.209 -11.252   1.667
   94   2HB   ASN  14          HB3       ASN  14   8.733 -12.768   1.357
   95   1HD2  ASN  14          1HD2      ASN  14  10.276 -12.165   3.221
   96   2HD2  ASN  14          2HD2      ASN  14  11.742 -11.361   2.646
   97    H    ASN  15           H        ASN  15   6.179 -11.308   0.698
   98    HA   ASN  15           HA       ASN  15   4.642 -13.034  -1.152
   99   1HB   ASN  15          HB2       ASN  15   3.892 -14.506   0.465
  100   2HB   ASN  15          HB3       ASN  15   5.499 -14.426   0.746
  101   1HD2  ASN  15          1HD2      ASN  15   2.470 -13.097   1.827
  102   2HD2  ASN  15          2HD2      ASN  15   2.868 -13.104   3.558
  103    H    LEU  16           H        LEU  16   4.797 -10.053   0.101
  104    HA   LEU  16           HA       LEU  16   2.201 -10.018   1.473
  105   1HB   LEU  16          HB2       LEU  16   4.279  -7.949   1.097
  106   2HB   LEU  16          HB3       LEU  16   2.993  -7.836   2.098
  107    HG   LEU  16           HG       LEU  16   5.274  -9.715   2.438
  108   1HD1  LEU  16          1HD1      LEU  16   4.402  -7.289   4.063
  109   2HD1  LEU  16          2HD1      LEU  16   5.775  -8.360   4.421
  110   3HD1  LEU  16          3HD1      LEU  16   5.797  -7.353   2.963
  111   1HD2  LEU  16          1HD2      LEU  16   2.925  -9.219   4.300
  112   2HD2  LEU  16          2HD2      LEU  16   3.167 -10.690   3.326
  113   3HD2  LEU  16          3HD2      LEU  16   4.312 -10.279   4.602
  114    H    CYS  17           H        CYS  17   0.778  -8.336   1.155
  115    HA   CYS  17           HA       CYS  17   0.327  -7.382  -1.633
  116   1HB   CYS  17          HB2       CYS  17  -1.206  -9.279  -0.451
  117   2HB   CYS  17          HB3       CYS  17  -1.961  -7.875   0.236
  118    H    CYS  18           H        CYS  18  -1.663  -5.649  -1.126
  119    HA   CYS  18           HA       CYS  18  -0.429  -3.603   0.653
  120   1HB   CYS  18          HB2       CYS  18   0.344  -3.331  -1.728
  121   2HB   CYS  18          HB3       CYS  18  -1.351  -3.152  -2.208
  122    H    SER  19           H        SER  19  -1.868  -2.422   1.767
  123    HA   SER  19           HA       SER  19  -4.566  -3.257   1.889
  124   1HB   SER  19          HB2       SER  19  -4.731  -1.759   3.626
  125   2HB   SER  19          HB3       SER  19  -3.141  -2.130   3.651
  126    HG   SER  19           HG       SER  19  -3.634   0.048   3.957
  127    H    GLN  20           H        GLN  20  -6.383  -1.724   2.020
  128    HA   GLN  20           HA       GLN  20  -6.889  -0.403  -0.520
  129   1HB   GLN  20          HB2       GLN  20  -8.526  -0.195   1.924
  130   2HB   GLN  20          HB3       GLN  20  -9.012  -0.035   0.373
  131   1HG   GLN  20          HG2       GLN  20  -9.853  -2.055   0.980
  132   2HG   GLN  20          HG3       GLN  20  -8.507  -2.448   0.144
  133   1HE2  GLN  20          1HE2      GLN  20  -8.933  -4.633   1.439
  134   2HE2  GLN  20          2HE2      GLN  20  -8.059  -4.584   2.995
  135    H    TRP  21           H        TRP  21  -5.119   0.533   2.230
  136    HA   TRP  21           HA       TRP  21  -5.616   3.403   1.627
  137   1HB   TRP  21          HB2       TRP  21  -5.800   2.129   4.062
  138   2HB   TRP  21          HB3       TRP  21  -4.480   3.088   4.138
  139    HD1  TRP  21           HD       TRP  21  -8.166   3.189   3.978
  140    HE1  TRP  21           HE1      TRP  21  -9.049   5.617   4.049
  141    HE3  TRP  21           HE3      TRP  21  -3.695   5.667   3.741
  142    HZ2  TRP  21           HZ2      TRP  21  -7.933   8.282   3.688
  143    HZ3  TRP  21           HZ3      TRP  21  -3.627   8.122   3.570
  144    HH2  TRP  21           HH       TRP  21  -5.711   9.445   3.503
  145    H    GLY  22           H        GLY  22  -3.168   0.946   1.630
  146   1HA   GLY  22          HA1       GLY  22  -1.304   1.843   0.059
  147   2HA   GLY  22          HA2       GLY  22  -1.104   3.111   1.247
  148    H    TRP  23           H        TRP  23  -1.778   0.012   2.688
  149    HA   TRP  23           HA       TRP  23   1.049   0.149   3.652
  150   1HB   TRP  23          HB2       TRP  23  -1.493  -0.491   4.966
  151   2HB   TRP  23          HB3       TRP  23  -0.037  -0.725   5.668
  152    HD1  TRP  23           HD       TRP  23  -2.552   1.919   5.007
  153    HE1  TRP  23           HE1      TRP  23  -1.933   3.935   6.519
  154    HE3  TRP  23           HE3      TRP  23   2.251   0.746   5.996
  155    HZ2  TRP  23           HZ2      TRP  23   0.332   4.902   7.928
  156    HZ3  TRP  23           HZ3      TRP  23   3.641   2.151   7.583
  157    HH2  TRP  23           HH       TRP  23   2.648   4.180   8.606
  158    H    CYS  24           H        CYS  24   2.311  -1.656   3.640
  159    HA   CYS  24           HA       CYS  24   1.366  -3.916   2.140
  160   1HB   CYS  24          HB2       CYS  24   3.840  -3.505   3.835
  161   2HB   CYS  24          HB3       CYS  24   3.551  -4.958   2.872
  162    H    GLY  25           H        GLY  25   0.917  -6.066   2.746
  163   1HA   GLY  25          HA1       GLY  25   0.882  -6.821   5.603
  164   2HA   GLY  25          HA2       GLY  25  -0.698  -6.630   4.822
  165    H    SER  26           H        SER  26   0.037  -9.129   5.866
  166    HA   SER  26           HA       SER  26   0.875 -10.718   3.454
  167   1HB   SER  26          HB2       SER  26   2.122 -11.014   5.573
  168   2HB   SER  26          HB3       SER  26   0.784 -11.664   6.248
  169    HG   SER  26           HG       SER  26   0.713 -13.168   4.586
  170    H    THR  27           H        THR  27  -1.947  -9.628   4.288
  171    HA   THR  27           HA       THR  27  -3.432 -12.188   4.572
  172    HB   THR  27           HB       THR  27  -4.579 -10.962   6.453
  173    HG1  THR  27           HG1      THR  27  -3.971  -9.014   6.928
  174   1HG2  THR  27          1HG2      THR  27  -2.589 -12.495   6.888
  175   2HG2  THR  27          2HG2      THR  27  -1.554 -11.045   6.880
  176   3HG2  THR  27          3HG2      THR  27  -2.829 -11.209   8.095
  177    H    ASP  28           H        ASP  28  -5.806 -11.920   4.194
  178    HA   ASP  28           HA       ASP  28  -5.987 -10.574   1.684
  179   1HB   ASP  28          HB2       ASP  28  -7.156 -12.627   2.203
  180   2HB   ASP  28          HB3       ASP  28  -8.172 -11.837   3.210
  181    H    GLU  29           H        GLU  29  -7.163  -9.598   4.930
  182    HA   GLU  29           HA       GLU  29  -8.654  -7.355   3.848
  183   1HB   GLU  29          HB2       GLU  29  -8.931  -6.733   6.027
  184   2HB   GLU  29          HB3       GLU  29  -8.964  -8.366   6.062
  185   1HG   GLU  29          HG2       GLU  29  -6.788  -6.740   6.994
  186   2HG   GLU  29          HG3       GLU  29  -7.856  -7.522   7.952
  187    H    TYR  30           H        TYR  30  -5.306  -7.978   3.954
  188    HA   TYR  30           HA       TYR  30  -4.751  -5.100   3.375
  189   1HB   TYR  30          HB2       TYR  30  -3.077  -7.246   4.456
  190   2HB   TYR  30          HB3       TYR  30  -2.388  -6.039   3.598
  191    HD1  TYR  30           HD1      TYR  30  -4.510  -6.654   6.519
  192    HD2  TYR  30           HD2      TYR  30  -1.636  -4.073   4.631
  193    HE1  TYR  30           HE1      TYR  30  -4.501  -5.180   8.536
  194    HE2  TYR  30           HE2      TYR  30  -1.559  -2.662   6.661
  195    HH   TYR  30           HH       TYR  30  -2.312  -2.392   8.742
  196    H    CYS  31           H        CYS  31  -5.922  -7.529   1.687
  197    HA   CYS  31           HA       CYS  31  -4.091  -7.014  -0.610
  198   1HB   CYS  31          HB2       CYS  31  -3.891  -9.312   0.510
  199   2HB   CYS  31          HB3       CYS  31  -5.467  -9.670  -0.197
  200    H    SER  32           H        SER  32  -7.379  -8.388   0.165
  201    HA   SER  32           HA       SER  32  -8.527  -7.581  -2.351
  202   1HB   SER  32          HB2       SER  32  -9.687  -8.295   0.260
  203   2HB   SER  32          HB3       SER  32 -10.628  -7.817  -0.987
  204    HG   SER  32           HG       SER  32  -9.054 -10.058  -0.746
  205   1HN   NH2  33          HN1       NH2  33  -8.135  -5.502  -2.950
  206   2HN   NH2  33          HN2       NH2  33  -8.692  -4.109  -2.047
  207    H1   NAG  34           H1       NAG  34 -10.866   9.197   7.801
  208    H2   NAG  34           H2       NAG  34  -9.648   7.977   5.315
  209    H3   NAG  34           H3       NAG  34  -9.629   7.049   8.217
  210    H4   NAG  34           H4       NAG  34  -7.502   7.959   6.218
  211    H5   NAG  34           H5       NAG  34  -8.541   9.229   8.769
  212   1H6   NAG  34          1H6       NAG  34  -6.127   9.689   8.393
  213   2H6   NAG  34          2H6       NAG  34  -7.106  11.130   8.080
  214   1H8   NAG  34          1H8       NAG  34 -13.020   4.948   5.819
  215   2H8   NAG  34          2H8       NAG  34 -13.703   6.333   4.904
  216   3H8   NAG  34          3H8       NAG  34 -12.921   4.985   4.041
  217    HN2  NAG  34           H2N      NAG  34 -12.189   7.195   6.680
  218    HO1  NAG  34           HO1      NAG  34 -12.049   9.518   5.834
  219    HO3  NAG  34           HO3      NAG  34  -8.425   5.349   7.376
  220    HO6  NAG  34           HO6      NAG  34  -7.026  10.590   5.865
  221    H1   NAG  35           H1       NAG  35  -6.406   6.051   6.414
  222    H2   NAG  35           H2       NAG  35  -4.624   6.426   8.802
  223    H3   NAG  35           H3       NAG  35  -4.166   4.740   6.301
  224    H4   NAG  35           H4       NAG  35  -4.684   3.940   9.210
  225    H5   NAG  35           H5       NAG  35  -6.266   3.669   6.613
  226   1H6   NAG  35          1H6       NAG  35  -8.021   2.654   8.099
  227   2H6   NAG  35          2H6       NAG  35  -6.794   2.515   9.372
  228   1H8   NAG  35          1H8       NAG  35  -3.579   9.775   6.172
  229   2H8   NAG  35          2H8       NAG  35  -1.950   9.741   6.904
  230   3H8   NAG  35          3H8       NAG  35  -2.272   8.768   5.451
  231    HN2  NAG  35           H2N      NAG  35  -4.716   7.740   6.150
  232    HO3  NAG  35           HO3      NAG  35  -2.505   5.906   8.006
  233    HO6  NAG  35           HO6      NAG  35  -5.560   1.377   7.610
  234    H1   NAG  36           H1       NAG  36  -4.113   1.530   9.646
  235    H2   NAG  36           H2       NAG  36  -2.224   0.889   7.389
  236    H3   NAG  36           H3       NAG  36  -2.278  -0.423  10.106
  237    H4   NAG  36           H4       NAG  36  -0.225   1.408   8.759
  238    H5   NAG  36           H5       NAG  36  -2.178   1.723  11.097
  239   1H6   NAG  36          1H6       NAG  36  -1.273   4.061  11.215
  240   2H6   NAG  36          2H6       NAG  36   0.054   3.559  10.153
  241   1H8   NAG  36          1H8       NAG  36  -4.847  -2.568   6.049
  242   2H8   NAG  36          2H8       NAG  36  -5.851  -1.878   7.354
  243   3H8   NAG  36          3H8       NAG  36  -6.065  -1.329   5.685
  244    HN2  NAG  36           H2N      NAG  36  -4.031  -1.233   8.450
  245    HO4  NAG  36           HO4      NAG  36   0.771  -0.231  10.149
  246    HO3  NAG  36           HO3      NAG  36  -0.230  -1.160   8.965
  247    HO6  NAG  36           HO6      NAG  36   0.414   1.864  11.788
  Start of MODEL    5
    1   1H    GLU   1           H1       GLU   1   2.270   6.236   5.104
    2   2H    GLU   1           H2       GLU   1   3.690   6.134   4.253
    3   3H    GLU   1           H3       GLU   1   3.496   5.247   5.621
    4    HA   GLU   1           HA       GLU   1   1.895   3.842   4.625
    5   1HB   GLU   1          HB2       GLU   1   1.862   5.960   2.625
    6   2HB   GLU   1          HB3       GLU   1   1.630   4.434   2.093
    7   1HG   GLU   1          HG2       GLU   1  -0.456   5.384   2.485
    8   2HG   GLU   1          HG3       GLU   1  -0.209   4.218   3.602
    9    H    GLN   2           H        GLN   2   2.498   2.124   3.023
   10    HA   GLN   2           HA       GLN   2   5.450   2.169   2.501
   11   1HB   GLN   2          HB2       GLN   2   4.767   0.829   4.413
   12   2HB   GLN   2          HB3       GLN   2   3.769  -0.065   3.480
   13   1HG   GLN   2          HG2       GLN   2   5.847  -1.178   3.944
   14   2HG   GLN   2          HG3       GLN   2   5.575  -1.000   2.343
   15   1HE2  GLN   2          1HE2      GLN   2   7.103   0.896   4.962
   16   2HE2  GLN   2          2HE2      GLN   2   8.456   1.348   3.924
   17    H    CYS   3           H        CYS   3   2.295   1.536   1.110
   18    HA   CYS   3           HA       CYS   3   3.506   0.851  -1.474
   19   1HB   CYS   3          HB2       CYS   3   2.350  -1.347  -1.555
   20   2HB   CYS   3          HB3       CYS   3   3.551  -1.271  -0.275
   21    H    GLY   4           H        GLY   4   1.552   0.200  -3.002
   22   1HA   GLY   4          HA1       GLY   4  -0.596   0.557  -3.828
   23   2HA   GLY   4          HA2       GLY   4  -1.097   1.095  -2.217
   24    H    ARG   5           H        ARG   5  -2.372   2.515  -3.835
   25    HA   ARG   5           HA       ARG   5  -1.193   4.424  -5.492
   26   1HB   ARG   5          HB2       ARG   5  -3.571   3.766  -5.310
   27   2HB   ARG   5          HB3       ARG   5  -3.737   4.775  -4.036
   28   1HG   ARG   5          HG2       ARG   5  -2.813   5.815  -6.531
   29   2HG   ARG   5          HG3       ARG   5  -4.414   5.583  -6.307
   30   1HD   ARG   5          HD2       ARG   5  -2.754   7.418  -4.835
   31   2HD   ARG   5          HD3       ARG   5  -3.949   7.824  -5.872
   32    HE   ARG   5           HE       ARG   5  -4.279   6.896  -3.156
   33   1HH1  ARG   5          2HH2      ARG   5  -6.031   7.783  -6.081
   34   2HH1  ARG   5          1HH2      ARG   5  -7.544   7.758  -5.240
   35   1HH2  ARG   5          2HH1      ARG   5  -6.175   6.856  -2.192
   36   2HH2  ARG   5          1HH1      ARG   5  -7.625   7.238  -3.060
   37    H    GLN   6           H        GLN   6  -1.898   4.828  -2.005
   38    HA   GLN   6           HA       GLN   6  -1.071   7.597  -1.929
   39   1HB   GLN   6          HB2       GLN   6  -1.247   5.544   0.179
   40   2HB   GLN   6          HB3       GLN   6  -0.800   7.086   0.483
   41   1HG   GLN   6          HG2       GLN   6  -3.052   6.956   0.972
   42   2HG   GLN   6          HG3       GLN   6  -2.934   7.796  -0.423
   43   1HE2  GLN   6          1HE2      GLN   6  -3.051   4.421   0.439
   44   2HE2  GLN   6          2HE2      GLN   6  -4.378   3.980  -0.627
   45    H    ALA   7           H        ALA   7   0.828   4.692  -2.263
   46    HA   ALA   7           HA       ALA   7   3.283   6.358  -1.947
   47   1HB   ALA   7          HB1       ALA   7   4.492   4.280  -1.583
   48   2HB   ALA   7          HB2       ALA   7   3.168   4.397  -0.404
   49   3HB   ALA   7          HB3       ALA   7   3.003   3.340  -1.823
   50    H    GLY   8           H        GLY   8   1.397   6.450  -4.205
   51   1HA   GLY   8          HA1       GLY   8   1.689   6.765  -6.456
   52   2HA   GLY   8          HA2       GLY   8   3.399   6.375  -6.259
   53    H    GLY   9           H        GLY   9   1.384   3.836  -5.126
   54   1HA   GLY   9          HA1       GLY   9   0.603   1.893  -6.307
   55   2HA   GLY   9          HA2       GLY   9   1.538   2.365  -7.725
   56    H    LYS  10           H        LYS  10   3.508   2.830  -4.954
   57    HA   LYS  10           HA       LYS  10   5.343   0.839  -5.613
   58   1HB   LYS  10          HB2       LYS  10   5.928   2.588  -4.159
   59   2HB   LYS  10          HB3       LYS  10   4.782   2.217  -3.056
   60   1HG   LYS  10          HG2       LYS  10   5.929   0.249  -2.480
   61   2HG   LYS  10          HG3       LYS  10   7.042   0.532  -3.642
   62   1HD   LYS  10          HD2       LYS  10   7.817   2.428  -2.431
   63   2HD   LYS  10          HD3       LYS  10   6.712   2.132  -1.266
   64   1HE   LYS  10          HE2       LYS  10   8.834   0.312  -2.005
   65   2HE   LYS  10          HE3       LYS  10   8.839   1.225  -0.651
   66   1HZ   LYS  10          HZ1       LYS  10   8.232  -0.975  -0.139
   67   2HZ   LYS  10          HZ2       LYS  10   6.996   0.043   0.196
   68   3HZ   LYS  10          HZ3       LYS  10   6.943  -0.906  -1.163
   69    H    LEU  11           H        LEU  11   5.930  -1.140  -4.791
   70    HA   LEU  11           HA       LEU  11   3.691  -2.850  -3.873
   71   1HB   LEU  11          HB2       LEU  11   6.298  -3.600  -5.057
   72   2HB   LEU  11          HB3       LEU  11   5.026  -4.594  -4.811
   73    HG   LEU  11           HG       LEU  11   5.122  -2.357  -6.769
   74   1HD1  LEU  11          1HD1      LEU  11   4.971  -5.370  -7.173
   75   2HD1  LEU  11          2HD1      LEU  11   4.994  -4.131  -8.445
   76   3HD1  LEU  11          3HD1      LEU  11   6.416  -4.361  -7.413
   77   1HD2  LEU  11          1HD2      LEU  11   2.930  -3.255  -7.553
   78   2HD2  LEU  11          2HD2      LEU  11   2.882  -4.338  -6.145
   79   3HD2  LEU  11          3HD2      LEU  11   2.827  -2.567  -5.934
   80    H    CYS  12           H        CYS  12   4.723  -4.951  -2.779
   81    HA   CYS  12           HA       CYS  12   5.845  -4.025  -0.180
   82   1HB   CYS  12          HB2       CYS  12   3.733  -6.026  -1.050
   83   2HB   CYS  12          HB3       CYS  12   4.423  -6.075   0.560
   84    HA   PRO  13           HA       PRO  13   9.027  -6.904  -0.594
   85   1HB   PRO  13          HB2       PRO  13   9.535  -7.749   1.877
   86   2HB   PRO  13          HB3       PRO  13   9.719  -6.175   1.480
   87   1HG   PRO  13          HG2       PRO  13   7.466  -7.377   2.850
   88   2HG   PRO  13          HG3       PRO  13   8.229  -5.988   3.244
   89   1HD   PRO  13          HD2       PRO  13   6.014  -5.933   1.842
   90   2HD   PRO  13          HD3       PRO  13   7.168  -4.801   1.613
   91    H    ASN  14           H        ASN  14   9.876  -8.970  -0.479
   92    HA   ASN  14           HA       ASN  14   9.986 -11.142  -0.958
   93   1HB   ASN  14          HB2       ASN  14   9.631 -11.008   1.546
   94   2HB   ASN  14          HB3       ASN  14   8.152 -11.647   1.281
   95   1HD2  ASN  14          1HD2      ASN  14   7.894 -13.957   0.876
   96   2HD2  ASN  14          2HD2      ASN  14   9.381 -14.894   0.765
   97    H    ASN  15           H        ASN  15   6.598 -10.866  -0.049
   98    HA   ASN  15           HA       ASN  15   5.603 -11.669  -2.656
   99   1HB   ASN  15          HB2       ASN  15   4.768 -13.809  -2.017
  100   2HB   ASN  15          HB3       ASN  15   6.378 -13.804  -1.745
  101   1HD2  ASN  15          1HD2      ASN  15   3.316 -13.371  -0.145
  102   2HD2  ASN  15          2HD2      ASN  15   3.861 -14.096   1.394
  103    H    LEU  16           H        LEU  16   5.111  -9.622  -0.243
  104    HA   LEU  16           HA       LEU  16   2.407 -10.460   0.561
  105   1HB   LEU  16          HB2       LEU  16   4.069  -8.128   1.273
  106   2HB   LEU  16          HB3       LEU  16   2.618  -8.473   1.937
  107    HG   LEU  16           HG       LEU  16   5.093 -10.087   2.246
  108   1HD1  LEU  16          1HD1      LEU  16   4.930  -9.393   4.597
  109   2HD1  LEU  16          2HD1      LEU  16   4.991  -7.960   3.555
  110   3HD1  LEU  16          3HD1      LEU  16   3.441  -8.491   4.252
  111   1HD2  LEU  16          1HD2      LEU  16   2.317 -10.513   3.435
  112   2HD2  LEU  16          2HD2      LEU  16   3.130 -11.589   2.270
  113   3HD2  LEU  16          3HD2      LEU  16   3.775 -11.398   3.904
  114    H    CYS  17           H        CYS  17   0.718  -8.963   0.618
  115    HA   CYS  17           HA       CYS  17   0.263  -7.423  -1.894
  116   1HB   CYS  17          HB2       CYS  17  -1.215  -9.444  -0.962
  117   2HB   CYS  17          HB3       CYS  17  -1.857  -8.214   0.084
  118    H    CYS  18           H        CYS  18  -1.663  -5.743  -1.066
  119    HA   CYS  18           HA       CYS  18  -0.430  -4.003   0.994
  120   1HB   CYS  18          HB2       CYS  18   0.418  -3.445  -1.311
  121   2HB   CYS  18          HB3       CYS  18  -1.251  -3.147  -1.801
  122    H    SER  19           H        SER  19  -1.931  -2.472   1.935
  123    HA   SER  19           HA       SER  19  -4.790  -3.122   1.736
  124   1HB   SER  19          HB2       SER  19  -5.005  -1.477   3.448
  125   2HB   SER  19          HB3       SER  19  -3.790  -2.493   3.849
  126    HG   SER  19           HG       SER  19  -3.317  -0.410   4.356
  127    H    GLN  20           H        GLN  20  -6.420  -1.328   1.471
  128    HA   GLN  20           HA       GLN  20  -5.874   0.148  -0.964
  129   1HB   GLN  20          HB2       GLN  20  -8.017   0.968  -0.769
  130   2HB   GLN  20          HB3       GLN  20  -8.103  -0.563  -0.209
  131   1HG   GLN  20          HG2       GLN  20  -8.250   1.825   1.380
  132   2HG   GLN  20          HG3       GLN  20  -9.467   0.768   1.115
  133   1HE2  GLN  20          1HE2      GLN  20  -8.964  -1.691   1.903
  134   2HE2  GLN  20          2HE2      GLN  20  -8.254  -1.607   3.525
  135    H    TRP  21           H        TRP  21  -5.744   1.019   2.495
  136    HA   TRP  21           HA       TRP  21  -5.002   3.739   1.909
  137   1HB   TRP  21          HB2       TRP  21  -5.455   2.200   4.250
  138   2HB   TRP  21          HB3       TRP  21  -4.186   3.211   4.442
  139    HD1  TRP  21           HD       TRP  21  -7.812   3.185   4.574
  140    HE1  TRP  21           HE1      TRP  21  -8.807   5.593   4.517
  141    HE3  TRP  21           HE3      TRP  21  -3.563   5.811   3.460
  142    HZ2  TRP  21           HZ2      TRP  21  -7.931   8.194   3.679
  143    HZ3  TRP  21           HZ3      TRP  21  -3.666   8.251   3.057
  144    HH2  TRP  21           HH       TRP  21  -5.838   9.453   3.131
  145    H    GLY  22           H        GLY  22  -3.007   0.802   2.207
  146   1HA   GLY  22          HA1       GLY  22  -1.162   1.137   0.555
  147   2HA   GLY  22          HA2       GLY  22  -0.738   2.632   1.382
  148    H    TRP  23           H        TRP  23  -1.506  -0.497   2.968
  149    HA   TRP  23           HA       TRP  23   1.360  -0.574   3.878
  150   1HB   TRP  23          HB2       TRP  23  -1.108  -0.897   5.461
  151   2HB   TRP  23          HB3       TRP  23   0.412  -1.047   6.039
  152    HD1  TRP  23           HD       TRP  23  -2.148   1.520   5.162
  153    HE1  TRP  23           HE1      TRP  23  -1.465   3.736   6.327
  154    HE3  TRP  23           HE3      TRP  23   2.736   0.492   6.092
  155    HZ2  TRP  23           HZ2      TRP  23   0.893   4.947   7.312
  156    HZ3  TRP  23           HZ3      TRP  23   4.214   2.185   7.188
  157    HH2  TRP  23           HH       TRP  23   3.284   4.390   7.867
  158    H    CYS  24           H        CYS  24   2.020  -2.843   4.732
  159    HA   CYS  24           HA       CYS  24   1.120  -4.503   2.449
  160   1HB   CYS  24          HB2       CYS  24   3.599  -4.556   4.192
  161   2HB   CYS  24          HB3       CYS  24   3.286  -5.695   2.881
  162    H    GLY  25           H        GLY  25   0.710  -6.800   2.557
  163   1HA   GLY  25          HA1       GLY  25   0.852  -8.204   5.113
  164   2HA   GLY  25          HA2       GLY  25  -0.789  -7.704   4.705
  165    H    SER  26           H        SER  26  -0.438 -10.280   5.128
  166    HA   SER  26           HA       SER  26  -0.576 -11.574   2.423
  167   1HB   SER  26          HB2       SER  26   0.139 -13.559   3.503
  168   2HB   SER  26          HB3       SER  26   1.214 -12.409   3.935
  169    HG   SER  26           HG       SER  26  -0.912 -13.317   5.422
  170    H    THR  27           H        THR  27  -2.737 -10.162   3.330
  171    HA   THR  27           HA       THR  27  -4.680 -12.016   4.589
  172    HB   THR  27           HB       THR  27  -5.030 -10.177   6.327
  173    HG1  THR  27           HG1      THR  27  -3.975  -8.497   5.421
  174   1HG2  THR  27          1HG2      THR  27  -3.580 -12.234   6.816
  175   2HG2  THR  27          2HG2      THR  27  -2.163 -11.234   6.382
  176   3HG2  THR  27          3HG2      THR  27  -3.183 -10.763   7.742
  177    H    ASP  28           H        ASP  28  -6.884 -10.287   4.943
  178    HA   ASP  28           HA       ASP  28  -7.366  -9.703   2.093
  179   1HB   ASP  28          HB2       ASP  28  -9.672  -9.592   2.953
  180   2HB   ASP  28          HB3       ASP  28  -8.976 -11.051   3.190
  181    H    GLU  29           H        GLU  29  -8.020  -8.051   5.192
  182    HA   GLU  29           HA       GLU  29  -7.498  -5.463   3.831
  183   1HB   GLU  29          HB2       GLU  29  -8.658  -5.368   5.950
  184   2HB   GLU  29          HB3       GLU  29  -7.395  -6.052   6.728
  185   1HG   GLU  29          HG2       GLU  29  -7.424  -3.647   6.956
  186   2HG   GLU  29          HG3       GLU  29  -6.041  -4.194   6.282
  187    H    TYR  30           H        TYR  30  -5.514  -4.604   3.661
  188    HA   TYR  30           HA       TYR  30  -3.307  -4.530   3.204
  189   1HB   TYR  30          HB2       TYR  30  -2.844  -6.875   4.860
  190   2HB   TYR  30          HB3       TYR  30  -1.742  -5.793   4.329
  191    HD1  TYR  30           HD1      TYR  30  -3.805  -6.714   7.028
  192    HD2  TYR  30           HD2      TYR  30  -1.899  -3.371   5.103
  193    HE1  TYR  30           HE1      TYR  30  -4.065  -5.354   9.110
  194    HE2  TYR  30           HE2      TYR  30  -2.076  -2.064   7.207
  195    HH   TYR  30           HH       TYR  30  -2.636  -2.121   9.372
  196    H    CYS  31           H        CYS  31  -5.353  -7.034   2.168
  197    HA   CYS  31           HA       CYS  31  -3.565  -6.771  -0.195
  198   1HB   CYS  31          HB2       CYS  31  -3.938  -9.118   0.530
  199   2HB   CYS  31          HB3       CYS  31  -5.633  -8.951   0.082
  200    H    SER  32           H        SER  32  -6.558  -5.859   1.212
  201    HA   SER  32           HA       SER  32  -8.242  -5.149  -0.769
  202   1HB   SER  32          HB2       SER  32  -8.559  -4.630   1.545
  203   2HB   SER  32          HB3       SER  32  -7.408  -3.471   1.522
  204    HG   SER  32           HG       SER  32  -8.965  -2.725  -0.314
  205   1HN   NH2  33          HN1       NH2  33  -4.982  -3.965  -1.026
  206   2HN   NH2  33          HN2       NH2  33  -5.385  -2.586  -2.032
  207    H1   NAG  34           H1       NAG  34  -9.800   9.908   8.217
  208    H2   NAG  34           H2       NAG  34  -9.051   8.439   5.678
  209    H3   NAG  34           H3       NAG  34  -8.344   7.805   8.565
  210    H4   NAG  34           H4       NAG  34  -6.705   8.669   6.121
  211    H5   NAG  34           H5       NAG  34  -7.447  10.003   8.757
  212   1H6   NAG  34          1H6       NAG  34  -6.346  12.017   7.618
  213   2H6   NAG  34          2H6       NAG  34  -5.485  10.854   6.598
  214   1H8   NAG  34          1H8       NAG  34 -13.011   6.652   6.424
  215   2H8   NAG  34          2H8       NAG  34 -12.369   5.191   5.633
  216   3H8   NAG  34          3H8       NAG  34 -12.066   5.453   7.369
  217    HN2  NAG  34           H2N      NAG  34 -11.159   7.762   7.691
  218    HO1  NAG  34           HO1      NAG  34 -10.156  10.396   5.401
  219    HO3  NAG  34           HO3      NAG  34  -7.380   6.056   7.653
  220    HO6  NAG  34           HO6      NAG  34  -4.352  10.216   8.328
  221    H1   NAG  35           H1       NAG  35  -5.538   6.671   6.324
  222    H2   NAG  35           H2       NAG  35  -3.320   7.078   8.338
  223    H3   NAG  35           H3       NAG  35  -3.585   5.039   6.089
  224    H4   NAG  35           H4       NAG  35  -3.553   4.749   9.133
  225    H5   NAG  35           H5       NAG  35  -5.640   4.295   6.939
  226   1H6   NAG  35          1H6       NAG  35  -7.168   3.794   8.865
  227   2H6   NAG  35          2H6       NAG  35  -5.749   3.730   9.925
  228   1H8   NAG  35          1H8       NAG  35  -1.027   8.906   5.216
  229   2H8   NAG  35          2H8       NAG  35  -2.491   9.713   4.573
  230   3H8   NAG  35          3H8       NAG  35  -1.507  10.515   5.827
  231    HN2  NAG  35           H2N      NAG  35  -2.631   7.241   5.478
  232    HO3  NAG  35           HO3      NAG  35  -1.575   5.861   6.330
  233    HO6  NAG  35           HO6      NAG  35  -5.013   2.137   8.169
  234    H1   NAG  36           H1       NAG  36  -3.392   2.397   9.880
  235    H2   NAG  36           H2       NAG  36  -1.914   0.991   7.642
  236    H3   NAG  36           H3       NAG  36  -2.073   0.275  10.577
  237    H4   NAG  36           H4       NAG  36   0.128   1.264   8.677
  238    H5   NAG  36           H5       NAG  36  -1.270   2.406  11.136
  239   1H6   NAG  36          1H6       NAG  36   0.171   4.440  10.614
  240   2H6   NAG  36          2H6       NAG  36   1.185   3.370   9.634
  241   1H8   NAG  36          1H8       NAG  36  -5.404  -1.912   7.629
  242   2H8   NAG  36          2H8       NAG  36  -6.247  -0.333   7.714
  243   3H8   NAG  36          3H8       NAG  36  -5.857  -1.045   6.140
  244    HN2  NAG  36           H2N      NAG  36  -4.357  -0.042   9.110
  245    HO4  NAG  36           HO4      NAG  36   0.943  -0.386  10.179
  246    HO3  NAG  36           HO3      NAG  36  -0.388  -1.182   9.553
  247    HO6  NAG  36           HO6      NAG  36   0.758   3.352  12.418
  Start of MODEL    6
    1   1H    GLU   1           H1       GLU   1   1.264   3.242   2.166
    2   2H    GLU   1           H2       GLU   1   1.706   3.777   0.689
    3   3H    GLU   1           H3       GLU   1   0.814   4.755   1.712
    4    HA   GLU   1           HA       GLU   1   3.100   5.507   1.725
    5   1HB   GLU   1          HB2       GLU   1   1.952   4.310   4.139
    6   2HB   GLU   1          HB3       GLU   1   3.450   4.958   4.204
    7   1HG   GLU   1          HG2       GLU   1   2.113   6.649   4.909
    8   2HG   GLU   1          HG3       GLU   1   2.407   7.028   3.348
    9    H    GLN   2           H        GLN   2   3.137   2.385   3.566
   10    HA   GLN   2           HA       GLN   2   5.867   1.780   2.789
   11   1HB   GLN   2          HB2       GLN   2   4.728   0.956   4.747
   12   2HB   GLN   2          HB3       GLN   2   3.654   0.130   3.835
   13   1HG   GLN   2          HG2       GLN   2   5.511  -1.276   3.118
   14   2HG   GLN   2          HG3       GLN   2   6.405  -0.555   4.280
   15   1HE2  GLN   2          1HE2      GLN   2   6.672  -2.342   5.912
   16   2HE2  GLN   2          2HE2      GLN   2   5.205  -3.116   6.472
   17    H    CYS   3           H        CYS   3   2.691   1.256   1.375
   18    HA   CYS   3           HA       CYS   3   3.952   0.595  -1.191
   19   1HB   CYS   3          HB2       CYS   3   2.588  -1.423  -1.508
   20   2HB   CYS   3          HB3       CYS   3   3.591  -1.575  -0.076
   21    H    GLY   4           H        GLY   4   1.909   0.295  -2.791
   22   1HA   GLY   4          HA1       GLY   4  -0.310   0.626  -3.361
   23   2HA   GLY   4          HA2       GLY   4  -0.599   1.376  -1.792
   24    H    ARG   5           H        ARG   5  -2.018   2.495  -3.493
   25    HA   ARG   5           HA       ARG   5  -1.210   4.277  -5.452
   26   1HB   ARG   5          HB2       ARG   5  -3.509   3.587  -4.554
   27   2HB   ARG   5          HB3       ARG   5  -3.416   4.915  -3.608
   28   1HG   ARG   5          HG2       ARG   5  -3.454   4.909  -6.479
   29   2HG   ARG   5          HG3       ARG   5  -4.674   5.405  -5.513
   30   1HD   ARG   5          HD2       ARG   5  -2.181   6.762  -5.946
   31   2HD   ARG   5          HD3       ARG   5  -3.668   7.303  -6.353
   32    HE   ARG   5           HE       ARG   5  -3.938   7.185  -3.694
   33   1HH1  ARG   5          2HH2      ARG   5  -1.071   8.301  -5.342
   34   2HH1  ARG   5          1HH2      ARG   5  -0.934   9.695  -4.324
   35   1HH2  ARG   5          2HH1      ARG   5  -3.806   9.009  -2.515
   36   2HH2  ARG   5          1HH1      ARG   5  -2.472  10.092  -2.731
   37    H    GLN   6           H        GLN   6  -1.570   5.049  -1.988
   38    HA   GLN   6           HA       GLN   6  -0.727   7.792  -2.185
   39   1HB   GLN   6          HB2       GLN   6  -0.921   5.879   0.033
   40   2HB   GLN   6          HB3       GLN   6  -0.323   7.381   0.267
   41   1HG   GLN   6          HG2       GLN   6  -2.610   7.345   0.814
   42   2HG   GLN   6          HG3       GLN   6  -2.364   8.318  -0.474
   43   1HE2  GLN   6          1HE2      GLN   6  -3.082   4.935   0.134
   44   2HE2  GLN   6          2HE2      GLN   6  -4.405   4.845  -1.025
   45    H    ALA   7           H        ALA   7   1.155   4.880  -2.381
   46    HA   ALA   7           HA       ALA   7   3.644   6.513  -2.241
   47   1HB   ALA   7          HB1       ALA   7   3.290   3.504  -2.001
   48   2HB   ALA   7          HB2       ALA   7   4.809   4.414  -1.837
   49   3HB   ALA   7          HB3       ALA   7   3.518   4.618  -0.637
   50    H    GLY   8           H        GLY   8   1.637   6.499  -4.435
   51   1HA   GLY   8          HA1       GLY   8   1.829   6.697  -6.717
   52   2HA   GLY   8          HA2       GLY   8   3.549   6.319  -6.576
   53    H    GLY   9           H        GLY   9   1.618   3.843  -5.185
   54   1HA   GLY   9          HA1       GLY   9   0.781   1.841  -6.220
   55   2HA   GLY   9          HA2       GLY   9   1.653   2.228  -7.702
   56    H    LYS  10           H        LYS  10   3.761   2.847  -5.058
   57    HA   LYS  10           HA       LYS  10   5.596   0.866  -5.618
   58   1HB   LYS  10          HB2       LYS  10   5.909   2.729  -4.069
   59   2HB   LYS  10          HB3       LYS  10   4.996   1.988  -2.936
   60   1HG   LYS  10          HG2       LYS  10   6.617   0.124  -3.078
   61   2HG   LYS  10          HG3       LYS  10   7.583   1.165  -3.884
   62   1HD   LYS  10          HD2       LYS  10   7.836   2.511  -2.029
   63   2HD   LYS  10          HD3       LYS  10   6.606   1.776  -1.246
   64   1HE   LYS  10          HE2       LYS  10   9.047   0.395  -1.927
   65   2HE   LYS  10          HE3       LYS  10   8.820   1.095  -0.469
   66   1HZ   LYS  10          HZ1       LYS  10   7.213  -1.081  -1.505
   67   2HZ   LYS  10          HZ2       LYS  10   8.344  -1.211  -0.320
   68   3HZ   LYS  10          HZ3       LYS  10   6.970  -0.340  -0.082
   69    H    LEU  11           H        LEU  11   5.890  -1.250  -5.230
   70    HA   LEU  11           HA       LEU  11   3.689  -2.827  -4.123
   71   1HB   LEU  11          HB2       LEU  11   6.306  -3.706  -5.192
   72   2HB   LEU  11          HB3       LEU  11   5.000  -4.653  -4.940
   73    HG   LEU  11           HG       LEU  11   5.214  -2.507  -6.988
   74   1HD1  LEU  11          1HD1      LEU  11   5.092  -4.349  -8.592
   75   2HD1  LEU  11          2HD1      LEU  11   6.476  -4.566  -7.508
   76   3HD1  LEU  11          3HD1      LEU  11   5.003  -5.531  -7.269
   77   1HD2  LEU  11          1HD2      LEU  11   2.892  -2.624  -6.218
   78   2HD2  LEU  11          2HD2      LEU  11   3.023  -3.389  -7.801
   79   3HD2  LEU  11          3HD2      LEU  11   2.905  -4.403  -6.348
   80    H    CYS  12           H        CYS  12   4.354  -4.813  -2.800
   81    HA   CYS  12           HA       CYS  12   5.675  -3.903  -0.305
   82   1HB   CYS  12          HB2       CYS  12   3.733  -6.100  -1.091
   83   2HB   CYS  12          HB3       CYS  12   4.559  -6.136   0.454
   84    HA   PRO  13           HA       PRO  13   9.027  -6.833  -0.819
   85   1HB   PRO  13          HB2       PRO  13   9.382  -7.723   1.671
   86   2HB   PRO  13          HB3       PRO  13   9.789  -6.192   1.273
   87   1HG   PRO  13          HG2       PRO  13   7.359  -7.059   2.599
   88   2HG   PRO  13          HG3       PRO  13   8.310  -5.800   3.020
   89   1HD   PRO  13          HD2       PRO  13   6.171  -5.388   1.582
   90   2HD   PRO  13          HD3       PRO  13   7.503  -4.473   1.343
   91    H    ASN  14           H        ASN  14   9.548  -9.147  -0.315
   92    HA   ASN  14           HA       ASN  14   9.151 -11.293  -0.925
   93   1HB   ASN  14          HB2       ASN  14   7.825 -10.922   1.673
   94   2HB   ASN  14          HB3       ASN  14   8.491 -12.311   1.130
   95   1HD2  ASN  14          1HD2      ASN  14   9.595 -11.970   3.394
   96   2HD2  ASN  14          2HD2      ASN  14  10.963 -10.929   3.384
   97    H    ASN  15           H        ASN  15   6.577  -9.639  -1.750
   98    HA   ASN  15           HA       ASN  15   4.950 -10.231  -3.269
   99   1HB   ASN  15          HB2       ASN  15   4.955 -12.998  -2.270
  100   2HB   ASN  15          HB3       ASN  15   4.152 -12.423  -3.571
  101   1HD2  ASN  15          1HD2      ASN  15   7.134 -13.485  -2.347
  102   2HD2  ASN  15          2HD2      ASN  15   7.945 -13.585  -3.940
  103    H    LEU  16           H        LEU  16   4.830  -9.393  -0.265
  104    HA   LEU  16           HA       LEU  16   2.296 -10.478   0.640
  105   1HB   LEU  16          HB2       LEU  16   3.638  -7.960   1.411
  106   2HB   LEU  16          HB3       LEU  16   2.468  -8.728   2.253
  107    HG   LEU  16           HG       LEU  16   5.289  -9.581   1.932
  108   1HD1  LEU  16          1HD1      LEU  16   5.261  -9.425   4.376
  109   2HD1  LEU  16          2HD1      LEU  16   4.781  -7.879   3.654
  110   3HD1  LEU  16          3HD1      LEU  16   3.557  -8.960   4.360
  111   1HD2  LEU  16          1HD2      LEU  16   2.929 -11.122   3.057
  112   2HD2  LEU  16          2HD2      LEU  16   4.004 -11.622   1.735
  113   3HD2  LEU  16          3HD2      LEU  16   4.620 -11.530   3.392
  114    H    CYS  17           H        CYS  17   0.359  -9.095   1.072
  115    HA   CYS  17           HA       CYS  17  -0.381  -7.613  -1.398
  116   1HB   CYS  17          HB2       CYS  17  -1.760  -9.267   0.601
  117   2HB   CYS  17          HB3       CYS  17  -2.582  -7.764   0.301
  118    H    CYS  18           H        CYS  18  -2.104  -5.723  -0.686
  119    HA   CYS  18           HA       CYS  18  -0.522  -3.852   1.002
  120   1HB   CYS  18          HB2       CYS  18   0.494  -3.811  -1.247
  121   2HB   CYS  18          HB3       CYS  18  -1.095  -3.497  -1.957
  122    H    SER  19           H        SER  19  -1.839  -2.656   2.171
  123    HA   SER  19           HA       SER  19  -4.625  -2.768   2.004
  124   1HB   SER  19          HB2       SER  19  -4.603  -1.404   3.835
  125   2HB   SER  19          HB3       SER  19  -3.127  -2.094   3.938
  126    HG   SER  19           HG       SER  19  -3.178   0.122   4.384
  127    H    GLN  20           H        GLN  20  -6.105  -1.002   1.996
  128    HA   GLN  20           HA       GLN  20  -6.166   0.362  -0.526
  129   1HB   GLN  20          HB2       GLN  20  -7.851   0.707   1.889
  130   2HB   GLN  20          HB3       GLN  20  -8.229   1.234   0.390
  131   1HG   GLN  20          HG2       GLN  20  -9.458  -0.660   0.605
  132   2HG   GLN  20          HG3       GLN  20  -8.175  -1.140  -0.285
  133   1HE2  GLN  20          1HE2      GLN  20  -9.090  -3.379   0.485
  134   2HE2  GLN  20          2HE2      GLN  20  -8.381  -3.903   2.012
  135    H    TRP  21           H        TRP  21  -4.985   1.263   2.648
  136    HA   TRP  21           HA       TRP  21  -4.625   4.087   1.815
  137   1HB   TRP  21          HB2       TRP  21  -4.764   2.779   4.302
  138   2HB   TRP  21          HB3       TRP  21  -3.358   3.604   4.212
  139    HD1  TRP  21           HD       TRP  21  -6.943   4.076   4.779
  140    HE1  TRP  21           HE1      TRP  21  -7.567   6.602   4.882
  141    HE3  TRP  21           HE3      TRP  21  -2.471   6.093   3.296
  142    HZ2  TRP  21           HZ2      TRP  21  -6.378   9.079   4.075
  143    HZ3  TRP  21           HZ3      TRP  21  -2.220   8.530   3.061
  144    HH2  TRP  21           HH       TRP  21  -4.171  10.047   3.409
  145    H    GLY  22           H        GLY  22  -2.719   1.115   2.270
  146   1HA   GLY  22          HA1       GLY  22  -0.948   0.950   0.516
  147   2HA   GLY  22          HA2       GLY  22  -0.397   2.545   1.036
  148    H    TRP  23           H        TRP  23  -1.350  -0.360   2.909
  149    HA   TRP  23           HA       TRP  23   1.452  -0.498   3.961
  150   1HB   TRP  23          HB2       TRP  23  -1.110  -0.548   5.414
  151   2HB   TRP  23          HB3       TRP  23   0.335  -0.885   6.094
  152    HD1  TRP  23           HD       TRP  23  -1.800   1.984   5.064
  153    HE1  TRP  23           HE1      TRP  23  -0.796   4.117   6.176
  154    HE3  TRP  23           HE3      TRP  23   2.822   0.265   6.092
  155    HZ2  TRP  23           HZ2      TRP  23   1.739   5.019   7.063
  156    HZ3  TRP  23           HZ3      TRP  23   4.596   1.785   7.046
  157    HH2  TRP  23           HH       TRP  23   4.077   4.186   7.436
  158    H    CYS  24           H        CYS  24   2.269  -2.537   4.408
  159    HA   CYS  24           HA       CYS  24   1.130  -4.413   2.572
  160   1HB   CYS  24          HB2       CYS  24   3.610  -4.487   4.308
  161   2HB   CYS  24          HB3       CYS  24   3.214  -5.718   3.096
  162    H    GLY  25           H        GLY  25   0.731  -6.610   2.842
  163   1HA   GLY  25          HA1       GLY  25  -0.056  -7.573   5.559
  164   2HA   GLY  25          HA2       GLY  25  -1.277  -7.300   4.317
  165    H    SER  26           H        SER  26   0.894  -9.506   5.631
  166    HA   SER  26           HA       SER  26   0.761 -11.593   3.591
  167   1HB   SER  26          HB2       SER  26   1.053 -11.851   6.531
  168   2HB   SER  26          HB3       SER  26   1.479 -12.955   5.405
  169    HG   SER  26           HG       SER  26   2.699 -10.538   5.963
  170    H    THR  27           H        THR  27  -1.778 -10.390   3.701
  171    HA   THR  27           HA       THR  27  -3.501 -11.988   5.532
  172    HB   THR  27           HB       THR  27  -4.267  -9.834   6.516
  173    HG1  THR  27           HG1      THR  27  -3.677  -8.143   5.515
  174   1HG2  THR  27          1HG2      THR  27  -2.458 -11.189   7.623
  175   2HG2  THR  27          2HG2      THR  27  -1.269 -10.105   6.853
  176   3HG2  THR  27          3HG2      THR  27  -2.452  -9.449   7.990
  177    H    ASP  28           H        ASP  28  -5.846 -10.215   5.313
  178    HA   ASP  28           HA       ASP  28  -6.474 -11.050   2.475
  179   1HB   ASP  28          HB2       ASP  28  -7.278 -12.601   4.136
  180   2HB   ASP  28          HB3       ASP  28  -8.094 -11.420   4.915
  181    H    GLU  29           H        GLU  29  -7.653  -9.126   5.192
  182    HA   GLU  29           HA       GLU  29  -9.352  -7.274   3.889
  183   1HB   GLU  29          HB2       GLU  29  -8.955  -5.989   5.841
  184   2HB   GLU  29          HB3       GLU  29  -9.087  -7.561   6.267
  185   1HG   GLU  29          HG2       GLU  29  -6.772  -5.891   6.426
  186   2HG   GLU  29          HG3       GLU  29  -7.432  -6.808   7.606
  187    H    TYR  30           H        TYR  30  -5.761  -7.154   4.150
  188    HA   TYR  30           HA       TYR  30  -5.664  -4.734   2.458
  189   1HB   TYR  30          HB2       TYR  30  -3.637  -6.435   3.761
  190   2HB   TYR  30          HB3       TYR  30  -3.248  -5.165   2.810
  191    HD1  TYR  30           HD1      TYR  30  -1.835  -4.837   4.998
  192    HD2  TYR  30           HD2      TYR  30  -6.068  -4.107   4.567
  193    HE1  TYR  30           HE1      TYR  30  -1.759  -3.205   6.869
  194    HE2  TYR  30           HE2      TYR  30  -5.996  -2.611   6.535
  195    HH   TYR  30           HH       TYR  30  -2.979  -1.632   8.088
  196    H    CYS  31           H        CYS  31  -6.488  -7.676   1.500
  197    HA   CYS  31           HA       CYS  31  -4.645  -7.715  -0.854
  198   1HB   CYS  31          HB2       CYS  31  -4.258  -9.339   1.084
  199   2HB   CYS  31          HB3       CYS  31  -5.729 -10.153   0.580
  200    H    SER  32           H        SER  32  -7.846  -8.920   0.334
  201    HA   SER  32           HA       SER  32  -8.769  -9.198  -2.482
  202   1HB   SER  32          HB2       SER  32 -10.501 -10.484  -1.452
  203   2HB   SER  32          HB3       SER  32  -9.078 -11.023  -0.858
  204    HG   SER  32           HG       SER  32  -9.701 -10.589   1.040
  205   1HN   NH2  33          HN1       NH2  33  -9.449  -7.513   0.585
  206   2HN   NH2  33          HN2       NH2  33 -10.495  -6.299  -0.121
  207    H1   NAG  34           H1       NAG  34  -8.171  11.062   8.524
  208    H2   NAG  34           H2       NAG  34  -7.642   9.555   5.951
  209    H3   NAG  34           H3       NAG  34  -6.864   8.881   8.816
  210    H4   NAG  34           H4       NAG  34  -5.274   9.608   6.296
  211    H5   NAG  34           H5       NAG  34  -5.793  10.994   8.958
  212   1H6   NAG  34          1H6       NAG  34  -4.600  12.923   7.791
  213   2H6   NAG  34          2H6       NAG  34  -3.894  11.721   6.698
  214   1H8   NAG  34          1H8       NAG  34 -11.671   8.039   6.792
  215   2H8   NAG  34          2H8       NAG  34 -11.141   6.492   6.088
  216   3H8   NAG  34          3H8       NAG  34 -10.822   6.827   7.808
  217    HN2  NAG  34           H2N      NAG  34  -9.746   9.078   8.004
  218    HO1  NAG  34           HO1      NAG  34  -8.619  11.590   5.728
  219    HO3  NAG  34           HO3      NAG  34  -6.071   7.065   7.906
  220    HO6  NAG  34           HO6      NAG  34  -2.723  10.944   8.349
  221    H1   NAG  35           H1       NAG  35  -4.312   7.491   6.487
  222    H2   NAG  35           H2       NAG  35  -1.902   7.705   8.299
  223    H3   NAG  35           H3       NAG  35  -2.618   5.700   6.113
  224    H4   NAG  35           H4       NAG  35  -2.229   5.378   9.124
  225    H5   NAG  35           H5       NAG  35  -4.631   5.145   7.221
  226   1H6   NAG  35          1H6       NAG  35  -4.932   3.540   9.030
  227   2H6   NAG  35          2H6       NAG  35  -6.003   4.923   9.267
  228   1H8   NAG  35          1H8       NAG  35  -1.365  10.354   4.470
  229   2H8   NAG  35          2H8       NAG  35  -0.136  11.027   5.574
  230   3H8   NAG  35          3H8       NAG  35   0.108   9.410   4.854
  231    HN2  NAG  35           H2N      NAG  35  -1.441   7.811   5.392
  232    HO3  NAG  35           HO3      NAG  35  -0.499   6.292   6.101
  233    HO6  NAG  35           HO6      NAG  35  -4.435   5.764  10.726
  234    H1   NAG  36           H1       NAG  36  -2.768   2.969   9.811
  235    H2   NAG  36           H2       NAG  36  -1.726   1.420   7.466
  236    H3   NAG  36           H3       NAG  36  -1.959   0.302  10.246
  237    H4   NAG  36           H4       NAG  36   0.372   1.183   8.449
  238    H5   NAG  36           H5       NAG  36  -0.808   2.134  11.067
  239   1H6   NAG  36          1H6       NAG  36   1.488   2.189  11.553
  240   2H6   NAG  36          2H6       NAG  36   1.135   3.803  10.925
  241   1H8   NAG  36          1H8       NAG  36  -6.214   1.436   7.373
  242   2H8   NAG  36          2H8       NAG  36  -6.017   0.263   6.045
  243   3H8   NAG  36          3H8       NAG  36  -5.905  -0.293   7.731
  244    HN2  NAG  36           H2N      NAG  36  -4.290   0.974   8.995
  245    HO4  NAG  36           HO4      NAG  36   0.902  -0.843   9.581
  246    HO3  NAG  36           HO3      NAG  36  -0.850  -1.382   9.121
  247    HO6  NAG  36           HO6      NAG  36   1.983   3.083   8.920
  Start of MODEL    7
    1   1H    GLU   1           H1       GLU   1   3.052   6.915   2.545
    2   2H    GLU   1           H2       GLU   1   1.557   7.280   3.216
    3   3H    GLU   1           H3       GLU   1   1.683   6.801   1.621
    4    HA   GLU   1           HA       GLU   1   2.002   5.299   4.108
    5   1HB   GLU   1          HB2       GLU   1   0.504   4.491   1.710
    6   2HB   GLU   1          HB3       GLU   1   0.346   3.936   3.238
    7   1HG   GLU   1          HG2       GLU   1  -0.536   6.486   2.238
    8   2HG   GLU   1          HG3       GLU   1  -1.480   5.301   2.849
    9    H    GLN   2           H        GLN   2   2.164   2.663   2.736
   10    HA   GLN   2           HA       GLN   2   5.026   2.971   1.875
   11   1HB   GLN   2          HB2       GLN   2   4.710   2.179   4.127
   12   2HB   GLN   2          HB3       GLN   2   3.843   0.900   3.598
   13   1HG   GLN   2          HG2       GLN   2   6.113   0.366   4.197
   14   2HG   GLN   2          HG3       GLN   2   5.705  -0.087   2.682
   15   1HE2  GLN   2          1HE2      GLN   2   7.762   2.097   4.565
   16   2HE2  GLN   2          2HE2      GLN   2   8.593   2.660   3.118
   17    H    CYS   3           H        CYS   3   1.987   1.788   0.761
   18    HA   CYS   3           HA       CYS   3   3.447   0.955  -1.633
   19   1HB   CYS   3          HB2       CYS   3   2.484  -1.284  -1.755
   20   2HB   CYS   3          HB3       CYS   3   3.408  -1.111  -0.267
   21    H    GLY   4           H        GLY   4   1.857   0.362  -3.402
   22   1HA   GLY   4          HA1       GLY   4  -0.025   0.861  -4.661
   23   2HA   GLY   4          HA2       GLY   4  -0.922   0.938  -3.136
   24    H    ARG   5           H        ARG   5  -2.095   2.547  -4.375
   25    HA   ARG   5           HA       ARG   5  -1.254   4.813  -5.618
   26   1HB   ARG   5          HB2       ARG   5  -3.672   4.879  -3.938
   27   2HB   ARG   5          HB3       ARG   5  -3.430   5.579  -5.393
   28   1HG   ARG   5          HG2       ARG   5  -4.597   3.907  -6.182
   29   2HG   ARG   5          HG3       ARG   5  -3.211   3.056  -6.029
   30   1HD   ARG   5          HD2       ARG   5  -5.595   2.835  -4.503
   31   2HD   ARG   5          HD3       ARG   5  -4.615   1.643  -5.038
   32    HE   ARG   5           HE       ARG   5  -3.867   3.315  -2.783
   33   1HH1  ARG   5          2HH2      ARG   5  -4.622  -0.040  -3.638
   34   2HH1  ARG   5          1HH2      ARG   5  -4.010  -0.563  -2.104
   35   1HH2  ARG   5          2HH1      ARG   5  -2.993   2.519  -1.056
   36   2HH2  ARG   5          1HH1      ARG   5  -3.124   0.828  -0.704
   37    H    GLN   6           H        GLN   6  -2.091   4.830  -2.147
   38    HA   GLN   6           HA       GLN   6  -1.163   7.528  -1.743
   39   1HB   GLN   6          HB2       GLN   6  -1.766   5.506   0.305
   40   2HB   GLN   6          HB3       GLN   6  -1.723   7.126   0.504
   41   1HG   GLN   6          HG2       GLN   6  -3.913   6.862   0.428
   42   2HG   GLN   6          HG3       GLN   6  -3.641   7.041  -1.172
   43   1HE2  GLN   6          1HE2      GLN   6  -5.768   5.479   0.478
   44   2HE2  GLN   6          2HE2      GLN   6  -5.658   3.879  -0.271
   45    H    ALA   7           H        ALA   7   0.765   4.943  -2.395
   46    HA   ALA   7           HA       ALA   7   3.028   6.343  -1.059
   47   1HB   ALA   7          HB1       ALA   7   4.170   4.262  -0.800
   48   2HB   ALA   7          HB2       ALA   7   2.526   4.009  -0.168
   49   3HB   ALA   7          HB3       ALA   7   2.963   3.407  -1.783
   50    H    GLY   8           H        GLY   8   1.523   6.553  -3.821
   51   1HA   GLY   8          HA1       GLY   8   2.340   7.256  -5.877
   52   2HA   GLY   8          HA2       GLY   8   3.989   6.900  -5.354
   53    H    GLY   9           H        GLY   9   1.927   4.208  -4.876
   54   1HA   GLY   9          HA1       GLY   9   1.211   2.539  -6.389
   55   2HA   GLY   9          HA2       GLY   9   2.319   3.136  -7.616
   56    H    LYS  10           H        LYS  10   4.157   2.904  -4.757
   57    HA   LYS  10           HA       LYS  10   5.587   0.743  -5.939
   58   1HB   LYS  10          HB2       LYS  10   7.040   0.869  -4.135
   59   2HB   LYS  10          HB3       LYS  10   6.549   2.404  -4.401
   60   1HG   LYS  10          HG2       LYS  10   5.229   2.383  -2.493
   61   2HG   LYS  10          HG3       LYS  10   5.469   0.780  -2.287
   62   1HD   LYS  10          HD2       LYS  10   7.707   2.569  -2.209
   63   2HD   LYS  10          HD3       LYS  10   6.800   2.356  -0.867
   64   1HE   LYS  10          HE2       LYS  10   8.184   0.206  -2.208
   65   2HE   LYS  10          HE3       LYS  10   8.758   0.956  -0.875
   66   1HZ   LYS  10          HZ1       LYS  10   6.462  -0.772  -1.034
   67   2HZ   LYS  10          HZ2       LYS  10   7.747  -0.922  -0.013
   68   3HZ   LYS  10          HZ3       LYS  10   6.678   0.292   0.215
   69    H    LEU  11           H        LEU  11   6.227  -1.258  -4.982
   70    HA   LEU  11           HA       LEU  11   3.864  -2.836  -4.160
   71   1HB   LEU  11          HB2       LEU  11   6.532  -3.725  -5.087
   72   2HB   LEU  11          HB3       LEU  11   5.200  -4.657  -4.933
   73    HG   LEU  11           HG       LEU  11   5.581  -2.487  -6.932
   74   1HD1  LEU  11          1HD1      LEU  11   6.815  -4.578  -7.406
   75   2HD1  LEU  11          2HD1      LEU  11   5.302  -5.501  -7.270
   76   3HD1  LEU  11          3HD1      LEU  11   5.505  -4.304  -8.567
   77   1HD2  LEU  11          1HD2      LEU  11   3.190  -4.328  -6.458
   78   2HD2  LEU  11          2HD2      LEU  11   3.212  -2.553  -6.299
   79   3HD2  LEU  11          3HD2      LEU  11   3.420  -3.296  -7.885
   80    H    CYS  12           H        CYS  12   4.814  -4.957  -2.930
   81    HA   CYS  12           HA       CYS  12   5.981  -4.014  -0.362
   82   1HB   CYS  12          HB2       CYS  12   3.801  -6.016  -1.088
   83   2HB   CYS  12          HB3       CYS  12   4.512  -5.914   0.515
   84    HA   PRO  13           HA       PRO  13   8.981  -7.115  -0.999
   85   1HB   PRO  13          HB2       PRO  13   9.775  -7.685   1.469
   86   2HB   PRO  13          HB3       PRO  13   9.979  -6.183   0.861
   87   1HG   PRO  13          HG2       PRO  13   7.875  -7.070   2.645
   88   2HG   PRO  13          HG3       PRO  13   8.755  -5.700   2.769
   89   1HD   PRO  13          HD2       PRO  13   6.378  -5.659   1.659
   90   2HD   PRO  13          HD3       PRO  13   7.547  -4.634   1.158
   91    H    ASN  14           H        ASN  14   9.825  -9.273  -0.290
   92    HA   ASN  14           HA       ASN  14   9.655 -11.528  -0.381
   93   1HB   ASN  14          HB2       ASN  14   9.274 -11.714   1.811
   94   2HB   ASN  14          HB3       ASN  14   7.965 -10.738   1.831
   95   1HD2  ASN  14          1HD2      ASN  14   8.891 -13.987   0.664
   96   2HD2  ASN  14          2HD2      ASN  14   7.221 -14.547   0.830
   97    H    ASN  15           H        ASN  15   6.200 -11.167   0.082
   98    HA   ASN  15           HA       ASN  15   5.480 -11.368  -2.708
   99   1HB   ASN  15          HB2       ASN  15   4.547 -13.569  -2.616
  100   2HB   ASN  15          HB3       ASN  15   6.150 -13.654  -2.315
  101   1HD2  ASN  15          1HD2      ASN  15   3.125 -13.422  -0.543
  102   2HD2  ASN  15          2HD2      ASN  15   3.638 -14.590   0.705
  103    H    LEU  16           H        LEU  16   4.917  -9.690  -0.245
  104    HA   LEU  16           HA       LEU  16   2.269 -10.575   0.639
  105   1HB   LEU  16          HB2       LEU  16   3.774  -8.095   1.214
  106   2HB   LEU  16          HB3       LEU  16   2.468  -8.636   2.031
  107    HG   LEU  16           HG       LEU  16   5.117  -9.994   1.997
  108   1HD1  LEU  16          1HD1      LEU  16   5.132  -7.858   3.217
  109   2HD1  LEU  16          2HD1      LEU  16   3.735  -8.398   4.184
  110   3HD1  LEU  16          3HD1      LEU  16   5.293  -9.246   4.310
  111   1HD2  LEU  16          1HD2      LEU  16   2.586 -10.592   3.609
  112   2HD2  LEU  16          2HD2      LEU  16   3.323 -11.621   2.349
  113   3HD2  LEU  16          3HD2      LEU  16   4.177 -11.334   3.858
  114    H    CYS  17           H        CYS  17   0.409  -9.067   0.680
  115    HA   CYS  17           HA       CYS  17  -0.021  -7.719  -1.895
  116   1HB   CYS  17          HB2       CYS  17  -1.989  -7.902   0.362
  117   2HB   CYS  17          HB3       CYS  17  -2.264  -7.745  -1.366
  118    H    CYS  18           H        CYS  18  -1.734  -5.849  -1.088
  119    HA   CYS  18           HA       CYS  18  -0.334  -3.870   0.555
  120   1HB   CYS  18          HB2       CYS  18   0.661  -3.593  -1.701
  121   2HB   CYS  18          HB3       CYS  18  -0.961  -3.490  -2.404
  122    H    SER  19           H        SER  19  -1.839  -2.726   1.637
  123    HA   SER  19           HA       SER  19  -4.581  -3.424   1.415
  124   1HB   SER  19          HB2       SER  19  -4.821  -2.007   3.259
  125   2HB   SER  19          HB3       SER  19  -3.351  -2.698   3.429
  126    HG   SER  19           HG       SER  19  -3.405  -0.533   3.992
  127    H    GLN  20           H        GLN  20  -6.430  -2.125   0.956
  128    HA   GLN  20           HA       GLN  20  -6.548  -0.175  -1.009
  129   1HB   GLN  20          HB2       GLN  20  -8.616   0.405  -0.058
  130   2HB   GLN  20          HB3       GLN  20  -8.434  -1.208   0.126
  131   1HG   GLN  20          HG2       GLN  20  -8.348   0.776   2.197
  132   2HG   GLN  20          HG3       GLN  20  -9.431  -0.438   2.048
  133   1HE2  GLN  20          1HE2      GLN  20  -8.165  -2.796   1.958
  134   2HE2  GLN  20          2HE2      GLN  20  -7.110  -2.945   3.342
  135    H    TRP  21           H        TRP  21  -5.661   0.401   2.447
  136    HA   TRP  21           HA       TRP  21  -5.413   3.255   1.889
  137   1HB   TRP  21          HB2       TRP  21  -5.381   1.635   4.221
  138   2HB   TRP  21          HB3       TRP  21  -4.266   2.827   4.280
  139    HD1  TRP  21           HD       TRP  21  -7.865   2.247   4.645
  140    HE1  TRP  21           HE1      TRP  21  -9.204   4.475   4.675
  141    HE3  TRP  21           HE3      TRP  21  -4.085   5.479   3.446
  142    HZ2  TRP  21           HZ2      TRP  21  -8.718   7.223   4.015
  143    HZ3  TRP  21           HZ3      TRP  21  -4.546   7.901   3.163
  144    HH2  TRP  21           HH       TRP  21  -6.852   8.784   3.427
  145    H    GLY  22           H        GLY  22  -3.117   0.582   1.837
  146   1HA   GLY  22          HA1       GLY  22  -1.269   1.048   0.206
  147   2HA   GLY  22          HA2       GLY  22  -1.059   2.629   0.962
  148    H    TRP  23           H        TRP  23  -1.562  -0.507   2.651
  149    HA   TRP  23           HA       TRP  23   1.305  -0.344   3.534
  150   1HB   TRP  23          HB2       TRP  23  -1.115  -0.763   5.170
  151   2HB   TRP  23          HB3       TRP  23   0.420  -0.824   5.726
  152    HD1  TRP  23           HD       TRP  23  -2.299   1.568   4.916
  153    HE1  TRP  23           HE1      TRP  23  -1.674   3.857   5.990
  154    HE3  TRP  23           HE3      TRP  23   2.672   0.817   5.660
  155    HZ2  TRP  23           HZ2      TRP  23   0.693   5.262   6.691
  156    HZ3  TRP  23           HZ3      TRP  23   4.121   2.651   6.548
  157    HH2  TRP  23           HH       TRP  23   3.143   4.882   7.034
  158    H    CYS  24           H        CYS  24   2.169  -2.475   4.332
  159    HA   CYS  24           HA       CYS  24   1.307  -4.309   2.200
  160   1HB   CYS  24          HB2       CYS  24   3.766  -4.074   3.951
  161   2HB   CYS  24          HB3       CYS  24   3.560  -5.342   2.738
  162    H    GLY  25           H        GLY  25   0.796  -6.502   2.367
  163   1HA   GLY  25          HA1       GLY  25   1.398  -8.133   4.587
  164   2HA   GLY  25          HA2       GLY  25  -0.212  -7.452   4.882
  165    H    SER  26           H        SER  26   0.155 -10.219   4.679
  166    HA   SER  26           HA       SER  26  -1.218 -10.837   2.081
  167   1HB   SER  26          HB2       SER  26  -0.250 -12.995   2.271
  168   2HB   SER  26          HB3       SER  26   0.970 -11.916   2.389
  169    HG   SER  26           HG       SER  26  -0.299 -13.194   4.468
  170    H    THR  27           H        THR  27  -2.869  -9.813   3.845
  171    HA   THR  27           HA       THR  27  -4.457 -12.048   4.944
  172    HB   THR  27           HB       THR  27  -4.740 -10.789   7.081
  173    HG1  THR  27           HG1      THR  27  -4.198  -8.764   6.648
  174   1HG2  THR  27          1HG2      THR  27  -2.611 -11.258   8.114
  175   2HG2  THR  27          2HG2      THR  27  -2.927 -12.557   6.937
  176   3HG2  THR  27          3HG2      THR  27  -1.767 -11.254   6.562
  177    H    ASP  28           H        ASP  28  -6.719 -11.157   5.512
  178    HA   ASP  28           HA       ASP  28  -7.682 -10.280   3.167
  179   1HB   ASP  28          HB2       ASP  28  -9.039  -9.926   5.773
  180   2HB   ASP  28          HB3       ASP  28  -9.761 -10.157   4.326
  181    H    GLU  29           H        GLU  29  -6.869  -8.023   5.807
  182    HA   GLU  29           HA       GLU  29  -8.297  -5.790   4.476
  183   1HB   GLU  29          HB2       GLU  29  -7.885  -4.632   6.413
  184   2HB   GLU  29          HB3       GLU  29  -8.234  -6.136   6.946
  185   1HG   GLU  29          HG2       GLU  29  -5.575  -5.046   6.845
  186   2HG   GLU  29          HG3       GLU  29  -6.483  -5.117   8.200
  187    H    TYR  30           H        TYR  30  -5.058  -7.029   5.076
  188    HA   TYR  30           HA       TYR  30  -3.797  -4.801   3.626
  189   1HB   TYR  30          HB2       TYR  30  -2.739  -7.305   4.734
  190   2HB   TYR  30          HB3       TYR  30  -1.810  -6.256   3.894
  191    HD1  TYR  30           HD1      TYR  30  -2.944  -7.110   7.121
  192    HD2  TYR  30           HD2      TYR  30  -1.685  -3.811   4.675
  193    HE1  TYR  30           HE1      TYR  30  -3.060  -5.618   9.091
  194    HE2  TYR  30           HE2      TYR  30  -1.670  -2.345   6.688
  195    HH   TYR  30           HH       TYR  30  -2.048  -2.215   8.874
  196    H    CYS  31           H        CYS  31  -5.237  -7.790   2.617
  197    HA   CYS  31           HA       CYS  31  -4.009  -7.409  -0.070
  198   1HB   CYS  31          HB2       CYS  31  -4.207  -9.668   1.313
  199   2HB   CYS  31          HB3       CYS  31  -5.818  -9.698   0.598
  200    H    SER  32           H        SER  32  -7.138  -7.013   1.579
  201    HA   SER  32           HA       SER  32  -8.601  -6.357  -0.818
  202   1HB   SER  32          HB2       SER  32  -8.864  -5.345   1.950
  203   2HB   SER  32          HB3       SER  32  -9.904  -4.970   0.747
  204    HG   SER  32           HG       SER  32  -9.401  -7.427   1.872
  205   1HN   NH2  33          HN1       NH2  33  -6.917  -5.347  -2.120
  206   2HN   NH2  33          HN2       NH2  33  -6.536  -3.655  -1.876
  207    H1   NAG  34           H1       NAG  34 -10.292   8.864   8.905
  208    H2   NAG  34           H2       NAG  34  -9.742   7.851   6.119
  209    H3   NAG  34           H3       NAG  34  -8.605   6.958   8.810
  210    H4   NAG  34           H4       NAG  34  -7.341   8.245   6.335
  211    H5   NAG  34           H5       NAG  34  -7.967   9.303   9.135
  212   1H6   NAG  34          1H6       NAG  34  -7.315  11.525   8.014
  213   2H6   NAG  34          2H6       NAG  34  -6.424  10.550   6.835
  214   1H8   NAG  34          1H8       NAG  34 -13.335   5.536   6.667
  215   2H8   NAG  34          2H8       NAG  34 -12.527   4.081   6.032
  216   3H8   NAG  34          3H8       NAG  34 -12.440   4.445   7.774
  217    HN2  NAG  34           H2N      NAG  34 -11.688   6.843   8.053
  218    HO1  NAG  34           HO1      NAG  34 -12.085   8.898   7.448
  219    HO3  NAG  34           HO3      NAG  34  -8.902   5.751   6.368
  220    HO6  NAG  34           HO6      NAG  34  -5.062   9.917   8.432
  221    H1   NAG  35           H1       NAG  35  -5.903   6.377   6.412
  222    H2   NAG  35           H2       NAG  35  -3.699   6.842   8.441
  223    H3   NAG  35           H3       NAG  35  -3.820   4.849   6.143
  224    H4   NAG  35           H4       NAG  35  -3.902   4.389   9.174
  225    H5   NAG  35           H5       NAG  35  -5.904   4.093   6.896
  226   1H6   NAG  35          1H6       NAG  35  -6.356   3.518   9.848
  227   2H6   NAG  35          2H6       NAG  35  -6.237   2.275   8.581
  228   1H8   NAG  35          1H8       NAG  35  -2.968   9.402   4.617
  229   2H8   NAG  35          2H8       NAG  35  -2.323  10.513   5.858
  230   3H8   NAG  35          3H8       NAG  35  -1.460   8.993   5.488
  231    HN2  NAG  35           H2N      NAG  35  -2.891   7.094   5.651
  232    HO3  NAG  35           HO3      NAG  35  -1.831   5.774   6.550
  233    HO6  NAG  35           HO6      NAG  35  -7.966   4.426   8.143
  234    H1   NAG  36           H1       NAG  36  -3.494   1.941   9.733
  235    H2   NAG  36           H2       NAG  36  -1.979   1.034   7.287
  236    H3   NAG  36           H3       NAG  36  -1.734  -0.009  10.110
  237    H4   NAG  36           H4       NAG  36   0.126   1.536   8.225
  238    H5   NAG  36           H5       NAG  36  -1.238   2.214  10.863
  239   1H6   NAG  36          1H6       NAG  36  -0.267   4.511  10.380
  240   2H6   NAG  36          2H6       NAG  36   0.781   3.754   9.174
  241   1H8   NAG  36          1H8       NAG  36  -6.009  -1.053   7.444
  242   2H8   NAG  36          2H8       NAG  36  -5.519  -1.722   5.874
  243   3H8   NAG  36          3H8       NAG  36  -4.888  -2.450   7.373
  244    HN2  NAG  36           H2N      NAG  36  -4.035  -0.583   8.815
  245    HO4  NAG  36           HO4      NAG  36   1.297  -0.084   9.523
  246    HO3  NAG  36           HO3      NAG  36   0.014  -1.105   8.927
  247    HO6  NAG  36           HO6      NAG  36   0.755   3.436  11.984
  Start of MODEL    8
    1   1H    GLU   1           H1       GLU   1   1.177   3.380   1.760
    2   2H    GLU   1           H2       GLU   1   1.788   4.479   0.739
    3   3H    GLU   1           H3       GLU   1   0.711   4.946   1.918
    4    HA   GLU   1           HA       GLU   1   3.003   5.578   2.477
    5   1HB   GLU   1          HB2       GLU   1   1.587   3.702   4.245
    6   2HB   GLU   1          HB3       GLU   1   2.962   4.456   4.700
    7   1HG   GLU   1          HG2       GLU   1   1.411   5.848   5.549
    8   2HG   GLU   1          HG3       GLU   1   1.704   6.557   4.107
    9    H    GLN   2           H        GLN   2   2.751   2.021   3.170
   10    HA   GLN   2           HA       GLN   2   5.605   1.727   2.345
   11   1HB   GLN   2          HB2       GLN   2   3.581  -0.249   3.218
   12   2HB   GLN   2          HB3       GLN   2   5.108  -0.633   2.785
   13   1HG   GLN   2          HG2       GLN   2   5.973   0.548   4.613
   14   2HG   GLN   2          HG3       GLN   2   4.486   1.100   5.002
   15   1HE2  GLN   2          1HE2      GLN   2   6.401  -0.508   6.644
   16   2HE2  GLN   2          2HE2      GLN   2   5.483  -1.938   7.075
   17    H    CYS   3           H        CYS   3   2.355   1.432   1.080
   18    HA   CYS   3           HA       CYS   3   3.379   1.098  -1.639
   19   1HB   CYS   3          HB2       CYS   3   2.048  -0.887  -2.091
   20   2HB   CYS   3          HB3       CYS   3   3.110  -1.225  -0.732
   21    H    GLY   4           H        GLY   4   1.044   0.793  -2.956
   22   1HA   GLY   4          HA1       GLY   4  -1.089   1.532  -3.381
   23   2HA   GLY   4          HA2       GLY   4  -1.236   1.961  -1.674
   24    H    ARG   5           H        ARG   5  -2.539   3.526  -3.058
   25    HA   ARG   5           HA       ARG   5  -1.993   5.570  -4.655
   26   1HB   ARG   5          HB2       ARG   5  -4.024   5.089  -3.441
   27   2HB   ARG   5          HB3       ARG   5  -3.419   5.755  -2.078
   28   1HG   ARG   5          HG2       ARG   5  -3.551   7.888  -2.985
   29   2HG   ARG   5          HG3       ARG   5  -3.928   7.291  -4.458
   30   1HD   ARG   5          HD2       ARG   5  -5.885   8.093  -3.251
   31   2HD   ARG   5          HD3       ARG   5  -6.011   6.520  -3.673
   32    HE   ARG   5           HE       ARG   5  -5.197   7.383  -1.015
   33   1HH1  ARG   5          2HH2      ARG   5  -6.850   4.828  -2.830
   34   2HH1  ARG   5          1HH2      ARG   5  -6.680   3.748  -1.487
   35   1HH2  ARG   5          2HH1      ARG   5  -4.937   5.922   0.483
   36   2HH2  ARG   5          1HH1      ARG   5  -5.631   4.344   0.318
   37    H    GLN   6           H        GLN   6  -1.525   6.289  -1.146
   38    HA   GLN   6           HA       GLN   6  -0.195   8.747  -1.752
   39   1HB   GLN   6          HB2       GLN   6  -0.073   7.250   0.785
   40   2HB   GLN   6          HB3       GLN   6   0.338   8.817   0.578
   41   1HG   GLN   6          HG2       GLN   6  -1.705   8.955   1.529
   42   2HG   GLN   6          HG3       GLN   6  -2.034   9.161  -0.057
   43   1HE2  GLN   6          1HE2      GLN   6  -1.504   6.219   1.959
   44   2HE2  GLN   6          2HE2      GLN   6  -2.932   5.457   1.346
   45    H    ALA   7           H        ALA   7   1.155   5.640  -2.132
   46    HA   ALA   7           HA       ALA   7   3.892   6.826  -2.017
   47   1HB   ALA   7          HB1       ALA   7   3.083   3.957  -1.421
   48   2HB   ALA   7          HB2       ALA   7   4.737   4.598  -1.445
   49   3HB   ALA   7          HB3       ALA   7   3.596   5.180  -0.228
   50    H    GLY   8           H        GLY   8   1.645   6.470  -4.235
   51   1HA   GLY   8          HA1       GLY   8   1.921   6.279  -6.549
   52   2HA   GLY   8          HA2       GLY   8   3.633   5.915  -6.298
   53    H    GLY   9           H        GLY   9   1.137   4.008  -4.722
   54   1HA   GLY   9          HA1       GLY   9   0.134   1.964  -5.320
   55   2HA   GLY   9          HA2       GLY   9   0.954   2.018  -6.879
   56    H    LYS  10           H        LYS  10   3.514   2.070  -6.345
   57    HA   LYS  10           HA       LYS  10   4.920   0.058  -6.395
   58   1HB   LYS  10          HB2       LYS  10   5.790   2.105  -5.355
   59   2HB   LYS  10          HB3       LYS  10   5.388   1.534  -3.878
   60   1HG   LYS  10          HG2       LYS  10   6.736  -0.492  -4.639
   61   2HG   LYS  10          HG3       LYS  10   7.439   0.595  -5.634
   62   1HD   LYS  10          HD2       LYS  10   8.720   0.287  -3.673
   63   2HD   LYS  10          HD3       LYS  10   8.203   1.831  -3.802
   64   1HE   LYS  10          HE2       LYS  10   8.084   0.792  -1.566
   65   2HE   LYS  10          HE3       LYS  10   6.769   1.620  -2.068
   66   1HZ   LYS  10          HZ1       LYS  10   5.611  -0.324  -2.493
   67   2HZ   LYS  10          HZ2       LYS  10   6.889  -1.277  -2.278
   68   3HZ   LYS  10          HZ3       LYS  10   6.203  -0.430  -1.008
   69    H    LEU  11           H        LEU  11   4.444  -2.034  -6.135
   70    HA   LEU  11           HA       LEU  11   3.095  -3.280  -4.049
   71   1HB   LEU  11          HB2       LEU  11   4.992  -4.257  -6.059
   72   2HB   LEU  11          HB3       LEU  11   4.155  -5.256  -5.074
   73    HG   LEU  11           HG       LEU  11   3.099  -5.236  -7.105
   74   1HD1  LEU  11          1HD1      LEU  11   0.842  -4.653  -6.566
   75   2HD1  LEU  11          2HD1      LEU  11   1.618  -5.255  -5.093
   76   3HD1  LEU  11          3HD1      LEU  11   1.354  -3.506  -5.324
   77   1HD2  LEU  11          1HD2      LEU  11   3.920  -3.030  -7.947
   78   2HD2  LEU  11          2HD2      LEU  11   2.233  -3.415  -8.298
   79   3HD2  LEU  11          3HD2      LEU  11   2.589  -2.259  -7.021
   80    H    CYS  12           H        CYS  12   4.100  -5.287  -2.949
   81    HA   CYS  12           HA       CYS  12   5.948  -4.174  -0.919
   82   1HB   CYS  12          HB2       CYS  12   3.628  -6.137  -0.900
   83   2HB   CYS  12          HB3       CYS  12   4.606  -5.782   0.516
   84    HA   PRO  13           HA       PRO  13   8.688  -7.537  -1.441
   85   1HB   PRO  13          HB2       PRO  13   9.895  -7.650   0.906
   86   2HB   PRO  13          HB3       PRO  13   9.940  -6.262   0.046
   87   1HG   PRO  13          HG2       PRO  13   8.143  -6.884   2.245
   88   2HG   PRO  13          HG3       PRO  13   9.029  -5.524   2.066
   89   1HD   PRO  13          HD2       PRO  13   6.530  -5.571   1.295
   90   2HD   PRO  13          HD3       PRO  13   7.624  -4.673   0.480
   91    H    ASN  14           H        ASN  14   9.671  -9.516  -0.361
   92    HA   ASN  14           HA       ASN  14   9.606 -11.704   0.125
   93   1HB   ASN  14          HB2       ASN  14   9.228 -10.675   2.338
   94   2HB   ASN  14          HB3       ASN  14   7.630 -10.979   2.197
   95   1HD2  ASN  14          1HD2      ASN  14   6.757 -13.160   2.688
   96   2HD2  ASN  14          2HD2      ASN  14   7.972 -14.369   3.066
   97    H    ASN  15           H        ASN  15   6.234 -10.920   0.667
   98    HA   ASN  15           HA       ASN  15   5.299 -12.534  -1.595
   99   1HB   ASN  15          HB2       ASN  15   4.216 -14.186  -0.339
  100   2HB   ASN  15          HB3       ASN  15   5.725 -14.134   0.285
  101   1HD2  ASN  15          1HD2      ASN  15   2.475 -13.088   0.808
  102   2HD2  ASN  15          2HD2      ASN  15   2.487 -13.225   2.576
  103    H    LEU  16           H        LEU  16   4.947  -9.685  -0.023
  104    HA   LEU  16           HA       LEU  16   2.306 -10.175   1.100
  105   1HB   LEU  16          HB2       LEU  16   4.044  -7.791   1.172
  106   2HB   LEU  16          HB3       LEU  16   2.710  -8.027   2.084
  107    HG   LEU  16           HG       LEU  16   5.184  -9.662   2.320
  108   1HD1  LEU  16          1HD1      LEU  16   4.094  -7.429   4.086
  109   2HD1  LEU  16          2HD1      LEU  16   5.528  -8.424   4.424
  110   3HD1  LEU  16          3HD1      LEU  16   5.528  -7.323   3.038
  111   1HD2  LEU  16          1HD2      LEU  16   2.744  -9.507   4.125
  112   2HD2  LEU  16          2HD2      LEU  16   3.140 -10.853   3.026
  113   3HD2  LEU  16          3HD2      LEU  16   4.199 -10.484   4.388
  114    H    CYS  17           H        CYS  17   0.638  -8.785   0.984
  115    HA   CYS  17           HA       CYS  17  -0.048  -7.612  -1.645
  116   1HB   CYS  17          HB2       CYS  17  -1.785  -8.255   0.743
  117   2HB   CYS  17          HB3       CYS  17  -2.264  -7.924  -0.930
  118    H    CYS  18           H        CYS  18  -1.968  -5.880  -0.818
  119    HA   CYS  18           HA       CYS  18  -0.423  -3.747   0.549
  120   1HB   CYS  18          HB2       CYS  18   0.361  -3.700  -1.759
  121   2HB   CYS  18          HB3       CYS  18  -1.310  -3.642  -2.345
  122    H    SER  19           H        SER  19  -1.811  -2.874   1.954
  123    HA   SER  19           HA       SER  19  -4.678  -2.989   1.729
  124   1HB   SER  19          HB2       SER  19  -4.698  -1.691   3.602
  125   2HB   SER  19          HB3       SER  19  -3.285  -2.490   3.783
  126    HG   SER  19           HG       SER  19  -3.155  -0.351   4.357
  127    H    GLN  20           H        GLN  20  -6.075  -1.678   0.689
  128    HA   GLN  20           HA       GLN  20  -4.976   0.259  -1.175
  129   1HB   GLN  20          HB2       GLN  20  -7.794  -0.340  -0.555
  130   2HB   GLN  20          HB3       GLN  20  -7.271   0.556  -1.816
  131   1HG   GLN  20          HG2       GLN  20  -7.450  -1.438  -2.836
  132   2HG   GLN  20          HG3       GLN  20  -5.899  -1.532  -2.331
  133   1HE2  GLN  20          1HE2      GLN  20  -5.221  -3.430  -1.015
  134   2HE2  GLN  20          2HE2      GLN  20  -6.553  -4.421  -0.400
  135    H    TRP  21           H        TRP  21  -5.549   0.513   2.116
  136    HA   TRP  21           HA       TRP  21  -5.614   3.425   2.061
  137   1HB   TRP  21          HB2       TRP  21  -5.632   1.625   4.139
  138   2HB   TRP  21          HB3       TRP  21  -4.216   2.427   4.285
  139    HD1  TRP  21           HD       TRP  21  -7.854   2.874   4.736
  140    HE1  TRP  21           HE1      TRP  21  -8.491   5.363   5.082
  141    HE3  TRP  21           HE3      TRP  21  -3.248   5.010   4.015
  142    HZ2  TRP  21           HZ2      TRP  21  -7.236   7.914   4.699
  143    HZ3  TRP  21           HZ3      TRP  21  -3.029   7.455   3.880
  144    HH2  TRP  21           HH       TRP  21  -4.994   8.936   4.249
  145    H    GLY  22           H        GLY  22  -2.899   1.050   2.565
  146   1HA   GLY  22          HA1       GLY  22  -1.155   2.264   0.735
  147   2HA   GLY  22          HA2       GLY  22  -0.998   3.220   2.216
  148    H    TRP  23           H        TRP  23  -1.449  -0.249   2.780
  149    HA   TRP  23           HA       TRP  23   1.392  -0.127   3.760
  150   1HB   TRP  23          HB2       TRP  23  -1.115  -0.828   5.132
  151   2HB   TRP  23          HB3       TRP  23   0.369  -1.055   5.774
  152    HD1  TRP  23           HD       TRP  23  -2.083   1.712   4.969
  153    HE1  TRP  23           HE1      TRP  23  -1.147   3.963   5.948
  154    HE3  TRP  23           HE3      TRP  23   2.533   0.221   6.336
  155    HZ2  TRP  23           HZ2      TRP  23   1.033   4.780   7.582
  156    HZ3  TRP  23           HZ3      TRP  23   4.090   1.740   7.624
  157    HH2  TRP  23           HH       TRP  23   3.327   4.029   8.232
  158    H    CYS  24           H        CYS  24   2.401  -2.227   4.328
  159    HA   CYS  24           HA       CYS  24   1.563  -4.181   2.253
  160   1HB   CYS  24          HB2       CYS  24   4.100  -3.772   3.859
  161   2HB   CYS  24          HB3       CYS  24   3.844  -5.135   2.765
  162    H    GLY  25           H        GLY  25   0.838  -6.242   2.665
  163   1HA   GLY  25          HA1       GLY  25   1.256  -7.481   5.292
  164   2HA   GLY  25          HA2       GLY  25  -0.396  -6.898   5.034
  165    H    SER  26           H        SER  26   0.239  -9.635   5.460
  166    HA   SER  26           HA       SER  26   0.281 -10.869   2.750
  167   1HB   SER  26          HB2       SER  26   1.765 -11.624   4.625
  168   2HB   SER  26          HB3       SER  26   0.452 -12.301   5.321
  169    HG   SER  26           HG       SER  26   0.050 -13.404   3.413
  170    H    THR  27           H        THR  27  -2.214  -9.675   4.329
  171    HA   THR  27           HA       THR  27  -3.914 -12.121   4.420
  172    HB   THR  27           HB       THR  27  -4.746 -11.154   6.572
  173    HG1  THR  27           HG1      THR  27  -4.322  -9.097   6.660
  174   1HG2  THR  27          1HG2      THR  27  -2.803 -11.660   7.920
  175   2HG2  THR  27          2HG2      THR  27  -2.794 -12.776   6.536
  176   3HG2  THR  27          3HG2      THR  27  -1.694 -11.374   6.571
  177    H    ASP  28           H        ASP  28  -6.279 -11.473   4.887
  178    HA   ASP  28           HA       ASP  28  -7.406 -10.652   2.634
  179   1HB   ASP  28          HB2       ASP  28  -8.555 -10.219   5.325
  180   2HB   ASP  28          HB3       ASP  28  -9.395 -10.459   3.944
  181    H    GLU  29           H        GLU  29  -6.714  -8.328   5.282
  182    HA   GLU  29           HA       GLU  29  -8.155  -6.141   4.013
  183   1HB   GLU  29          HB2       GLU  29  -6.049  -5.502   5.887
  184   2HB   GLU  29          HB3       GLU  29  -7.592  -4.967   5.825
  185   1HG   GLU  29          HG2       GLU  29  -7.638  -6.072   7.758
  186   2HG   GLU  29          HG3       GLU  29  -8.116  -7.264   6.748
  187    H    TYR  30           H        TYR  30  -5.205  -7.581   3.306
  188    HA   TYR  30           HA       TYR  30  -4.113  -5.158   1.941
  189   1HB   TYR  30          HB2       TYR  30  -2.778  -7.586   2.980
  190   2HB   TYR  30          HB3       TYR  30  -2.023  -6.336   2.249
  191    HD1  TYR  30           HD1      TYR  30  -3.856  -7.307   5.286
  192    HD2  TYR  30           HD2      TYR  30  -1.307  -4.436   3.380
  193    HE1  TYR  30           HE1      TYR  30  -3.556  -6.127   7.462
  194    HE2  TYR  30           HE2      TYR  30  -1.030  -3.230   5.561
  195    HH   TYR  30           HH       TYR  30  -1.144  -3.655   7.859
  196    H    CYS  31           H        CYS  31  -4.910  -8.621   1.610
  197    HA   CYS  31           HA       CYS  31  -4.187  -8.647  -1.237
  198   1HB   CYS  31          HB2       CYS  31  -5.455 -10.760   0.524
  199   2HB   CYS  31          HB3       CYS  31  -4.741 -10.992  -1.067
  200    H    SER  32           H        SER  32  -7.048  -7.891   0.594
  201    HA   SER  32           HA       SER  32  -9.253  -8.476  -0.784
  202   1HB   SER  32          HB2       SER  32  -9.883  -6.128  -0.421
  203   2HB   SER  32          HB3       SER  32  -9.175  -6.778   0.899
  204    HG   SER  32           HG       SER  32  -8.506  -4.611  -0.243
  205   1HN   NH2  33          HN1       NH2  33  -6.488  -7.400  -2.422
  206   2HN   NH2  33          HN2       NH2  33  -7.254  -6.910  -3.919
  207    H1   NAG  34           H1       NAG  34  -8.842   9.453   9.627
  208    H2   NAG  34           H2       NAG  34  -8.496   8.711   6.715
  209    H3   NAG  34           H3       NAG  34  -7.510   7.304   9.237
  210    H4   NAG  34           H4       NAG  34  -5.994   8.699   6.976
  211    H5   NAG  34           H5       NAG  34  -6.493   9.546   9.866
  212   1H6   NAG  34          1H6       NAG  34  -4.367  10.390   9.420
  213   2H6   NAG  34          2H6       NAG  34  -5.448  11.733   9.042
  214   1H8   NAG  34          1H8       NAG  34 -11.988   5.515   6.472
  215   2H8   NAG  34          2H8       NAG  34 -11.870   5.828   8.222
  216   3H8   NAG  34          3H8       NAG  34 -12.447   7.112   7.110
  217    HN2  NAG  34           H2N      NAG  34 -10.594   7.953   8.547
  218    HO1  NAG  34           HO1      NAG  34 -10.631   9.936   8.249
  219    HO3  NAG  34           HO3      NAG  34  -8.169   6.275   7.022
  220    HO6  NAG  34           HO6      NAG  34  -3.786  10.221   7.452
  221    H1   NAG  35           H1       NAG  35  -4.906   6.575   6.940
  222    H2   NAG  35           H2       NAG  35  -2.678   6.745   8.962
  223    H3   NAG  35           H3       NAG  35  -2.901   4.621   6.827
  224    H4   NAG  35           H4       NAG  35  -3.447   4.189   9.802
  225    H5   NAG  35           H5       NAG  35  -5.222   4.288   7.313
  226   1H6   NAG  35          1H6       NAG  35  -7.058   3.784   8.942
  227   2H6   NAG  35          2H6       NAG  35  -5.828   3.413  10.164
  228   1H8   NAG  35          1H8       NAG  35  -0.761   9.796   5.906
  229   2H8   NAG  35          2H8       NAG  35  -0.003   8.190   6.072
  230   3H8   NAG  35          3H8       NAG  35  -1.272   8.455   4.845
  231    HN2  NAG  35           H2N      NAG  35  -1.829   6.480   6.199
  232    HO3  NAG  35           HO3      NAG  35  -1.296   3.842   8.512
  233    HO6  NAG  35           HO6      NAG  35  -5.027   1.899   8.409
  234    H1   NAG  36           H1       NAG  36  -3.232   1.564  10.189
  235    H2   NAG  36           H2       NAG  36  -1.782   0.925   7.621
  236    H3   NAG  36           H3       NAG  36  -1.592  -0.721  10.159
  237    H4   NAG  36           H4       NAG  36   0.454   1.114   8.837
  238    H5   NAG  36           H5       NAG  36  -1.129   1.444  11.388
  239   1H6   NAG  36          1H6       NAG  36   0.106   3.594  11.555
  240   2H6   NAG  36          2H6       NAG  36   1.101   3.136  10.165
  241   1H8   NAG  36          1H8       NAG  36  -5.320  -1.735   6.015
  242   2H8   NAG  36          2H8       NAG  36  -4.565  -2.564   7.394
  243   3H8   NAG  36          3H8       NAG  36  -5.808  -1.300   7.669
  244    HN2  NAG  36           H2N      NAG  36  -3.793  -0.879   9.004
  245    HO4  NAG  36           HO4      NAG  36   1.389  -0.778   9.979
  246    HO3  NAG  36           HO3      NAG  36  -0.046  -1.768   8.851
  247    HO6  NAG  36           HO6      NAG  36   1.248   1.149  11.869
  Start of MODEL    9
    1   1H    GLU   1           H1       GLU   1   0.271   5.093   1.900
    2   2H    GLU   1           H2       GLU   1   0.988   3.650   2.213
    3   3H    GLU   1           H3       GLU   1   1.261   4.367   0.785
    4    HA   GLU   1           HA       GLU   1   2.407   6.212   1.890
    5   1HB   GLU   1          HB2       GLU   1   1.588   4.715   4.286
    6   2HB   GLU   1          HB3       GLU   1   2.874   5.721   4.321
    7   1HG   GLU   1          HG2       GLU   1   1.188   7.016   5.098
    8   2HG   GLU   1          HG3       GLU   1   1.309   7.467   3.533
    9    H    GLN   2           H        GLN   2   3.055   3.165   3.693
   10    HA   GLN   2           HA       GLN   2   5.662   2.684   2.674
   11   1HB   GLN   2          HB2       GLN   2   4.715   1.528   4.519
   12   2HB   GLN   2          HB3       GLN   2   3.498   0.912   3.620
   13   1HG   GLN   2          HG2       GLN   2   5.065  -0.472   2.477
   14   2HG   GLN   2          HG3       GLN   2   6.260   0.122   3.419
   15   1HE2  GLN   2          1HE2      GLN   2   6.911  -1.584   4.777
   16   2HE2  GLN   2          2HE2      GLN   2   5.731  -2.439   5.772
   17    H    CYS   3           H        CYS   3   2.486   1.513   1.543
   18    HA   CYS   3           HA       CYS   3   3.589   1.301  -1.222
   19   1HB   CYS   3          HB2       CYS   3   2.443  -0.750  -1.608
   20   2HB   CYS   3          HB3       CYS   3   3.413  -0.934  -0.158
   21    H    GLY   4           H        GLY   4   1.418   0.865  -2.652
   22   1HA   GLY   4          HA1       GLY   4  -0.884   1.259  -2.959
   23   2HA   GLY   4          HA2       GLY   4  -0.903   2.345  -1.566
   24    H    ARG   5           H        ARG   5  -2.073   2.746  -4.121
   25    HA   ARG   5           HA       ARG   5  -0.855   4.199  -6.057
   26   1HB   ARG   5          HB2       ARG   5  -3.037   5.275  -6.296
   27   2HB   ARG   5          HB3       ARG   5  -3.074   3.643  -6.236
   28   1HG   ARG   5          HG2       ARG   5  -3.847   5.164  -3.951
   29   2HG   ARG   5          HG3       ARG   5  -4.912   4.905  -5.162
   30   1HD   ARG   5          HD2       ARG   5  -5.495   3.174  -3.935
   31   2HD   ARG   5          HD3       ARG   5  -4.225   2.458  -4.672
   32    HE   ARG   5           HE       ARG   5  -3.468   3.783  -2.267
   33   1HH1  ARG   5          2HH2      ARG   5  -4.696   0.640  -3.424
   34   2HH1  ARG   5          1HH2      ARG   5  -4.280  -0.114  -1.921
   35   1HH2  ARG   5          2HH1      ARG   5  -2.993   2.673  -0.457
   36   2HH2  ARG   5          1HH1      ARG   5  -3.360   0.986  -0.322
   37    H    GLN   6           H        GLN   6  -2.179   5.724  -3.150
   38    HA   GLN   6           HA       GLN   6  -1.499   8.398  -3.839
   39   1HB   GLN   6          HB2       GLN   6  -2.305   8.848  -1.742
   40   2HB   GLN   6          HB3       GLN   6  -3.124   7.494  -2.148
   41   1HG   GLN   6          HG2       GLN   6  -0.847   7.443  -0.410
   42   2HG   GLN   6          HG3       GLN   6  -2.374   7.580   0.152
   43   1HE2  GLN   6          1HE2      GLN   6  -1.399   5.649   1.345
   44   2HE2  GLN   6          2HE2      GLN   6  -2.057   4.225   0.563
   45    H    ALA   7           H        ALA   7   0.573   5.836  -2.839
   46    HA   ALA   7           HA       ALA   7   2.732   7.812  -2.305
   47   1HB   ALA   7          HB1       ALA   7   3.625   6.365  -0.611
   48   2HB   ALA   7          HB2       ALA   7   1.934   6.718  -0.211
   49   3HB   ALA   7          HB3       ALA   7   2.367   5.135  -0.915
   50    H    GLY   8           H        GLY   8   1.835   6.539  -4.836
   51   1HA   GLY   8          HA1       GLY   8   3.199   6.140  -6.685
   52   2HA   GLY   8          HA2       GLY   8   4.579   5.864  -5.622
   53    H    GLY   9           H        GLY   9   1.779   3.970  -4.832
   54   1HA   GLY   9          HA1       GLY   9   1.145   1.789  -5.401
   55   2HA   GLY   9          HA2       GLY   9   2.355   1.766  -6.690
   56    H    LYS  10           H        LYS  10   4.664   2.090  -5.614
   57    HA   LYS  10           HA       LYS  10   6.355   0.592  -4.849
   58   1HB   LYS  10          HB2       LYS  10   5.219   1.979  -2.513
   59   2HB   LYS  10          HB3       LYS  10   6.631   1.161  -2.455
   60   1HG   LYS  10          HG2       LYS  10   7.371   2.637  -4.299
   61   2HG   LYS  10          HG3       LYS  10   6.078   3.564  -3.929
   62   1HD   LYS  10          HD2       LYS  10   7.912   2.915  -1.847
   63   2HD   LYS  10          HD3       LYS  10   8.336   4.083  -2.907
   64   1HE   LYS  10          HE2       LYS  10   7.396   4.925  -0.852
   65   2HE   LYS  10          HE3       LYS  10   6.632   5.461  -2.192
   66   1HZ   LYS  10          HZ1       LYS  10   4.829   4.236  -1.824
   67   2HZ   LYS  10          HZ2       LYS  10   5.618   3.191  -0.775
   68   3HZ   LYS  10          HZ3       LYS  10   5.210   4.687  -0.288
   69    H    LEU  11           H        LEU  11   5.544  -1.457  -5.408
   70    HA   LEU  11           HA       LEU  11   3.766  -2.971  -3.791
   71   1HB   LEU  11          HB2       LEU  11   5.810  -3.947  -5.701
   72   2HB   LEU  11          HB3       LEU  11   4.543  -4.816  -5.146
   73    HG   LEU  11           HG       LEU  11   4.368  -2.422  -6.901
   74   1HD1  LEU  11          1HD1      LEU  11   3.702  -5.347  -7.428
   75   2HD1  LEU  11          2HD1      LEU  11   3.523  -4.000  -8.572
   76   3HD1  LEU  11          3HD1      LEU  11   5.137  -4.486  -8.026
   77   1HD2  LEU  11          1HD2      LEU  11   2.161  -4.188  -5.753
   78   2HD2  LEU  11          2HD2      LEU  11   2.402  -2.451  -5.444
   79   3HD2  LEU  11          3HD2      LEU  11   1.940  -3.003  -7.056
   80    H    CYS  12           H        CYS  12   4.283  -5.114  -2.806
   81    HA   CYS  12           HA       CYS  12   5.982  -4.290  -0.574
   82   1HB   CYS  12          HB2       CYS  12   3.617  -6.150  -0.936
   83   2HB   CYS  12          HB3       CYS  12   4.443  -5.956   0.610
   84    HA   PRO  13           HA       PRO  13   8.990  -7.270  -0.555
   85   1HB   PRO  13          HB2       PRO  13   8.298  -8.202   2.147
   86   2HB   PRO  13          HB3       PRO  13   9.730  -7.651   1.586
   87   1HG   PRO  13          HG2       PRO  13   8.277  -6.057   3.013
   88   2HG   PRO  13          HG3       PRO  13   9.057  -5.441   1.717
   89   1HD   PRO  13          HD2       PRO  13   6.285  -6.228   1.882
   90   2HD   PRO  13          HD3       PRO  13   6.893  -4.898   1.155
   91    H    ASN  14           H        ASN  14   9.624  -9.342  -0.836
   92    HA   ASN  14           HA       ASN  14   9.583 -11.439  -1.619
   93   1HB   ASN  14          HB2       ASN  14   9.431 -11.595   0.889
   94   2HB   ASN  14          HB3       ASN  14   7.889 -12.098   0.692
   95   1HD2  ASN  14          1HD2      ASN  14   7.436 -14.332   0.166
   96   2HD2  ASN  14          2HD2      ASN  14   8.821 -15.351  -0.225
   97    H    ASN  15           H        ASN  15   6.269 -11.129  -0.462
   98    HA   ASN  15           HA       ASN  15   5.098 -11.716  -3.069
   99   1HB   ASN  15          HB2       ASN  15   4.155 -13.821  -2.443
  100   2HB   ASN  15          HB3       ASN  15   5.776 -13.926  -2.272
  101   1HD2  ASN  15          1HD2      ASN  15   2.851 -13.345  -0.466
  102   2HD2  ASN  15          2HD2      ASN  15   3.438 -14.166   1.008
  103    H    LEU  16           H        LEU  16   4.898  -9.731  -0.609
  104    HA   LEU  16           HA       LEU  16   2.254 -10.420   0.440
  105   1HB   LEU  16          HB2       LEU  16   4.163  -8.235   0.995
  106   2HB   LEU  16          HB3       LEU  16   2.739  -8.406   1.777
  107    HG   LEU  16           HG       LEU  16   5.025 -10.312   1.895
  108   1HD1  LEU  16          1HD1      LEU  16   5.082  -9.662   4.256
  109   2HD1  LEU  16          2HD1      LEU  16   5.254  -8.222   3.235
  110   3HD1  LEU  16          3HD1      LEU  16   3.696  -8.575   4.027
  111   1HD2  LEU  16          1HD2      LEU  16   2.257 -10.419   3.129
  112   2HD2  LEU  16          2HD2      LEU  16   2.983 -11.627   2.037
  113   3HD2  LEU  16          3HD2      LEU  16   3.615 -11.426   3.675
  114    H    CYS  17           H        CYS  17   0.680  -8.808   0.801
  115    HA   CYS  17           HA       CYS  17  -0.203  -7.536  -1.714
  116   1HB   CYS  17          HB2       CYS  17  -1.613  -8.060   0.929
  117   2HB   CYS  17          HB3       CYS  17  -2.346  -7.513  -0.571
  118    H    CYS  18           H        CYS  18  -1.760  -5.565  -1.013
  119    HA   CYS  18           HA       CYS  18  -0.335  -3.644   0.699
  120   1HB   CYS  18          HB2       CYS  18   0.696  -3.357  -1.520
  121   2HB   CYS  18          HB3       CYS  18  -0.908  -3.244  -2.260
  122    H    SER  19           H        SER  19  -1.787  -2.398   1.752
  123    HA   SER  19           HA       SER  19  -4.480  -3.217   1.676
  124   1HB   SER  19          HB2       SER  19  -4.737  -1.731   3.500
  125   2HB   SER  19          HB3       SER  19  -3.314  -2.516   3.659
  126    HG   SER  19           HG       SER  19  -3.171  -0.430   4.290
  127    H    GLN  20           H        GLN  20  -6.254  -1.632   2.003
  128    HA   GLN  20           HA       GLN  20  -6.841  -0.208  -0.466
  129   1HB   GLN  20          HB2       GLN  20  -8.323   0.143   2.053
  130   2HB   GLN  20          HB3       GLN  20  -8.885   0.235   0.522
  131   1HG   GLN  20          HG2       GLN  20  -9.814  -1.675   1.349
  132   2HG   GLN  20          HG3       GLN  20  -8.582  -2.204   0.416
  133   1HE2  GLN  20          1HE2      GLN  20  -8.904  -4.295   1.824
  134   2HE2  GLN  20          2HE2      GLN  20  -7.857  -4.207   3.264
  135    H    TRP  21           H        TRP  21  -5.850   0.590   2.863
  136    HA   TRP  21           HA       TRP  21  -5.718   3.428   2.344
  137   1HB   TRP  21          HB2       TRP  21  -5.497   1.902   4.609
  138   2HB   TRP  21          HB3       TRP  21  -4.034   2.614   4.469
  139    HD1  TRP  21           HD       TRP  21  -7.164   3.225   5.989
  140    HE1  TRP  21           HE1      TRP  21  -7.581   5.765   6.421
  141    HE3  TRP  21           HE3      TRP  21  -3.334   5.258   3.243
  142    HZ2  TRP  21           HZ2      TRP  21  -6.769   8.243   5.249
  143    HZ3  TRP  21           HZ3      TRP  21  -3.193   7.687   2.907
  144    HH2  TRP  21           HH       TRP  21  -4.947   9.198   3.834
  145    H    GLY  22           H        GLY  22  -2.919   1.161   2.895
  146   1HA   GLY  22          HA1       GLY  22  -1.307   2.340   0.797
  147   2HA   GLY  22          HA2       GLY  22  -1.170   3.310   2.252
  148    H    TRP  23           H        TRP  23  -1.478  -0.196   2.836
  149    HA   TRP  23           HA       TRP  23   1.438  -0.135   3.558
  150   1HB   TRP  23          HB2       TRP  23  -0.862  -0.717   5.304
  151   2HB   TRP  23          HB3       TRP  23   0.707  -0.858   5.733
  152    HD1  TRP  23           HD       TRP  23  -1.971   1.694   5.196
  153    HE1  TRP  23           HE1      TRP  23  -1.244   3.851   6.434
  154    HE3  TRP  23           HE3      TRP  23   2.934   0.614   6.001
  155    HZ2  TRP  23           HZ2      TRP  23   1.162   5.076   7.296
  156    HZ3  TRP  23           HZ3      TRP  23   4.489   2.359   6.894
  157    HH2  TRP  23           HH       TRP  23   3.618   4.610   7.498
  158    H    CYS  24           H        CYS  24   2.415  -2.173   4.022
  159    HA   CYS  24           HA       CYS  24   1.408  -4.121   2.124
  160   1HB   CYS  24          HB2       CYS  24   3.830  -4.027   3.952
  161   2HB   CYS  24          HB3       CYS  24   3.535  -5.318   2.778
  162    H    GLY  25           H        GLY  25   0.956  -6.401   2.543
  163   1HA   GLY  25          HA1       GLY  25   1.015  -7.419   5.260
  164   2HA   GLY  25          HA2       GLY  25  -0.621  -6.952   4.802
  165    H    SER  26           H        SER  26  -0.284  -9.499   5.515
  166    HA   SER  26           HA       SER  26   0.158 -11.134   3.049
  167   1HB   SER  26          HB2       SER  26   1.086 -12.697   4.506
  168   2HB   SER  26          HB3       SER  26   1.668 -11.284   5.083
  169    HG   SER  26           HG       SER  26  -0.462 -12.727   6.053
  170    H    THR  27           H        THR  27  -2.548 -10.033   3.756
  171    HA   THR  27           HA       THR  27  -4.123 -12.430   4.195
  172    HB   THR  27           HB       THR  27  -3.252 -12.454   6.367
  173    HG1  THR  27           HG1      THR  27  -5.462 -10.869   6.932
  174   1HG2  THR  27          1HG2      THR  27  -2.069 -10.368   6.533
  175   2HG2  THR  27          2HG2      THR  27  -3.577  -9.434   6.415
  176   3HG2  THR  27          3HG2      THR  27  -3.248 -10.420   7.853
  177    H    ASP  28           H        ASP  28  -6.354 -11.694   5.065
  178    HA   ASP  28           HA       ASP  28  -7.560 -10.678   2.745
  179   1HB   ASP  28          HB2       ASP  28  -8.679 -12.017   4.414
  180   2HB   ASP  28          HB3       ASP  28  -8.689 -10.779   5.479
  181    H    GLU  29           H        GLU  29  -7.089  -8.920   5.825
  182    HA   GLU  29           HA       GLU  29  -8.415  -6.526   4.896
  183   1HB   GLU  29          HB2       GLU  29  -6.461  -5.971   6.865
  184   2HB   GLU  29          HB3       GLU  29  -8.083  -5.793   6.926
  185   1HG   GLU  29          HG2       GLU  29  -7.556  -7.130   8.700
  186   2HG   GLU  29          HG3       GLU  29  -8.194  -8.142   7.588
  187    H    TYR  30           H        TYR  30  -5.311  -7.776   4.128
  188    HA   TYR  30           HA       TYR  30  -4.437  -5.104   3.088
  189   1HB   TYR  30          HB2       TYR  30  -2.883  -7.400   4.079
  190   2HB   TYR  30          HB3       TYR  30  -2.213  -6.152   3.266
  191    HD1  TYR  30           HD1      TYR  30  -1.587  -4.118   4.315
  192    HD2  TYR  30           HD2      TYR  30  -3.995  -7.042   6.361
  193    HE1  TYR  30           HE1      TYR  30  -1.664  -2.656   6.328
  194    HE2  TYR  30           HE2      TYR  30  -4.078  -5.577   8.353
  195    HH   TYR  30           HH       TYR  30  -2.463  -2.387   8.411
  196    H    CYS  31           H        CYS  31  -5.395  -8.322   2.146
  197    HA   CYS  31           HA       CYS  31  -4.325  -7.909  -0.595
  198   1HB   CYS  31          HB2       CYS  31  -5.717 -10.234   0.757
  199   2HB   CYS  31          HB3       CYS  31  -5.076 -10.239  -0.879
  200    H    SER  32           H        SER  32  -7.426  -7.822   1.135
  201    HA   SER  32           HA       SER  32  -8.919  -7.827  -1.408
  202   1HB   SER  32          HB2       SER  32  -9.757  -7.766   1.422
  203   2HB   SER  32          HB3       SER  32 -10.808  -7.698   0.174
  204    HG   SER  32           HG       SER  32  -9.988  -9.827   1.200
  205   1HN   NH2  33          HN1       NH2  33  -8.389  -5.950  -2.485
  206   2HN   NH2  33          HN2       NH2  33  -8.811  -4.361  -1.883
  207    H1   NAG  34           H1       NAG  34  -8.491   9.150  11.118
  208    H2   NAG  34           H2       NAG  34  -9.217   8.306   8.307
  209    H3   NAG  34           H3       NAG  34  -7.066   7.087  10.047
  210    H4   NAG  34           H4       NAG  34  -6.586   8.769   7.587
  211    H5   NAG  34           H5       NAG  34  -6.320   9.579  10.527
  212   1H6   NAG  34          1H6       NAG  34  -6.058  11.896   9.422
  213   2H6   NAG  34          2H6       NAG  34  -5.616  11.019   7.949
  214   1H8   NAG  34          1H8       NAG  34 -10.531   4.195  11.275
  215   2H8   NAG  34          2H8       NAG  34 -11.023   5.773  11.938
  216   3H8   NAG  34          3H8       NAG  34 -11.661   5.218  10.356
  217    HN2  NAG  34           H2N      NAG  34 -10.708   7.485  10.180
  218    HO1  NAG  34           HO1      NAG  34 -10.714   9.289  10.514
  219    HO3  NAG  34           HO3      NAG  34  -7.848   5.701   8.648
  220    HO6  NAG  34           HO6      NAG  34  -3.825  10.245   8.992
  221    H1   NAG  35           H1       NAG  35  -5.262   6.795   7.249
  222    H2   NAG  35           H2       NAG  35  -2.635   7.130   8.694
  223    H3   NAG  35           H3       NAG  35  -3.296   5.136   6.496
  224    H4   NAG  35           H4       NAG  35  -2.727   4.669   9.472
  225    H5   NAG  35           H5       NAG  35  -5.169   4.421   7.667
  226   1H6   NAG  35          1H6       NAG  35  -5.210   3.774  10.628
  227   2H6   NAG  35          2H6       NAG  35  -5.017   2.543   9.367
  228   1H8   NAG  35          1H8       NAG  35  -1.041   9.150   5.300
  229   2H8   NAG  35          2H8       NAG  35  -2.668   9.623   4.738
  230   3H8   NAG  35          3H8       NAG  35  -1.745  10.710   5.810
  231    HN2  NAG  35           H2N      NAG  35  -2.481   7.311   5.781
  232    HO3  NAG  35           HO3      NAG  35  -1.279   5.972   6.441
  233    HO6  NAG  35           HO6      NAG  35  -7.278   4.079   9.902
  234    H1   NAG  36           H1       NAG  36  -2.909   2.134   9.983
  235    H2   NAG  36           H2       NAG  36  -1.706   0.955   7.495
  236    H3   NAG  36           H3       NAG  36  -1.662  -0.368  10.188
  237    H4   NAG  36           H4       NAG  36   0.463   0.980   8.417
  238    H5   NAG  36           H5       NAG  36  -0.812   1.577  11.103
  239   1H6   NAG  36          1H6       NAG  36   1.410   2.026  11.600
  240   2H6   NAG  36          2H6       NAG  36   0.816   3.577  10.998
  241   1H8   NAG  36          1H8       NAG  36  -5.270  -1.801   7.646
  242   2H8   NAG  36          2H8       NAG  36  -6.078  -0.202   7.569
  243   3H8   NAG  36          3H8       NAG  36  -5.670  -1.081   6.074
  244    HN2  NAG  36           H2N      NAG  36  -4.102  -0.072   9.024
  245    HO4  NAG  36           HO4      NAG  36   1.308  -0.993   9.448
  246    HO3  NAG  36           HO3      NAG  36  -0.340  -1.765   8.907
  247    HO6  NAG  36           HO6      NAG  36   1.797   3.026   8.985
  Start of MODEL   10
    1   1H    GLU   1           H1       GLU   1   2.689   6.749   3.918
    2   2H    GLU   1           H2       GLU   1   3.161   6.623   2.331
    3   3H    GLU   1           H3       GLU   1   4.233   6.252   3.518
    4    HA   GLU   1           HA       GLU   1   2.735   4.474   4.271
    5   1HB   GLU   1          HB2       GLU   1   1.544   4.567   1.606
    6   2HB   GLU   1          HB3       GLU   1   0.998   3.826   2.955
    7   1HG   GLU   1          HG2       GLU   1   0.770   6.625   2.337
    8   2HG   GLU   1          HG3       GLU   1  -0.461   5.563   2.498
    9    H    GLN   2           H        GLN   2   2.819   2.237   2.668
   10    HA   GLN   2           HA       GLN   2   5.697   2.219   1.845
   11   1HB   GLN   2          HB2       GLN   2   3.743   0.120   2.553
   12   2HB   GLN   2          HB3       GLN   2   5.137  -0.251   1.787
   13   1HG   GLN   2          HG2       GLN   2   6.411   0.415   3.575
   14   2HG   GLN   2          HG3       GLN   2   5.155   1.192   4.270
   15   1HE2  GLN   2          1HE2      GLN   2   6.960  -0.865   5.435
   16   2HE2  GLN   2          2HE2      GLN   2   5.863  -2.110   5.982
   17    H    CYS   3           H        CYS   3   2.459   1.416   0.632
   18    HA   CYS   3           HA       CYS   3   3.574   0.980  -2.109
   19   1HB   CYS   3          HB2       CYS   3   2.444  -1.209  -2.125
   20   2HB   CYS   3          HB3       CYS   3   3.600  -1.101  -0.803
   21    H    GLY   4           H        GLY   4   1.739   0.446  -3.668
   22   1HA   GLY   4          HA1       GLY   4  -0.279   0.952  -4.673
   23   2HA   GLY   4          HA2       GLY   4  -0.948   1.144  -3.047
   24    H    ARG   5           H        ARG   5  -2.238   2.692  -4.231
   25    HA   ARG   5           HA       ARG   5  -1.585   4.916  -5.662
   26   1HB   ARG   5          HB2       ARG   5  -3.672   5.020  -3.592
   27   2HB   ARG   5          HB3       ARG   5  -3.653   5.778  -5.038
   28   1HG   ARG   5          HG2       ARG   5  -5.251   4.207  -5.232
   29   2HG   ARG   5          HG3       ARG   5  -3.974   3.609  -6.057
   30   1HD   ARG   5          HD2       ARG   5  -5.399   2.178  -4.447
   31   2HD   ARG   5          HD3       ARG   5  -3.844   1.827  -4.801
   32    HE   ARG   5           HE       ARG   5  -4.022   3.509  -2.506
   33   1HH1  ARG   5          2HH2      ARG   5  -4.445   0.088  -3.279
   34   2HH1  ARG   5          1HH2      ARG   5  -3.873  -0.362  -1.707
   35   1HH2  ARG   5          2HH1      ARG   5  -3.170   2.820  -0.673
   36   2HH2  ARG   5          1HH1      ARG   5  -3.176   1.132  -0.284
   37    H    GLN   6           H        GLN   6  -2.002   5.030  -2.108
   38    HA   GLN   6           HA       GLN   6  -1.104   7.726  -1.876
   39   1HB   GLN   6          HB2       GLN   6  -1.330   5.617   0.176
   40   2HB   GLN   6          HB3       GLN   6  -1.147   7.210   0.485
   41   1HG   GLN   6          HG2       GLN   6  -3.341   7.108   0.715
   42   2HG   GLN   6          HG3       GLN   6  -3.298   7.352  -0.900
   43   1HE2  GLN   6          1HE2      GLN   6  -5.295   5.948   0.925
   44   2HE2  GLN   6          2HE2      GLN   6  -5.441   4.352   0.187
   45    H    ALA   7           H        ALA   7   0.878   4.946  -2.420
   46    HA   ALA   7           HA       ALA   7   3.225   6.478  -1.352
   47   1HB   ALA   7          HB1       ALA   7   3.075   3.602  -2.316
   48   2HB   ALA   7          HB2       ALA   7   4.454   4.399  -1.532
   49   3HB   ALA   7          HB3       ALA   7   2.966   4.107  -0.612
   50    H    GLY   8           H        GLY   8   1.382   6.419  -4.123
   51   1HA   GLY   8          HA1       GLY   8   1.862   6.912  -6.325
   52   2HA   GLY   8          HA2       GLY   8   3.551   7.193  -5.884
   53    H    GLY   9           H        GLY   9   1.597   4.248  -5.435
   54   1HA   GLY   9          HA1       GLY   9   1.346   2.422  -6.855
   55   2HA   GLY   9          HA2       GLY   9   2.470   3.163  -7.988
   56    H    LYS  10           H        LYS  10   3.815   2.713  -4.800
   57    HA   LYS  10           HA       LYS  10   5.646   0.701  -5.911
   58   1HB   LYS  10          HB2       LYS  10   5.504   2.184  -3.427
   59   2HB   LYS  10          HB3       LYS  10   6.141   0.687  -3.282
   60   1HG   LYS  10          HG2       LYS  10   7.872   2.233  -3.706
   61   2HG   LYS  10          HG3       LYS  10   7.740   1.205  -4.967
   62   1HD   LYS  10          HD2       LYS  10   8.054   3.384  -5.797
   63   2HD   LYS  10          HD3       LYS  10   6.542   2.899  -6.179
   64   1HE   LYS  10          HE2       LYS  10   5.723   4.054  -4.234
   65   2HE   LYS  10          HE3       LYS  10   7.235   4.610  -3.962
   66   1HZ   LYS  10          HZ1       LYS  10   7.166   5.906  -5.893
   67   2HZ   LYS  10          HZ2       LYS  10   5.718   5.215  -6.328
   68   3HZ   LYS  10          HZ3       LYS  10   5.778   6.161  -5.001
   69    H    LEU  11           H        LEU  11   6.106  -1.317  -4.873
   70    HA   LEU  11           HA       LEU  11   3.614  -2.875  -4.330
   71   1HB   LEU  11          HB2       LEU  11   6.246  -3.802  -5.326
   72   2HB   LEU  11          HB3       LEU  11   4.888  -4.701  -5.198
   73    HG   LEU  11           HG       LEU  11   5.297  -2.449  -7.100
   74   1HD1  LEU  11          1HD1      LEU  11   6.503  -4.525  -7.683
   75   2HD1  LEU  11          2HD1      LEU  11   4.982  -5.440  -7.576
   76   3HD1  LEU  11          3HD1      LEU  11   5.185  -4.187  -8.818
   77   1HD2  LEU  11          1HD2      LEU  11   2.931  -2.524  -6.444
   78   2HD2  LEU  11          2HD2      LEU  11   3.119  -3.180  -8.071
   79   3HD2  LEU  11          3HD2      LEU  11   2.890  -4.287  -6.702
   80    H    CYS  12           H        CYS  12   4.480  -5.075  -3.144
   81    HA   CYS  12           HA       CYS  12   5.668  -4.120  -0.584
   82   1HB   CYS  12          HB2       CYS  12   3.439  -6.035  -1.302
   83   2HB   CYS  12          HB3       CYS  12   4.249  -6.131   0.256
   84    HA   PRO  13           HA       PRO  13   8.766  -7.120  -1.043
   85   1HB   PRO  13          HB2       PRO  13   9.576  -7.460   1.451
   86   2HB   PRO  13          HB3       PRO  13   9.652  -5.973   0.781
   87   1HG   PRO  13          HG2       PRO  13   7.599  -6.971   2.574
   88   2HG   PRO  13          HG3       PRO  13   8.366  -5.533   2.668
   89   1HD   PRO  13          HD2       PRO  13   6.017  -5.725   1.503
   90   2HD   PRO  13          HD3       PRO  13   7.108  -4.617   1.005
   91    H    ASN  14           H        ASN  14   9.673  -9.186  -0.203
   92    HA   ASN  14           HA       ASN  14   9.687 -11.394   0.172
   93   1HB   ASN  14          HB2       ASN  14   8.572 -10.343   2.301
   94   2HB   ASN  14          HB3       ASN  14   7.314 -11.287   1.862
   95   1HD2  ASN  14          1HD2      ASN  14   7.578 -13.715   1.772
   96   2HD2  ASN  14          2HD2      ASN  14   8.949 -14.317   2.698
   97    H    ASN  15           H        ASN  15   6.261 -10.761   0.145
   98    HA   ASN  15           HA       ASN  15   5.555 -11.894  -2.373
   99   1HB   ASN  15          HB2       ASN  15   4.584 -13.977  -1.588
  100   2HB   ASN  15          HB3       ASN  15   6.197 -13.978  -1.330
  101   1HD2  ASN  15          1HD2      ASN  15   3.153 -13.400   0.241
  102   2HD2  ASN  15          2HD2      ASN  15   3.694 -14.004   1.835
  103    H    LEU  16           H        LEU  16   4.868  -9.583  -0.455
  104    HA   LEU  16           HA       LEU  16   2.248 -10.426   0.617
  105   1HB   LEU  16          HB2       LEU  16   4.039  -8.140   1.178
  106   2HB   LEU  16          HB3       LEU  16   2.648  -8.446   1.977
  107    HG   LEU  16           HG       LEU  16   4.998 -10.283   1.977
  108   1HD1  LEU  16          1HD1      LEU  16   5.337  -9.519   4.285
  109   2HD1  LEU  16          2HD1      LEU  16   5.422  -8.140   3.173
  110   3HD1  LEU  16          3HD1      LEU  16   3.957  -8.413   4.136
  111   1HD2  LEU  16          1HD2      LEU  16   2.435 -10.255   3.597
  112   2HD2  LEU  16          2HD2      LEU  16   2.873 -11.485   2.390
  113   3HD2  LEU  16          3HD2      LEU  16   3.807 -11.344   3.888
  114    H    CYS  17           H        CYS  17   0.615  -8.762   0.863
  115    HA   CYS  17           HA       CYS  17  -0.004  -7.487  -1.760
  116   1HB   CYS  17          HB2       CYS  17  -1.446  -9.355  -0.447
  117   2HB   CYS  17          HB3       CYS  17  -2.066  -7.949   0.375
  118    H    CYS  18           H        CYS  18  -1.697  -5.562  -1.280
  119    HA   CYS  18           HA       CYS  18  -0.306  -3.695   0.605
  120   1HB   CYS  18          HB2       CYS  18   0.488  -3.446  -1.736
  121   2HB   CYS  18          HB3       CYS  18  -1.185  -3.203  -2.262
  122    H    SER  19           H        SER  19  -1.630  -2.608   1.892
  123    HA   SER  19           HA       SER  19  -4.412  -3.032   1.983
  124   1HB   SER  19          HB2       SER  19  -4.348  -1.686   3.836
  125   2HB   SER  19          HB3       SER  19  -2.833  -2.295   3.801
  126    HG   SER  19           HG       SER  19  -2.889  -0.128   4.315
  127    H    GLN  20           H        GLN  20  -6.015  -1.250   2.264
  128    HA   GLN  20           HA       GLN  20  -6.339   0.253  -0.196
  129   1HB   GLN  20          HB2       GLN  20  -7.865   0.482   2.327
  130   2HB   GLN  20          HB3       GLN  20  -8.347   0.983   0.848
  131   1HG   GLN  20          HG2       GLN  20  -9.510  -0.940   1.149
  132   2HG   GLN  20          HG3       GLN  20  -8.263  -1.403   0.201
  133   1HE2  GLN  20          1HE2      GLN  20  -8.967  -3.641   1.032
  134   2HE2  GLN  20          2HE2      GLN  20  -8.203  -4.089   2.568
  135    H    TRP  21           H        TRP  21  -4.862   0.905   2.912
  136    HA   TRP  21           HA       TRP  21  -4.792   3.816   2.360
  137   1HB   TRP  21          HB2       TRP  21  -4.696   2.312   4.698
  138   2HB   TRP  21          HB3       TRP  21  -3.307   3.166   4.599
  139    HD1  TRP  21           HD       TRP  21  -6.619   3.507   5.876
  140    HE1  TRP  21           HE1      TRP  21  -7.218   5.998   6.311
  141    HE3  TRP  21           HE3      TRP  21  -2.718   5.783   3.491
  142    HZ2  TRP  21           HZ2      TRP  21  -6.479   8.558   5.186
  143    HZ3  TRP  21           HZ3      TRP  21  -2.695   8.237   3.161
  144    HH2  TRP  21           HH       TRP  21  -4.587   9.633   3.988
  145    H    GLY  22           H        GLY  22  -2.645   0.990   2.242
  146   1HA   GLY  22          HA1       GLY  22  -0.976   1.341   0.322
  147   2HA   GLY  22          HA2       GLY  22  -0.494   2.814   1.164
  148    H    TRP  23           H        TRP  23  -1.207  -0.288   2.860
  149    HA   TRP  23           HA       TRP  23   1.730  -0.366   3.509
  150   1HB   TRP  23          HB2       TRP  23  -0.550  -0.578   5.352
  151   2HB   TRP  23          HB3       TRP  23   1.025  -0.720   5.760
  152    HD1  TRP  23           HD       TRP  23  -1.558   1.835   4.909
  153    HE1  TRP  23           HE1      TRP  23  -0.689   4.199   5.643
  154    HE3  TRP  23           HE3      TRP  23   3.294   0.725   5.655
  155    HZ2  TRP  23           HZ2      TRP  23   1.683   5.298   6.728
  156    HZ3  TRP  23           HZ3      TRP  23   4.917   2.446   6.537
  157    HH2  TRP  23           HH       TRP  23   4.098   4.732   7.083
  158    H    CYS  24           H        CYS  24   2.579  -2.421   4.144
  159    HA   CYS  24           HA       CYS  24   1.370  -4.317   2.336
  160   1HB   CYS  24          HB2       CYS  24   3.922  -4.310   3.951
  161   2HB   CYS  24          HB3       CYS  24   3.508  -5.576   2.785
  162    H    GLY  25           H        GLY  25   0.813  -6.516   2.629
  163   1HA   GLY  25          HA1       GLY  25   0.451  -7.497   5.423
  164   2HA   GLY  25          HA2       GLY  25  -0.997  -7.126   4.478
  165    H    SER  26           H        SER  26  -0.185  -9.706   5.587
  166    HA   SER  26           HA       SER  26   0.218 -11.313   3.091
  167   1HB   SER  26          HB2       SER  26   1.114 -12.938   4.432
  168   2HB   SER  26          HB3       SER  26   1.685 -11.595   5.165
  169    HG   SER  26           HG       SER  26  -0.506 -13.072   5.932
  170    H    THR  27           H        THR  27  -2.355 -10.006   4.038
  171    HA   THR  27           HA       THR  27  -4.009 -12.370   4.769
  172    HB   THR  27           HB       THR  27  -4.849 -10.990   6.670
  173    HG1  THR  27           HG1      THR  27  -4.439  -8.989   6.317
  174   1HG2  THR  27          1HG2      THR  27  -1.807 -11.132   6.819
  175   2HG2  THR  27          2HG2      THR  27  -2.974 -11.214   8.142
  176   3HG2  THR  27          3HG2      THR  27  -2.860 -12.565   6.991
  177    H    ASP  28           H        ASP  28  -6.273 -12.031   4.618
  178    HA   ASP  28           HA       ASP  28  -6.865 -11.017   2.137
  179   1HB   ASP  28          HB2       ASP  28  -8.833 -11.706   4.233
  180   2HB   ASP  28          HB3       ASP  28  -9.012 -11.866   2.618
  181    H    GLU  29           H        GLU  29  -7.213  -9.243   5.177
  182    HA   GLU  29           HA       GLU  29  -9.267  -7.429   4.038
  183   1HB   GLU  29          HB2       GLU  29  -9.372  -6.504   6.136
  184   2HB   GLU  29          HB3       GLU  29  -9.261  -8.109   6.415
  185   1HG   GLU  29          HG2       GLU  29  -7.104  -6.251   6.811
  186   2HG   GLU  29          HG3       GLU  29  -8.036  -6.850   8.011
  187    H    TYR  30           H        TYR  30  -5.846  -7.531   4.905
  188    HA   TYR  30           HA       TYR  30  -5.148  -4.921   3.834
  189   1HB   TYR  30          HB2       TYR  30  -3.728  -7.368   4.507
  190   2HB   TYR  30          HB3       TYR  30  -2.992  -6.392   3.424
  191    HD1  TYR  30           HD1      TYR  30  -4.363  -6.483   6.824
  192    HD2  TYR  30           HD2      TYR  30  -1.757  -4.486   4.042
  193    HE1  TYR  30           HE1      TYR  30  -3.605  -4.919   8.629
  194    HE2  TYR  30           HE2      TYR  30  -1.066  -2.899   5.825
  195    HH   TYR  30           HH       TYR  30  -1.186  -2.368   8.054
  196    H    CYS  31           H        CYS  31  -5.254  -8.209   2.335
  197    HA   CYS  31           HA       CYS  31  -4.314  -7.123  -0.139
  198   1HB   CYS  31          HB2       CYS  31  -4.059  -9.470   0.765
  199   2HB   CYS  31          HB3       CYS  31  -5.690  -9.794   0.184
  200    H    SER  32           H        SER  32  -7.606  -7.586   1.096
  201    HA   SER  32           HA       SER  32  -9.094  -7.360  -1.283
  202   1HB   SER  32          HB2       SER  32  -9.635  -6.268   1.408
  203   2HB   SER  32          HB3       SER  32 -10.721  -6.186   0.191
  204    HG   SER  32           HG       SER  32  -9.640  -8.470   1.315
  205   1HN   NH2  33          HN1       NH2  33  -7.220  -6.022  -2.361
  206   2HN   NH2  33          HN2       NH2  33  -7.505  -4.296  -2.432
  207    H1   NAG  34           H1       NAG  34  -8.060   9.478  10.861
  208    H2   NAG  34           H2       NAG  34  -8.939   8.442   8.154
  209    H3   NAG  34           H3       NAG  34  -6.850   7.247   9.989
  210    H4   NAG  34           H4       NAG  34  -6.242   8.651   7.400
  211    H5   NAG  34           H5       NAG  34  -5.877   9.988  10.097
  212   1H6   NAG  34          1H6       NAG  34  -4.414  10.701   8.130
  213   2H6   NAG  34          2H6       NAG  34  -5.471  11.976   8.763
  214   1H8   NAG  34          1H8       NAG  34 -10.575   4.635  11.287
  215   2H8   NAG  34          2H8       NAG  34 -10.784   6.259  11.987
  216   3H8   NAG  34          3H8       NAG  34 -11.634   5.811  10.472
  217    HN2  NAG  34           H2N      NAG  34 -10.392   7.925  10.214
  218    HO1  NAG  34           HO1      NAG  34 -10.320   9.621  10.409
  219    HO3  NAG  34           HO3      NAG  34  -7.701   5.825   8.625
  220    HO6  NAG  34           HO6      NAG  34  -6.996  11.298   7.150
  221    H1   NAG  35           H1       NAG  35  -4.901   6.705   7.361
  222    H2   NAG  35           H2       NAG  35  -2.341   7.191   8.878
  223    H3   NAG  35           H3       NAG  35  -2.895   5.221   6.634
  224    H4   NAG  35           H4       NAG  35  -2.343   4.756   9.611
  225    H5   NAG  35           H5       NAG  35  -4.902   4.406   7.989
  226   1H6   NAG  35          1H6       NAG  35  -4.744   2.679   9.738
  227   2H6   NAG  35          2H6       NAG  35  -5.954   3.900  10.162
  228   1H8   NAG  35          1H8       NAG  35  -0.845  10.542   6.074
  229   2H8   NAG  35          2H8       NAG  35  -0.878   9.019   5.147
  230   3H8   NAG  35          3H8       NAG  35  -2.357  10.038   5.275
  231    HN2  NAG  35           H2N      NAG  35  -2.696   7.575   5.898
  232    HO3  NAG  35           HO3      NAG  35  -0.866   5.905   6.579
  233    HO6  NAG  35           HO6      NAG  35  -4.311   4.916  11.418
  234    H1   NAG  36           H1       NAG  36  -2.265   2.184  10.079
  235    H2   NAG  36           H2       NAG  36  -1.152   1.361   7.407
  236    H3   NAG  36           H3       NAG  36  -0.721  -0.090  10.031
  237    H4   NAG  36           H4       NAG  36   1.158   1.510   8.232
  238    H5   NAG  36           H5       NAG  36   0.075   2.111  10.991
  239   1H6   NAG  36          1H6       NAG  36   1.277   4.289  10.638
  240   2H6   NAG  36          2H6       NAG  36   2.051   3.609   9.204
  241   1H8   NAG  36          1H8       NAG  36  -4.325  -1.859   7.802
  242   2H8   NAG  36          2H8       NAG  36  -5.333  -0.385   7.896
  243   3H8   NAG  36          3H8       NAG  36  -5.005  -1.149   6.321
  244    HN2  NAG  36           H2N      NAG  36  -3.155  -0.171   9.100
  245    HO4  NAG  36           HO4      NAG  36   2.208  -0.331   9.361
  246    HO3  NAG  36           HO3      NAG  36   0.639  -1.311   8.524
  247    HO6  NAG  36           HO6      NAG  36   2.396   2.854  11.911
  Start of MODEL   11
    1   1H    GLU   1           H1       GLU   1   1.868   5.647   5.294
    2   2H    GLU   1           H2       GLU   1   3.422   5.729   4.710
    3   3H    GLU   1           H3       GLU   1   3.054   4.681   5.919
    4    HA   GLU   1           HA       GLU   1   1.664   3.380   4.482
    5   1HB   GLU   1          HB2       GLU   1   2.290   5.544   2.595
    6   2HB   GLU   1          HB3       GLU   1   1.959   4.046   2.035
    7   1HG   GLU   1          HG2       GLU   1  -0.062   5.093   1.995
    8   2HG   GLU   1          HG3       GLU   1  -0.123   4.189   3.354
    9    H    GLN   2           H        GLN   2   2.574   1.748   3.080
   10    HA   GLN   2           HA       GLN   2   5.568   1.794   2.822
   11   1HB   GLN   2          HB2       GLN   2   3.676  -0.462   3.134
   12   2HB   GLN   2          HB3       GLN   2   5.235  -0.659   2.689
   13   1HG   GLN   2          HG2       GLN   2   6.008  -0.099   4.762
   14   2HG   GLN   2          HG3       GLN   2   4.594   0.596   5.189
   15   1HE2  GLN   2          1HE2      GLN   2   6.369  -2.439   5.091
   16   2HE2  GLN   2          2HE2      GLN   2   5.012  -3.367   5.714
   17    H    CYS   3           H        CYS   3   2.455   1.482   1.122
   18    HA   CYS   3           HA       CYS   3   3.903   0.806  -1.369
   19   1HB   CYS   3          HB2       CYS   3   2.643  -1.316  -1.542
   20   2HB   CYS   3          HB3       CYS   3   3.610  -1.268  -0.070
   21    H    GLY   4           H        GLY   4   2.659   0.650  -3.234
   22   1HA   GLY   4          HA1       GLY   4   0.996   1.167  -4.744
   23   2HA   GLY   4          HA2       GLY   4  -0.086   0.606  -3.483
   24    H    ARG   5           H        ARG   5  -0.731   2.248  -1.873
   25    HA   ARG   5           HA       ARG   5  -1.858   4.560  -3.369
   26   1HB   ARG   5          HB2       ARG   5  -2.634   3.028  -1.053
   27   2HB   ARG   5          HB3       ARG   5  -2.806   4.636  -0.823
   28   1HG   ARG   5          HG2       ARG   5  -4.053   4.615  -2.988
   29   2HG   ARG   5          HG3       ARG   5  -4.157   3.000  -2.765
   30   1HD   ARG   5          HD2       ARG   5  -6.099   3.978  -1.860
   31   2HD   ARG   5          HD3       ARG   5  -5.198   3.415  -0.619
   32    HE   ARG   5           HE       ARG   5  -4.453   6.059  -1.082
   33   1HH1  ARG   5          2HH2      ARG   5  -7.117   4.360   0.501
   34   2HH1  ARG   5          1HH2      ARG   5  -7.385   5.701   1.564
   35   1HH2  ARG   5          2HH1      ARG   5  -4.826   7.627   0.247
   36   2HH2  ARG   5          1HH1      ARG   5  -6.096   7.536   1.422
   37    H    GLN   6           H        GLN   6  -1.318   6.591  -3.000
   38    HA   GLN   6           HA       GLN   6  -0.036   8.384  -2.597
   39   1HB   GLN   6          HB2       GLN   6   0.291   7.203   0.081
   40   2HB   GLN   6          HB3       GLN   6   0.838   8.686  -0.331
   41   1HG   GLN   6          HG2       GLN   6  -1.167   9.162   0.617
   42   2HG   GLN   6          HG3       GLN   6  -1.534   9.150  -0.974
   43   1HE2  GLN   6          1HE2      GLN   6  -1.388   6.981   1.797
   44   2HE2  GLN   6          2HE2      GLN   6  -2.667   5.913   1.264
   45    H    ALA   7           H        ALA   7   1.699   5.460  -1.463
   46    HA   ALA   7           HA       ALA   7   4.290   6.386  -2.344
   47   1HB   ALA   7          HB1       ALA   7   4.983   4.096  -1.762
   48   2HB   ALA   7          HB2       ALA   7   3.954   4.790  -0.494
   49   3HB   ALA   7          HB3       ALA   7   3.279   3.608  -1.635
   50    H    GLY   8           H        GLY   8   2.743   6.861  -4.497
   51   1HA   GLY   8          HA1       GLY   8   2.775   6.682  -6.805
   52   2HA   GLY   8          HA2       GLY   8   4.422   6.159  -6.476
   53    H    GLY   9           H        GLY   9   1.729   4.005  -5.615
   54   1HA   GLY   9          HA1       GLY   9   1.011   2.048  -6.699
   55   2HA   GLY   9          HA2       GLY   9   1.978   2.464  -8.105
   56    H    LYS  10           H        LYS  10   4.062   2.689  -5.465
   57    HA   LYS  10           HA       LYS  10   5.584   0.455  -6.426
   58   1HB   LYS  10          HB2       LYS  10   6.300   2.624  -5.329
   59   2HB   LYS  10          HB3       LYS  10   6.049   1.886  -3.894
   60   1HG   LYS  10          HG2       LYS  10   7.840   0.785  -5.835
   61   2HG   LYS  10          HG3       LYS  10   8.351   1.889  -4.745
   62   1HD   LYS  10          HD2       LYS  10   7.377  -0.735  -4.086
   63   2HD   LYS  10          HD3       LYS  10   8.947  -0.286  -4.061
   64   1HE   LYS  10          HE2       LYS  10   8.599   0.086  -1.921
   65   2HE   LYS  10          HE3       LYS  10   7.903   1.474  -2.426
   66   1HZ   LYS  10          HZ1       LYS  10   6.496  -0.974  -1.906
   67   2HZ   LYS  10          HZ2       LYS  10   6.445   0.359  -0.924
   68   3HZ   LYS  10          HZ3       LYS  10   5.773   0.368  -2.427
   69    H    LEU  11           H        LEU  11   5.037  -1.608  -6.066
   70    HA   LEU  11           HA       LEU  11   3.189  -2.488  -4.128
   71   1HB   LEU  11          HB2       LEU  11   5.140  -4.096  -5.663
   72   2HB   LEU  11          HB3       LEU  11   3.786  -4.670  -4.954
   73    HG   LEU  11           HG       LEU  11   3.879  -2.811  -7.273
   74   1HD1  LEU  11          1HD1      LEU  11   4.430  -5.167  -7.787
   75   2HD1  LEU  11          2HD1      LEU  11   2.903  -5.685  -7.042
   76   3HD1  LEU  11          3HD1      LEU  11   2.885  -4.676  -8.502
   77   1HD2  LEU  11          1HD2      LEU  11   1.913  -2.250  -5.935
   78   2HD2  LEU  11          2HD2      LEU  11   1.404  -3.165  -7.352
   79   3HD2  LEU  11          3HD2      LEU  11   1.485  -3.976  -5.774
   80    H    CYS  12           H        CYS  12   3.735  -4.652  -2.822
   81    HA   CYS  12           HA       CYS  12   5.421  -3.718  -0.603
   82   1HB   CYS  12          HB2       CYS  12   3.404  -5.930  -1.048
   83   2HB   CYS  12          HB3       CYS  12   4.355  -5.844   0.424
   84    HA   PRO  13           HA       PRO  13   8.730  -6.479  -1.286
   85   1HB   PRO  13          HB2       PRO  13   9.603  -7.005   1.171
   86   2HB   PRO  13          HB3       PRO  13   9.678  -5.487   0.572
   87   1HG   PRO  13          HG2       PRO  13   7.659  -6.553   2.363
   88   2HG   PRO  13          HG3       PRO  13   8.441  -5.127   2.506
   89   1HD   PRO  13          HD2       PRO  13   6.069  -5.211   1.410
   90   2HD   PRO  13          HD3       PRO  13   7.176  -4.132   0.883
   91    H    ASN  14           H        ASN  14   9.692  -8.519  -0.889
   92    HA   ASN  14           HA       ASN  14   9.796 -10.734  -1.089
   93   1HB   ASN  14          HB2       ASN  14   9.396 -10.326   1.399
   94   2HB   ASN  14          HB3       ASN  14   7.942 -11.033   1.164
   95   1HD2  ASN  14          1HD2      ASN  14   7.770 -13.398   0.763
   96   2HD2  ASN  14          2HD2      ASN  14   9.287 -14.280   0.885
   97    H    ASN  15           H        ASN  15   6.424 -10.340  -0.195
   98    HA   ASN  15           HA       ASN  15   5.334 -11.146  -2.727
   99   1HB   ASN  15          HB2       ASN  15   4.545 -13.320  -2.138
  100   2HB   ASN  15          HB3       ASN  15   6.166 -13.310  -1.945
  101   1HD2  ASN  15          1HD2      ASN  15   3.175 -13.012  -0.197
  102   2HD2  ASN  15          2HD2      ASN  15   3.798 -13.797   1.283
  103    H    LEU  16           H        LEU  16   4.889  -9.170  -0.259
  104    HA   LEU  16           HA       LEU  16   2.352 -10.212   0.786
  105   1HB   LEU  16          HB2       LEU  16   3.911  -7.772   1.363
  106   2HB   LEU  16          HB3       LEU  16   2.550  -8.201   2.157
  107    HG   LEU  16           HG       LEU  16   5.122  -9.691   2.200
  108   1HD1  LEU  16          1HD1      LEU  16   5.051  -7.587   3.544
  109   2HD1  LEU  16          2HD1      LEU  16   3.602  -8.194   4.381
  110   3HD1  LEU  16          3HD1      LEU  16   5.156  -9.031   4.568
  111   1HD2  LEU  16          1HD2      LEU  16   2.461 -10.254   3.575
  112   2HD2  LEU  16          2HD2      LEU  16   3.285 -11.304   2.391
  113   3HD2  LEU  16          3HD2      LEU  16   4.017 -11.044   3.980
  114    H    CYS  17           H        CYS  17   0.551  -8.790   1.114
  115    HA   CYS  17           HA       CYS  17  -0.378  -7.536  -1.396
  116   1HB   CYS  17          HB2       CYS  17  -1.765  -8.247   1.220
  117   2HB   CYS  17          HB3       CYS  17  -2.532  -7.628  -0.235
  118    H    CYS  18           H        CYS  18  -1.978  -5.583  -0.766
  119    HA   CYS  18           HA       CYS  18  -0.553  -3.637   0.937
  120   1HB   CYS  18          HB2       CYS  18   0.484  -3.547  -1.340
  121   2HB   CYS  18          HB3       CYS  18  -1.116  -3.251  -2.023
  122    H    SER  19           H        SER  19  -1.947  -2.212   1.837
  123    HA   SER  19           HA       SER  19  -4.665  -2.996   1.871
  124   1HB   SER  19          HB2       SER  19  -4.842  -1.453   3.615
  125   2HB   SER  19          HB3       SER  19  -3.313  -2.016   3.726
  126    HG   SER  19           HG       SER  19  -3.524   0.205   4.036
  127    H    GLN  20           H        GLN  20  -6.418  -1.432   2.084
  128    HA   GLN  20           HA       GLN  20  -7.003   0.096  -0.292
  129   1HB   GLN  20          HB2       GLN  20  -8.356   0.169   2.341
  130   2HB   GLN  20          HB3       GLN  20  -8.979   0.659   0.912
  131   1HG   GLN  20          HG2       GLN  20 -10.001  -1.332   1.294
  132   2HG   GLN  20          HG3       GLN  20  -8.831  -1.701   0.216
  133   1HE2  GLN  20          1HE2      GLN  20  -9.385  -4.067   1.144
  134   2HE2  GLN  20          2HE2      GLN  20  -8.278  -4.412   2.456
  135    H    TRP  21           H        TRP  21  -4.905   0.820   2.293
  136    HA   TRP  21           HA       TRP  21  -5.233   3.721   1.736
  137   1HB   TRP  21          HB2       TRP  21  -5.585   2.521   4.174
  138   2HB   TRP  21          HB3       TRP  21  -4.150   3.295   4.278
  139    HD1  TRP  21           HD       TRP  21  -7.759   3.862   4.159
  140    HE1  TRP  21           HE1      TRP  21  -8.324   6.425   4.208
  141    HE3  TRP  21           HE3      TRP  21  -3.036   5.769   3.712
  142    HZ2  TRP  21           HZ2      TRP  21  -6.923   8.879   3.695
  143    HZ3  TRP  21           HZ3      TRP  21  -2.684   8.193   3.405
  144    HH2  TRP  21           HH       TRP  21  -4.578   9.741   3.302
  145    H    GLY  22           H        GLY  22  -2.968   1.095   1.850
  146   1HA   GLY  22          HA1       GLY  22  -1.022   1.744   0.333
  147   2HA   GLY  22          HA2       GLY  22  -0.745   3.085   1.422
  148    H    TRP  23           H        TRP  23  -1.653  -0.034   2.849
  149    HA   TRP  23           HA       TRP  23   1.162  -0.133   3.925
  150   1HB   TRP  23          HB2       TRP  23  -1.469  -0.389   5.224
  151   2HB   TRP  23          HB3       TRP  23  -0.053  -0.720   5.969
  152    HD1  TRP  23           HD       TRP  23  -2.246   2.130   5.018
  153    HE1  TRP  23           HE1      TRP  23  -1.405   4.229   6.338
  154    HE3  TRP  23           HE3      TRP  23   2.369   0.527   6.244
  155    HZ2  TRP  23           HZ2      TRP  23   0.876   5.005   7.807
  156    HZ3  TRP  23           HZ3      TRP  23   3.910   1.930   7.670
  157    HH2  TRP  23           HH       TRP  23   3.118   4.122   8.542
  158    H    CYS  24           H        CYS  24   2.015  -2.248   4.525
  159    HA   CYS  24           HA       CYS  24   0.964  -4.145   2.556
  160   1HB   CYS  24          HB2       CYS  24   3.464  -4.131   4.254
  161   2HB   CYS  24          HB3       CYS  24   3.076  -5.397   3.088
  162    H    GLY  25           H        GLY  25   0.627  -6.434   2.918
  163   1HA   GLY  25          HA1       GLY  25   0.592  -7.462   5.666
  164   2HA   GLY  25          HA2       GLY  25  -1.019  -7.149   5.012
  165    H    SER  26           H        SER  26  -0.216  -9.689   5.831
  166    HA   SER  26           HA       SER  26   0.303 -11.253   3.356
  167   1HB   SER  26          HB2       SER  26  -0.027 -12.299   6.096
  168   2HB   SER  26          HB3       SER  26   0.764 -12.988   4.844
  169    HG   SER  26           HG       SER  26   2.425 -11.650   5.057
  170    H    THR  27           H        THR  27  -2.438  -9.944   4.540
  171    HA   THR  27           HA       THR  27  -3.960 -12.466   4.938
  172    HB   THR  27           HB       THR  27  -4.834 -11.202   6.923
  173    HG1  THR  27           HG1      THR  27  -4.572  -9.142   6.445
  174   1HG2  THR  27          1HG2      THR  27  -2.682 -12.615   7.080
  175   2HG2  THR  27          2HG2      THR  27  -1.780 -11.085   6.897
  176   3HG2  THR  27          3HG2      THR  27  -2.853 -11.309   8.282
  177    H    ASP  28           H        ASP  28  -6.311 -12.243   4.994
  178    HA   ASP  28           HA       ASP  28  -7.154 -11.586   2.539
  179   1HB   ASP  28          HB2       ASP  28  -8.895 -11.729   4.923
  180   2HB   ASP  28          HB3       ASP  28  -9.310 -12.106   3.389
  181    H    GLU  29           H        GLU  29  -7.236  -9.242   5.220
  182    HA   GLU  29           HA       GLU  29  -9.096  -7.488   3.717
  183   1HB   GLU  29          HB2       GLU  29  -9.142  -6.176   5.584
  184   2HB   GLU  29          HB3       GLU  29  -9.187  -7.698   6.176
  185   1HG   GLU  29          HG2       GLU  29  -6.864  -6.006   6.262
  186   2HG   GLU  29          HG3       GLU  29  -7.867  -6.254   7.526
  187    H    TYR  30           H        TYR  30  -5.680  -7.758   4.661
  188    HA   TYR  30           HA       TYR  30  -4.897  -5.352   3.173
  189   1HB   TYR  30          HB2       TYR  30  -3.402  -7.586   4.346
  190   2HB   TYR  30          HB3       TYR  30  -2.649  -6.498   3.389
  191    HD1  TYR  30           HD1      TYR  30  -2.239  -4.196   4.060
  192    HD2  TYR  30           HD2      TYR  30  -4.116  -7.071   6.635
  193    HE1  TYR  30           HE1      TYR  30  -2.133  -2.579   5.965
  194    HE2  TYR  30           HE2      TYR  30  -4.184  -5.393   8.470
  195    HH   TYR  30           HH       TYR  30  -2.722  -2.175   8.151
  196    H    CYS  31           H        CYS  31  -5.468  -8.685   2.204
  197    HA   CYS  31           HA       CYS  31  -4.453  -8.166  -0.523
  198   1HB   CYS  31          HB2       CYS  31  -5.793 -10.561   0.764
  199   2HB   CYS  31          HB3       CYS  31  -5.108 -10.516  -0.856
  200    H    SER  32           H        SER  32  -7.540  -8.051   1.145
  201    HA   SER  32           HA       SER  32  -8.701  -6.745  -1.226
  202   1HB   SER  32          HB2       SER  32  -9.595  -9.398  -0.309
  203   2HB   SER  32          HB3       SER  32 -10.660  -8.363  -0.987
  204    HG   SER  32           HG       SER  32  -8.275  -8.885  -2.243
  205   1HN   NH2  33          HN1       NH2  33  -9.134  -8.065   2.064
  206   2HN   NH2  33          HN2       NH2  33 -10.005  -6.674   2.670
  207    H1   NAG  34           H1       NAG  34  -9.544  10.532   7.986
  208    H2   NAG  34           H2       NAG  34  -8.503   9.342   5.402
  209    H3   NAG  34           H3       NAG  34  -8.354   8.290   8.253
  210    H4   NAG  34           H4       NAG  34  -6.252   9.221   6.219
  211    H5   NAG  34           H5       NAG  34  -7.303  10.284   8.876
  212   1H6   NAG  34          1H6       NAG  34  -5.043  10.826   8.992
  213   2H6   NAG  34          2H6       NAG  34  -5.829  12.276   8.365
  214   1H8   NAG  34          1H8       NAG  34 -12.050   6.482   4.424
  215   2H8   NAG  34          2H8       NAG  34 -12.078   6.564   6.205
  216   3H8   NAG  34          3H8       NAG  34 -12.664   7.949   5.225
  217    HN2  NAG  34           H2N      NAG  34 -11.003   8.727   6.900
  218    HO1  NAG  34           HO1      NAG  34  -9.906  12.304   6.541
  219    HO3  NAG  34           HO3      NAG  34  -7.416   6.559   7.315
  220    HO6  NAG  34           HO6      NAG  34  -3.879  10.762   7.345
  221    H1   NAG  35           H1       NAG  35  -5.352   7.066   6.381
  222    H2   NAG  35           H2       NAG  35  -3.399   7.199   8.678
  223    H3   NAG  35           H3       NAG  35  -3.445   5.179   6.406
  224    H4   NAG  35           H4       NAG  35  -4.053   4.714   9.362
  225    H5   NAG  35           H5       NAG  35  -5.722   4.622   6.798
  226   1H6   NAG  35          1H6       NAG  35  -6.512   2.842   8.166
  227   2H6   NAG  35          2H6       NAG  35  -7.619   4.199   8.417
  228   1H8   NAG  35          1H8       NAG  35  -0.800  10.200   6.291
  229   2H8   NAG  35          2H8       NAG  35  -0.759   8.610   5.482
  230   3H8   NAG  35          3H8       NAG  35  -1.978   9.831   5.009
  231    HN2  NAG  35           H2N      NAG  35  -2.472   7.239   5.857
  232    HO3  NAG  35           HO3      NAG  35  -1.929   4.468   8.385
  233    HO6  NAG  35           HO6      NAG  35  -7.073   3.248  10.384
  234    H1   NAG  36           H1       NAG  36  -3.917   2.193   9.794
  235    H2   NAG  36           H2       NAG  36  -2.300   1.298   7.406
  236    H3   NAG  36           H3       NAG  36  -2.482  -0.175  10.031
  237    H4   NAG  36           H4       NAG  36  -0.150   1.331   8.753
  238    H5   NAG  36           H5       NAG  36  -1.926   2.010  11.141
  239   1H6   NAG  36          1H6       NAG  36  -0.557   4.172  11.056
  240   2H6   NAG  36          2H6       NAG  36   0.635   3.286  10.096
  241   1H8   NAG  36          1H8       NAG  36  -6.117  -0.751   5.541
  242   2H8   NAG  36          2H8       NAG  36  -5.512  -1.809   6.839
  243   3H8   NAG  36          3H8       NAG  36  -6.538  -0.396   7.229
  244    HN2  NAG  36           H2N      NAG  36  -4.598  -0.249   8.634
  245    HO4  NAG  36           HO4      NAG  36   0.439  -0.554  10.078
  246    HO3  NAG  36           HO3      NAG  36  -0.677  -1.176   8.710
  247    HO6  NAG  36           HO6      NAG  36   1.352   2.499  11.900
  Start of MODEL   12
    1   1H    GLU   1           H1       GLU   1   5.067   3.998   5.334
    2   2H    GLU   1           H2       GLU   1   3.767   5.001   5.599
    3   3H    GLU   1           H3       GLU   1   4.710   5.212   4.257
    4    HA   GLU   1           HA       GLU   1   3.000   2.905   4.829
    5   1HB   GLU   1          HB2       GLU   1   1.590   3.730   3.285
    6   2HB   GLU   1          HB3       GLU   1   2.136   5.148   3.884
    7   1HG   GLU   1          HG2       GLU   1   2.781   3.982   1.346
    8   2HG   GLU   1          HG3       GLU   1   2.063   5.425   1.614
    9    H    GLN   2           H        GLN   2   2.789   1.567   2.666
   10    HA   GLN   2           HA       GLN   2   5.576   1.142   1.646
   11   1HB   GLN   2          HB2       GLN   2   3.369  -0.760   2.068
   12   2HB   GLN   2          HB3       GLN   2   4.647  -1.106   1.112
   13   1HG   GLN   2          HG2       GLN   2   5.390  -1.992   3.011
   14   2HG   GLN   2          HG3       GLN   2   5.961  -0.474   3.201
   15   1HE2  GLN   2          1HE2      GLN   2   4.472  -2.881   4.768
   16   2HE2  GLN   2          2HE2      GLN   2   3.477  -2.026   5.899
   17    H    CYS   3           H        CYS   3   2.170   0.784   0.622
   18    HA   CYS   3           HA       CYS   3   3.207   0.829  -2.182
   19   1HB   CYS   3          HB2       CYS   3   1.984  -1.257  -2.531
   20   2HB   CYS   3          HB3       CYS   3   3.085  -1.416  -1.160
   21    H    GLY   4           H        GLY   4   1.558   0.789  -3.891
   22   1HA   GLY   4          HA1       GLY   4  -0.556   1.304  -4.810
   23   2HA   GLY   4          HA2       GLY   4  -1.145   1.791  -3.218
   24    H    ARG   5           H        ARG   5  -2.023   3.387  -4.990
   25    HA   ARG   5           HA       ARG   5  -0.524   5.396  -6.248
   26   1HB   ARG   5          HB2       ARG   5  -2.749   5.338  -6.771
   27   2HB   ARG   5          HB3       ARG   5  -3.266   5.223  -5.226
   28   1HG   ARG   5          HG2       ARG   5  -3.886   7.300  -6.168
   29   2HG   ARG   5          HG3       ARG   5  -2.884   7.516  -4.896
   30   1HD   ARG   5          HD2       ARG   5  -1.077   7.736  -6.578
   31   2HD   ARG   5          HD3       ARG   5  -2.275   7.915  -7.673
   32    HE   ARG   5           HE       ARG   5  -3.000   9.908  -6.608
   33   1HH1  ARG   5          2HH2      ARG   5   0.050   8.747  -5.263
   34   2HH1  ARG   5          1HH2      ARG   5   0.481  10.326  -4.699
   35   1HH2  ARG   5          2HH1      ARG   5  -2.311  11.905  -5.923
   36   2HH2  ARG   5          1HH1      ARG   5  -0.817  12.063  -5.061
   37    H    GLN   6           H        GLN   6  -1.975   5.597  -3.001
   38    HA   GLN   6           HA       GLN   6  -0.943   8.188  -2.378
   39   1HB   GLN   6          HB2       GLN   6  -1.557   7.608  -0.144
   40   2HB   GLN   6          HB3       GLN   6  -2.739   7.158  -1.177
   41   1HG   GLN   6          HG2       GLN   6  -0.894   5.143  -0.411
   42   2HG   GLN   6          HG3       GLN   6  -1.971   5.615   0.722
   43   1HE2  GLN   6          1HE2      GLN   6  -3.484   4.129   0.958
   44   2HE2  GLN   6          2HE2      GLN   6  -4.360   3.351  -0.377
   45    H    ALA   7           H        ALA   7   0.717   5.153  -2.566
   46    HA   ALA   7           HA       ALA   7   2.997   6.140  -0.951
   47   1HB   ALA   7          HB1       ALA   7   1.833   3.847  -0.696
   48   2HB   ALA   7          HB2       ALA   7   2.609   3.436  -2.251
   49   3HB   ALA   7          HB3       ALA   7   3.587   3.844  -0.840
   50    H    GLY   8           H        GLY   8   2.013   6.856  -3.932
   51   1HA   GLY   8          HA1       GLY   8   3.269   7.681  -5.715
   52   2HA   GLY   8          HA2       GLY   8   4.739   6.995  -5.018
   53    H    GLY   9           H        GLY   9   2.163   4.670  -5.229
   54   1HA   GLY   9          HA1       GLY   9   1.697   3.076  -6.899
   55   2HA   GLY   9          HA2       GLY   9   2.956   3.751  -7.934
   56    H    LYS  10           H        LYS  10   4.209   3.329  -4.800
   57    HA   LYS  10           HA       LYS  10   5.945   1.170  -5.509
   58   1HB   LYS  10          HB2       LYS  10   5.148   2.390  -2.942
   59   2HB   LYS  10          HB3       LYS  10   6.164   1.112  -2.973
   60   1HG   LYS  10          HG2       LYS  10   7.589   2.478  -4.456
   61   2HG   LYS  10          HG3       LYS  10   6.666   3.747  -4.004
   62   1HD   LYS  10          HD2       LYS  10   7.875   2.184  -1.953
   63   2HD   LYS  10          HD3       LYS  10   8.828   3.229  -2.770
   64   1HE   LYS  10          HE2       LYS  10   8.054   4.129  -0.696
   65   2HE   LYS  10          HE3       LYS  10   7.611   5.047  -1.972
   66   1HZ   LYS  10          HZ1       LYS  10   5.820   3.116  -0.827
   67   2HZ   LYS  10          HZ2       LYS  10   5.817   4.680  -0.311
   68   3HZ   LYS  10          HZ3       LYS  10   5.463   4.342  -1.866
   69    H    LEU  11           H        LEU  11   6.105  -0.877  -4.306
   70    HA   LEU  11           HA       LEU  11   3.481  -2.311  -4.148
   71   1HB   LEU  11          HB2       LEU  11   6.080  -3.334  -5.136
   72   2HB   LEU  11          HB3       LEU  11   4.673  -4.163  -5.093
   73    HG   LEU  11           HG       LEU  11   5.220  -1.806  -6.829
   74   1HD1  LEU  11          1HD1      LEU  11   4.864  -4.750  -7.519
   75   2HD1  LEU  11          2HD1      LEU  11   5.127  -3.419  -8.666
   76   3HD1  LEU  11          3HD1      LEU  11   6.403  -3.860  -7.519
   77   1HD2  LEU  11          1HD2      LEU  11   2.827  -1.883  -6.255
   78   2HD2  LEU  11          2HD2      LEU  11   3.065  -2.414  -7.918
   79   3HD2  LEU  11          3HD2      LEU  11   2.767  -3.620  -6.647
   80    H    CYS  12           H        CYS  12   4.106  -4.639  -3.084
   81    HA   CYS  12           HA       CYS  12   5.203  -3.968  -0.407
   82   1HB   CYS  12          HB2       CYS  12   3.258  -6.035  -1.479
   83   2HB   CYS  12          HB3       CYS  12   4.046  -6.270   0.069
   84    HA   PRO  13           HA       PRO  13   8.642  -6.566  -1.039
   85   1HB   PRO  13          HB2       PRO  13   9.310  -7.227   1.440
   86   2HB   PRO  13          HB3       PRO  13   9.350  -5.662   0.976
   87   1HG   PRO  13          HG2       PRO  13   7.248  -6.980   2.478
   88   2HG   PRO  13          HG3       PRO  13   7.920  -5.527   2.801
   89   1HD   PRO  13          HD2       PRO  13   5.661  -5.689   1.471
   90   2HD   PRO  13          HD3       PRO  13   6.714  -4.475   1.181
   91    H    ASN  14           H        ASN  14   9.608  -8.631  -0.700
   92    HA   ASN  14           HA       ASN  14   9.703 -10.824  -1.188
   93   1HB   ASN  14          HB2       ASN  14   8.105 -10.814   1.297
   94   2HB   ASN  14          HB3       ASN  14   8.851 -12.140   0.703
   95   1HD2  ASN  14          1HD2      ASN  14   9.960 -12.180   2.877
   96   2HD2  ASN  14          2HD2      ASN  14  11.378 -11.126   2.970
   97    H    ASN  15           H        ASN  15   6.384 -10.613  -0.070
   98    HA   ASN  15           HA       ASN  15   5.189 -11.557  -2.524
   99   1HB   ASN  15          HB2       ASN  15   4.639 -13.766  -1.811
  100   2HB   ASN  15          HB3       ASN  15   6.262 -13.607  -1.733
  101   1HD2  ASN  15          1HD2      ASN  15   3.387 -13.447   0.241
  102   2HD2  ASN  15          2HD2      ASN  15   4.177 -14.141   1.682
  103    H    LEU  16           H        LEU  16   4.756  -9.551  -0.038
  104    HA   LEU  16           HA       LEU  16   2.350 -10.751   1.126
  105   1HB   LEU  16          HB2       LEU  16   3.508  -8.071   1.541
  106   2HB   LEU  16          HB3       LEU  16   2.393  -8.804   2.483
  107    HG   LEU  16           HG       LEU  16   5.233  -9.639   2.231
  108   1HD1  LEU  16          1HD1      LEU  16   5.400  -8.861   4.559
  109   2HD1  LEU  16          2HD1      LEU  16   4.899  -7.537   3.494
  110   3HD1  LEU  16          3HD1      LEU  16   3.699  -8.350   4.530
  111   1HD2  LEU  16          1HD2      LEU  16   3.051 -10.692   4.091
  112   2HD2  LEU  16          2HD2      LEU  16   3.753 -11.581   2.710
  113   3HD2  LEU  16          3HD2      LEU  16   4.757 -11.160   4.099
  114    H    CYS  17           H        CYS  17   0.335  -9.667   1.248
  115    HA   CYS  17           HA       CYS  17  -0.576  -8.353  -1.210
  116   1HB   CYS  17          HB2       CYS  17  -2.000  -8.780   1.450
  117   2HB   CYS  17          HB3       CYS  17  -2.685  -8.155  -0.027
  118    H    CYS  18           H        CYS  18  -1.955  -6.313  -0.760
  119    HA   CYS  18           HA       CYS  18  -0.313  -4.224   0.556
  120   1HB   CYS  18          HB2       CYS  18   0.517  -4.330  -1.743
  121   2HB   CYS  18          HB3       CYS  18  -1.129  -4.423  -2.362
  122    H    SER  19           H        SER  19  -1.801  -3.228   1.881
  123    HA   SER  19           HA       SER  19  -4.637  -3.592   1.508
  124   1HB   SER  19          HB2       SER  19  -4.760  -2.002   3.336
  125   2HB   SER  19          HB3       SER  19  -3.690  -3.189   3.673
  126    HG   SER  19           HG       SER  19  -2.897  -1.336   4.339
  127    H    GLN  20           H        GLN  20  -6.188  -2.242   0.908
  128    HA   GLN  20           HA       GLN  20  -5.986  -0.293  -1.062
  129   1HB   GLN  20          HB2       GLN  20  -8.176   0.277  -0.404
  130   2HB   GLN  20          HB3       GLN  20  -8.015  -1.339  -0.229
  131   1HG   GLN  20          HG2       GLN  20  -8.256   0.599   1.874
  132   2HG   GLN  20          HG3       GLN  20  -9.291  -0.620   1.541
  133   1HE2  GLN  20          1HE2      GLN  20  -8.408  -3.007   1.891
  134   2HE2  GLN  20          2HE2      GLN  20  -7.247  -3.111   3.208
  135    H    TRP  21           H        TRP  21  -5.535   0.191   2.466
  136    HA   TRP  21           HA       TRP  21  -5.150   3.041   2.037
  137   1HB   TRP  21          HB2       TRP  21  -5.774   1.536   4.199
  138   2HB   TRP  21          HB3       TRP  21  -4.295   2.127   4.561
  139    HD1  TRP  21           HD       TRP  21  -7.777   3.170   3.840
  140    HE1  TRP  21           HE1      TRP  21  -8.130   5.688   4.414
  141    HE3  TRP  21           HE3      TRP  21  -2.935   4.469   4.839
  142    HZ2  TRP  21           HZ2      TRP  21  -6.496   7.938   5.068
  143    HZ3  TRP  21           HZ3      TRP  21  -2.350   6.806   5.407
  144    HH2  TRP  21           HH       TRP  21  -4.094   8.565   5.409
  145    H    GLY  22           H        GLY  22  -2.968   0.419   1.629
  146   1HA   GLY  22          HA1       GLY  22  -1.091   1.029   0.351
  147   2HA   GLY  22          HA2       GLY  22  -0.827   2.485   1.316
  148    H    TRP  23           H        TRP  23  -1.394  -0.649   2.871
  149    HA   TRP  23           HA       TRP  23   1.473  -0.611   3.785
  150   1HB   TRP  23          HB2       TRP  23  -0.878  -1.441   5.345
  151   2HB   TRP  23          HB3       TRP  23   0.639  -1.175   5.888
  152    HD1  TRP  23           HD       TRP  23  -2.550   0.576   5.106
  153    HE1  TRP  23           HE1      TRP  23  -2.540   2.860   6.242
  154    HE3  TRP  23           HE3      TRP  23   2.387   0.862   6.294
  155    HZ2  TRP  23           HZ2      TRP  23  -0.564   4.758   7.168
  156    HZ3  TRP  23           HZ3      TRP  23   3.308   2.883   7.449
  157    HH2  TRP  23           HH       TRP  23   1.839   4.858   7.836
  158    H    CYS  24           H        CYS  24   1.946  -2.999   4.819
  159    HA   CYS  24           HA       CYS  24   1.013  -4.862   2.651
  160   1HB   CYS  24          HB2       CYS  24   3.732  -4.681   3.957
  161   2HB   CYS  24          HB3       CYS  24   3.239  -5.881   2.758
  162    H    GLY  25           H        GLY  25   0.665  -6.990   3.079
  163   1HA   GLY  25          HA1       GLY  25   0.603  -7.786   5.994
  164   2HA   GLY  25          HA2       GLY  25  -0.887  -7.655   5.068
  165    H    SER  26           H        SER  26  -0.778  -8.917   2.958
  166    HA   SER  26           HA       SER  26  -0.880 -11.062   1.986
  167   1HB   SER  26          HB2       SER  26   1.340 -11.637   2.905
  168   2HB   SER  26          HB3       SER  26   0.601 -12.236   4.233
  169    HG   SER  26           HG       SER  26  -0.671 -13.524   2.861
  170    H    THR  27           H        THR  27  -2.481  -9.785   4.447
  171    HA   THR  27           HA       THR  27  -4.180 -12.206   4.786
  172    HB   THR  27           HB       THR  27  -4.675 -11.641   7.007
  173    HG1  THR  27           HG1      THR  27  -4.993  -9.566   7.185
  174   1HG2  THR  27          1HG2      THR  27  -1.719 -10.880   6.776
  175   2HG2  THR  27          2HG2      THR  27  -2.566 -11.538   8.185
  176   3HG2  THR  27          3HG2      THR  27  -2.340 -12.546   6.739
  177    H    ASP  28           H        ASP  28  -6.389 -11.731   5.046
  178    HA   ASP  28           HA       ASP  28  -8.188 -10.476   3.776
  179   1HB   ASP  28          HB2       ASP  28  -9.026  -9.665   6.088
  180   2HB   ASP  28          HB3       ASP  28  -8.797 -11.265   5.848
  181    H    GLU  29           H        GLU  29  -7.081  -8.141   6.257
  182    HA   GLU  29           HA       GLU  29  -8.372  -6.051   4.720
  183   1HB   GLU  29          HB2       GLU  29  -7.951  -6.237   7.235
  184   2HB   GLU  29          HB3       GLU  29  -6.533  -5.486   6.933
  185   1HG   GLU  29          HG2       GLU  29  -7.663  -3.631   6.026
  186   2HG   GLU  29          HG3       GLU  29  -9.098  -4.394   6.180
  187    H    TYR  30           H        TYR  30  -5.297  -7.434   4.394
  188    HA   TYR  30           HA       TYR  30  -4.250  -5.091   2.895
  189   1HB   TYR  30          HB2       TYR  30  -2.832  -7.502   3.794
  190   2HB   TYR  30          HB3       TYR  30  -2.165  -6.204   3.061
  191    HD1  TYR  30           HD1      TYR  30  -1.479  -4.229   4.252
  192    HD2  TYR  30           HD2      TYR  30  -3.684  -7.410   6.144
  193    HE1  TYR  30           HE1      TYR  30  -0.867  -3.338   6.512
  194    HE2  TYR  30           HE2      TYR  30  -3.178  -6.421   8.374
  195    HH   TYR  30           HH       TYR  30  -1.471  -3.318   8.686
  196    H    CYS  31           H        CYS  31  -5.551  -8.387   2.477
  197    HA   CYS  31           HA       CYS  31  -4.741  -8.340  -0.382
  198   1HB   CYS  31          HB2       CYS  31  -6.353 -10.329   1.230
  199   2HB   CYS  31          HB3       CYS  31  -5.778 -10.536  -0.416
  200    H    SER  32           H        SER  32  -7.392  -7.343   1.587
  201    HA   SER  32           HA       SER  32  -8.618  -6.019  -0.712
  202   1HB   SER  32          HB2       SER  32  -9.970  -8.307   0.564
  203   2HB   SER  32          HB3       SER  32 -10.844  -7.079  -0.066
  204    HG   SER  32           HG       SER  32  -8.883  -8.305  -1.556
  205   1HN   NH2  33          HN1       NH2  33  -9.755  -7.164   2.517
  206   2HN   NH2  33          HN2       NH2  33  -9.997  -5.561   3.177
  207    H1   NAG  34           H1       NAG  34 -12.843   5.253   8.069
  208    H2   NAG  34           H2       NAG  34 -11.847   3.251   6.012
  209    H3   NAG  34           H3       NAG  34 -10.913   3.717   8.865
  210    H4   NAG  34           H4       NAG  34  -9.421   4.198   6.247
  211    H5   NAG  34           H5       NAG  34 -10.603   6.262   8.163
  212   1H6   NAG  34          1H6       NAG  34  -8.545   6.906   6.740
  213   2H6   NAG  34          2H6       NAG  34 -10.010   7.867   6.451
  214   1H8   NAG  34          1H8       NAG  34 -13.902   0.103   8.309
  215   2H8   NAG  34          2H8       NAG  34 -15.261   1.278   8.313
  216   3H8   NAG  34          3H8       NAG  34 -15.093   0.100   6.986
  217    HN2  NAG  34           H2N      NAG  34 -13.085   2.444   8.632
  218    HO1  NAG  34           HO1      NAG  34 -14.452   4.390   6.642
  219    HO3  NAG  34           HO3      NAG  34  -9.327   2.189   8.068
  220    HO6  NAG  34           HO6      NAG  34 -10.519   6.312   4.815
  221    H1   NAG  35           H1       NAG  35  -7.160   4.152   6.756
  222    H2   NAG  35           H2       NAG  35  -6.624   4.411   9.695
  223    H3   NAG  35           H3       NAG  35  -4.530   3.841   7.576
  224    H4   NAG  35           H4       NAG  35  -5.640   1.847   9.602
  225    H5   NAG  35           H5       NAG  35  -6.251   2.069   6.642
  226   1H6   NAG  35          1H6       NAG  35  -6.154  -0.237   7.112
  227   2H6   NAG  35          2H6       NAG  35  -7.861   0.207   7.120
  228   1H8   NAG  35          1H8       NAG  35  -6.281   8.543   8.343
  229   2H8   NAG  35          2H8       NAG  35  -5.028   8.801   9.586
  230   3H8   NAG  35          3H8       NAG  35  -4.552   8.260   7.960
  231    HN2  NAG  35           H2N      NAG  35  -6.197   6.281   7.419
  232    HO3  NAG  35           HO3      NAG  35  -4.390   4.851   9.925
  233    HO6  NAG  35           HO6      NAG  35  -7.336  -1.171   8.811
  234    H1   NAG  36           H1       NAG  36  -3.868   0.492   9.994
  235    H2   NAG  36           H2       NAG  36  -2.140   0.005   7.575
  236    H3   NAG  36           H3       NAG  36  -1.758  -1.100  10.369
  237    H4   NAG  36           H4       NAG  36  -0.243   0.940   8.668
  238    H5   NAG  36           H5       NAG  36  -1.894   1.185  11.201
  239   1H6   NAG  36          1H6       NAG  36  -0.252   3.253   9.662
  240   2H6   NAG  36          2H6       NAG  36  -0.047   2.794  11.366
  241   1H8   NAG  36          1H8       NAG  36  -5.756  -2.659   6.893
  242   2H8   NAG  36          2H8       NAG  36  -4.551  -3.682   6.086
  243   3H8   NAG  36          3H8       NAG  36  -4.703  -3.718   7.863
  244    HN2  NAG  36           H2N      NAG  36  -3.925  -1.998   9.018
  245    HO4  NAG  36           HO4      NAG  36   1.242  -0.366  10.026
  246    HO3  NAG  36           HO3      NAG  36   0.196  -1.772   9.215
  247    HO6  NAG  36           HO6      NAG  36  -2.521   3.703  10.321
  Start of MODEL   13
    1   1H    GLU   1           H1       GLU   1   2.108   7.068   3.306
    2   2H    GLU   1           H2       GLU   1   3.212   6.698   4.470
    3   3H    GLU   1           H3       GLU   1   1.624   7.000   4.898
    4    HA   GLU   1           HA       GLU   1   1.856   4.758   5.073
    5   1HB   GLU   1          HB2       GLU   1   0.721   5.005   2.378
    6   2HB   GLU   1          HB3       GLU   1   0.288   3.983   3.576
    7   1HG   GLU   1          HG2       GLU   1  -0.363   6.776   3.375
    8   2HG   GLU   1          HG3       GLU   1  -1.412   5.526   3.430
    9    H    GLN   2           H        GLN   2   2.099   2.742   3.138
   10    HA   GLN   2           HA       GLN   2   5.065   2.857   2.756
   11   1HB   GLN   2          HB2       GLN   2   4.278   1.749   4.694
   12   2HB   GLN   2          HB3       GLN   2   3.219   0.839   3.846
   13   1HG   GLN   2          HG2       GLN   2   5.189  -0.296   2.901
   14   2HG   GLN   2          HG3       GLN   2   6.043   0.431   4.089
   15   1HE2  GLN   2          1HE2      GLN   2   6.544  -1.462   5.552
   16   2HE2  GLN   2          2HE2      GLN   2   5.113  -2.328   6.172
   17    H    CYS   3           H        CYS   3   2.064   1.954   1.135
   18    HA   CYS   3           HA       CYS   3   3.606   1.259  -1.275
   19   1HB   CYS   3          HB2       CYS   3   2.672  -1.017  -1.450
   20   2HB   CYS   3          HB3       CYS   3   3.640  -0.825   0.001
   21    H    GLY   4           H        GLY   4   2.075   0.495  -3.060
   22   1HA   GLY   4          HA1       GLY   4   0.188   0.645  -4.344
   23   2HA   GLY   4          HA2       GLY   4  -0.719   0.756  -2.840
   24    H    ARG   5           H        ARG   5  -2.166   2.060  -4.169
   25    HA   ARG   5           HA       ARG   5  -1.380   4.240  -5.662
   26   1HB   ARG   5          HB2       ARG   5  -3.656   4.669  -5.913
   27   2HB   ARG   5          HB3       ARG   5  -3.406   3.055  -5.939
   28   1HG   ARG   5          HG2       ARG   5  -4.454   4.264  -3.583
   29   2HG   ARG   5          HG3       ARG   5  -5.452   3.945  -4.835
   30   1HD   ARG   5          HD2       ARG   5  -5.748   2.110  -3.567
   31   2HD   ARG   5          HD3       ARG   5  -4.590   1.590  -4.593
   32    HE   ARG   5           HE       ARG   5  -3.548   2.767  -2.220
   33   1HH1  ARG   5          2HH1      ARG   5  -4.761  -0.407  -3.247
   34   2HH1  ARG   5          1HH1      ARG   5  -3.734  -1.191  -2.093
   35   1HH2  ARG   5          2HH2      ARG   5  -2.256   1.701  -0.975
   36   2HH2  ARG   5          1HH2      ARG   5  -2.351  -0.023  -0.838
   37    H    GLN   6           H        GLN   6  -1.614   4.431  -2.221
   38    HA   GLN   6           HA       GLN   6  -1.394   7.411  -2.507
   39   1HB   GLN   6          HB2       GLN   6  -1.774   7.487  -0.154
   40   2HB   GLN   6          HB3       GLN   6  -3.022   6.780  -0.935
   41   1HG   GLN   6          HG2       GLN   6  -1.059   5.128   0.325
   42   2HG   GLN   6          HG3       GLN   6  -2.251   5.782   1.230
   43   1HE2  GLN   6          1HE2      GLN   6  -4.451   5.106   0.992
   44   2HE2  GLN   6          2HE2      GLN   6  -4.808   3.636   0.102
   45    H    ALA   7           H        ALA   7   0.696   4.813  -2.474
   46    HA   ALA   7           HA       ALA   7   2.870   6.687  -1.691
   47   1HB   ALA   7          HB1       ALA   7   4.160   4.882  -0.716
   48   2HB   ALA   7          HB2       ALA   7   2.597   4.996   0.121
   49   3HB   ALA   7          HB3       ALA   7   2.876   3.721  -1.083
   50    H    GLY   8           H        GLY   8   2.244   6.981  -4.056
   51   1HA   GLY   8          HA1       GLY   8   3.006   6.975  -6.225
   52   2HA   GLY   8          HA2       GLY   8   4.468   6.220  -5.590
   53    H    GLY   9           H        GLY   9   1.681   4.211  -5.062
   54   1HA   GLY   9          HA1       GLY   9   0.944   2.321  -6.236
   55   2HA   GLY   9          HA2       GLY   9   1.940   2.771  -7.618
   56    H    LYS  10           H        LYS  10   3.829   2.879  -4.714
   57    HA   LYS  10           HA       LYS  10   5.579   0.928  -5.761
   58   1HB   LYS  10          HB2       LYS  10   6.101   2.696  -4.110
   59   2HB   LYS  10          HB3       LYS  10   5.402   1.804  -2.934
   60   1HG   LYS  10          HG2       LYS  10   6.984   0.023  -3.490
   61   2HG   LYS  10          HG3       LYS  10   7.761   1.104  -4.436
   62   1HD   LYS  10          HD2       LYS  10   8.839   0.931  -2.334
   63   2HD   LYS  10          HD3       LYS  10   8.240   2.437  -2.539
   64   1HE   LYS  10          HE2       LYS  10   7.785   1.692  -0.349
   65   2HE   LYS  10          HE3       LYS  10   6.385   1.890  -1.167
   66   1HZ   LYS  10          HZ1       LYS  10   7.636  -0.609  -0.514
   67   2HZ   LYS  10          HZ2       LYS  10   6.178  -0.017   0.009
   68   3HZ   LYS  10          HZ3       LYS  10   6.361  -0.535  -1.539
   69    H    LEU  11           H        LEU  11   5.939  -1.194  -5.402
   70    HA   LEU  11           HA       LEU  11   3.789  -2.841  -4.360
   71   1HB   LEU  11          HB2       LEU  11   6.485  -3.619  -5.307
   72   2HB   LEU  11          HB3       LEU  11   5.198  -4.611  -5.141
   73    HG   LEU  11           HG       LEU  11   5.464  -2.428  -7.143
   74   1HD1  LEU  11          1HD1      LEU  11   5.315  -5.450  -7.477
   75   2HD1  LEU  11          2HD1      LEU  11   5.454  -4.247  -8.777
   76   3HD1  LEU  11          3HD1      LEU  11   6.785  -4.461  -7.627
   77   1HD2  LEU  11          1HD2      LEU  11   3.332  -3.336  -8.076
   78   2HD2  LEU  11          2HD2      LEU  11   3.159  -4.368  -6.641
   79   3HD2  LEU  11          3HD2      LEU  11   3.109  -2.591  -6.492
   80    H    CYS  12           H        CYS  12   4.748  -4.934  -3.142
   81    HA   CYS  12           HA       CYS  12   5.965  -4.052  -0.583
   82   1HB   CYS  12          HB2       CYS  12   3.662  -5.922  -1.278
   83   2HB   CYS  12          HB3       CYS  12   4.429  -5.918   0.296
   84    HA   PRO  13           HA       PRO  13   8.764  -7.288  -1.327
   85   1HB   PRO  13          HB2       PRO  13   9.747  -7.760   1.066
   86   2HB   PRO  13          HB3       PRO  13   9.799  -6.237   0.479
   87   1HG   PRO  13          HG2       PRO  13   7.846  -7.315   2.342
   88   2HG   PRO  13          HG3       PRO  13   8.664  -5.909   2.491
   89   1HD   PRO  13          HD2       PRO  13   6.241  -5.947   1.468
   90   2HD   PRO  13          HD3       PRO  13   7.336  -4.837   0.980
   91    H    ASN  14           H        ASN  14   9.637  -9.394  -0.706
   92    HA   ASN  14           HA       ASN  14   9.584 -11.646  -0.583
   93   1HB   ASN  14          HB2       ASN  14   7.632 -11.148   1.587
   94   2HB   ASN  14          HB3       ASN  14   8.513 -12.509   1.388
   95   1HD2  ASN  14          1HD2      ASN  14  10.900 -12.457   1.718
   96   2HD2  ASN  14          2HD2      ASN  14  11.466 -11.128   2.735
   97    H    ASN  15           H        ASN  15   6.215 -11.003   0.104
   98    HA   ASN  15           HA       ASN  15   5.190 -12.023  -2.391
   99   1HB   ASN  15          HB2       ASN  15   5.915 -14.049  -0.935
  100   2HB   ASN  15          HB3       ASN  15   4.491 -13.812  -0.170
  101   1HD2  ASN  15          1HD2      ASN  15   2.571 -13.397  -1.917
  102   2HD2  ASN  15          2HD2      ASN  15   2.582 -14.705  -3.125
  103    H    LEU  16           H        LEU  16   4.846  -9.713  -0.234
  104    HA   LEU  16           HA       LEU  16   2.194 -10.365   0.849
  105   1HB   LEU  16          HB2       LEU  16   3.984  -8.039   1.197
  106   2HB   LEU  16          HB3       LEU  16   2.604  -8.289   2.032
  107    HG   LEU  16           HG       LEU  16   5.028 -10.008   2.192
  108   1HD1  LEU  16          1HD1      LEU  16   5.234  -9.083   4.455
  109   2HD1  LEU  16          2HD1      LEU  16   5.265  -7.790   3.243
  110   3HD1  LEU  16          3HD1      LEU  16   3.790  -8.076   4.199
  111   1HD2  LEU  16          1HD2      LEU  16   2.423 -10.107   3.766
  112   2HD2  LEU  16          2HD2      LEU  16   2.986 -11.347   2.624
  113   3HD2  LEU  16          3HD2      LEU  16   3.868 -11.060   4.125
  114    H    CYS  17           H        CYS  17   0.546  -8.784   0.887
  115    HA   CYS  17           HA       CYS  17   0.094  -7.402  -1.719
  116   1HB   CYS  17          HB2       CYS  17  -1.559  -9.234  -0.615
  117   2HB   CYS  17          HB3       CYS  17  -2.114  -7.843   0.246
  118    H    CYS  18           H        CYS  18  -1.735  -5.618  -0.911
  119    HA   CYS  18           HA       CYS  18  -0.332  -3.747   0.890
  120   1HB   CYS  18          HB2       CYS  18   0.690  -3.433  -1.342
  121   2HB   CYS  18          HB3       CYS  18  -0.914  -3.195  -2.036
  122    H    SER  19           H        SER  19  -2.006  -3.423   2.250
  123    HA   SER  19           HA       SER  19  -4.758  -3.361   2.029
  124   1HB   SER  19          HB2       SER  19  -3.796  -2.778   4.099
  125   2HB   SER  19          HB3       SER  19  -2.945  -1.525   3.486
  126    HG   SER  19           HG       SER  19  -4.673  -0.798   4.650
  127    H    GLN  20           H        GLN  20  -6.358  -1.884   1.404
  128    HA   GLN  20           HA       GLN  20  -5.643  -0.042  -0.712
  129   1HB   GLN  20          HB2       GLN  20  -8.202  -0.279   0.715
  130   2HB   GLN  20          HB3       GLN  20  -7.954   0.519  -0.689
  131   1HG   GLN  20          HG2       GLN  20  -7.769  -2.334  -0.300
  132   2HG   GLN  20          HG3       GLN  20  -8.872  -1.562  -1.224
  133   1HE2  GLN  20          1HE2      GLN  20  -6.688  -3.743  -1.831
  134   2HE2  GLN  20          2HE2      GLN  20  -5.942  -2.999  -3.226
  135    H    TRP  21           H        TRP  21  -5.379   0.248   2.677
  136    HA   TRP  21           HA       TRP  21  -5.227   3.193   2.488
  137   1HB   TRP  21          HB2       TRP  21  -5.589   1.365   4.610
  138   2HB   TRP  21          HB3       TRP  21  -4.373   2.401   4.953
  139    HD1  TRP  21           HD       TRP  21  -7.965   2.160   4.974
  140    HE1  TRP  21           HE1      TRP  21  -9.117   4.506   5.168
  141    HE3  TRP  21           HE3      TRP  21  -3.855   5.146   4.438
  142    HZ2  TRP  21           HZ2      TRP  21  -8.374   7.233   4.632
  143    HZ3  TRP  21           HZ3      TRP  21  -4.100   7.597   4.190
  144    HH2  TRP  21           HH       TRP  21  -6.343   8.653   4.249
  145    H    GLY  22           H        GLY  22  -3.144   0.825   1.516
  146   1HA   GLY  22          HA1       GLY  22  -1.081   1.472   0.535
  147   2HA   GLY  22          HA2       GLY  22  -0.986   2.868   1.603
  148    H    TRP  23           H        TRP  23  -1.439  -0.511   2.677
  149    HA   TRP  23           HA       TRP  23   1.312  -0.378   3.833
  150   1HB   TRP  23          HB2       TRP  23  -1.180  -0.946   5.288
  151   2HB   TRP  23          HB3       TRP  23   0.323  -1.082   5.913
  152    HD1  TRP  23           HD       TRP  23  -2.307   1.416   5.148
  153    HE1  TRP  23           HE1      TRP  23  -1.609   3.749   6.105
  154    HE3  TRP  23           HE3      TRP  23   2.552   0.472   6.179
  155    HZ2  TRP  23           HZ2      TRP  23   0.645   4.874   7.438
  156    HZ3  TRP  23           HZ3      TRP  23   4.016   2.206   7.259
  157    HH2  TRP  23           HH       TRP  23   3.050   4.410   7.885
  158    H    CYS  24           H        CYS  24   2.383  -2.242   4.039
  159    HA   CYS  24           HA       CYS  24   1.549  -4.325   2.221
  160   1HB   CYS  24          HB2       CYS  24   4.057  -3.801   3.835
  161   2HB   CYS  24          HB3       CYS  24   3.884  -5.176   2.736
  162    H    GLY  25           H        GLY  25   0.673  -6.253   2.724
  163   1HA   GLY  25          HA1       GLY  25   1.141  -7.501   5.368
  164   2HA   GLY  25          HA2       GLY  25  -0.510  -6.976   5.003
  165    H    SER  26           H        SER  26  -0.077  -9.601   5.578
  166    HA   SER  26           HA       SER  26   0.233 -11.085   3.008
  167   1HB   SER  26          HB2       SER  26   1.501 -11.746   5.013
  168   2HB   SER  26          HB3       SER  26   0.109 -12.159   5.760
  169    HG   SER  26           HG       SER  26  -0.322 -13.541   3.981
  170    H    THR  27           H        THR  27  -2.352  -9.640   4.226
  171    HA   THR  27           HA       THR  27  -4.198 -11.977   4.314
  172    HB   THR  27           HB       THR  27  -5.067 -10.842   6.381
  173    HG1  THR  27           HG1      THR  27  -4.203  -9.040   7.013
  174   1HG2  THR  27          1HG2      THR  27  -3.250 -11.456   7.866
  175   2HG2  THR  27          2HG2      THR  27  -3.229 -12.620   6.520
  176   3HG2  THR  27          3HG2      THR  27  -2.041 -11.295   6.582
  177    H    ASP  28           H        ASP  28  -6.588 -11.209   4.184
  178    HA   ASP  28           HA       ASP  28  -6.466  -9.653   1.769
  179   1HB   ASP  28          HB2       ASP  28  -7.936 -11.583   2.085
  180   2HB   ASP  28          HB3       ASP  28  -8.926 -10.671   3.010
  181    H    GLU  29           H        GLU  29  -7.457  -8.773   5.051
  182    HA   GLU  29           HA       GLU  29  -8.511  -6.192   4.209
  183   1HB   GLU  29          HB2       GLU  29  -8.553  -5.710   6.443
  184   2HB   GLU  29          HB3       GLU  29  -8.932  -7.297   6.363
  185   1HG   GLU  29          HG2       GLU  29  -6.411  -6.262   7.263
  186   2HG   GLU  29          HG3       GLU  29  -7.589  -6.830   8.242
  187    H    TYR  30           H        TYR  30  -5.394  -7.544   4.095
  188    HA   TYR  30           HA       TYR  30  -4.257  -4.844   3.590
  189   1HB   TYR  30          HB2       TYR  30  -2.993  -7.330   4.484
  190   2HB   TYR  30          HB3       TYR  30  -2.128  -6.176   3.718
  191    HD1  TYR  30           HD1      TYR  30  -4.197  -6.798   6.663
  192    HD2  TYR  30           HD2      TYR  30  -1.176  -4.347   4.859
  193    HE1  TYR  30           HE1      TYR  30  -4.029  -5.460   8.765
  194    HE2  TYR  30           HE2      TYR  30  -1.004  -3.012   6.936
  195    HH   TYR  30           HH       TYR  30  -1.732  -2.752   9.024
  196    H    CYS  31           H        CYS  31  -5.966  -6.960   1.892
  197    HA   CYS  31           HA       CYS  31  -4.215  -6.615  -0.478
  198   1HB   CYS  31          HB2       CYS  31  -4.238  -8.969   0.489
  199   2HB   CYS  31          HB3       CYS  31  -5.860  -9.111  -0.166
  200    H    SER  32           H        SER  32  -7.578  -8.062  -0.211
  201    HA   SER  32           HA       SER  32  -8.518  -6.189  -2.230
  202   1HB   SER  32          HB2       SER  32 -10.155  -7.889  -0.453
  203   2HB   SER  32          HB3       SER  32 -10.593  -7.250  -1.891
  204    HG   SER  32           HG       SER  32  -8.886  -9.297  -1.327
  205   1HN   NH2  33          HN1       NH2  33  -9.019  -6.570   1.315
  206   2HN   NH2  33          HN2       NH2  33  -9.506  -4.911   1.588
  207    H1   NAG  34           H1       NAG  34 -10.353   8.086   9.524
  208    H2   NAG  34           H2       NAG  34  -9.653   7.112   6.741
  209    H3   NAG  34           H3       NAG  34  -8.640   6.186   9.456
  210    H4   NAG  34           H4       NAG  34  -7.296   7.571   7.074
  211    H5   NAG  34           H5       NAG  34  -7.976   8.618   9.855
  212   1H6   NAG  34          1H6       NAG  34  -6.661   9.910   7.415
  213   2H6   NAG  34          2H6       NAG  34  -5.960   9.737   9.046
  214   1H8   NAG  34          1H8       NAG  34 -12.492   3.459   6.401
  215   2H8   NAG  34          2H8       NAG  34 -12.066   3.488   8.131
  216   3H8   NAG  34          3H8       NAG  34 -13.252   4.664   7.470
  217    HN2  NAG  34           H2N      NAG  34 -11.478   5.851   8.751
  218    HO1  NAG  34           HO1      NAG  34 -12.086   8.127   7.990
  219    HO3  NAG  34           HO3      NAG  34  -7.861   4.537   8.353
  220    HO6  NAG  34           HO6      NAG  34  -8.415  11.000   8.551
  221    H1   NAG  35           H1       NAG  35  -5.783   5.788   7.149
  222    H2   NAG  35           H2       NAG  35  -3.776   6.204   9.381
  223    H3   NAG  35           H3       NAG  35  -3.612   4.339   6.992
  224    H4   NAG  35           H4       NAG  35  -3.970   3.596   9.938
  225    H5   NAG  35           H5       NAG  35  -5.819   3.472   7.512
  226   1H6   NAG  35          1H6       NAG  35  -6.329   2.682  10.416
  227   2H6   NAG  35          2H6       NAG  35  -6.251   1.573   9.027
  228   1H8   NAG  35          1H8       NAG  35  -2.249   9.985   7.085
  229   2H8   NAG  35          2H8       NAG  35  -1.318   8.523   6.669
  230   3H8   NAG  35          3H8       NAG  35  -2.808   8.931   5.758
  231    HN2  NAG  35           H2N      NAG  35  -2.841   6.550   6.613
  232    HO3  NAG  35           HO3      NAG  35  -1.729   5.170   7.521
  233    HO6  NAG  35           HO6      NAG  35  -8.393   2.173   9.510
  234    H1   NAG  36           H1       NAG  36  -3.305   1.148  10.215
  235    H2   NAG  36           H2       NAG  36  -1.874   0.626   7.618
  236    H3   NAG  36           H3       NAG  36  -1.526  -0.684  10.348
  237    H4   NAG  36           H4       NAG  36   0.352   1.036   8.667
  238    H5   NAG  36           H5       NAG  36  -1.137   1.586  11.286
  239   1H6   NAG  36          1H6       NAG  36   0.925   3.103   9.647
  240   2H6   NAG  36          2H6       NAG  36   0.810   2.941  11.402
  241   1H8   NAG  36          1H8       NAG  36  -5.911  -1.709   6.632
  242   2H8   NAG  36          2H8       NAG  36  -4.606  -2.900   6.524
  243   3H8   NAG  36          3H8       NAG  36  -5.244  -2.421   8.117
  244    HN2  NAG  36           H2N      NAG  36  -3.441  -1.579   8.930
  245    HO4  NAG  36           HO4      NAG  36   1.455  -0.608   9.971
  246    HO3  NAG  36           HO3      NAG  36   0.351  -1.480   9.007
  247    HO6  NAG  36           HO6      NAG  36  -1.124   4.236   9.764
  Start of MODEL   14
    1   1H    GLU   1           H1       GLU   1   2.217   6.531   4.886
    2   2H    GLU   1           H2       GLU   1   3.450   6.606   3.779
    3   3H    GLU   1           H3       GLU   1   3.588   5.626   5.090
    4    HA   GLU   1           HA       GLU   1   1.974   4.128   4.294
    5   1HB   GLU   1          HB2       GLU   1   1.331   6.363   2.534
    6   2HB   GLU   1          HB3       GLU   1   1.097   4.853   1.957
    7   1HG   GLU   1          HG2       GLU   1  -0.906   5.665   2.876
    8   2HG   GLU   1          HG3       GLU   1  -0.378   4.388   3.746
    9    H    GLN   2           H        GLN   2   2.516   2.527   2.611
   10    HA   GLN   2           HA       GLN   2   5.291   2.983   1.569
   11   1HB   GLN   2          HB2       GLN   2   5.076   1.867   3.777
   12   2HB   GLN   2          HB3       GLN   2   4.377   0.593   3.030
   13   1HG   GLN   2          HG2       GLN   2   6.764   1.127   1.793
   14   2HG   GLN   2          HG3       GLN   2   7.025   0.995   3.400
   15   1HE2  GLN   2          1HE2      GLN   2   6.061  -1.085   4.548
   16   2HE2  GLN   2          2HE2      GLN   2   6.152  -2.497   3.522
   17    H    CYS   3           H        CYS   3   2.142   1.817   0.735
   18    HA   CYS   3           HA       CYS   3   3.178   1.183  -1.905
   19   1HB   CYS   3          HB2       CYS   3   2.308  -1.036  -2.094
   20   2HB   CYS   3          HB3       CYS   3   3.311  -1.005  -0.648
   21    H    GLY   4           H        GLY   4   1.070   0.496  -3.283
   22   1HA   GLY   4          HA1       GLY   4  -1.092   1.024  -3.974
   23   2HA   GLY   4          HA2       GLY   4  -1.489   1.414  -2.292
   24    H    ARG   5           H        ARG   5  -2.755   3.027  -3.868
   25    HA   ARG   5           HA       ARG   5  -1.507   5.025  -5.315
   26   1HB   ARG   5          HB2       ARG   5  -3.916   4.534  -5.147
   27   2HB   ARG   5          HB3       ARG   5  -3.990   5.393  -3.760
   28   1HG   ARG   5          HG2       ARG   5  -3.027   6.652  -6.136
   29   2HG   ARG   5          HG3       ARG   5  -4.637   6.514  -5.902
   30   1HD   ARG   5          HD2       ARG   5  -2.823   8.017  -4.245
   31   2HD   ARG   5          HD3       ARG   5  -3.977   8.647  -5.214
   32    HE   ARG   5           HE       ARG   5  -4.430   7.308  -2.677
   33   1HH1  ARG   5          2HH2      ARG   5  -5.980   9.080  -5.302
   34   2HH1  ARG   5          1HH2      ARG   5  -7.490   9.099  -4.454
   35   1HH2  ARG   5          2HH1      ARG   5  -6.318   7.350  -1.712
   36   2HH2  ARG   5          1HH1      ARG   5  -7.679   8.130  -2.445
   37    H    GLN   6           H        GLN   6  -2.235   5.226  -1.820
   38    HA   GLN   6           HA       GLN   6  -1.265   7.901  -1.486
   39   1HB   GLN   6          HB2       GLN   6  -1.541   5.693   0.449
   40   2HB   GLN   6          HB3       GLN   6  -1.087   7.202   0.878
   41   1HG   GLN   6          HG2       GLN   6  -3.319   7.143   1.324
   42   2HG   GLN   6          HG3       GLN   6  -3.215   7.962  -0.086
   43   1HE2  GLN   6          1HE2      GLN   6  -3.380   4.596   0.880
   44   2HE2  GLN   6          2HE2      GLN   6  -4.708   4.150  -0.165
   45    H    ALA   7           H        ALA   7   0.632   5.058  -2.134
   46    HA   ALA   7           HA       ALA   7   3.055   6.640  -1.364
   47   1HB   ALA   7          HB1       ALA   7   2.826   3.628  -1.479
   48   2HB   ALA   7          HB2       ALA   7   4.183   4.584  -0.856
   49   3HB   ALA   7          HB3       ALA   7   2.639   4.565   0.022
   50    H    GLY   8           H        GLY   8   1.331   6.299  -4.032
   51   1HA   GLY   8          HA1       GLY   8   1.980   6.320  -6.285
   52   2HA   GLY   8          HA2       GLY   8   3.670   6.273  -5.767
   53    H    GLY   9           H        GLY   9   1.245   3.869  -4.880
   54   1HA   GLY   9          HA1       GLY   9   0.795   1.727  -5.724
   55   2HA   GLY   9          HA2       GLY   9   1.981   1.977  -7.010
   56    H    LYS  10           H        LYS  10   4.259   2.426  -5.823
   57    HA   LYS  10           HA       LYS  10   6.008   0.806  -5.427
   58   1HB   LYS  10          HB2       LYS  10   5.672   2.846  -3.859
   59   2HB   LYS  10          HB3       LYS  10   5.501   1.703  -2.704
   60   1HG   LYS  10          HG2       LYS  10   7.801   1.990  -4.400
   61   2HG   LYS  10          HG3       LYS  10   7.735   2.468  -2.840
   62   1HD   LYS  10          HD2       LYS  10   7.538  -0.296  -3.548
   63   2HD   LYS  10          HD3       LYS  10   8.987   0.419  -3.311
   64   1HE   LYS  10          HE2       LYS  10   8.734  -0.350  -1.265
   65   2HE   LYS  10          HE3       LYS  10   7.862   1.016  -1.066
   66   1HZ   LYS  10          HZ1       LYS  10   6.657  -1.495  -1.782
   67   2HZ   LYS  10          HZ2       LYS  10   6.724  -0.926  -0.227
   68   3HZ   LYS  10          HZ3       LYS  10   5.864  -0.134  -1.358
   69    H    LEU  11           H        LEU  11   5.251  -1.291  -5.834
   70    HA   LEU  11           HA       LEU  11   3.558  -2.766  -4.164
   71   1HB   LEU  11          HB2       LEU  11   5.631  -3.807  -6.005
   72   2HB   LEU  11          HB3       LEU  11   4.367  -4.666  -5.429
   73    HG   LEU  11           HG       LEU  11   4.191  -2.346  -7.279
   74   1HD1  LEU  11          1HD1      LEU  11   4.975  -4.454  -8.310
   75   2HD1  LEU  11          2HD1      LEU  11   3.536  -5.292  -7.687
   76   3HD1  LEU  11          3HD1      LEU  11   3.364  -3.995  -8.888
   77   1HD2  LEU  11          1HD2      LEU  11   1.766  -2.948  -7.428
   78   2HD2  LEU  11          2HD2      LEU  11   1.981  -4.068  -6.069
   79   3HD2  LEU  11          3HD2      LEU  11   2.212  -2.315  -5.841
   80    H    CYS  12           H        CYS  12   4.077  -4.925  -3.154
   81    HA   CYS  12           HA       CYS  12   5.671  -4.128  -0.838
   82   1HB   CYS  12          HB2       CYS  12   3.514  -6.180  -1.403
   83   2HB   CYS  12          HB3       CYS  12   4.330  -6.079   0.154
   84    HA   PRO  13           HA       PRO  13   8.850  -6.982  -1.302
   85   1HB   PRO  13          HB2       PRO  13   9.725  -7.279   1.184
   86   2HB   PRO  13          HB3       PRO  13   9.743  -5.806   0.478
   87   1HG   PRO  13          HG2       PRO  13   7.765  -6.820   2.341
   88   2HG   PRO  13          HG3       PRO  13   8.488  -5.356   2.380
   89   1HD   PRO  13          HD2       PRO  13   6.121  -5.637   1.288
   90   2HD   PRO  13          HD3       PRO  13   7.173  -4.528   0.713
   91    H    ASN  14           H        ASN  14   9.861  -8.957  -0.717
   92    HA   ASN  14           HA       ASN  14  10.054 -11.174  -0.632
   93   1HB   ASN  14          HB2       ASN  14   9.667 -10.446   1.770
   94   2HB   ASN  14          HB3       ASN  14   8.224 -11.203   1.663
   95   1HD2  ASN  14          1HD2      ASN  14   8.084 -13.558   1.796
   96   2HD2  ASN  14          2HD2      ASN  14   9.616 -14.417   1.935
   97    H    ASN  15           H        ASN  15   6.656 -10.799   0.202
   98    HA   ASN  15           HA       ASN  15   5.676 -12.190  -2.150
   99   1HB   ASN  15          HB2       ASN  15   4.927 -14.170  -1.044
  100   2HB   ASN  15          HB3       ASN  15   6.539 -14.049  -0.811
  101   1HD2  ASN  15          1HD2      ASN  15   3.480 -13.393   0.717
  102   2HD2  ASN  15          2HD2      ASN  15   4.072 -13.742   2.367
  103    H    LEU  16           H        LEU  16   5.127  -9.691  -0.249
  104    HA   LEU  16           HA       LEU  16   2.511 -10.482   0.863
  105   1HB   LEU  16          HB2       LEU  16   4.172  -8.057   1.150
  106   2HB   LEU  16          HB3       LEU  16   2.793  -8.347   1.975
  107    HG   LEU  16           HG       LEU  16   5.283  -9.954   2.226
  108   1HD1  LEU  16          1HD1      LEU  16   5.457  -8.903   4.437
  109   2HD1  LEU  16          2HD1      LEU  16   5.457  -7.677   3.153
  110   3HD1  LEU  16          3HD1      LEU  16   3.988  -7.951   4.122
  111   1HD2  LEU  16          1HD2      LEU  16   2.711 -10.061   3.867
  112   2HD2  LEU  16          2HD2      LEU  16   3.261 -11.309   2.726
  113   3HD2  LEU  16          3HD2      LEU  16   4.195 -10.968   4.187
  114    H    CYS  17           H        CYS  17   0.765  -9.025   0.840
  115    HA   CYS  17           HA       CYS  17   0.194  -7.705  -1.757
  116   1HB   CYS  17          HB2       CYS  17  -2.131  -8.140  -1.190
  117   2HB   CYS  17          HB3       CYS  17  -1.179  -9.584  -1.392
  118    H    CYS  18           H        CYS  18  -1.829  -6.060  -0.934
  119    HA   CYS  18           HA       CYS  18  -0.292  -3.983   0.503
  120   1HB   CYS  18          HB2       CYS  18   0.537  -3.853  -1.796
  121   2HB   CYS  18          HB3       CYS  18  -1.121  -3.789  -2.403
  122    H    SER  19           H        SER  19  -1.638  -2.684   1.648
  123    HA   SER  19           HA       SER  19  -4.505  -3.141   1.583
  124   1HB   SER  19          HB2       SER  19  -4.477  -1.751   3.484
  125   2HB   SER  19          HB3       SER  19  -3.180  -2.737   3.602
  126    HG   SER  19           HG       SER  19  -2.692  -0.702   4.254
  127    H    GLN  20           H        GLN  20  -6.079  -1.334   1.682
  128    HA   GLN  20           HA       GLN  20  -5.886   0.323  -0.742
  129   1HB   GLN  20          HB2       GLN  20  -7.927  -0.083   1.363
  130   2HB   GLN  20          HB3       GLN  20  -8.091   1.090   0.239
  131   1HG   GLN  20          HG2       GLN  20  -9.280  -0.978  -0.260
  132   2HG   GLN  20          HG3       GLN  20  -8.312  -0.438  -1.460
  133   1HE2  GLN  20          1HE2      GLN  20  -8.202  -2.706   1.356
  134   2HE2  GLN  20          2HE2      GLN  20  -7.117  -3.786   0.536
  135    H    TRP  21           H        TRP  21  -5.551   0.633   2.770
  136    HA   TRP  21           HA       TRP  21  -5.100   3.508   2.640
  137   1HB   TRP  21          HB2       TRP  21  -5.130   1.599   4.697
  138   2HB   TRP  21          HB3       TRP  21  -3.776   2.500   4.840
  139    HD1  TRP  21           HD       TRP  21  -7.094   2.515   6.059
  140    HE1  TRP  21           HE1      TRP  21  -7.856   4.890   6.778
  141    HE3  TRP  21           HE3      TRP  21  -3.345   5.332   4.007
  142    HZ2  TRP  21           HZ2      TRP  21  -7.317   7.601   5.948
  143    HZ3  TRP  21           HZ3      TRP  21  -3.511   7.788   3.937
  144    HH2  TRP  21           HH       TRP  21  -5.505   8.943   4.858
  145    H    GLY  22           H        GLY  22  -2.919   0.697   2.203
  146   1HA   GLY  22          HA1       GLY  22  -1.329   1.142   0.400
  147   2HA   GLY  22          HA2       GLY  22  -0.983   2.726   1.101
  148    H    TRP  23           H        TRP  23  -1.137  -0.529   2.618
  149    HA   TRP  23           HA       TRP  23   1.798  -0.349   3.144
  150   1HB   TRP  23          HB2       TRP  23  -0.255  -0.890   5.188
  151   2HB   TRP  23          HB3       TRP  23   1.360  -0.836   5.427
  152    HD1  TRP  23           HD       TRP  23  -1.637   1.350   5.149
  153    HE1  TRP  23           HE1      TRP  23  -1.065   3.527   6.431
  154    HE3  TRP  23           HE3      TRP  23   3.417   0.990   5.188
  155    HZ2  TRP  23           HZ2      TRP  23   1.247   4.959   7.246
  156    HZ3  TRP  23           HZ3      TRP  23   4.832   2.773   6.252
  157    HH2  TRP  23           HH       TRP  23   3.741   4.706   7.373
  158    H    CYS  24           H        CYS  24   2.349  -2.687   4.394
  159    HA   CYS  24           HA       CYS  24   1.456  -4.515   2.198
  160   1HB   CYS  24          HB2       CYS  24   4.118  -4.189   3.600
  161   2HB   CYS  24          HB3       CYS  24   3.756  -5.478   2.446
  162    H    GLY  25           H        GLY  25   0.956  -6.677   2.579
  163   1HA   GLY  25          HA1       GLY  25   1.261  -7.818   5.279
  164   2HA   GLY  25          HA2       GLY  25  -0.369  -7.253   4.876
  165    H    SER  26           H        SER  26  -0.380  -9.733   5.513
  166    HA   SER  26           HA       SER  26  -0.860 -11.147   2.926
  167   1HB   SER  26          HB2       SER  26  -0.016 -13.143   3.893
  168   2HB   SER  26          HB3       SER  26   1.163 -12.023   4.039
  169    HG   SER  26           HG       SER  26  -0.620 -12.777   5.995
  170    H    THR  27           H        THR  27  -2.884  -9.776   3.846
  171    HA   THR  27           HA       THR  27  -4.662 -11.573   5.325
  172    HB   THR  27           HB       THR  27  -4.606 -10.621   7.326
  173    HG1  THR  27           HG1      THR  27  -5.887  -8.966   7.016
  174   1HG2  THR  27          1HG2      THR  27  -2.164 -10.415   7.090
  175   2HG2  THR  27          2HG2      THR  27  -2.358  -8.822   6.309
  176   3HG2  THR  27          3HG2      THR  27  -2.830  -9.053   7.996
  177    H    ASP  28           H        ASP  28  -6.776 -10.364   5.659
  178    HA   ASP  28           HA       ASP  28  -8.194 -10.065   3.339
  179   1HB   ASP  28          HB2       ASP  28  -9.670  -8.811   4.993
  180   2HB   ASP  28          HB3       ASP  28  -9.216 -10.312   5.450
  181    H    GLU  29           H        GLU  29  -7.845  -7.020   5.228
  182    HA   GLU  29           HA       GLU  29  -8.360  -5.302   3.076
  183   1HB   GLU  29          HB2       GLU  29  -8.365  -4.415   5.174
  184   2HB   GLU  29          HB3       GLU  29  -6.931  -5.060   5.616
  185   1HG   GLU  29          HG2       GLU  29  -6.774  -2.730   5.504
  186   2HG   GLU  29          HG3       GLU  29  -5.793  -3.417   4.393
  187    H    TYR  30           H        TYR  30  -5.222  -6.663   4.051
  188    HA   TYR  30           HA       TYR  30  -3.694  -5.100   2.153
  189   1HB   TYR  30          HB2       TYR  30  -3.040  -7.547   3.651
  190   2HB   TYR  30          HB3       TYR  30  -1.964  -6.713   2.748
  191    HD1  TYR  30           HD1      TYR  30  -3.790  -6.781   5.882
  192    HD2  TYR  30           HD2      TYR  30  -1.070  -4.564   3.410
  193    HE1  TYR  30           HE1      TYR  30  -3.057  -5.463   7.863
  194    HE2  TYR  30           HE2      TYR  30  -0.338  -3.240   5.417
  195    HH   TYR  30           HH       TYR  30  -0.648  -2.824   7.691
  196    H    CYS  31           H        CYS  31  -5.464  -8.195   1.853
  197    HA   CYS  31           HA       CYS  31  -4.258  -8.506  -0.883
  198   1HB   CYS  31          HB2       CYS  31  -5.433 -10.352   1.160
  199   2HB   CYS  31          HB3       CYS  31  -5.510 -10.787  -0.535
  200    H    SER  32           H        SER  32  -7.065  -7.300   0.592
  201    HA   SER  32           HA       SER  32  -8.773  -7.770  -1.779
  202   1HB   SER  32          HB2       SER  32  -9.272  -6.088   0.602
  203   2HB   SER  32          HB3       SER  32 -10.377  -6.566  -0.502
  204    HG   SER  32           HG       SER  32  -8.962  -8.169   1.238
  205   1HN   NH2  33          HN1       NH2  33  -6.207  -5.625  -1.135
  206   2HN   NH2  33          HN2       NH2  33  -6.808  -4.248  -2.036
  207    H1   NAG  34           H1       NAG  34  -9.114   8.145  11.275
  208    H2   NAG  34           H2       NAG  34  -9.122   7.349   8.349
  209    H3   NAG  34           H3       NAG  34  -7.491   6.058  10.571
  210    H4   NAG  34           H4       NAG  34  -6.601   7.753   8.203
  211    H5   NAG  34           H5       NAG  34  -6.777   8.341  11.196
  212   1H6   NAG  34          1H6       NAG  34  -6.132  10.689  10.398
  213   2H6   NAG  34          2H6       NAG  34  -5.488   9.919   8.940
  214   1H8   NAG  34          1H8       NAG  34 -11.274   3.748  10.307
  215   2H8   NAG  34          2H8       NAG  34 -11.468   4.192  12.022
  216   3H8   NAG  34          3H8       NAG  34 -12.363   5.096  10.773
  217    HN2  NAG  34           H2N      NAG  34 -10.782   5.844   9.013
  218    HO1  NAG  34           HO1      NAG  34 -11.089   8.423  10.086
  219    HO3  NAG  34           HO3      NAG  34  -6.833   4.815   8.966
  220    HO6  NAG  34           HO6      NAG  34  -3.913   9.042  10.129
  221    H1   NAG  35           H1       NAG  35  -5.252   5.875   7.723
  222    H2   NAG  35           H2       NAG  35  -2.744   6.137   9.364
  223    H3   NAG  35           H3       NAG  35  -3.210   4.422   6.893
  224    H4   NAG  35           H4       NAG  35  -2.669   3.686   9.817
  225    H5   NAG  35           H5       NAG  35  -5.026   3.275   7.924
  226   1H6   NAG  35          1H6       NAG  35  -4.827   1.356   9.439
  227   2H6   NAG  35          2H6       NAG  35  -6.193   2.376   9.913
  228   1H8   NAG  35          1H8       NAG  35  -2.874   9.260   5.897
  229   2H8   NAG  35          2H8       NAG  35  -1.813  10.083   7.073
  230   3H8   NAG  35          3H8       NAG  35  -1.225   8.637   6.207
  231    HN2  NAG  35           H2N      NAG  35  -2.582   6.741   6.485
  232    HO3  NAG  35           HO3      NAG  35  -1.272   5.444   7.001
  233    HO6  NAG  35           HO6      NAG  35  -4.801   3.332  11.474
  234    H1   NAG  36           H1       NAG  36  -2.170   1.202  10.077
  235    H2   NAG  36           H2       NAG  36  -0.961   0.589   7.390
  236    H3   NAG  36           H3       NAG  36  -0.202  -0.832   9.933
  237    H4   NAG  36           H4       NAG  36   1.254   1.174   8.149
  238    H5   NAG  36           H5       NAG  36   0.141   1.348  10.973
  239   1H6   NAG  36          1H6       NAG  36   0.943   3.763  10.771
  240   2H6   NAG  36          2H6       NAG  36   1.969   3.236   9.432
  241   1H8   NAG  36          1H8       NAG  36  -4.412  -2.360   6.282
  242   2H8   NAG  36          2H8       NAG  36  -3.886  -2.814   7.917
  243   3H8   NAG  36          3H8       NAG  36  -5.016  -1.446   7.685
  244    HN2  NAG  36           H2N      NAG  36  -2.682  -1.247   9.061
  245    HO4  NAG  36           HO4      NAG  36   2.711  -0.473   9.071
  246    HO3  NAG  36           HO3      NAG  36   1.423  -1.508   8.219
  247    HO6  NAG  36           HO6      NAG  36   2.084   2.501  12.165
  Start of MODEL   15
    1   1H    GLU   1           H1       GLU   1   1.824   6.063   5.182
    2   2H    GLU   1           H2       GLU   1   3.198   6.151   4.261
    3   3H    GLU   1           H3       GLU   1   3.162   5.182   5.592
    4    HA   GLU   1           HA       GLU   1   1.673   3.663   4.581
    5   1HB   GLU   1          HB2       GLU   1   1.364   5.870   2.687
    6   2HB   GLU   1          HB3       GLU   1   1.188   4.345   2.127
    7   1HG   GLU   1          HG2       GLU   1  -0.914   5.219   2.620
    8   2HG   GLU   1          HG3       GLU   1  -0.590   3.996   3.652
    9    H    GLN   2           H        GLN   2   2.561   1.984   3.214
   10    HA   GLN   2           HA       GLN   2   5.469   2.389   2.624
   11   1HB   GLN   2          HB2       GLN   2   3.762  -0.019   2.882
   12   2HB   GLN   2          HB3       GLN   2   5.306  -0.084   2.354
   13   1HG   GLN   2          HG2       GLN   2   6.154   0.274   4.395
   14   2HG   GLN   2          HG3       GLN   2   4.846   1.113   4.898
   15   1HE2  GLN   2          1HE2      GLN   2   6.389  -1.519   5.913
   16   2HE2  GLN   2          2HE2      GLN   2   4.944  -2.485   6.276
   17    H    CYS   3           H        CYS   3   2.435   1.275   1.153
   18    HA   CYS   3           HA       CYS   3   3.756   1.071  -1.526
   19   1HB   CYS   3          HB2       CYS   3   2.922  -1.173  -1.696
   20   2HB   CYS   3          HB3       CYS   3   3.676  -1.041  -0.117
   21    H    GLY   4           H        GLY   4   1.924   0.340  -3.174
   22   1HA   GLY   4          HA1       GLY   4  -0.077   0.759  -4.223
   23   2HA   GLY   4          HA2       GLY   4  -0.766   0.993  -2.608
   24    H    ARG   5           H        ARG   5  -2.018   2.434  -4.179
   25    HA   ARG   5           HA       ARG   5  -1.175   4.597  -5.571
   26   1HB   ARG   5          HB2       ARG   5  -3.629   4.778  -3.951
   27   2HB   ARG   5          HB3       ARG   5  -3.359   5.372  -5.448
   28   1HG   ARG   5          HG2       ARG   5  -4.487   3.631  -6.140
   29   2HG   ARG   5          HG3       ARG   5  -3.098   2.810  -5.887
   30   1HD   ARG   5          HD2       ARG   5  -5.518   2.683  -4.406
   31   2HD   ARG   5          HD3       ARG   5  -4.515   1.463  -4.822
   32    HE   ARG   5           HE       ARG   5  -3.928   3.307  -2.646
   33   1HH1  ARG   5          2HH2      ARG   5  -4.229  -0.132  -3.442
   34   2HH1  ARG   5          1HH2      ARG   5  -3.571  -0.550  -1.896
   35   1HH2  ARG   5          2HH1      ARG   5  -2.970   2.663  -0.894
   36   2HH2  ARG   5          1HH1      ARG   5  -2.882   0.978  -0.506
   37    H    GLN   6           H        GLN   6  -2.161   4.934  -2.168
   38    HA   GLN   6           HA       GLN   6  -1.439   7.629  -1.802
   39   1HB   GLN   6          HB2       GLN   6  -1.567   5.428   0.167
   40   2HB   GLN   6          HB3       GLN   6  -1.467   7.010   0.560
   41   1HG   GLN   6          HG2       GLN   6  -3.653   6.756   0.777
   42   2HG   GLN   6          HG3       GLN   6  -3.613   7.137  -0.811
   43   1HE2  GLN   6          1HE2      GLN   6  -5.582   5.464   0.828
   44   2HE2  GLN   6          2HE2      GLN   6  -5.588   3.932  -0.061
   45    H    ALA   7           H        ALA   7   0.765   4.936  -2.123
   46    HA   ALA   7           HA       ALA   7   2.963   6.778  -1.304
   47   1HB   ALA   7          HB1       ALA   7   2.942   3.771  -0.920
   48   2HB   ALA   7          HB2       ALA   7   4.193   4.920  -0.391
   49   3HB   ALA   7          HB3       ALA   7   2.595   4.950   0.363
   50    H    GLY   8           H        GLY   8   1.641   6.316  -3.966
   51   1HA   GLY   8          HA1       GLY   8   2.753   6.816  -5.977
   52   2HA   GLY   8          HA2       GLY   8   4.252   6.137  -5.350
   53    H    GLY   9           H        GLY   9   1.558   4.038  -4.951
   54   1HA   GLY   9          HA1       GLY   9   0.680   2.304  -6.277
   55   2HA   GLY   9          HA2       GLY   9   1.676   2.837  -7.628
   56    H    LYS  10           H        LYS  10   3.644   2.437  -4.898
   57    HA   LYS  10           HA       LYS  10   5.100   0.338  -6.168
   58   1HB   LYS  10          HB2       LYS  10   5.286   1.190  -3.335
   59   2HB   LYS  10          HB3       LYS  10   6.435   0.388  -4.174
   60   1HG   LYS  10          HG2       LYS  10   6.590   2.338  -5.634
   61   2HG   LYS  10          HG3       LYS  10   5.631   3.126  -4.574
   62   1HD   LYS  10          HD2       LYS  10   8.291   2.138  -4.068
   63   2HD   LYS  10          HD3       LYS  10   7.816   3.700  -4.033
   64   1HE   LYS  10          HE2       LYS  10   6.912   1.740  -2.126
   65   2HE   LYS  10          HE3       LYS  10   8.154   2.759  -1.836
   66   1HZ   LYS  10          HZ1       LYS  10   6.782   4.562  -1.707
   67   2HZ   LYS  10          HZ2       LYS  10   5.555   3.809  -2.463
   68   3HZ   LYS  10          HZ3       LYS  10   5.950   3.355  -0.932
   69    H    LEU  11           H        LEU  11   5.686  -1.738  -5.325
   70    HA   LEU  11           HA       LEU  11   3.425  -3.265  -4.129
   71   1HB   LEU  11          HB2       LEU  11   5.890  -4.225  -5.461
   72   2HB   LEU  11          HB3       LEU  11   4.628  -5.149  -4.990
   73    HG   LEU  11           HG       LEU  11   4.581  -3.122  -7.167
   74   1HD1  LEU  11          1HD1      LEU  11   5.731  -5.240  -7.727
   75   2HD1  LEU  11          2HD1      LEU  11   4.285  -6.151  -7.240
   76   3HD1  LEU  11          3HD1      LEU  11   4.218  -5.049  -8.629
   77   1HD2  LEU  11          1HD2      LEU  11   2.379  -3.145  -6.093
   78   2HD2  LEU  11          2HD2      LEU  11   2.289  -4.008  -7.628
   79   3HD2  LEU  11          3HD2      LEU  11   2.356  -4.928  -6.111
   80    H    CYS  12           H        CYS  12   4.558  -5.315  -2.889
   81    HA   CYS  12           HA       CYS  12   5.873  -4.001  -0.567
   82   1HB   CYS  12          HB2       CYS  12   3.712  -6.087  -0.903
   83   2HB   CYS  12          HB3       CYS  12   4.583  -5.930   0.615
   84    HA   PRO  13           HA       PRO  13   9.143  -6.975  -0.333
   85   1HB   PRO  13          HB2       PRO  13   8.369  -7.362   2.480
   86   2HB   PRO  13          HB3       PRO  13   9.846  -7.040   1.861
   87   1HG   PRO  13          HG2       PRO  13   8.531  -5.110   2.976
   88   2HG   PRO  13          HG3       PRO  13   9.373  -4.789   1.614
   89   1HD   PRO  13          HD2       PRO  13   6.539  -5.275   1.848
   90   2HD   PRO  13          HD3       PRO  13   7.278  -4.162   0.908
   91    H    ASN  14           H        ASN  14   9.570  -9.231  -0.115
   92    HA   ASN  14           HA       ASN  14   9.164 -11.449  -0.302
   93   1HB   ASN  14          HB2       ASN  14   8.473 -10.717   2.091
   94   2HB   ASN  14          HB3       ASN  14   6.998 -11.255   1.640
   95   1HD2  ASN  14          1HD2      ASN  14   7.213 -13.557   0.369
   96   2HD2  ASN  14          2HD2      ASN  14   8.157 -14.678   1.377
   97    H    ASN  15           H        ASN  15   6.907  -9.447  -1.632
   98    HA   ASN  15           HA       ASN  15   5.293  -9.703  -3.190
   99   1HB   ASN  15          HB2       ASN  15   5.203 -12.618  -2.813
  100   2HB   ASN  15          HB3       ASN  15   4.601 -11.750  -4.058
  101   1HD2  ASN  15          1HD2      ASN  15   7.393 -13.095  -2.651
  102   2HD2  ASN  15          2HD2      ASN  15   8.409 -12.945  -4.117
  103    H    LEU  16           H        LEU  16   5.001  -9.380  -0.187
  104    HA   LEU  16           HA       LEU  16   2.430 -10.529   0.469
  105   1HB   LEU  16          HB2       LEU  16   3.919  -8.167   1.458
  106   2HB   LEU  16          HB3       LEU  16   2.469  -8.603   2.070
  107    HG   LEU  16           HG       LEU  16   5.074  -9.919   2.415
  108   1HD1  LEU  16          1HD1      LEU  16   4.115  -8.257   4.083
  109   2HD1  LEU  16          2HD1      LEU  16   2.786  -9.404   4.373
  110   3HD1  LEU  16          3HD1      LEU  16   4.451  -9.865   4.755
  111   1HD2  LEU  16          1HD2      LEU  16   2.335 -11.207   2.726
  112   2HD2  LEU  16          2HD2      LEU  16   3.698 -11.772   1.712
  113   3HD2  LEU  16          3HD2      LEU  16   3.816 -11.836   3.481
  114    H    CYS  17           H        CYS  17   0.555  -9.133   0.972
  115    HA   CYS  17           HA       CYS  17  -0.372  -7.787  -1.462
  116   1HB   CYS  17          HB2       CYS  17  -1.676  -8.374   1.229
  117   2HB   CYS  17          HB3       CYS  17  -2.442  -7.560  -0.108
  118    H    CYS  18           H        CYS  18  -1.739  -5.758  -0.844
  119    HA   CYS  18           HA       CYS  18  -0.078  -3.779   0.553
  120   1HB   CYS  18          HB2       CYS  18   0.986  -3.869  -1.634
  121   2HB   CYS  18          HB3       CYS  18  -0.590  -3.756  -2.436
  122    H    SER  19           H        SER  19  -1.656  -3.018   1.808
  123    HA   SER  19           HA       SER  19  -4.359  -3.397   1.421
  124   1HB   SER  19          HB2       SER  19  -4.600  -2.081   3.339
  125   2HB   SER  19          HB3       SER  19  -3.140  -2.796   3.501
  126    HG   SER  19           HG       SER  19  -3.172  -0.656   4.122
  127    H    GLN  20           H        GLN  20  -6.134  -2.063   1.150
  128    HA   GLN  20           HA       GLN  20  -6.246  -0.169  -0.927
  129   1HB   GLN  20          HB2       GLN  20  -8.389   0.284  -0.091
  130   2HB   GLN  20          HB3       GLN  20  -8.127  -1.313   0.125
  131   1HG   GLN  20          HG2       GLN  20  -8.208   0.690   2.186
  132   2HG   GLN  20          HG3       GLN  20  -9.265  -0.540   1.988
  133   1HE2  GLN  20          1HE2      GLN  20  -8.240  -2.899   2.145
  134   2HE2  GLN  20          2HE2      GLN  20  -7.067  -3.008   3.457
  135    H    TRP  21           H        TRP  21  -5.438   0.360   2.521
  136    HA   TRP  21           HA       TRP  21  -5.212   3.230   2.043
  137   1HB   TRP  21          HB2       TRP  21  -5.221   1.552   4.323
  138   2HB   TRP  21          HB3       TRP  21  -4.076   2.710   4.436
  139    HD1  TRP  21           HD       TRP  21  -7.673   2.236   4.854
  140    HE1  TRP  21           HE1      TRP  21  -8.942   4.502   4.941
  141    HE3  TRP  21           HE3      TRP  21  -3.850   5.358   3.518
  142    HZ2  TRP  21           HZ2      TRP  21  -8.420   7.226   4.183
  143    HZ3  TRP  21           HZ3      TRP  21  -4.273   7.766   3.138
  144    HH2  TRP  21           HH       TRP  21  -6.539   8.724   3.501
  145    H    GLY  22           H        GLY  22  -2.858   0.571   2.052
  146   1HA   GLY  22          HA1       GLY  22  -1.013   1.183   0.389
  147   2HA   GLY  22          HA2       GLY  22  -0.780   2.657   1.331
  148    H    TRP  23           H        TRP  23  -1.331  -0.592   2.792
  149    HA   TRP  23           HA       TRP  23   1.542  -0.440   3.672
  150   1HB   TRP  23          HB2       TRP  23  -0.812  -1.057   5.321
  151   2HB   TRP  23          HB3       TRP  23   0.739  -1.026   5.829
  152    HD1  TRP  23           HD       TRP  23  -2.131   1.219   5.023
  153    HE1  TRP  23           HE1      TRP  23  -1.755   3.442   6.304
  154    HE3  TRP  23           HE3      TRP  23   2.788   0.754   6.089
  155    HZ2  TRP  23           HZ2      TRP  23   0.410   4.910   7.387
  156    HZ3  TRP  23           HZ3      TRP  23   4.041   2.576   7.283
  157    HH2  TRP  23           HH       TRP  23   2.833   4.632   7.996
  158    H    CYS  24           H        CYS  24   2.379  -2.535   4.480
  159    HA   CYS  24           HA       CYS  24   1.613  -4.504   2.419
  160   1HB   CYS  24          HB2       CYS  24   4.119  -4.078   4.068
  161   2HB   CYS  24          HB3       CYS  24   3.918  -5.370   2.878
  162    H    GLY  25           H        GLY  25   0.715  -6.437   2.824
  163   1HA   GLY  25          HA1       GLY  25   1.009  -7.707   5.500
  164   2HA   GLY  25          HA2       GLY  25  -0.603  -7.138   5.032
  165    H    SER  26           H        SER  26  -0.219  -9.825   5.634
  166    HA   SER  26           HA       SER  26  -0.219 -11.177   2.955
  167   1HB   SER  26          HB2       SER  26   0.563 -13.049   4.066
  168   2HB   SER  26          HB3       SER  26   1.421 -11.843   4.757
  169    HG   SER  26           HG       SER  26  -0.834 -13.050   5.770
  170    H    THR  27           H        THR  27  -2.552  -9.739   4.073
  171    HA   THR  27           HA       THR  27  -4.437 -11.930   4.773
  172    HB   THR  27           HB       THR  27  -5.038 -10.549   6.783
  173    HG1  THR  27           HG1      THR  27  -4.013  -8.760   7.162
  174   1HG2  THR  27          1HG2      THR  27  -3.163 -11.145   8.173
  175   2HG2  THR  27          2HG2      THR  27  -3.286 -12.423   6.942
  176   3HG2  THR  27          3HG2      THR  27  -2.040 -11.153   6.809
  177    H    ASP  28           H        ASP  28  -6.753 -11.096   4.845
  178    HA   ASP  28           HA       ASP  28  -7.063  -9.925   2.277
  179   1HB   ASP  28          HB2       ASP  28  -8.562 -11.560   3.300
  180   2HB   ASP  28          HB3       ASP  28  -9.197 -10.394   4.251
  181    H    GLU  29           H        GLU  29  -7.376  -8.401   5.508
  182    HA   GLU  29           HA       GLU  29  -8.407  -5.942   4.387
  183   1HB   GLU  29          HB2       GLU  29  -8.069  -5.070   6.490
  184   2HB   GLU  29          HB3       GLU  29  -8.601  -6.599   6.703
  185   1HG   GLU  29          HG2       GLU  29  -5.899  -5.745   7.137
  186   2HG   GLU  29          HG3       GLU  29  -6.995  -5.993   8.322
  187    H    TYR  30           H        TYR  30  -5.381  -7.383   3.976
  188    HA   TYR  30           HA       TYR  30  -4.262  -4.784   3.032
  189   1HB   TYR  30          HB2       TYR  30  -2.867  -7.247   3.823
  190   2HB   TYR  30          HB3       TYR  30  -2.139  -5.992   3.074
  191    HD1  TYR  30           HD1      TYR  30  -4.006  -6.873   6.082
  192    HD2  TYR  30           HD2      TYR  30  -1.131  -4.254   4.310
  193    HE1  TYR  30           HE1      TYR  30  -3.673  -5.763   8.286
  194    HE2  TYR  30           HE2      TYR  30  -0.852  -3.074   6.496
  195    HH   TYR  30           HH       TYR  30  -1.723  -2.796   8.554
  196    H    CYS  31           H        CYS  31  -5.314  -8.027   1.990
  197    HA   CYS  31           HA       CYS  31  -4.349  -7.552  -0.752
  198   1HB   CYS  31          HB2       CYS  31  -6.225  -9.664   0.328
  199   2HB   CYS  31          HB3       CYS  31  -5.381  -9.679  -1.205
  200    H    SER  32           H        SER  32  -7.255  -6.847   1.029
  201    HA   SER  32           HA       SER  32  -8.245  -5.447  -1.365
  202   1HB   SER  32          HB2       SER  32 -10.249  -6.595  -1.512
  203   2HB   SER  32          HB3       SER  32  -9.137  -7.785  -1.391
  204    HG   SER  32           HG       SER  32  -9.831  -8.387   0.529
  205   1HN   NH2  33          HN1       NH2  33  -9.872  -6.577   1.648
  206   2HN   NH2  33          HN2       NH2  33 -10.164  -4.972   2.283
  207    H1   NAG  34           H1       NAG  34 -10.696   8.120   8.902
  208    H2   NAG  34           H2       NAG  34  -9.772   7.152   6.184
  209    H3   NAG  34           H3       NAG  34  -8.941   6.284   8.979
  210    H4   NAG  34           H4       NAG  34  -7.484   7.631   6.636
  211    H5   NAG  34           H5       NAG  34  -8.347   8.486   9.432
  212   1H6   NAG  34          1H6       NAG  34  -6.317   9.607   9.184
  213   2H6   NAG  34          2H6       NAG  34  -7.558  10.772   8.717
  214   1H8   NAG  34          1H8       NAG  34 -12.321   3.555   7.470
  215   2H8   NAG  34          2H8       NAG  34 -13.396   4.712   6.619
  216   3H8   NAG  34          3H8       NAG  34 -12.541   3.444   5.707
  217    HN2  NAG  34           H2N      NAG  34 -11.792   5.969   8.023
  218    HO1  NAG  34           HO1      NAG  34 -12.248   8.211   7.184
  219    HO3  NAG  34           HO3      NAG  34  -7.736   4.807   7.894
  220    HO6  NAG  34           HO6      NAG  34  -5.492   9.714   7.338
  221    H1   NAG  35           H1       NAG  35  -6.066   5.769   6.642
  222    H2   NAG  35           H2       NAG  35  -3.837   6.379   8.588
  223    H3   NAG  35           H3       NAG  35  -3.868   4.415   6.267
  224    H4   NAG  35           H4       NAG  35  -3.725   3.920   9.281
  225    H5   NAG  35           H5       NAG  35  -5.803   3.305   7.121
  226   1H6   NAG  35          1H6       NAG  35  -5.805   1.497   8.775
  227   2H6   NAG  35          2H6       NAG  35  -7.222   2.531   8.995
  228   1H8   NAG  35          1H8       NAG  35  -2.497  10.005   6.059
  229   2H8   NAG  35          2H8       NAG  35  -1.926   8.465   5.364
  230   3H8   NAG  35          3H8       NAG  35  -3.466   9.195   4.803
  231    HN2  NAG  35           H2N      NAG  35  -3.217   6.649   5.732
  232    HO3  NAG  35           HO3      NAG  35  -1.977   5.470   6.574
  233    HO6  NAG  35           HO6      NAG  35  -6.033   3.614  10.652
  234    H1   NAG  36           H1       NAG  36  -3.505   1.403   9.769
  235    H2   NAG  36           H2       NAG  36  -1.831   0.535   7.432
  236    H3   NAG  36           H3       NAG  36  -1.655  -0.797  10.120
  237    H4   NAG  36           H4       NAG  36   0.241   1.085   8.623
  238    H5   NAG  36           H5       NAG  36  -1.483   1.294  11.129
  239   1H6   NAG  36          1H6       NAG  36   0.515   2.248  11.894
  240   2H6   NAG  36          2H6       NAG  36  -0.416   3.618  11.277
  241   1H8   NAG  36          1H8       NAG  36  -5.356  -2.114   5.847
  242   2H8   NAG  36          2H8       NAG  36  -4.778  -2.889   7.337
  243   3H8   NAG  36          3H8       NAG  36  -5.903  -1.499   7.423
  244    HN2  NAG  36           H2N      NAG  36  -3.908  -1.129   8.870
  245    HO4  NAG  36           HO4      NAG  36   1.374  -0.649   9.785
  246    HO3  NAG  36           HO3      NAG  36   0.249  -1.553   8.859
  247    HO6  NAG  36           HO6      NAG  36   0.846   3.433   9.352
  Start of MODEL   16
    1   1H    GLU   1           H1       GLU   1   3.321   5.872   5.202
    2   2H    GLU   1           H2       GLU   1   4.632   5.777   4.191
    3   3H    GLU   1           H3       GLU   1   4.498   4.735   5.458
    4    HA   GLU   1           HA       GLU   1   2.708   3.583   4.479
    5   1HB   GLU   1          HB2       GLU   1   2.629   5.950   2.773
    6   2HB   GLU   1          HB3       GLU   1   2.185   4.525   2.110
    7   1HG   GLU   1          HG2       GLU   1   0.265   5.586   2.851
    8   2HG   GLU   1          HG3       GLU   1   0.524   4.292   3.814
    9    H    GLN   2           H        GLN   2   3.050   1.982   2.752
   10    HA   GLN   2           HA       GLN   2   5.928   1.874   1.916
   11   1HB   GLN   2          HB2       GLN   2   3.930  -0.224   2.538
   12   2HB   GLN   2          HB3       GLN   2   5.367  -0.556   1.836
   13   1HG   GLN   2          HG2       GLN   2   6.540   0.045   3.702
   14   2HG   GLN   2          HG3       GLN   2   5.265   0.842   4.340
   15   1HE2  GLN   2          1HE2      GLN   2   6.939  -1.172   5.672
   16   2HE2  GLN   2          2HE2      GLN   2   5.794  -2.399   6.141
   17    H    CYS   3           H        CYS   3   2.676   0.901   0.868
   18    HA   CYS   3           HA       CYS   3   3.652   0.648  -1.958
   19   1HB   CYS   3          HB2       CYS   3   2.476  -1.494  -2.006
   20   2HB   CYS   3          HB3       CYS   3   3.614  -1.460  -0.663
   21    H    GLY   4           H        GLY   4   1.707   0.189  -3.459
   22   1HA   GLY   4          HA1       GLY   4  -0.335   0.759  -4.344
   23   2HA   GLY   4          HA2       GLY   4  -0.907   0.998  -2.689
   24    H    ARG   5           H        ARG   5  -2.133   2.535  -4.116
   25    HA   ARG   5           HA       ARG   5  -1.404   4.577  -5.652
   26   1HB   ARG   5          HB2       ARG   5  -3.479   5.063  -3.617
   27   2HB   ARG   5          HB3       ARG   5  -3.446   5.571  -5.169
   28   1HG   ARG   5          HG2       ARG   5  -4.819   3.929  -5.586
   29   2HG   ARG   5          HG3       ARG   5  -3.522   2.947  -5.445
   30   1HD   ARG   5          HD2       ARG   5  -5.552   3.436  -3.471
   31   2HD   ARG   5          HD3       ARG   5  -5.118   1.994  -4.106
   32    HE   ARG   5           HE       ARG   5  -3.439   3.464  -2.221
   33   1HH1  ARG   5          2HH2      ARG   5  -4.898   0.315  -2.924
   34   2HH1  ARG   5          1HH2      ARG   5  -4.052  -0.383  -1.583
   35   1HH2  ARG   5          2HH1      ARG   5  -2.354   2.455  -0.727
   36   2HH2  ARG   5          1HH1      ARG   5  -2.663   0.785  -0.386
   37    H    GLN   6           H        GLN   6  -1.899   5.312  -2.216
   38    HA   GLN   6           HA       GLN   6  -0.697   7.921  -2.452
   39   1HB   GLN   6          HB2       GLN   6  -1.094   8.037  -0.098
   40   2HB   GLN   6          HB3       GLN   6  -2.425   7.517  -0.890
   41   1HG   GLN   6          HG2       GLN   6  -0.741   5.606   0.403
   42   2HG   GLN   6          HG3       GLN   6  -1.828   6.442   1.291
   43   1HE2  GLN   6          1HE2      GLN   6  -4.031   5.807   1.333
   44   2HE2  GLN   6          2HE2      GLN   6  -4.534   4.384   0.406
   45    H    ALA   7           H        ALA   7   0.897   4.924  -2.302
   46    HA   ALA   7           HA       ALA   7   3.336   6.328  -1.297
   47   1HB   ALA   7          HB1       ALA   7   3.041   3.350  -1.654
   48   2HB   ALA   7          HB2       ALA   7   4.225   4.246  -0.681
   49   3HB   ALA   7          HB3       ALA   7   2.535   4.150  -0.152
   50    H    GLY   8           H        GLY   8   1.832   6.228  -4.104
   51   1HA   GLY   8          HA1       GLY   8   2.911   6.812  -6.125
   52   2HA   GLY   8          HA2       GLY   8   4.377   5.968  -5.628
   53    H    GLY   9           H        GLY   9   1.467   4.147  -5.104
   54   1HA   GLY   9          HA1       GLY   9   0.425   2.468  -6.364
   55   2HA   GLY   9          HA2       GLY   9   1.341   2.973  -7.782
   56    H    LYS  10           H        LYS  10   3.484   2.436  -5.209
   57    HA   LYS  10           HA       LYS  10   4.765   0.350  -6.660
   58   1HB   LYS  10          HB2       LYS  10   5.209   1.116  -3.831
   59   2HB   LYS  10          HB3       LYS  10   6.257   0.289  -4.772
   60   1HG   LYS  10          HG2       LYS  10   6.357   2.272  -6.206
   61   2HG   LYS  10          HG3       LYS  10   5.545   3.067  -5.033
   62   1HD   LYS  10          HD2       LYS  10   8.200   1.969  -4.852
   63   2HD   LYS  10          HD3       LYS  10   7.776   3.534  -4.659
   64   1HE   LYS  10          HE2       LYS  10   7.028   1.459  -2.805
   65   2HE   LYS  10          HE3       LYS  10   8.315   2.439  -2.577
   66   1HZ   LYS  10          HZ1       LYS  10   6.166   2.978  -1.446
   67   2HZ   LYS  10          HZ2       LYS  10   7.017   4.229  -2.133
   68   3HZ   LYS  10          HZ3       LYS  10   5.723   3.611  -2.897
   69    H    LEU  11           H        LEU  11   5.367  -1.751  -5.980
   70    HA   LEU  11           HA       LEU  11   3.257  -3.343  -4.664
   71   1HB   LEU  11          HB2       LEU  11   5.871  -4.161  -5.794
   72   2HB   LEU  11          HB3       LEU  11   4.673  -5.167  -5.327
   73    HG   LEU  11           HG       LEU  11   4.562  -3.298  -7.638
   74   1HD1  LEU  11          1HD1      LEU  11   5.957  -5.310  -7.993
   75   2HD1  LEU  11          2HD1      LEU  11   4.588  -6.341  -7.522
   76   3HD1  LEU  11          3HD1      LEU  11   4.490  -5.341  -8.985
   77   1HD2  LEU  11          1HD2      LEU  11   2.315  -3.493  -6.679
   78   2HD2  LEU  11          2HD2      LEU  11   2.406  -4.447  -8.161
   79   3HD2  LEU  11          3HD2      LEU  11   2.476  -5.265  -6.587
   80    H    CYS  12           H        CYS  12   4.465  -5.196  -3.233
   81    HA   CYS  12           HA       CYS  12   5.573  -3.671  -0.929
   82   1HB   CYS  12          HB2       CYS  12   3.847  -6.106  -1.290
   83   2HB   CYS  12          HB3       CYS  12   4.797  -5.956   0.183
   84    HA   PRO  13           HA       PRO  13   9.183  -6.463  -0.673
   85   1HB   PRO  13          HB2       PRO  13   8.677  -6.223   2.201
   86   2HB   PRO  13          HB3       PRO  13  10.071  -5.983   1.385
   87   1HG   PRO  13          HG2       PRO  13   8.767  -3.920   2.270
   88   2HG   PRO  13          HG3       PRO  13   9.495  -3.822   0.812
   89   1HD   PRO  13          HD2       PRO  13   6.710  -4.403   1.338
   90   2HD   PRO  13          HD3       PRO  13   7.306  -3.375   0.217
   91    H    ASN  14           H        ASN  14   9.521  -8.492   0.906
   92    HA   ASN  14           HA       ASN  14   8.897 -10.576   1.598
   93   1HB   ASN  14          HB2       ASN  14   6.417  -9.149   2.350
   94   2HB   ASN  14          HB3       ASN  14   6.940 -10.557   2.991
   95   1HD2  ASN  14          1HD2      ASN  14   6.456  -7.671   4.217
   96   2HD2  ASN  14          2HD2      ASN  14   7.980  -7.502   5.034
   97    H    ASN  15           H        ASN  15   7.419  -9.427  -1.139
   98    HA   ASN  15           HA       ASN  15   6.109 -10.296  -2.768
   99   1HB   ASN  15          HB2       ASN  15   7.492 -12.372  -2.201
  100   2HB   ASN  15          HB3       ASN  15   6.130 -12.948  -1.507
  101   1HD2  ASN  15          1HD2      ASN  15   4.092 -12.671  -2.953
  102   2HD2  ASN  15          2HD2      ASN  15   4.375 -13.235  -4.622
  103    H    LEU  16           H        LEU  16   5.056  -9.077  -0.233
  104    HA   LEU  16           HA       LEU  16   2.512 -10.582   0.114
  105   1HB   LEU  16          HB2       LEU  16   3.897  -8.487   1.653
  106   2HB   LEU  16          HB3       LEU  16   2.345  -8.886   1.970
  107    HG   LEU  16           HG       LEU  16   4.707 -10.670   2.205
  108   1HD1  LEU  16          1HD1      LEU  16   4.268  -9.038   4.059
  109   2HD1  LEU  16          2HD1      LEU  16   2.657  -9.766   4.272
  110   3HD1  LEU  16          3HD1      LEU  16   4.116 -10.730   4.570
  111   1HD2  LEU  16          1HD2      LEU  16   1.766 -11.343   2.394
  112   2HD2  LEU  16          2HD2      LEU  16   3.030 -12.143   1.421
  113   3HD2  LEU  16          3HD2      LEU  16   3.041 -12.322   3.169
  114    H    CYS  17           H        CYS  17   0.614  -9.105   0.704
  115    HA   CYS  17           HA       CYS  17  -0.040  -7.621  -1.776
  116   1HB   CYS  17          HB2       CYS  17  -1.396  -9.559  -0.416
  117   2HB   CYS  17          HB3       CYS  17  -2.063  -8.140   0.353
  118    H    CYS  18           H        CYS  18  -1.838  -5.814  -1.054
  119    HA   CYS  18           HA       CYS  18  -0.323  -3.919   0.692
  120   1HB   CYS  18          HB2       CYS  18   0.481  -3.730  -1.642
  121   2HB   CYS  18          HB3       CYS  18  -1.184  -3.464  -2.185
  122    H    SER  19           H        SER  19  -1.615  -2.883   2.025
  123    HA   SER  19           HA       SER  19  -4.413  -3.100   2.048
  124   1HB   SER  19          HB2       SER  19  -4.275  -1.786   3.937
  125   2HB   SER  19          HB3       SER  19  -2.802  -2.492   3.901
  126    HG   SER  19           HG       SER  19  -2.743  -0.323   4.443
  127    H    GLN  20           H        GLN  20  -5.863  -1.110   2.385
  128    HA   GLN  20           HA       GLN  20  -6.016   0.409  -0.098
  129   1HB   GLN  20          HB2       GLN  20  -7.562   0.759   2.398
  130   2HB   GLN  20          HB3       GLN  20  -7.959   1.334   0.922
  131   1HG   GLN  20          HG2       GLN  20  -9.316  -0.488   1.243
  132   2HG   GLN  20          HG3       GLN  20  -8.168  -0.990   0.195
  133   1HE2  GLN  20          1HE2      GLN  20  -8.566  -3.282   0.737
  134   2HE2  GLN  20          2HE2      GLN  20  -7.873  -3.822   2.279
  135    H    TRP  21           H        TRP  21  -4.703   0.927   3.125
  136    HA   TRP  21           HA       TRP  21  -4.271   3.787   2.559
  137   1HB   TRP  21          HB2       TRP  21  -4.501   2.304   4.936
  138   2HB   TRP  21          HB3       TRP  21  -3.153   3.226   4.963
  139    HD1  TRP  21           HD       TRP  21  -6.761   3.464   5.458
  140    HE1  TRP  21           HE1      TRP  21  -7.599   5.911   5.417
  141    HE3  TRP  21           HE3      TRP  21  -2.443   5.776   3.970
  142    HZ2  TRP  21           HZ2      TRP  21  -6.620   8.445   4.436
  143    HZ3  TRP  21           HZ3      TRP  21  -2.410   8.212   3.542
  144    HH2  TRP  21           HH       TRP  21  -4.485   9.558   3.763
  145    H    GLY  22           H        GLY  22  -2.486   0.826   2.291
  146   1HA   GLY  22          HA1       GLY  22  -0.729   1.043   0.552
  147   2HA   GLY  22          HA2       GLY  22  -0.190   2.539   1.324
  148    H    TRP  23           H        TRP  23  -1.039  -0.520   3.031
  149    HA   TRP  23           HA       TRP  23   1.879  -0.724   3.735
  150   1HB   TRP  23          HB2       TRP  23  -0.462  -0.886   5.511
  151   2HB   TRP  23          HB3       TRP  23   1.092  -1.114   5.961
  152    HD1  TRP  23           HD       TRP  23  -1.393   1.570   5.290
  153    HE1  TRP  23           HE1      TRP  23  -0.522   3.696   6.497
  154    HE3  TRP  23           HE3      TRP  23   3.440   0.258   5.879
  155    HZ2  TRP  23           HZ2      TRP  23   1.947   4.732   7.428
  156    HZ3  TRP  23           HZ3      TRP  23   5.098   1.812   6.972
  157    HH2  TRP  23           HH       TRP  23   4.324   4.022   7.819
  158    H    CYS  24           H        CYS  24   2.638  -2.815   4.264
  159    HA   CYS  24           HA       CYS  24   1.389  -4.588   2.363
  160   1HB   CYS  24          HB2       CYS  24   3.972  -4.727   3.939
  161   2HB   CYS  24          HB3       CYS  24   3.536  -5.853   2.642
  162    H    GLY  25           H        GLY  25   0.749  -6.796   2.544
  163   1HA   GLY  25          HA1       GLY  25   0.781  -8.084   5.185
  164   2HA   GLY  25          HA2       GLY  25  -0.794  -7.435   4.730
  165    H    SER  26           H        SER  26  -0.479 -10.076   5.311
  166    HA   SER  26           HA       SER  26  -0.551 -11.520   2.691
  167   1HB   SER  26          HB2       SER  26   0.294 -13.334   3.857
  168   2HB   SER  26          HB3       SER  26   1.142 -12.096   4.503
  169    HG   SER  26           HG       SER  26  -1.078 -13.317   5.574
  170    H    THR  27           H        THR  27  -2.848 -10.037   3.978
  171    HA   THR  27           HA       THR  27  -4.652 -12.307   4.663
  172    HB   THR  27           HB       THR  27  -5.386 -11.009   6.636
  173    HG1  THR  27           HG1      THR  27  -4.905  -8.978   6.341
  174   1HG2  THR  27          1HG2      THR  27  -3.473 -12.667   6.858
  175   2HG2  THR  27          2HG2      THR  27  -2.343 -11.297   6.681
  176   3HG2  THR  27          3HG2      THR  27  -3.458 -11.346   8.050
  177    H    ASP  28           H        ASP  28  -6.922 -11.768   4.608
  178    HA   ASP  28           HA       ASP  28  -7.496 -10.900   2.114
  179   1HB   ASP  28          HB2       ASP  28  -9.423 -10.989   4.356
  180   2HB   ASP  28          HB3       ASP  28  -9.745 -11.254   2.777
  181    H    GLU  29           H        GLU  29  -7.560  -8.807   4.982
  182    HA   GLU  29           HA       GLU  29  -9.056  -6.689   3.520
  183   1HB   GLU  29          HB2       GLU  29  -8.394  -5.634   5.851
  184   2HB   GLU  29          HB3       GLU  29  -9.795  -6.424   5.567
  185   1HG   GLU  29          HG2       GLU  29  -8.916  -7.082   7.639
  186   2HG   GLU  29          HG3       GLU  29  -8.921  -8.356   6.617
  187    H    TYR  30           H        TYR  30  -5.825  -7.423   4.845
  188    HA   TYR  30           HA       TYR  30  -4.627  -4.998   3.741
  189   1HB   TYR  30          HB2       TYR  30  -3.582  -7.514   4.766
  190   2HB   TYR  30          HB3       TYR  30  -2.598  -6.616   3.821
  191    HD1  TYR  30           HD1      TYR  30  -4.379  -6.721   6.988
  192    HD2  TYR  30           HD2      TYR  30  -1.576  -4.563   4.539
  193    HE1  TYR  30           HE1      TYR  30  -3.951  -5.144   8.862
  194    HE2  TYR  30           HE2      TYR  30  -1.156  -2.981   6.423
  195    HH   TYR  30           HH       TYR  30  -1.598  -2.469   8.571
  196    H    CYS  31           H        CYS  31  -5.614  -8.013   2.230
  197    HA   CYS  31           HA       CYS  31  -4.126  -7.209  -0.191
  198   1HB   CYS  31          HB2       CYS  31  -4.158  -9.526   0.813
  199   2HB   CYS  31          HB3       CYS  31  -5.796  -9.698   0.193
  200    H    SER  32           H        SER  32  -7.512  -7.284   0.895
  201    HA   SER  32           HA       SER  32  -8.799  -6.981  -1.591
  202   1HB   SER  32          HB2       SER  32  -9.442  -5.801   1.037
  203   2HB   SER  32          HB3       SER  32 -10.420  -5.635  -0.260
  204    HG   SER  32           HG       SER  32  -9.638  -8.001   0.942
  205   1HN   NH2  33          HN1       NH2  33  -6.826  -5.841  -2.629
  206   2HN   NH2  33          HN2       NH2  33  -6.927  -4.095  -2.716
  207    H1   NAG  34           H1       NAG  34  -8.179  10.214   9.035
  208    H2   NAG  34           H2       NAG  34  -7.712   8.626   6.495
  209    H3   NAG  34           H3       NAG  34  -6.962   8.068   9.390
  210    H4   NAG  34           H4       NAG  34  -5.361   8.546   6.824
  211    H5   NAG  34           H5       NAG  34  -5.671  10.206   9.349
  212   1H6   NAG  34          1H6       NAG  34  -3.446  10.465   8.137
  213   2H6   NAG  34          2H6       NAG  34  -4.450  11.921   8.135
  214   1H8   NAG  34          1H8       NAG  34 -10.939   5.954   8.323
  215   2H8   NAG  34          2H8       NAG  34 -11.778   7.224   7.371
  216   3H8   NAG  34          3H8       NAG  34 -11.291   5.695   6.596
  217    HN2  NAG  34           H2N      NAG  34  -9.842   8.233   8.547
  218    HO1  NAG  34           HO1      NAG  34  -9.837  10.397   7.425
  219    HO3  NAG  34           HO3      NAG  34  -6.140   6.185   8.532
  220    HO6  NAG  34           HO6      NAG  34  -5.286  11.137   6.108
  221    H1   NAG  35           H1       NAG  35  -4.309   6.578   7.069
  222    H2   NAG  35           H2       NAG  35  -2.037   6.832   9.050
  223    H3   NAG  35           H3       NAG  35  -2.499   5.007   6.651
  224    H4   NAG  35           H4       NAG  35  -2.243   4.443   9.643
  225    H5   NAG  35           H5       NAG  35  -4.561   4.212   7.662
  226   1H6   NAG  35          1H6       NAG  35  -4.747   2.476   9.368
  227   2H6   NAG  35          2H6       NAG  35  -5.937   3.748   9.669
  228   1H8   NAG  35          1H8       NAG  35  -0.137  10.392   6.754
  229   2H8   NAG  35          2H8       NAG  35   0.153   8.875   5.851
  230   3H8   NAG  35          3H8       NAG  35  -1.364   9.805   5.596
  231    HN2  NAG  35           H2N      NAG  35  -1.513   7.258   6.153
  232    HO3  NAG  35           HO3      NAG  35  -0.445   5.764   6.839
  233    HO6  NAG  35           HO6      NAG  35  -4.456   4.620  11.204
  234    H1   NAG  36           H1       NAG  36  -2.316   1.946  10.126
  235    H2   NAG  36           H2       NAG  36  -1.074   0.852   7.617
  236    H3   NAG  36           H3       NAG  36  -0.856  -0.501  10.296
  237    H4   NAG  36           H4       NAG  36   1.151   0.989   8.534
  238    H5   NAG  36           H5       NAG  36  -0.114   1.596  11.222
  239   1H6   NAG  36          1H6       NAG  36   1.327   3.639  11.165
  240   2H6   NAG  36          2H6       NAG  36   2.199   2.964   9.781
  241   1H8   NAG  36          1H8       NAG  36  -4.572  -1.999   7.842
  242   2H8   NAG  36          2H8       NAG  36  -5.412  -0.424   7.945
  243   3H8   NAG  36          3H8       NAG  36  -5.114  -1.180   6.361
  244    HN2  NAG  36           H2N      NAG  36  -3.272  -0.448   9.231
  245    HO4  NAG  36           HO4      NAG  36   2.140  -0.872   9.657
  246    HO3  NAG  36           HO3      NAG  36   0.629  -1.701   8.749
  247    HO6  NAG  36           HO6      NAG  36   2.264   1.082  11.537
  Start of MODEL   17
    1   1H    GLU   1           H1       GLU   1   3.395   6.435   2.708
    2   2H    GLU   1           H2       GLU   1   1.948   6.786   3.485
    3   3H    GLU   1           H3       GLU   1   1.986   6.481   1.845
    4    HA   GLU   1           HA       GLU   1   2.350   4.676   4.114
    5   1HB   GLU   1          HB2       GLU   1   0.697   4.264   1.714
    6   2HB   GLU   1          HB3       GLU   1   0.577   3.519   3.163
    7   1HG   GLU   1          HG2       GLU   1  -0.218   6.212   2.540
    8   2HG   GLU   1          HG3       GLU   1  -1.188   5.004   3.058
    9    H    GLN   2           H        GLN   2   2.420   2.183   2.547
   10    HA   GLN   2           HA       GLN   2   5.260   2.557   1.660
   11   1HB   GLN   2          HB2       GLN   2   4.574   0.933   3.489
   12   2HB   GLN   2          HB3       GLN   2   4.060  -0.043   2.284
   13   1HG   GLN   2          HG2       GLN   2   6.717   0.910   2.069
   14   2HG   GLN   2          HG3       GLN   2   6.446  -0.195   3.240
   15   1HE2  GLN   2          1HE2      GLN   2   6.071   0.231  -0.297
   16   2HE2  GLN   2          2HE2      GLN   2   6.352  -1.472  -0.618
   17    H    CYS   3           H        CYS   3   2.176   1.178   0.611
   18    HA   CYS   3           HA       CYS   3   3.340   0.677  -2.100
   19   1HB   CYS   3          HB2       CYS   3   3.180  -1.413  -0.992
   20   2HB   CYS   3          HB3       CYS   3   1.592  -1.051  -0.327
   21    H    GLY   4           H        GLY   4   1.746   0.647  -3.837
   22   1HA   GLY   4          HA1       GLY   4  -0.158   1.284  -4.956
   23   2HA   GLY   4          HA2       GLY   4  -0.984   1.317  -3.393
   24    H    ARG   5           H        ARG   5  -2.155   3.025  -4.430
   25    HA   ARG   5           HA       ARG   5  -1.299   5.421  -5.474
   26   1HB   ARG   5          HB2       ARG   5  -3.623   5.294  -3.663
   27   2HB   ARG   5          HB3       ARG   5  -3.440   6.202  -5.009
   28   1HG   ARG   5          HG2       ARG   5  -4.625   4.699  -6.048
   29   2HG   ARG   5          HG3       ARG   5  -3.322   3.720  -5.944
   30   1HD   ARG   5          HD2       ARG   5  -5.656   3.692  -4.275
   31   2HD   ARG   5          HD3       ARG   5  -5.043   2.451  -5.142
   32    HE   ARG   5           HE       ARG   5  -3.847   3.462  -2.685
   33   1HH1  ARG   5          2HH2      ARG   5  -4.683   0.597  -4.533
   34   2HH1  ARG   5          1HH2      ARG   5  -4.158  -0.439  -3.248
   35   1HH2  ARG   5          2HH1      ARG   5  -3.134   2.161  -1.192
   36   2HH2  ARG   5          1HH1      ARG   5  -3.283   0.444  -1.362
   37    H    GLN   6           H        GLN   6  -1.941   4.864  -2.000
   38    HA   GLN   6           HA       GLN   6  -1.035   7.497  -1.249
   39   1HB   GLN   6          HB2       GLN   6  -1.520   5.181   0.496
   40   2HB   GLN   6          HB3       GLN   6  -1.511   6.757   0.925
   41   1HG   GLN   6          HG2       GLN   6  -3.695   6.449   0.842
   42   2HG   GLN   6          HG3       GLN   6  -3.449   6.871  -0.717
   43   1HE2  GLN   6          1HE2      GLN   6  -5.680   5.357   0.339
   44   2HE2  GLN   6          2HE2      GLN   6  -5.593   3.772  -0.417
   45    H    ALA   7           H        ALA   7   0.892   5.018  -2.328
   46    HA   ALA   7           HA       ALA   7   3.180   6.233  -0.829
   47   1HB   ALA   7          HB1       ALA   7   3.077   3.492  -2.135
   48   2HB   ALA   7          HB2       ALA   7   4.370   4.169  -1.116
   49   3HB   ALA   7          HB3       ALA   7   2.777   3.797  -0.410
   50    H    GLY   8           H        GLY   8   1.508   6.619  -3.639
   51   1HA   GLY   8          HA1       GLY   8   2.098   7.306  -5.755
   52   2HA   GLY   8          HA2       GLY   8   3.757   7.529  -5.189
   53    H    GLY   9           H        GLY   9   1.676   4.643  -5.397
   54   1HA   GLY   9          HA1       GLY   9   1.514   3.073  -7.111
   55   2HA   GLY   9          HA2       GLY   9   2.796   3.909  -7.981
   56    H    LYS  10           H        LYS  10   3.811   3.040  -4.839
   57    HA   LYS  10           HA       LYS  10   5.672   1.098  -6.038
   58   1HB   LYS  10          HB2       LYS  10   5.511   2.322  -3.339
   59   2HB   LYS  10          HB3       LYS  10   6.692   1.286  -3.787
   60   1HG   LYS  10          HG2       LYS  10   7.531   2.741  -5.350
   61   2HG   LYS  10          HG3       LYS  10   6.155   3.622  -5.381
   62   1HD   LYS  10          HD2       LYS  10   6.725   4.314  -3.079
   63   2HD   LYS  10          HD3       LYS  10   8.209   3.695  -3.369
   64   1HE   LYS  10          HE2       LYS  10   8.340   5.966  -3.870
   65   2HE   LYS  10          HE3       LYS  10   8.358   5.176  -5.300
   66   1HZ   LYS  10          HZ1       LYS  10   6.884   7.081  -5.317
   67   2HZ   LYS  10          HZ2       LYS  10   6.073   5.692  -5.654
   68   3HZ   LYS  10          HZ3       LYS  10   5.982   6.318  -4.162
   69    H    LEU  11           H        LEU  11   6.257  -0.880  -4.575
   70    HA   LEU  11           HA       LEU  11   3.690  -2.376  -4.179
   71   1HB   LEU  11          HB2       LEU  11   6.211  -3.308  -5.411
   72   2HB   LEU  11          HB3       LEU  11   4.880  -4.225  -5.176
   73    HG   LEU  11           HG       LEU  11   5.035  -1.877  -7.001
   74   1HD1  LEU  11          1HD1      LEU  11   4.821  -4.856  -7.599
   75   2HD1  LEU  11          2HD1      LEU  11   4.839  -3.538  -8.791
   76   3HD1  LEU  11          3HD1      LEU  11   6.277  -3.858  -7.806
   77   1HD2  LEU  11          1HD2      LEU  11   2.815  -2.686  -7.811
   78   2HD2  LEU  11          2HD2      LEU  11   2.769  -3.861  -6.482
   79   3HD2  LEU  11          3HD2      LEU  11   2.741  -2.113  -6.147
   80    H    CYS  12           H        CYS  12   4.153  -4.583  -3.087
   81    HA   CYS  12           HA       CYS  12   5.512  -3.990  -0.525
   82   1HB   CYS  12          HB2       CYS  12   3.376  -5.964  -1.422
   83   2HB   CYS  12          HB3       CYS  12   4.109  -6.008   0.173
   84    HA   PRO  13           HA       PRO  13   8.633  -6.848  -1.407
   85   1HB   PRO  13          HB2       PRO  13   9.538  -7.450   1.012
   86   2HB   PRO  13          HB3       PRO  13   9.594  -5.909   0.475
   87   1HG   PRO  13          HG2       PRO  13   7.609  -7.064   2.249
   88   2HG   PRO  13          HG3       PRO  13   8.383  -5.638   2.440
   89   1HD   PRO  13          HD2       PRO  13   5.992  -5.712   1.368
   90   2HD   PRO  13          HD3       PRO  13   7.075  -4.584   0.897
   91    H    ASN  14           H        ASN  14   9.577  -8.886  -1.111
   92    HA   ASN  14           HA       ASN  14   9.627 -11.104  -1.468
   93   1HB   ASN  14          HB2       ASN  14   8.640 -10.827   1.299
   94   2HB   ASN  14          HB3       ASN  14   9.351 -12.174   0.709
   95   1HD2  ASN  14          1HD2      ASN  14  10.901 -11.845   2.558
   96   2HD2  ASN  14          2HD2      ASN  14  12.213 -10.713   2.197
   97    H    ASN  15           H        ASN  15   6.562 -10.767   0.254
   98    HA   ASN  15           HA       ASN  15   5.154 -12.623  -1.522
   99   1HB   ASN  15          HB2       ASN  15   5.097 -14.429   0.056
  100   2HB   ASN  15          HB3       ASN  15   6.655 -14.095  -0.302
  101   1HD2  ASN  15          1HD2      ASN  15   4.188 -13.418   2.060
  102   2HD2  ASN  15          2HD2      ASN  15   5.323 -13.398   3.442
  103    H    LEU  16           H        LEU  16   4.776  -9.899   0.045
  104    HA   LEU  16           HA       LEU  16   2.274 -10.672   1.479
  105   1HB   LEU  16          HB2       LEU  16   3.881  -8.191   1.508
  106   2HB   LEU  16          HB3       LEU  16   2.511  -8.432   2.364
  107    HG   LEU  16           HG       LEU  16   5.067  -9.894   2.772
  108   1HD1  LEU  16          1HD1      LEU  16   3.643  -7.820   4.493
  109   2HD1  LEU  16          2HD1      LEU  16   5.150  -8.668   4.898
  110   3HD1  LEU  16          3HD1      LEU  16   5.109  -7.549   3.523
  111   1HD2  LEU  16          1HD2      LEU  16   2.445 -10.053   4.345
  112   2HD2  LEU  16          2HD2      LEU  16   3.172 -11.350   3.370
  113   3HD2  LEU  16          3HD2      LEU  16   3.980 -10.778   4.829
  114    H    CYS  17           H        CYS  17   0.505  -9.167   1.273
  115    HA   CYS  17           HA       CYS  17   0.006  -8.223  -1.494
  116   1HB   CYS  17          HB2       CYS  17  -1.557  -9.852   0.032
  117   2HB   CYS  17          HB3       CYS  17  -2.138  -8.308   0.578
  118    H    CYS  18           H        CYS  18  -1.847  -6.377  -0.901
  119    HA   CYS  18           HA       CYS  18  -0.360  -4.144   0.351
  120   1HB   CYS  18          HB2       CYS  18   0.502  -4.334  -1.924
  121   2HB   CYS  18          HB3       CYS  18  -1.132  -4.341  -2.578
  122    H    SER  19           H        SER  19  -1.770  -3.154   1.566
  123    HA   SER  19           HA       SER  19  -4.585  -3.477   1.416
  124   1HB   SER  19          HB2       SER  19  -4.592  -2.261   3.336
  125   2HB   SER  19          HB3       SER  19  -3.035  -2.752   3.365
  126    HG   SER  19           HG       SER  19  -3.298  -0.568   3.902
  127    H    GLN  20           H        GLN  20  -6.222  -1.992   0.901
  128    HA   GLN  20           HA       GLN  20  -5.514  -0.106  -1.212
  129   1HB   GLN  20          HB2       GLN  20  -8.015  -1.085  -0.080
  130   2HB   GLN  20          HB3       GLN  20  -8.017   0.207  -1.079
  131   1HG   GLN  20          HG2       GLN  20  -8.206  -2.231  -1.968
  132   2HG   GLN  20          HG3       GLN  20  -7.584  -1.020  -2.870
  133   1HE2  GLN  20          1HE2      GLN  20  -6.757  -3.881  -0.996
  134   2HE2  GLN  20          2HE2      GLN  20  -5.064  -3.911  -1.551
  135    H    TRP  21           H        TRP  21  -5.244   0.200   2.082
  136    HA   TRP  21           HA       TRP  21  -5.309   3.151   1.811
  137   1HB   TRP  21          HB2       TRP  21  -5.528   1.489   4.037
  138   2HB   TRP  21          HB3       TRP  21  -4.191   2.409   4.218
  139    HD1  TRP  21           HD       TRP  21  -7.875   2.589   4.310
  140    HE1  TRP  21           HE1      TRP  21  -8.693   5.021   4.650
  141    HE3  TRP  21           HE3      TRP  21  -3.396   5.027   3.894
  142    HZ2  TRP  21           HZ2      TRP  21  -7.578   7.659   4.489
  143    HZ3  TRP  21           HZ3      TRP  21  -3.310   7.498   3.913
  144    HH2  TRP  21           HH       TRP  21  -5.383   8.832   4.259
  145    H    GLY  22           H        GLY  22  -3.088   0.460   1.428
  146   1HA   GLY  22          HA1       GLY  22  -1.228   1.011  -0.034
  147   2HA   GLY  22          HA2       GLY  22  -0.978   2.525   0.836
  148    H    TRP  23           H        TRP  23  -1.529  -0.627   2.484
  149    HA   TRP  23           HA       TRP  23   1.372  -0.516   3.308
  150   1HB   TRP  23          HB2       TRP  23  -1.040  -0.854   4.959
  151   2HB   TRP  23          HB3       TRP  23   0.487  -1.052   5.504
  152    HD1  TRP  23           HD       TRP  23  -2.024   1.608   4.764
  153    HE1  TRP  23           HE1      TRP  23  -1.084   3.876   5.662
  154    HE3  TRP  23           HE3      TRP  23   2.850   0.354   5.267
  155    HZ2  TRP  23           HZ2      TRP  23   1.392   4.893   6.650
  156    HZ3  TRP  23           HZ3      TRP  23   4.534   1.996   6.132
  157    HH2  TRP  23           HH       TRP  23   3.792   4.261   6.852
  158    H    CYS  24           H        CYS  24   2.220  -2.572   4.246
  159    HA   CYS  24           HA       CYS  24   1.296  -4.579   2.286
  160   1HB   CYS  24          HB2       CYS  24   3.914  -4.117   3.723
  161   2HB   CYS  24          HB3       CYS  24   3.624  -5.413   2.549
  162    H    GLY  25           H        GLY  25   0.591  -6.561   2.679
  163   1HA   GLY  25          HA1       GLY  25   1.235  -8.049   5.075
  164   2HA   GLY  25          HA2       GLY  25  -0.386  -7.330   5.166
  165    H    SER  26           H        SER  26   0.194 -10.219   5.123
  166    HA   SER  26           HA       SER  26  -0.557 -11.125   2.426
  167   1HB   SER  26          HB2       SER  26  -0.294 -13.280   3.760
  168   2HB   SER  26          HB3       SER  26   1.060 -12.408   3.489
  169    HG   SER  26           HG       SER  26   0.776 -13.131   5.681
  170    H    THR  27           H        THR  27  -2.367  -9.860   4.915
  171    HA   THR  27           HA       THR  27  -4.386 -12.004   5.033
  172    HB   THR  27           HB       THR  27  -5.042 -10.651   7.068
  173    HG1  THR  27           HG1      THR  27  -4.064  -8.843   7.425
  174   1HG2  THR  27          1HG2      THR  27  -2.045 -11.326   6.943
  175   2HG2  THR  27          2HG2      THR  27  -3.055 -11.214   8.395
  176   3HG2  THR  27          3HG2      THR  27  -3.338 -12.520   7.222
  177    H    ASP  28           H        ASP  28  -6.719 -11.186   5.258
  178    HA   ASP  28           HA       ASP  28  -7.389 -10.171   2.727
  179   1HB   ASP  28          HB2       ASP  28  -8.815 -11.531   4.160
  180   2HB   ASP  28          HB3       ASP  28  -9.106 -10.251   5.133
  181    H    GLU  29           H        GLU  29  -7.581  -8.435   5.885
  182    HA   GLU  29           HA       GLU  29  -8.347  -5.936   4.699
  183   1HB   GLU  29          HB2       GLU  29  -8.061  -5.100   6.836
  184   2HB   GLU  29          HB3       GLU  29  -8.665  -6.606   7.017
  185   1HG   GLU  29          HG2       GLU  29  -5.944  -5.861   7.548
  186   2HG   GLU  29          HG3       GLU  29  -7.081  -6.115   8.692
  187    H    TYR  30           H        TYR  30  -5.364  -7.513   4.428
  188    HA   TYR  30           HA       TYR  30  -4.059  -4.936   3.655
  189   1HB   TYR  30          HB2       TYR  30  -2.945  -7.440   4.691
  190   2HB   TYR  30          HB3       TYR  30  -2.034  -6.445   3.771
  191    HD1  TYR  30           HD1      TYR  30  -1.130  -4.372   4.560
  192    HD2  TYR  30           HD2      TYR  30  -3.822  -6.743   6.910
  193    HE1  TYR  30           HE1      TYR  30  -0.726  -2.891   6.508
  194    HE2  TYR  30           HE2      TYR  30  -3.493  -5.206   8.850
  195    HH   TYR  30           HH       TYR  30  -1.286  -2.430   8.602
  196    H    CYS  31           H        CYS  31  -5.782  -7.454   2.310
  197    HA   CYS  31           HA       CYS  31  -4.143  -7.277  -0.191
  198   1HB   CYS  31          HB2       CYS  31  -4.254  -9.446   1.151
  199   2HB   CYS  31          HB3       CYS  31  -5.906  -9.602   0.575
  200    H    SER  32           H        SER  32  -7.452  -7.252   1.138
  201    HA   SER  32           HA       SER  32  -8.414  -6.442  -1.563
  202   1HB   SER  32          HB2       SER  32 -10.555  -7.061  -0.779
  203   2HB   SER  32          HB3       SER  32  -9.548  -8.294  -0.415
  204    HG   SER  32           HG       SER  32 -10.027  -8.147   1.565
  205   1HN   NH2  33          HN1       NH2  33  -9.980  -5.686   1.532
  206   2HN   NH2  33          HN2       NH2  33  -9.843  -3.947   1.387
  207    H1   NAG  34           H1       NAG  34  -9.374   8.819   9.496
  208    H2   NAG  34           H2       NAG  34  -8.849   8.198   6.589
  209    H3   NAG  34           H3       NAG  34  -7.863   6.774   9.101
  210    H4   NAG  34           H4       NAG  34  -6.372   8.317   6.923
  211    H5   NAG  34           H5       NAG  34  -7.042   8.992   9.830
  212   1H6   NAG  34          1H6       NAG  34  -4.968   9.993   9.565
  213   2H6   NAG  34          2H6       NAG  34  -6.108  11.283   9.180
  214   1H8   NAG  34          1H8       NAG  34 -12.049   4.804   5.995
  215   2H8   NAG  34          2H8       NAG  34 -11.950   4.912   7.770
  216   3H8   NAG  34          3H8       NAG  34 -12.686   6.245   6.823
  217    HN2  NAG  34           H2N      NAG  34 -10.918   7.140   8.358
  218    HO1  NAG  34           HO1      NAG  34 -11.110   9.243   8.031
  219    HO3  NAG  34           HO3      NAG  34  -8.281   5.957   6.586
  220    HO6  NAG  34           HO6      NAG  34  -4.230  10.005   7.666
  221    H1   NAG  35           H1       NAG  35  -5.177   6.244   6.860
  222    H2   NAG  35           H2       NAG  35  -2.973   6.467   8.922
  223    H3   NAG  35           H3       NAG  35  -3.115   4.529   6.591
  224    H4   NAG  35           H4       NAG  35  -3.400   3.903   9.562
  225    H5   NAG  35           H5       NAG  35  -5.368   3.872   7.231
  226   1H6   NAG  35          1H6       NAG  35  -5.774   2.023   8.938
  227   2H6   NAG  35          2H6       NAG  35  -7.041   3.263   8.880
  228   1H8   NAG  35          1H8       NAG  35  -0.528   8.387   5.999
  229   2H8   NAG  35          2H8       NAG  35  -1.938   8.983   5.072
  230   3H8   NAG  35          3H8       NAG  35  -1.220   9.990   6.353
  231    HN2  NAG  35           H2N      NAG  35  -2.139   6.637   6.133
  232    HO3  NAG  35           HO3      NAG  35  -1.138   5.253   7.024
  233    HO6  NAG  35           HO6      NAG  35  -5.790   4.341  10.535
  234    H1   NAG  36           H1       NAG  36  -3.008   1.250   9.813
  235    H2   NAG  36           H2       NAG  36  -1.519   0.937   7.210
  236    H3   NAG  36           H3       NAG  36  -1.043  -0.532   9.811
  237    H4   NAG  36           H4       NAG  36   0.771   1.371   8.219
  238    H5   NAG  36           H5       NAG  36  -0.674   1.517  10.935
  239   1H6   NAG  36          1H6       NAG  36   1.498   2.880  10.758
  240   2H6   NAG  36          2H6       NAG  36   0.016   3.802  11.082
  241   1H8   NAG  36          1H8       NAG  36  -5.007  -1.999   7.650
  242   2H8   NAG  36          2H8       NAG  36  -5.383  -1.584   5.966
  243   3H8   NAG  36          3H8       NAG  36  -4.125  -2.778   6.311
  244    HN2  NAG  36           H2N      NAG  36  -3.077  -1.310   8.490
  245    HO4  NAG  36           HO4      NAG  36   1.954  -0.329   9.387
  246    HO3  NAG  36           HO3      NAG  36   0.771  -1.216   8.331
  247    HO6  NAG  36           HO6      NAG  36  -0.139   4.083   8.762
  Start of MODEL   18
    1   1H    GLU   1           H1       GLU   1   1.125   6.389   4.678
    2   2H    GLU   1           H2       GLU   1   2.560   6.676   3.893
    3   3H    GLU   1           H3       GLU   1   2.524   5.648   5.169
    4    HA   GLU   1           HA       GLU   1   1.238   4.049   3.982
    5   1HB   GLU   1          HB2       GLU   1   1.032   6.254   2.075
    6   2HB   GLU   1          HB3       GLU   1   1.066   4.732   1.483
    7   1HG   GLU   1          HG2       GLU   1  -1.152   5.230   1.704
    8   2HG   GLU   1          HG3       GLU   1  -0.812   4.239   2.958
    9    H    GLN   2           H        GLN   2   2.268   2.619   2.239
   10    HA   GLN   2           HA       GLN   2   5.098   3.445   1.700
   11   1HB   GLN   2          HB2       GLN   2   5.926   1.452   2.527
   12   2HB   GLN   2          HB3       GLN   2   4.856   1.911   3.673
   13   1HG   GLN   2          HG2       GLN   2   3.248   0.426   2.481
   14   2HG   GLN   2          HG3       GLN   2   4.571  -0.219   1.772
   15   1HE2  GLN   2          1HE2      GLN   2   6.320  -1.174   3.259
   16   2HE2  GLN   2          2HE2      GLN   2   5.614  -2.020   4.638
   17    H    CYS   3           H        CYS   3   2.201   1.859   0.492
   18    HA   CYS   3           HA       CYS   3   3.645   1.280  -2.046
   19   1HB   CYS   3          HB2       CYS   3   2.669  -0.981  -2.068
   20   2HB   CYS   3          HB3       CYS   3   3.699  -0.741  -0.667
   21    H    GLY   4           H        GLY   4   2.079   0.647  -3.756
   22   1HA   GLY   4          HA1       GLY   4   0.325   1.097  -5.146
   23   2HA   GLY   4          HA2       GLY   4  -0.659   0.811  -3.718
   24    H    ARG   5           H        ARG   5  -0.915   2.787  -2.290
   25    HA   ARG   5           HA       ARG   5  -2.193   4.756  -4.119
   26   1HB   ARG   5          HB2       ARG   5  -2.742   3.822  -1.392
   27   2HB   ARG   5          HB3       ARG   5  -3.389   5.228  -1.914
   28   1HG   ARG   5          HG2       ARG   5  -4.484   4.043  -3.678
   29   2HG   ARG   5          HG3       ARG   5  -3.878   2.644  -3.093
   30   1HD   ARG   5          HD2       ARG   5  -6.162   3.041  -2.387
   31   2HD   ARG   5          HD3       ARG   5  -5.137   2.849  -1.130
   32    HE   ARG   5           HE       ARG   5  -5.236   5.573  -1.544
   33   1HH1  ARG   5          2HH2      ARG   5  -7.538   3.149  -0.400
   34   2HH1  ARG   5          1HH2      ARG   5  -8.358   4.340   0.553
   35   1HH2  ARG   5          2HH1      ARG   5  -6.268   6.939  -0.357
   36   2HH2  ARG   5          1HH1      ARG   5  -7.645   6.462   0.578
   37    H    GLN   6           H        GLN   6  -1.761   5.854  -0.824
   38    HA   GLN   6           HA       GLN   6  -0.883   8.319  -1.976
   39   1HB   GLN   6          HB2       GLN   6  -1.143   7.524   0.845
   40   2HB   GLN   6          HB3       GLN   6  -0.745   9.036   0.372
   41   1HG   GLN   6          HG2       GLN   6  -2.995   9.136   0.778
   42   2HG   GLN   6          HG3       GLN   6  -2.879   9.071  -0.850
   43   1HE2  GLN   6          1HE2      GLN   6  -2.898   6.634   1.783
   44   2HE2  GLN   6          2HE2      GLN   6  -3.860   5.516   0.874
   45    H    ALA   7           H        ALA   7   1.053   5.644  -1.176
   46    HA   ALA   7           HA       ALA   7   3.499   7.312  -0.912
   47   1HB   ALA   7          HB1       ALA   7   4.616   5.115  -0.665
   48   2HB   ALA   7          HB2       ALA   7   3.293   5.338   0.488
   49   3HB   ALA   7          HB3       ALA   7   3.055   4.306  -0.946
   50    H    GLY   8           H        GLY   8   1.552   6.252  -3.499
   51   1HA   GLY   8          HA1       GLY   8   1.943   6.473  -5.744
   52   2HA   GLY   8          HA2       GLY   8   3.610   6.929  -5.411
   53    H    GLY   9           H        GLY   9   1.412   4.195  -5.825
   54   1HA   GLY   9          HA1       GLY   9   1.557   2.416  -7.191
   55   2HA   GLY   9          HA2       GLY   9   2.915   3.240  -7.937
   56    H    LYS  10           H        LYS  10   4.450   2.792  -5.255
   57    HA   LYS  10           HA       LYS  10   5.851   0.485  -6.126
   58   1HB   LYS  10          HB2       LYS  10   5.859   1.953  -3.558
   59   2HB   LYS  10          HB3       LYS  10   6.848   0.677  -3.807
   60   1HG   LYS  10          HG2       LYS  10   7.927   1.750  -5.560
   61   2HG   LYS  10          HG3       LYS  10   6.794   2.925  -5.614
   62   1HD   LYS  10          HD2       LYS  10   8.579   2.586  -3.378
   63   2HD   LYS  10          HD3       LYS  10   8.883   3.629  -4.597
   64   1HE   LYS  10          HE2       LYS  10   6.596   3.813  -2.849
   65   2HE   LYS  10          HE3       LYS  10   7.930   4.744  -2.709
   66   1HZ   LYS  10          HZ1       LYS  10   6.202   5.923  -3.788
   67   2HZ   LYS  10          HZ2       LYS  10   7.466   5.710  -4.834
   68   3HZ   LYS  10          HZ3       LYS  10   6.091   4.794  -4.932
   69    H    LEU  11           H        LEU  11   6.285  -1.505  -4.969
   70    HA   LEU  11           HA       LEU  11   3.726  -2.776  -4.094
   71   1HB   LEU  11          HB2       LEU  11   6.049  -3.986  -5.473
   72   2HB   LEU  11          HB3       LEU  11   4.643  -4.738  -5.118
   73    HG   LEU  11           HG       LEU  11   4.973  -2.524  -7.079
   74   1HD1  LEU  11          1HD1      LEU  11   5.844  -4.712  -7.831
   75   2HD1  LEU  11          2HD1      LEU  11   4.272  -5.461  -7.473
   76   3HD1  LEU  11          3HD1      LEU  11   4.403  -4.225  -8.742
   77   1HD2  LEU  11          1HD2      LEU  11   2.483  -4.101  -6.279
   78   2HD2  LEU  11          2HD2      LEU  11   2.748  -2.352  -6.060
   79   3HD2  LEU  11          3HD2      LEU  11   2.603  -3.022  -7.684
   80    H    CYS  12           H        CYS  12   4.402  -5.058  -3.015
   81    HA   CYS  12           HA       CYS  12   5.871  -4.251  -0.564
   82   1HB   CYS  12          HB2       CYS  12   3.522  -6.092  -1.142
   83   2HB   CYS  12          HB3       CYS  12   4.291  -5.973   0.435
   84    HA   PRO  13           HA       PRO  13   8.765  -7.293  -1.210
   85   1HB   PRO  13          HB2       PRO  13   9.615  -7.901   1.235
   86   2HB   PRO  13          HB3       PRO  13   9.744  -6.375   0.667
   87   1HG   PRO  13          HG2       PRO  13   7.683  -7.407   2.432
   88   2HG   PRO  13          HG3       PRO  13   8.518  -6.015   2.611
   89   1HD   PRO  13          HD2       PRO  13   6.148  -5.982   1.510
   90   2HD   PRO  13          HD3       PRO  13   7.297  -4.936   1.008
   91    H    ASN  14           H        ASN  14   9.622  -9.367  -0.957
   92    HA   ASN  14           HA       ASN  14   9.658 -11.587  -1.173
   93   1HB   ASN  14          HB2       ASN  14   9.571 -11.169   1.310
   94   2HB   ASN  14          HB3       ASN  14   8.042 -11.744   1.280
   95   1HD2  ASN  14          1HD2      ASN  14   7.640 -14.060   1.241
   96   2HD2  ASN  14          2HD2      ASN  14   9.054 -15.097   1.068
   97    H    ASN  15           H        ASN  15   6.377 -11.119   0.014
   98    HA   ASN  15           HA       ASN  15   5.138 -12.241  -2.378
   99   1HB   ASN  15          HB2       ASN  15   4.300 -14.213  -1.335
  100   2HB   ASN  15          HB3       ASN  15   5.927 -14.230  -1.183
  101   1HD2  ASN  15          1HD2      ASN  15   3.008 -13.416   0.539
  102   2HD2  ASN  15          2HD2      ASN  15   3.643 -13.900   2.134
  103    H    LEU  16           H        LEU  16   4.938  -9.838  -0.271
  104    HA   LEU  16           HA       LEU  16   2.314 -10.428   0.915
  105   1HB   LEU  16          HB2       LEU  16   4.170  -8.138   1.126
  106   2HB   LEU  16          HB3       LEU  16   2.775  -8.265   1.966
  107    HG   LEU  16           HG       LEU  16   5.140 -10.049   2.258
  108   1HD1  LEU  16          1HD1      LEU  16   5.288  -9.054   4.492
  109   2HD1  LEU  16          2HD1      LEU  16   5.338  -7.773   3.266
  110   3HD1  LEU  16          3HD1      LEU  16   3.841  -8.070   4.181
  111   1HD2  LEU  16          1HD2      LEU  16   2.444 -10.065   3.666
  112   2HD2  LEU  16          2HD2      LEU  16   3.118 -11.377   2.676
  113   3HD2  LEU  16          3HD2      LEU  16   3.862 -10.972   4.222
  114    H    CYS  17           H        CYS  17   0.692  -8.815   0.985
  115    HA   CYS  17           HA       CYS  17  -0.125  -7.798  -1.664
  116   1HB   CYS  17          HB2       CYS  17  -1.479  -7.977   1.067
  117   2HB   CYS  17          HB3       CYS  17  -2.240  -7.312  -0.367
  118    H    CYS  18           H        CYS  18  -1.128  -5.648  -1.549
  119    HA   CYS  18           HA       CYS  18   0.059  -3.727   0.370
  120   1HB   CYS  18          HB2       CYS  18   0.901  -3.315  -1.940
  121   2HB   CYS  18          HB3       CYS  18  -0.766  -3.241  -2.514
  122    H    SER  19           H        SER  19  -1.567  -2.241   1.122
  123    HA   SER  19           HA       SER  19  -4.078  -3.599   1.378
  124   1HB   SER  19          HB2       SER  19  -4.468  -2.137   3.112
  125   2HB   SER  19          HB3       SER  19  -2.850  -2.361   3.151
  126    HG   SER  19           HG       SER  19  -3.515  -0.247   3.510
  127    H    GLN  20           H        GLN  20  -6.097  -2.377   1.530
  128    HA   GLN  20           HA       GLN  20  -6.933  -1.104  -0.912
  129   1HB   GLN  20          HB2       GLN  20  -8.344  -0.728   1.630
  130   2HB   GLN  20          HB3       GLN  20  -8.962  -0.934   0.132
  131   1HG   GLN  20          HG2       GLN  20  -9.538  -2.875   1.077
  132   2HG   GLN  20          HG3       GLN  20  -8.111  -3.295   0.402
  133   1HE2  GLN  20          1HE2      GLN  20  -9.323  -4.713   2.647
  134   2HE2  GLN  20          2HE2      GLN  20  -8.158  -4.424   3.967
  135    H    TRP  21           H        TRP  21  -5.087   0.073   1.769
  136    HA   TRP  21           HA       TRP  21  -5.814   2.874   1.073
  137   1HB   TRP  21          HB2       TRP  21  -5.942   1.599   3.542
  138   2HB   TRP  21          HB3       TRP  21  -4.827   2.789   3.635
  139    HD1  TRP  21           HD       TRP  21  -8.504   2.262   3.398
  140    HE1  TRP  21           HE1      TRP  21  -9.731   4.575   3.376
  141    HE3  TRP  21           HE3      TRP  21  -4.474   5.360   3.081
  142    HZ2  TRP  21           HZ2      TRP  21  -9.053   7.293   2.836
  143    HZ3  TRP  21           HZ3      TRP  21  -4.777   7.805   2.802
  144    HH2  TRP  21           HH       TRP  21  -7.019   8.788   2.627
  145    H    GLY  22           H        GLY  22  -3.102   0.706   1.295
  146   1HA   GLY  22          HA1       GLY  22  -1.286   1.845  -0.203
  147   2HA   GLY  22          HA2       GLY  22  -1.279   3.087   1.022
  148    H    TRP  23           H        TRP  23  -1.629  -0.178   2.292
  149    HA   TRP  23           HA       TRP  23   1.221   0.047   3.224
  150   1HB   TRP  23          HB2       TRP  23  -1.230  -0.516   4.739
  151   2HB   TRP  23          HB3       TRP  23   0.284  -0.539   5.352
  152    HD1  TRP  23           HD       TRP  23  -2.458   1.815   4.395
  153    HE1  TRP  23           HE1      TRP  23  -1.955   4.087   5.560
  154    HE3  TRP  23           HE3      TRP  23   2.448   1.128   5.550
  155    HZ2  TRP  23           HZ2      TRP  23   0.179   5.347   6.892
  156    HZ3  TRP  23           HZ3      TRP  23   3.733   2.891   6.781
  157    HH2  TRP  23           HH       TRP  23   2.569   4.941   7.580
  158    H    CYS  24           H        CYS  24   2.212  -1.985   4.027
  159    HA   CYS  24           HA       CYS  24   1.380  -4.084   2.127
  160   1HB   CYS  24          HB2       CYS  24   3.840  -3.707   3.838
  161   2HB   CYS  24          HB3       CYS  24   3.572  -5.116   2.804
  162    H    GLY  25           H        GLY  25   0.829  -6.203   2.582
  163   1HA   GLY  25          HA1       GLY  25   0.440  -6.981   5.439
  164   2HA   GLY  25          HA2       GLY  25  -0.985  -6.714   4.413
  165    H    SER  26           H        SER  26  -0.362  -9.177   5.701
  166    HA   SER  26           HA       SER  26   0.271 -10.947   3.351
  167   1HB   SER  26          HB2       SER  26   1.635 -11.195   5.404
  168   2HB   SER  26          HB3       SER  26   0.305 -11.691   6.212
  169    HG   SER  26           HG       SER  26   0.035 -13.290   4.591
  170    H    THR  27           H        THR  27  -2.462  -9.650   4.546
  171    HA   THR  27           HA       THR  27  -3.999 -12.188   4.688
  172    HB   THR  27           HB       THR  27  -4.834 -11.631   6.853
  173    HG1  THR  27           HG1      THR  27  -5.045  -9.643   7.184
  174   1HG2  THR  27          1HG2      THR  27  -1.865 -10.939   7.036
  175   2HG2  THR  27          2HG2      THR  27  -2.905 -11.622   8.291
  176   3HG2  THR  27          3HG2      THR  27  -2.490 -12.601   6.866
  177    H    ASP  28           H        ASP  28  -6.422 -11.725   4.816
  178    HA   ASP  28           HA       ASP  28  -6.877 -10.111   2.504
  179   1HB   ASP  28          HB2       ASP  28  -8.107 -12.153   3.103
  180   2HB   ASP  28          HB3       ASP  28  -8.948 -11.309   4.220
  181    H    GLU  29           H        GLU  29  -7.126  -9.336   5.894
  182    HA   GLU  29           HA       GLU  29  -8.766  -6.992   5.704
  183   1HB   GLU  29          HB2       GLU  29  -6.461  -7.442   7.503
  184   2HB   GLU  29          HB3       GLU  29  -7.680  -6.379   7.730
  185   1HG   GLU  29          HG2       GLU  29  -8.335  -8.004   9.104
  186   2HG   GLU  29          HG3       GLU  29  -9.109  -8.466   7.743
  187    H    TYR  30           H        TYR  30  -5.613  -7.675   4.436
  188    HA   TYR  30           HA       TYR  30  -5.292  -4.790   3.684
  189   1HB   TYR  30          HB2       TYR  30  -3.344  -6.996   3.894
  190   2HB   TYR  30          HB3       TYR  30  -3.020  -5.631   3.057
  191    HD1  TYR  30           HD1      TYR  30  -4.130  -6.688   6.428
  192    HD2  TYR  30           HD2      TYR  30  -1.698  -4.005   4.107
  193    HE1  TYR  30           HE1      TYR  30  -3.687  -5.309   8.463
  194    HE2  TYR  30           HE2      TYR  30  -1.282  -2.624   6.140
  195    HH   TYR  30           HH       TYR  30  -1.861  -2.261   8.270
  196    H    CYS  31           H        CYS  31  -5.035  -8.173   2.383
  197    HA   CYS  31           HA       CYS  31  -4.656  -7.349  -0.282
  198   1HB   CYS  31          HB2       CYS  31  -5.984  -9.912   0.636
  199   2HB   CYS  31          HB3       CYS  31  -5.150  -9.643  -0.874
  200    H    SER  32           H        SER  32  -7.757  -7.835   1.468
  201    HA   SER  32           HA       SER  32  -8.983  -6.103  -0.471
  202   1HB   SER  32          HB2       SER  32 -10.414  -7.498  -1.563
  203   2HB   SER  32          HB3       SER  32  -9.073  -8.429  -1.531
  204    HG   SER  32           HG       SER  32  -9.921  -9.593   0.198
  205   1HN   NH2  33          HN1       NH2  33 -10.467  -8.815   1.370
  206   2HN   NH2  33          HN2       NH2  33 -11.297  -7.794   2.524
  207    H1   NAG  34           H1       NAG  34 -11.085   8.690   7.480
  208    H2   NAG  34           H2       NAG  34 -10.162   7.630   4.801
  209    H3   NAG  34           H3       NAG  34  -9.386   6.760   7.609
  210    H4   NAG  34           H4       NAG  34  -7.821   8.059   5.317
  211    H5   NAG  34           H5       NAG  34  -8.762   9.008   8.054
  212   1H6   NAG  34          1H6       NAG  34  -6.714  10.084   7.858
  213   2H6   NAG  34          2H6       NAG  34  -7.879  11.257   7.240
  214   1H8   NAG  34          1H8       NAG  34 -12.834   4.147   6.153
  215   2H8   NAG  34          2H8       NAG  34 -13.898   5.353   5.358
  216   3H8   NAG  34          3H8       NAG  34 -13.143   4.054   4.401
  217    HN2  NAG  34           H2N      NAG  34 -12.194   6.523   6.686
  218    HO1  NAG  34           HO1      NAG  34 -12.036  10.257   6.065
  219    HO3  NAG  34           HO3      NAG  34  -8.231   5.254   6.533
  220    HO6  NAG  34           HO6      NAG  34  -5.780  10.017   6.062
  221    H1   NAG  35           H1       NAG  35  -6.369   6.218   5.426
  222    H2   NAG  35           H2       NAG  35  -4.370   6.819   7.604
  223    H3   NAG  35           H3       NAG  35  -4.029   4.699   5.472
  224    H4   NAG  35           H4       NAG  35  -4.568   4.311   8.458
  225    H5   NAG  35           H5       NAG  35  -6.165   3.766   5.915
  226   1H6   NAG  35          1H6       NAG  35  -6.597   1.906   7.340
  227   2H6   NAG  35          2H6       NAG  35  -7.945   3.029   7.553
  228   1H8   NAG  35          1H8       NAG  35  -1.833   8.758   4.842
  229   2H8   NAG  35          2H8       NAG  35  -3.177   9.161   3.747
  230   3H8   NAG  35          3H8       NAG  35  -2.702  10.310   5.031
  231    HN2  NAG  35           H2N      NAG  35  -3.377   6.901   4.803
  232    HO3  NAG  35           HO3      NAG  35  -2.459   4.450   7.559
  233    HO6  NAG  35           HO6      NAG  35  -7.228   2.254   9.544
  234    H1   NAG  36           H1       NAG  36  -3.985   1.931   9.108
  235    H2   NAG  36           H2       NAG  36  -2.176   1.113   6.844
  236    H3   NAG  36           H3       NAG  36  -2.040  -0.055   9.619
  237    H4   NAG  36           H4       NAG  36  -0.133   1.788   8.097
  238    H5   NAG  36           H5       NAG  36  -1.993   2.234  10.470
  239   1H6   NAG  36          1H6       NAG  36  -1.126   4.591  10.357
  240   2H6   NAG  36          2H6       NAG  36   0.155   4.031   9.272
  241   1H8   NAG  36          1H8       NAG  36  -4.787  -2.545   6.449
  242   2H8   NAG  36          2H8       NAG  36  -6.014  -1.356   6.966
  243   3H8   NAG  36          3H8       NAG  36  -5.684  -1.608   5.241
  244    HN2  NAG  36           H2N      NAG  36  -4.065  -0.783   8.223
  245    HO4  NAG  36           HO4      NAG  36   0.990   0.299   9.573
  246    HO3  NAG  36           HO3      NAG  36  -0.068  -0.841   8.299
  247    HO6  NAG  36           HO6      NAG  36   0.625   2.486  11.053
  Start of MODEL   19
    1   1H    GLU   1           H1       GLU   1   2.194   5.403   5.786
    2   2H    GLU   1           H2       GLU   1   3.664   5.737   5.065
    3   3H    GLU   1           H3       GLU   1   3.483   4.376   5.958
    4    HA   GLU   1           HA       GLU   1   1.925   3.464   4.404
    5   1HB   GLU   1          HB2       GLU   1   2.487   5.328   2.327
    6   2HB   GLU   1          HB3       GLU   1   1.058   4.679   2.778
    7   1HG   GLU   1          HG2       GLU   1   2.191   7.018   4.010
    8   2HG   GLU   1          HG3       GLU   1   1.056   7.076   2.836
    9    H    GLN   2           H        GLN   2   2.796   2.244   2.522
   10    HA   GLN   2           HA       GLN   2   5.653   2.805   1.872
   11   1HB   GLN   2          HB2       GLN   2   5.467   0.978   3.538
   12   2HB   GLN   2          HB3       GLN   2   4.665   0.078   2.436
   13   1HG   GLN   2          HG2       GLN   2   7.160   1.044   1.559
   14   2HG   GLN   2          HG3       GLN   2   7.247  -0.045   2.773
   15   1HE2  GLN   2          1HE2      GLN   2   6.188   0.388  -0.568
   16   2HE2  GLN   2          2HE2      GLN   2   6.244  -1.342  -0.935
   17    H    CYS   3           H        CYS   3   2.555   1.377   0.880
   18    HA   CYS   3           HA       CYS   3   3.655   1.003  -1.882
   19   1HB   CYS   3          HB2       CYS   3   2.484  -1.138  -1.926
   20   2HB   CYS   3          HB3       CYS   3   3.574  -1.066  -0.551
   21    H    GLY   4           H        GLY   4   1.740   0.463  -3.410
   22   1HA   GLY   4          HA1       GLY   4  -0.187   1.126  -4.482
   23   2HA   GLY   4          HA2       GLY   4  -0.895   1.188  -2.864
   24    H    ARG   5           H        ARG   5  -2.153   2.900  -3.081
   25    HA   ARG   5           HA       ARG   5  -2.020   5.072  -4.719
   26   1HB   ARG   5          HB2       ARG   5  -3.909   4.327  -3.432
   27   2HB   ARG   5          HB3       ARG   5  -3.267   4.910  -2.048
   28   1HG   ARG   5          HG2       ARG   5  -3.461   7.128  -2.896
   29   2HG   ARG   5          HG3       ARG   5  -4.113   6.541  -4.274
   30   1HD   ARG   5          HD2       ARG   5  -5.845   7.286  -2.809
   31   2HD   ARG   5          HD3       ARG   5  -5.959   5.671  -3.028
   32    HE   ARG   5           HE       ARG   5  -4.447   6.570  -0.738
   33   1HH1  ARG   5          2HH2      ARG   5  -7.195   4.591  -1.768
   34   2HH1  ARG   5          1HH2      ARG   5  -7.270   3.871  -0.195
   35   1HH2  ARG   5          2HH1      ARG   5  -4.688   5.656   1.132
   36   2HH2  ARG   5          1HH1      ARG   5  -5.904   4.447   1.378
   37    H    GLN   6           H        GLN   6  -1.487   5.837  -1.211
   38    HA   GLN   6           HA       GLN   6  -0.318   8.320  -1.928
   39   1HB   GLN   6          HB2       GLN   6   0.286   6.912   0.587
   40   2HB   GLN   6          HB3       GLN   6   0.401   8.516   0.305
   41   1HG   GLN   6          HG2       GLN   6  -1.512   8.452   1.460
   42   2HG   GLN   6          HG3       GLN   6  -2.101   8.331  -0.059
   43   1HE2  GLN   6          1HE2      GLN   6  -1.251   6.433   2.816
   44   2HE2  GLN   6          2HE2      GLN   6  -1.985   4.967   2.259
   45    H    ALA   7           H        ALA   7   1.283   5.181  -1.934
   46    HA   ALA   7           HA       ALA   7   3.957   6.421  -1.893
   47   1HB   ALA   7          HB1       ALA   7   3.146   3.565  -2.512
   48   2HB   ALA   7          HB2       ALA   7   4.761   4.152  -2.077
   49   3HB   ALA   7          HB3       ALA   7   3.459   4.184  -0.870
   50    H    GLY   8           H        GLY   8   1.527   6.253  -4.253
   51   1HA   GLY   8          HA1       GLY   8   1.625   6.651  -6.524
   52   2HA   GLY   8          HA2       GLY   8   3.370   6.890  -6.395
   53    H    GLY   9           H        GLY   9   1.235   4.130  -5.723
   54   1HA   GLY   9          HA1       GLY   9   0.691   2.321  -7.088
   55   2HA   GLY   9          HA2       GLY   9   1.829   2.902  -8.299
   56    H    LYS  10           H        LYS  10   3.339   2.477  -5.241
   57    HA   LYS  10           HA       LYS  10   4.928   0.363  -6.525
   58   1HB   LYS  10          HB2       LYS  10   5.365   1.977  -4.083
   59   2HB   LYS  10          HB3       LYS  10   6.428   0.860  -4.620
   60   1HG   LYS  10          HG2       LYS  10   6.798   2.018  -6.587
   61   2HG   LYS  10          HG3       LYS  10   5.492   2.968  -6.349
   62   1HD   LYS  10          HD2       LYS  10   6.688   3.952  -4.456
   63   2HD   LYS  10          HD3       LYS  10   8.016   3.155  -4.976
   64   1HE   LYS  10          HE2       LYS  10   8.124   5.315  -5.867
   65   2HE   LYS  10          HE3       LYS  10   7.790   4.302  -7.104
   66   1HZ   LYS  10          HZ1       LYS  10   6.428   6.288  -7.145
   67   2HZ   LYS  10          HZ2       LYS  10   5.506   4.929  -7.048
   68   3HZ   LYS  10          HZ3       LYS  10   5.778   5.801  -5.708
   69    H    LEU  11           H        LEU  11   5.715  -1.517  -5.427
   70    HA   LEU  11           HA       LEU  11   3.442  -2.965  -4.246
   71   1HB   LEU  11          HB2       LEU  11   5.962  -3.834  -5.531
   72   2HB   LEU  11          HB3       LEU  11   4.850  -4.871  -4.934
   73    HG   LEU  11           HG       LEU  11   3.183  -3.766  -6.490
   74   1HD1  LEU  11          1HD1      LEU  11   4.317  -3.047  -8.647
   75   2HD1  LEU  11          2HD1      LEU  11   4.438  -1.881  -7.349
   76   3HD1  LEU  11          3HD1      LEU  11   5.835  -2.923  -7.742
   77   1HD2  LEU  11          1HD2      LEU  11   3.988  -6.087  -6.749
   78   2HD2  LEU  11          2HD2      LEU  11   3.835  -5.295  -8.321
   79   3HD2  LEU  11          3HD2      LEU  11   5.440  -5.493  -7.586
   80    H    CYS  12           H        CYS  12   4.357  -5.016  -2.914
   81    HA   CYS  12           HA       CYS  12   5.848  -3.940  -0.568
   82   1HB   CYS  12          HB2       CYS  12   3.598  -5.954  -0.914
   83   2HB   CYS  12          HB3       CYS  12   4.528  -5.788   0.569
   84    HA   PRO  13           HA       PRO  13   8.693  -7.214  -1.244
   85   1HB   PRO  13          HB2       PRO  13   9.775  -7.506   1.156
   86   2HB   PRO  13          HB3       PRO  13   9.883  -6.071   0.385
   87   1HG   PRO  13          HG2       PRO  13   7.980  -6.789   2.458
   88   2HG   PRO  13          HG3       PRO  13   8.881  -5.429   2.388
   89   1HD   PRO  13          HD2       PRO  13   6.417  -5.416   1.509
   90   2HD   PRO  13          HD3       PRO  13   7.551  -4.483   0.793
   91    H    ASN  14           H        ASN  14   9.596  -9.260  -0.416
   92    HA   ASN  14           HA       ASN  14   9.569 -11.468  -0.054
   93   1HB   ASN  14          HB2       ASN  14   9.307 -10.489   2.222
   94   2HB   ASN  14          HB3       ASN  14   7.728 -10.905   2.180
   95   1HD2  ASN  14          1HD2      ASN  14   7.062 -13.120   2.713
   96   2HD2  ASN  14          2HD2      ASN  14   8.369 -14.274   2.929
   97    H    ASN  15           H        ASN  15   6.221 -10.723   0.710
   98    HA   ASN  15           HA       ASN  15   5.168 -12.385  -1.458
   99   1HB   ASN  15          HB2       ASN  15   4.281 -14.096  -0.130
  100   2HB   ASN  15          HB3       ASN  15   5.841 -13.977   0.341
  101   1HD2  ASN  15          1HD2      ASN  15   2.615 -13.077   1.201
  102   2HD2  ASN  15          2HD2      ASN  15   2.822 -13.235   2.960
  103    H    LEU  16           H        LEU  16   4.795  -9.564   0.142
  104    HA   LEU  16           HA       LEU  16   2.128 -10.080   1.262
  105   1HB   LEU  16          HB2       LEU  16   3.758  -7.625   1.322
  106   2HB   LEU  16          HB3       LEU  16   2.515  -8.012   2.308
  107    HG   LEU  16           HG       LEU  16   5.126  -9.439   2.343
  108   1HD1  LEU  16          1HD1      LEU  16   5.583  -8.234   4.394
  109   2HD1  LEU  16          2HD1      LEU  16   5.353  -7.084   3.068
  110   3HD1  LEU  16          3HD1      LEU  16   4.052  -7.339   4.262
  111   1HD2  LEU  16          1HD2      LEU  16   2.838  -9.450   4.325
  112   2HD2  LEU  16          2HD2      LEU  16   3.200 -10.756   3.163
  113   3HD2  LEU  16          3HD2      LEU  16   4.357 -10.362   4.442
  114    H    CYS  17           H        CYS  17   0.400  -8.717   0.938
  115    HA   CYS  17           HA       CYS  17   0.101  -7.505  -1.766
  116   1HB   CYS  17          HB2       CYS  17  -1.569  -9.226  -0.587
  117   2HB   CYS  17          HB3       CYS  17  -2.124  -7.801   0.246
  118    H    CYS  18           H        CYS  18  -1.521  -5.482  -1.440
  119    HA   CYS  18           HA       CYS  18  -0.223  -3.651   0.529
  120   1HB   CYS  18          HB2       CYS  18   0.507  -3.264  -1.826
  121   2HB   CYS  18          HB3       CYS  18  -1.186  -3.040  -2.288
  122    H    SER  19           H        SER  19  -1.607  -2.199   1.549
  123    HA   SER  19           HA       SER  19  -4.375  -3.068   1.703
  124   1HB   SER  19          HB2       SER  19  -4.391  -1.895   3.681
  125   2HB   SER  19          HB3       SER  19  -2.837  -2.390   3.598
  126    HG   SER  19           HG       SER  19  -3.084  -0.243   4.277
  127    H    GLN  20           H        GLN  20  -6.093  -1.540   2.040
  128    HA   GLN  20           HA       GLN  20  -6.566   0.315  -0.110
  129   1HB   GLN  20          HB2       GLN  20  -8.002   0.191   2.467
  130   2HB   GLN  20          HB3       GLN  20  -8.572   0.739   1.039
  131   1HG   GLN  20          HG2       GLN  20  -9.588  -1.257   1.178
  132   2HG   GLN  20          HG3       GLN  20  -8.276  -1.631   0.280
  133   1HE2  GLN  20          1HE2      GLN  20  -9.277  -3.838   1.254
  134   2HE2  GLN  20          2HE2      GLN  20  -8.412  -4.319   2.727
  135    H    TRP  21           H        TRP  21  -4.619   0.601   2.670
  136    HA   TRP  21           HA       TRP  21  -4.559   3.528   2.363
  137   1HB   TRP  21          HB2       TRP  21  -5.093   2.092   4.740
  138   2HB   TRP  21          HB3       TRP  21  -3.811   3.090   4.911
  139    HD1  TRP  21           HD       TRP  21  -7.472   3.148   4.829
  140    HE1  TRP  21           HE1      TRP  21  -8.382   5.585   4.605
  141    HE3  TRP  21           HE3      TRP  21  -3.081   5.626   4.124
  142    HZ2  TRP  21           HZ2      TRP  21  -7.366   8.102   3.642
  143    HZ3  TRP  21           HZ3      TRP  21  -3.058   8.037   3.541
  144    HH2  TRP  21           HH       TRP  21  -5.179   9.258   3.176
  145    H    GLY  22           H        GLY  22  -2.886   1.083   1.283
  146   1HA   GLY  22          HA1       GLY  22  -0.794   1.446   0.276
  147   2HA   GLY  22          HA2       GLY  22  -0.531   2.878   1.280
  148    H    TRP  23           H        TRP  23  -1.356  -0.190   2.841
  149    HA   TRP  23           HA       TRP  23   1.541  -0.354   3.669
  150   1HB   TRP  23          HB2       TRP  23  -0.933  -0.639   5.227
  151   2HB   TRP  23          HB3       TRP  23   0.540  -1.070   5.786
  152    HD1  TRP  23           HD       TRP  23  -1.628   1.898   5.276
  153    HE1  TRP  23           HE1      TRP  23  -0.647   3.744   6.799
  154    HE3  TRP  23           HE3      TRP  23   3.059   0.129   5.782
  155    HZ2  TRP  23           HZ2      TRP  23   1.795   4.332   8.123
  156    HZ3  TRP  23           HZ3      TRP  23   4.770   1.331   7.206
  157    HH2  TRP  23           HH       TRP  23   4.112   3.385   8.445
  158    H    CYS  24           H        CYS  24   2.123  -2.546   4.637
  159    HA   CYS  24           HA       CYS  24   1.319  -4.346   2.410
  160   1HB   CYS  24          HB2       CYS  24   3.773  -4.276   4.182
  161   2HB   CYS  24          HB3       CYS  24   3.472  -5.467   2.904
  162    H    GLY  25           H        GLY  25   0.492  -6.334   2.669
  163   1HA   GLY  25          HA1       GLY  25   0.107  -7.410   5.450
  164   2HA   GLY  25          HA2       GLY  25  -1.267  -7.096   4.370
  165    H    SER  26           H        SER  26   0.329  -9.631   5.523
  166    HA   SER  26           HA       SER  26   0.712 -11.107   2.983
  167   1HB   SER  26          HB2       SER  26   2.066 -11.555   5.021
  168   2HB   SER  26          HB3       SER  26   0.751 -12.231   5.715
  169    HG   SER  26           HG       SER  26   0.564 -13.624   3.996
  170    H    THR  27           H        THR  27  -2.016  -9.988   3.770
  171    HA   THR  27           HA       THR  27  -3.621 -12.429   4.298
  172    HB   THR  27           HB       THR  27  -4.639 -11.086   6.164
  173    HG1  THR  27           HG1      THR  27  -4.181  -9.100   6.008
  174   1HG2  THR  27          1HG2      THR  27  -2.888 -11.330   7.780
  175   2HG2  THR  27          2HG2      THR  27  -2.750 -12.698   6.647
  176   3HG2  THR  27          3HG2      THR  27  -1.624 -11.315   6.544
  177    H    ASP  28           H        ASP  28  -6.003 -11.978   4.184
  178    HA   ASP  28           HA       ASP  28  -6.367 -10.709   1.612
  179   1HB   ASP  28          HB2       ASP  28  -8.544 -11.840   1.890
  180   2HB   ASP  28          HB3       ASP  28  -7.250 -12.833   1.974
  181    H    GLU  29           H        GLU  29  -6.947  -9.560   4.855
  182    HA   GLU  29           HA       GLU  29  -9.249  -7.897   4.012
  183   1HB   GLU  29          HB2       GLU  29  -9.394  -7.273   6.201
  184   2HB   GLU  29          HB3       GLU  29  -9.025  -8.861   6.285
  185   1HG   GLU  29          HG2       GLU  29  -7.166  -6.741   6.836
  186   2HG   GLU  29          HG3       GLU  29  -7.936  -7.614   7.981
  187    H    TYR  30           H        TYR  30  -5.798  -7.679   4.696
  188    HA   TYR  30           HA       TYR  30  -5.492  -4.915   3.776
  189   1HB   TYR  30          HB2       TYR  30  -3.683  -7.196   4.135
  190   2HB   TYR  30          HB3       TYR  30  -3.178  -5.941   3.220
  191    HD1  TYR  30           HD1      TYR  30  -1.748  -4.388   4.256
  192    HD2  TYR  30           HD2      TYR  30  -4.779  -6.471   6.496
  193    HE1  TYR  30           HE1      TYR  30  -1.199  -3.034   6.274
  194    HE2  TYR  30           HE2      TYR  30  -4.235  -5.090   8.500
  195    HH   TYR  30           HH       TYR  30  -1.801  -2.496   8.422
  196    H    CYS  31           H        CYS  31  -5.005  -8.116   2.117
  197    HA   CYS  31           HA       CYS  31  -4.370  -6.899  -0.319
  198   1HB   CYS  31          HB2       CYS  31  -4.041  -9.300   0.449
  199   2HB   CYS  31          HB3       CYS  31  -5.675  -9.615  -0.134
  200    H    SER  32           H        SER  32  -7.630  -7.621   0.933
  201    HA   SER  32           HA       SER  32  -9.126  -7.262  -1.448
  202   1HB   SER  32          HB2       SER  32  -9.774  -6.540   1.343
  203   2HB   SER  32          HB3       SER  32 -10.853  -6.427   0.122
  204    HG   SER  32           HG       SER  32  -9.609  -8.696   1.084
  205   1HN   NH2  33          HN1       NH2  33  -6.734  -5.313  -0.599
  206   2HN   NH2  33          HN2       NH2  33  -7.358  -3.748  -1.075
  207    H1   NAG  34           H1       NAG  34  -8.687  10.144   8.260
  208    H2   NAG  34           H2       NAG  34  -8.178   8.439   5.812
  209    H3   NAG  34           H3       NAG  34  -7.405   7.980   8.715
  210    H4   NAG  34           H4       NAG  34  -5.787   8.493   6.167
  211    H5   NAG  34           H5       NAG  34  -6.245  10.188   8.650
  212   1H6   NAG  34          1H6       NAG  34  -4.621  10.628   6.096
  213   2H6   NAG  34          2H6       NAG  34  -4.016  10.654   7.773
  214   1H8   NAG  34          1H8       NAG  34 -11.809   5.566   6.094
  215   2H8   NAG  34          2H8       NAG  34 -11.329   5.803   7.793
  216   3H8   NAG  34          3H8       NAG  34 -12.245   7.081   6.926
  217    HN2  NAG  34           H2N      NAG  34 -10.209   8.039   7.986
  218    HO1  NAG  34           HO1      NAG  34  -9.194  10.451   5.442
  219    HO3  NAG  34           HO3      NAG  34  -6.541   6.115   7.868
  220    HO6  NAG  34           HO6      NAG  34  -6.108  12.288   6.868
  221    H1   NAG  35           H1       NAG  35  -4.566   6.618   6.467
  222    H2   NAG  35           H2       NAG  35  -2.495   6.996   8.636
  223    H3   NAG  35           H3       NAG  35  -2.463   5.012   6.340
  224    H4   NAG  35           H4       NAG  35  -2.843   4.512   9.336
  225    H5   NAG  35           H5       NAG  35  -4.733   4.347   6.951
  226   1H6   NAG  35          1H6       NAG  35  -6.456   3.787   8.696
  227   2H6   NAG  35          2H6       NAG  35  -5.128   3.508   9.837
  228   1H8   NAG  35          1H8       NAG  35   0.063   9.132   5.745
  229   2H8   NAG  35          2H8       NAG  35  -1.496   9.531   4.966
  230   3H8   NAG  35          3H8       NAG  35  -0.811  10.617   6.212
  231    HN2  NAG  35           H2N      NAG  35  -1.781   7.293   5.714
  232    HO3  NAG  35           HO3      NAG  35  -0.445   5.772   6.988
  233    HO6  NAG  35           HO6      NAG  35  -4.342   2.055   8.028
  234    H1   NAG  36           H1       NAG  36  -2.840   2.060   9.872
  235    H2   NAG  36           H2       NAG  36  -1.404   0.820   7.534
  236    H3   NAG  36           H3       NAG  36  -1.460  -0.440  10.244
  237    H4   NAG  36           H4       NAG  36   0.836   0.943   8.772
  238    H5   NAG  36           H5       NAG  36  -0.872   1.728  11.194
  239   1H6   NAG  36          1H6       NAG  36   0.603   3.845  11.082
  240   2H6   NAG  36          2H6       NAG  36   1.773   2.837  10.217
  241   1H8   NAG  36          1H8       NAG  36  -5.780  -0.477   7.590
  242   2H8   NAG  36          2H8       NAG  36  -5.336  -1.272   6.063
  243   3H8   NAG  36          3H8       NAG  36  -4.864  -2.016   7.609
  244    HN2  NAG  36           H2N      NAG  36  -3.695  -0.445   9.022
  245    HO4  NAG  36           HO4      NAG  36   1.429  -0.896  10.125
  246    HO3  NAG  36           HO3      NAG  36   0.343  -1.485   8.921
  247    HO6  NAG  36           HO6      NAG  36   0.844   2.651  12.867
  Start of MODEL   20
    1   1H    GLU   1           H1       GLU   1   2.405   6.819   1.724
    2   2H    GLU   1           H2       GLU   1   3.756   6.872   2.658
    3   3H    GLU   1           H3       GLU   1   2.270   7.303   3.301
    4    HA   GLU   1           HA       GLU   1   2.717   5.221   4.168
    5   1HB   GLU   1          HB2       GLU   1   0.808   5.227   1.953
    6   2HB   GLU   1          HB3       GLU   1   1.101   3.828   2.743
    7   1HG   GLU   1          HG2       GLU   1  -0.793   4.871   3.664
    8   2HG   GLU   1          HG3       GLU   1   0.403   4.829   4.775
    9    H    GLN   2           H        GLN   2   2.717   2.626   2.822
   10    HA   GLN   2           HA       GLN   2   5.603   2.815   2.086
   11   1HB   GLN   2          HB2       GLN   2   4.859   1.570   4.067
   12   2HB   GLN   2          HB3       GLN   2   4.027   0.535   3.117
   13   1HG   GLN   2          HG2       GLN   2   6.058  -0.145   2.079
   14   2HG   GLN   2          HG3       GLN   2   6.890   0.890   3.030
   15   1HE2  GLN   2          1HE2      GLN   2   7.150  -2.090   2.803
   16   2HE2  GLN   2          2HE2      GLN   2   6.828  -2.631   4.457
   17    H    CYS   3           H        CYS   3   2.523   1.557   0.923
   18    HA   CYS   3           HA       CYS   3   3.727   0.951  -1.710
   19   1HB   CYS   3          HB2       CYS   3   2.824  -1.251  -1.792
   20   2HB   CYS   3          HB3       CYS   3   3.638  -1.124  -0.243
   21    H    GLY   4           H        GLY   4   1.627   0.275  -3.168
   22   1HA   GLY   4          HA1       GLY   4  -0.455   0.848  -4.000
   23   2HA   GLY   4          HA2       GLY   4  -0.923   0.798  -2.296
   24    H    ARG   5           H        ARG   5  -2.515   2.311  -2.673
   25    HA   ARG   5           HA       ARG   5  -2.558   4.596  -4.153
   26   1HB   ARG   5          HB2       ARG   5  -4.383   3.591  -2.819
   27   2HB   ARG   5          HB3       ARG   5  -3.827   4.363  -1.491
   28   1HG   ARG   5          HG2       ARG   5  -4.238   6.456  -2.501
   29   2HG   ARG   5          HG3       ARG   5  -4.712   5.720  -3.880
   30   1HD   ARG   5          HD2       ARG   5  -6.673   6.260  -2.798
   31   2HD   ARG   5          HD3       ARG   5  -6.486   4.656  -2.552
   32    HE   ARG   5           HE       ARG   5  -5.562   6.469  -0.466
   33   1HH1  ARG   5          2HH2      ARG   5  -7.678   3.780  -1.234
   34   2HH1  ARG   5          1HH2      ARG   5  -8.475   3.901   0.298
   35   1HH2  ARG   5          2HH1      ARG   5  -6.688   6.588   1.406
   36   2HH2  ARG   5          1HH1      ARG   5  -7.934   5.432   1.740
   37    H    GLN   6           H        GLN   6  -1.902   4.885  -0.601
   38    HA   GLN   6           HA       GLN   6  -0.811   7.559  -1.155
   39   1HB   GLN   6          HB2       GLN   6  -1.475   6.117   1.306
   40   2HB   GLN   6          HB3       GLN   6  -0.657   7.530   1.345
   41   1HG   GLN   6          HG2       GLN   6  -2.451   8.706   0.835
   42   2HG   GLN   6          HG3       GLN   6  -2.904   7.647  -0.323
   43   1HE2  GLN   6          1HE2      GLN   6  -2.576   7.153   3.203
   44   2HE2  GLN   6          2HE2      GLN   6  -4.259   6.624   3.327
   45    H    ALA   7           H        ALA   7   0.756   4.840  -1.852
   46    HA   ALA   7           HA       ALA   7   3.260   6.393  -1.300
   47   1HB   ALA   7          HB1       ALA   7   3.141   3.486  -2.124
   48   2HB   ALA   7          HB2       ALA   7   4.550   4.413  -1.587
   49   3HB   ALA   7          HB3       ALA   7   3.268   4.020  -0.427
   50    H    GLY   8           H        GLY   8   0.823   6.117  -3.550
   51   1HA   GLY   8          HA1       GLY   8   0.768   6.632  -5.794
   52   2HA   GLY   8          HA2       GLY   8   2.492   7.014  -5.739
   53    H    GLY   9           H        GLY   9   0.785   3.988  -4.993
   54   1HA   GLY   9          HA1       GLY   9   0.393   2.127  -6.343
   55   2HA   GLY   9          HA2       GLY   9   1.276   2.905  -7.652
   56    H    LYS  10           H        LYS  10   3.080   2.546  -4.670
   57    HA   LYS  10           HA       LYS  10   4.891   0.738  -6.111
   58   1HB   LYS  10          HB2       LYS  10   5.165   1.523  -3.284
   59   2HB   LYS  10          HB3       LYS  10   6.339   1.034  -4.307
   60   1HG   LYS  10          HG2       LYS  10   4.983   3.572  -4.399
   61   2HG   LYS  10          HG3       LYS  10   6.546   3.341  -3.984
   62   1HD   LYS  10          HD2       LYS  10   7.012   2.646  -6.228
   63   2HD   LYS  10          HD3       LYS  10   5.460   2.958  -6.628
   64   1HE   LYS  10          HE2       LYS  10   7.291   4.970  -5.666
   65   2HE   LYS  10          HE3       LYS  10   6.940   4.755  -7.246
   66   1HZ   LYS  10          HZ1       LYS  10   5.064   5.590  -5.220
   67   2HZ   LYS  10          HZ2       LYS  10   5.650   6.533  -6.426
   68   3HZ   LYS  10          HZ3       LYS  10   4.645   5.272  -6.765
   69    H    LEU  11           H        LEU  11   5.776  -1.235  -5.038
   70    HA   LEU  11           HA       LEU  11   3.472  -2.976  -4.284
   71   1HB   LEU  11          HB2       LEU  11   6.101  -3.693  -5.437
   72   2HB   LEU  11          HB3       LEU  11   4.841  -4.707  -5.209
   73    HG   LEU  11           HG       LEU  11   4.918  -2.447  -7.143
   74   1HD1  LEU  11          1HD1      LEU  11   6.242  -4.428  -7.805
   75   2HD1  LEU  11          2HD1      LEU  11   4.810  -5.457  -7.582
   76   3HD1  LEU  11          3HD1      LEU  11   4.823  -4.205  -8.842
   77   1HD2  LEU  11          1HD2      LEU  11   2.744  -3.370  -7.952
   78   2HD2  LEU  11          2HD2      LEU  11   2.702  -4.465  -6.556
   79   3HD2  LEU  11          3HD2      LEU  11   2.619  -2.700  -6.326
   80    H    CYS  12           H        CYS  12   4.505  -5.114  -3.157
   81    HA   CYS  12           HA       CYS  12   5.843  -4.160  -0.676
   82   1HB   CYS  12          HB2       CYS  12   3.471  -5.973  -1.201
   83   2HB   CYS  12          HB3       CYS  12   4.370  -6.076   0.299
   84    HA   PRO  13           HA       PRO  13   8.754  -7.203  -1.354
   85   1HB   PRO  13          HB2       PRO  13   9.731  -7.662   1.064
   86   2HB   PRO  13          HB3       PRO  13   9.768  -6.152   0.442
   87   1HG   PRO  13          HG2       PRO  13   7.831  -7.209   2.329
   88   2HG   PRO  13          HG3       PRO  13   8.615  -5.780   2.431
   89   1HD   PRO  13          HD2       PRO  13   6.198  -5.891   1.423
   90   2HD   PRO  13          HD3       PRO  13   7.275  -4.796   0.867
   91    H    ASN  14           H        ASN  14   9.641  -9.220  -1.083
   92    HA   ASN  14           HA       ASN  14   9.756 -11.440  -1.168
   93   1HB   ASN  14          HB2       ASN  14   9.936 -10.806   1.266
   94   2HB   ASN  14          HB3       ASN  14   8.458 -11.471   1.469
   95   1HD2  ASN  14          1HD2      ASN  14   8.233 -13.778   1.729
   96   2HD2  ASN  14          2HD2      ASN  14   9.674 -14.754   1.448
   97    H    ASN  15           H        ASN  15   6.596 -11.008   0.338
   98    HA   ASN  15           HA       ASN  15   5.204 -12.508  -1.740
   99   1HB   ASN  15          HB2       ASN  15   4.668 -14.399  -0.400
  100   2HB   ASN  15          HB3       ASN  15   6.295 -14.270  -0.432
  101   1HD2  ASN  15          1HD2      ASN  15   3.510 -13.485   1.505
  102   2HD2  ASN  15          2HD2      ASN  15   4.349 -13.729   3.063
  103    H    LEU  16           H        LEU  16   5.003  -9.881   0.127
  104    HA   LEU  16           HA       LEU  16   2.403 -10.499   1.403
  105   1HB   LEU  16          HB2       LEU  16   4.079  -8.070   1.439
  106   2HB   LEU  16          HB3       LEU  16   2.739  -8.316   2.340
  107    HG   LEU  16           HG       LEU  16   5.292  -9.813   2.627
  108   1HD1  LEU  16          1HD1      LEU  16   3.940  -7.760   4.433
  109   2HD1  LEU  16          2HD1      LEU  16   5.455  -8.628   4.768
  110   3HD1  LEU  16          3HD1      LEU  16   5.379  -7.478   3.420
  111   1HD2  LEU  16          1HD2      LEU  16   2.701  -9.955   4.247
  112   2HD2  LEU  16          2HD2      LEU  16   3.404 -11.249   3.243
  113   3HD2  LEU  16          3HD2      LEU  16   4.237 -10.712   4.702
  114    H    CYS  17           H        CYS  17   0.659  -9.038   1.229
  115    HA   CYS  17           HA       CYS  17   0.122  -7.919  -1.455
  116   1HB   CYS  17          HB2       CYS  17  -1.767  -8.192   0.872
  117   2HB   CYS  17          HB3       CYS  17  -2.096  -8.013  -0.855
  118    H    CYS  18           H        CYS  18  -1.647  -5.988  -0.710
  119    HA   CYS  18           HA       CYS  18  -0.061  -3.911   0.650
  120   1HB   CYS  18          HB2       CYS  18   0.974  -3.979  -1.555
  121   2HB   CYS  18          HB3       CYS  18  -0.613  -3.931  -2.328
  122    H    SER  19           H        SER  19  -1.573  -2.675   1.756
  123    HA   SER  19           HA       SER  19  -4.386  -3.032   1.265
  124   1HB   SER  19          HB2       SER  19  -4.664  -1.394   2.968
  125   2HB   SER  19          HB3       SER  19  -3.551  -2.496   3.432
  126    HG   SER  19           HG       SER  19  -2.840  -0.690   4.105
  127    H    GLN  20           H        GLN  20  -5.959  -1.396   1.025
  128    HA   GLN  20           HA       GLN  20  -5.535   0.115  -1.441
  129   1HB   GLN  20          HB2       GLN  20  -7.796  -0.306   0.391
  130   2HB   GLN  20          HB3       GLN  20  -7.888   0.833  -0.776
  131   1HG   GLN  20          HG2       GLN  20  -8.900  -1.165  -1.501
  132   2HG   GLN  20          HG3       GLN  20  -7.609  -0.806  -2.435
  133   1HE2  GLN  20          1HE2      GLN  20  -7.507  -2.487   0.748
  134   2HE2  GLN  20          2HE2      GLN  20  -6.890  -3.937   0.036
  135    H    TRP  21           H        TRP  21  -5.030   0.778   1.896
  136    HA   TRP  21           HA       TRP  21  -4.881   3.697   1.532
  137   1HB   TRP  21          HB2       TRP  21  -5.115   2.079   3.708
  138   2HB   TRP  21          HB3       TRP  21  -3.546   2.528   3.782
  139    HD1  TRP  21           HD       TRP  21  -6.819   4.239   3.250
  140    HE1  TRP  21           HE1      TRP  21  -6.913   6.445   4.623
  141    HE3  TRP  21           HE3      TRP  21  -2.187   4.101   5.276
  142    HZ2  TRP  21           HZ2      TRP  21  -5.202   7.859   6.462
  143    HZ3  TRP  21           HZ3      TRP  21  -1.433   5.836   6.900
  144    HH2  TRP  21           HH       TRP  21  -2.891   7.754   7.410
  145    H    GLY  22           H        GLY  22  -2.553   0.990   2.176
  146   1HA   GLY  22          HA1       GLY  22  -0.758   1.194   0.289
  147   2HA   GLY  22          HA2       GLY  22  -0.387   2.737   1.075
  148    H    TRP  23           H        TRP  23  -1.151  -0.389   2.711
  149    HA   TRP  23           HA       TRP  23   1.669  -0.325   3.791
  150   1HB   TRP  23          HB2       TRP  23  -0.813  -1.177   5.124
  151   2HB   TRP  23          HB3       TRP  23   0.685  -1.207   5.773
  152    HD1  TRP  23           HD       TRP  23  -2.268   0.953   5.428
  153    HE1  TRP  23           HE1      TRP  23  -1.924   2.901   7.034
  154    HE3  TRP  23           HE3      TRP  23   2.788   0.668   5.987
  155    HZ2  TRP  23           HZ2      TRP  23   0.300   4.445   8.065
  156    HZ3  TRP  23           HZ3      TRP  23   4.022   2.430   7.251
  157    HH2  TRP  23           HH       TRP  23   2.787   4.329   8.274
  158    H    CYS  24           H        CYS  24   2.504  -2.478   4.419
  159    HA   CYS  24           HA       CYS  24   1.670  -4.436   2.353
  160   1HB   CYS  24          HB2       CYS  24   4.205  -4.125   3.999
  161   2HB   CYS  24          HB3       CYS  24   3.910  -5.438   2.850
  162    H    GLY  25           H        GLY  25   0.948  -6.472   2.774
  163   1HA   GLY  25          HA1       GLY  25   1.361  -7.773   5.333
  164   2HA   GLY  25          HA2       GLY  25  -0.260  -7.051   5.224
  165    H    SER  26           H        SER  26   0.234  -9.867   5.508
  166    HA   SER  26           HA       SER  26  -0.765 -10.903   2.878
  167   1HB   SER  26          HB2       SER  26  -0.004 -13.009   3.689
  168   2HB   SER  26          HB3       SER  26   1.243 -11.961   3.810
  169    HG   SER  26           HG       SER  26  -0.458 -12.736   5.827
  170    H    THR  27           H        THR  27  -2.720  -9.544   3.968
  171    HA   THR  27           HA       THR  27  -4.512 -11.542   5.108
  172    HB   THR  27           HB       THR  27  -4.761 -10.831   7.186
  173    HG1  THR  27           HG1      THR  27  -5.914  -9.074   7.002
  174   1HG2  THR  27          1HG2      THR  27  -3.005  -9.496   8.267
  175   2HG2  THR  27          2HG2      THR  27  -2.301 -10.751   7.241
  176   3HG2  THR  27          3HG2      THR  27  -2.325  -9.056   6.694
  177    H    ASP  28           H        ASP  28  -6.691 -10.416   5.469
  178    HA   ASP  28           HA       ASP  28  -7.993 -10.135   3.118
  179   1HB   ASP  28          HB2       ASP  28  -9.574  -8.864   4.674
  180   2HB   ASP  28          HB3       ASP  28  -9.126 -10.354   5.172
  181    H    GLU  29           H        GLU  29  -7.749  -7.025   4.942
  182    HA   GLU  29           HA       GLU  29  -8.424  -5.626   2.599
  183   1HB   GLU  29          HB2       GLU  29  -8.340  -4.867   5.041
  184   2HB   GLU  29          HB3       GLU  29  -6.838  -4.325   4.700
  185   1HG   GLU  29          HG2       GLU  29  -8.817  -3.479   2.883
  186   2HG   GLU  29          HG3       GLU  29  -8.984  -2.872   4.390
  187    H    TYR  30           H        TYR  30  -5.177  -6.270   3.904
  188    HA   TYR  30           HA       TYR  30  -3.647  -4.889   1.954
  189   1HB   TYR  30          HB2       TYR  30  -2.896  -7.448   3.184
  190   2HB   TYR  30          HB3       TYR  30  -1.895  -6.310   2.573
  191    HD1  TYR  30           HD1      TYR  30  -1.265  -4.302   3.802
  192    HD2  TYR  30           HD2      TYR  30  -3.869  -7.314   5.399
  193    HE1  TYR  30           HE1      TYR  30  -0.820  -3.458   6.112
  194    HE2  TYR  30           HE2      TYR  30  -3.483  -6.431   7.697
  195    HH   TYR  30           HH       TYR  30  -1.416  -3.584   8.296
  196    H    CYS  31           H        CYS  31  -5.260  -8.136   1.742
  197    HA   CYS  31           HA       CYS  31  -4.119  -8.429  -0.985
  198   1HB   CYS  31          HB2       CYS  31  -5.697 -10.306   0.775
  199   2HB   CYS  31          HB3       CYS  31  -4.961 -10.698  -0.773
  200    H    SER  32           H        SER  32  -6.618  -6.653   0.088
  201    HA   SER  32           HA       SER  32  -8.684  -7.730  -1.743
  202   1HB   SER  32          HB2       SER  32  -8.680  -5.368   0.032
  203   2HB   SER  32          HB3       SER  32  -9.956  -5.846  -0.869
  204    HG   SER  32           HG       SER  32  -8.698  -7.474   0.985
  205   1HN   NH2  33          HN1       NH2  33  -6.037  -5.548  -1.925
  206   2HN   NH2  33          HN2       NH2  33  -6.445  -4.870  -3.486
  207    H1   NAG  34           H1       NAG  34 -11.966   4.199   5.764
  208    H2   NAG  34           H2       NAG  34  -9.511   5.111   4.250
  209    H3   NAG  34           H3       NAG  34  -9.731   2.951   6.380
  210    H4   NAG  34           H4       NAG  34  -8.315   5.670   6.340
  211    H5   NAG  34           H5       NAG  34 -10.816   4.780   7.851
  212   1H6   NAG  34          1H6       NAG  34  -9.351   7.461   7.691
  213   2H6   NAG  34          2H6       NAG  34  -9.524   6.446   9.144
  214   1H8   NAG  34          1H8       NAG  34  -9.706   2.009   0.761
  215   2H8   NAG  34          2H8       NAG  34  -9.727   1.064   2.266
  216   3H8   NAG  34          3H8       NAG  34 -11.222   1.851   1.673
  217    HN2  NAG  34           H2N      NAG  34 -10.948   2.467   3.988
  218    HO1  NAG  34           HO1      NAG  34 -12.850   5.978   4.571
  219    HO3  NAG  34           HO3      NAG  34  -7.775   2.458   5.657
  220    HO6  NAG  34           HO6      NAG  34 -11.687   7.411   7.624
  221    H1   NAG  35           H1       NAG  35  -6.400   4.511   7.038
  222    H2   NAG  35           H2       NAG  35  -6.611   3.628   9.920
  223    H3   NAG  35           H3       NAG  35  -4.060   3.842   8.272
  224    H4   NAG  35           H4       NAG  35  -5.495   1.300   9.151
  225    H5   NAG  35           H5       NAG  35  -5.358   2.602   6.410
  226   1H6   NAG  35          1H6       NAG  35  -6.683   0.004   7.309
  227   2H6   NAG  35          2H6       NAG  35  -5.298   0.184   6.208
  228   1H8   NAG  35          1H8       NAG  35  -5.691   7.865  10.821
  229   2H8   NAG  35          2H8       NAG  35  -4.020   8.131  10.268
  230   3H8   NAG  35          3H8       NAG  35  -5.349   8.148   9.083
  231    HN2  NAG  35           H2N      NAG  35  -6.699   6.138   9.353
  232    HO3  NAG  35           HO3      NAG  35  -3.736   4.042  10.408
  233    HO6  NAG  35           HO6      NAG  35  -7.053  -0.045   4.980
  234    H1   NAG  36           H1       NAG  36  -3.517   0.361   9.867
  235    H2   NAG  36           H2       NAG  36  -1.767  -0.195   7.486
  236    H3   NAG  36           H3       NAG  36  -1.553  -1.525  10.161
  237    H4   NAG  36           H4       NAG  36   0.230   0.447   8.630
  238    H5   NAG  36           H5       NAG  36  -1.496   0.703  11.143
  239   1H6   NAG  36          1H6       NAG  36  -0.675   3.121  11.055
  240   2H6   NAG  36          2H6       NAG  36   0.621   2.552   9.996
  241   1H8   NAG  36          1H8       NAG  36  -5.642  -2.438   6.408
  242   2H8   NAG  36          2H8       NAG  36  -4.422  -3.461   5.639
  243   3H8   NAG  36          3H8       NAG  36  -4.702  -3.603   7.390
  244    HN2  NAG  36           H2N      NAG  36  -3.639  -2.226   8.685
  245    HO4  NAG  36           HO4      NAG  36   1.401  -1.163   9.898
  246    HO3  NAG  36           HO3      NAG  36   0.471  -2.028   8.774
  247    HO6  NAG  36           HO6      NAG  36   0.131   1.939  12.702
  Start of MODEL   21
    1   1H    GLU   1           H1       GLU   1   2.677   6.095   4.892
    2   2H    GLU   1           H2       GLU   1   2.999   4.640   5.579
    3   3H    GLU   1           H3       GLU   1   1.554   5.433   5.902
    4    HA   GLU   1           HA       GLU   1   1.294   3.572   4.325
    5   1HB   GLU   1          HB2       GLU   1   0.635   6.338   3.623
    6   2HB   GLU   1          HB3       GLU   1   0.329   5.160   2.534
    7   1HG   GLU   1          HG2       GLU   1  -1.627   5.498   3.696
    8   2HG   GLU   1          HG3       GLU   1  -1.027   4.066   4.202
    9    H    GLN   2           H        GLN   2   2.295   2.451   2.721
   10    HA   GLN   2           HA       GLN   2   4.917   3.621   1.909
   11   1HB   GLN   2          HB2       GLN   2   4.475   0.759   2.305
   12   2HB   GLN   2          HB3       GLN   2   5.836   1.633   2.531
   13   1HG   GLN   2          HG2       GLN   2   3.590   1.679   4.324
   14   2HG   GLN   2          HG3       GLN   2   4.940   0.794   4.578
   15   1HE2  GLN   2          1HE2      GLN   2   6.971   1.824   5.136
   16   2HE2  GLN   2          2HE2      GLN   2   6.883   3.488   5.753
   17    H    CYS   3           H        CYS   3   2.403   1.317   0.909
   18    HA   CYS   3           HA       CYS   3   3.605   1.158  -1.830
   19   1HB   CYS   3          HB2       CYS   3   2.806  -1.100  -1.930
   20   2HB   CYS   3          HB3       CYS   3   3.629  -0.910  -0.393
   21    H    GLY   4           H        GLY   4   1.900   0.608  -3.525
   22   1HA   GLY   4          HA1       GLY   4  -0.043   1.092  -4.660
   23   2HA   GLY   4          HA2       GLY   4  -0.844   1.104  -3.089
   24    H    ARG   5           H        ARG   5  -2.034   2.633  -4.678
   25    HA   ARG   5           HA       ARG   5  -1.116   4.875  -5.801
   26   1HB   ARG   5          HB2       ARG   5  -3.373   5.651  -5.793
   27   2HB   ARG   5          HB3       ARG   5  -3.225   4.084  -6.232
   28   1HG   ARG   5          HG2       ARG   5  -4.262   4.850  -3.680
   29   2HG   ARG   5          HG3       ARG   5  -5.222   4.652  -4.987
   30   1HD   ARG   5          HD2       ARG   5  -5.493   2.658  -4.013
   31   2HD   ARG   5          HD3       ARG   5  -4.224   2.311  -4.981
   32    HE   ARG   5           HE       ARG   5  -3.311   3.282  -2.521
   33   1HH1  ARG   5          2HH2      ARG   5  -4.723   0.193  -3.514
   34   2HH1  ARG   5          1HH2      ARG   5  -3.946  -0.585  -2.176
   35   1HH2  ARG   5          2HH1      ARG   5  -2.323   2.211  -1.058
   36   2HH2  ARG   5          1HH1      ARG   5  -2.630   0.522  -0.832
   37    H    GLN   6           H        GLN   6  -2.486   5.196  -2.457
   38    HA   GLN   6           HA       GLN   6  -1.815   8.010  -2.454
   39   1HB   GLN   6          HB2       GLN   6  -2.467   7.987  -0.192
   40   2HB   GLN   6          HB3       GLN   6  -3.566   7.152  -1.064
   41   1HG   GLN   6          HG2       GLN   6  -1.578   5.758   0.455
   42   2HG   GLN   6          HG3       GLN   6  -2.967   6.247   1.162
   43   1HE2  GLN   6          1HE2      GLN   6  -4.940   5.130   0.791
   44   2HE2  GLN   6          2HE2      GLN   6  -4.946   3.666  -0.187
   45    H    ALA   7           H        ALA   7   0.281   5.314  -2.159
   46    HA   ALA   7           HA       ALA   7   2.259   7.054  -0.739
   47   1HB   ALA   7          HB1       ALA   7   3.388   5.063  -0.117
   48   2HB   ALA   7          HB2       ALA   7   1.673   4.801   0.256
   49   3HB   ALA   7          HB3       ALA   7   2.381   4.068  -1.200
   50    H    GLY   8           H        GLY   8   1.298   6.583  -3.848
   51   1HA   GLY   8          HA1       GLY   8   2.596   7.347  -5.680
   52   2HA   GLY   8          HA2       GLY   8   4.087   6.902  -4.859
   53    H    GLY   9           H        GLY   9   1.686   4.407  -4.743
   54   1HA   GLY   9          HA1       GLY   9   1.096   2.718  -6.246
   55   2HA   GLY   9          HA2       GLY   9   2.154   3.432  -7.454
   56    H    LYS  10           H        LYS  10   3.937   2.874  -4.626
   57    HA   LYS  10           HA       LYS  10   5.486   0.845  -5.979
   58   1HB   LYS  10          HB2       LYS  10   5.735   1.708  -3.158
   59   2HB   LYS  10          HB3       LYS  10   6.861   0.896  -4.019
   60   1HG   LYS  10          HG2       LYS  10   7.713   2.873  -4.475
   61   2HG   LYS  10          HG3       LYS  10   6.464   3.046  -5.513
   62   1HD   LYS  10          HD2       LYS  10   6.295   4.931  -4.254
   63   2HD   LYS  10          HD3       LYS  10   5.226   3.939  -3.518
   64   1HE   LYS  10          HE2       LYS  10   7.199   3.291  -2.085
   65   2HE   LYS  10          HE3       LYS  10   7.828   4.710  -2.594
   66   1HZ   LYS  10          HZ1       LYS  10   5.493   4.287  -1.022
   67   2HZ   LYS  10          HZ2       LYS  10   6.771   5.251  -0.636
   68   3HZ   LYS  10          HZ3       LYS  10   5.680   5.698  -1.815
   69    H    LEU  11           H        LEU  11   6.215  -1.180  -4.818
   70    HA   LEU  11           HA       LEU  11   3.772  -2.782  -4.209
   71   1HB   LEU  11          HB2       LEU  11   6.395  -3.647  -5.272
   72   2HB   LEU  11          HB3       LEU  11   5.054  -4.570  -5.139
   73    HG   LEU  11           HG       LEU  11   5.393  -2.265  -6.991
   74   1HD1  LEU  11          1HD1      LEU  11   6.603  -4.317  -7.652
   75   2HD1  LEU  11          2HD1      LEU  11   5.092  -5.245  -7.534
   76   3HD1  LEU  11          3HD1      LEU  11   5.257  -3.960  -8.748
   77   1HD2  LEU  11          1HD2      LEU  11   3.042  -2.375  -6.290
   78   2HD2  LEU  11          2HD2      LEU  11   3.200  -2.997  -7.931
   79   3HD2  LEU  11          3HD2      LEU  11   3.012  -4.133  -6.580
   80    H    CYS  12           H        CYS  12   4.674  -5.020  -3.137
   81    HA   CYS  12           HA       CYS  12   5.912  -4.236  -0.546
   82   1HB   CYS  12          HB2       CYS  12   3.593  -6.040  -1.309
   83   2HB   CYS  12          HB3       CYS  12   4.394  -6.185   0.240
   84    HA   PRO  13           HA       PRO  13   8.785  -7.437  -1.261
   85   1HB   PRO  13          HB2       PRO  13   9.663  -7.935   1.179
   86   2HB   PRO  13          HB3       PRO  13   9.787  -6.420   0.582
   87   1HG   PRO  13          HG2       PRO  13   7.737  -7.416   2.384
   88   2HG   PRO  13          HG3       PRO  13   8.589  -6.032   2.543
   89   1HD   PRO  13          HD2       PRO  13   6.207  -6.007   1.445
   90   2HD   PRO  13          HD3       PRO  13   7.353  -4.947   0.965
   91    H    ASN  14           H        ASN  14   9.616  -9.593  -0.554
   92    HA   ASN  14           HA       ASN  14   9.452 -11.835  -0.569
   93   1HB   ASN  14          HB2       ASN  14   7.817 -11.148   1.793
   94   2HB   ASN  14          HB3       ASN  14   8.446 -12.629   1.513
   95   1HD2  ASN  14          1HD2      ASN  14   9.381 -12.099   3.794
   96   2HD2  ASN  14          2HD2      ASN  14  10.940 -11.274   3.683
   97    H    ASN  15           H        ASN  15   6.149 -11.154   0.421
   98    HA   ASN  15           HA       ASN  15   5.083 -12.283  -2.062
   99   1HB   ASN  15          HB2       ASN  15   3.988 -14.094  -1.178
  100   2HB   ASN  15          HB3       ASN  15   5.427 -14.181  -0.411
  101   1HD2  ASN  15          1HD2      ASN  15   2.176 -13.002   0.021
  102   2HD2  ASN  15          2HD2      ASN  15   2.018 -13.434   1.726
  103    H    LEU  16           H        LEU  16   4.846  -9.771   0.147
  104    HA   LEU  16           HA       LEU  16   2.247 -10.495   1.145
  105   1HB   LEU  16          HB2       LEU  16   3.641  -7.943   1.567
  106   2HB   LEU  16          HB3       LEU  16   2.515  -8.635   2.526
  107    HG   LEU  16           HG       LEU  16   5.324  -9.538   2.238
  108   1HD1  LEU  16          1HD1      LEU  16   3.826  -8.263   4.557
  109   2HD1  LEU  16          2HD1      LEU  16   5.507  -8.830   4.585
  110   3HD1  LEU  16          3HD1      LEU  16   5.057  -7.472   3.541
  111   1HD2  LEU  16          1HD2      LEU  16   3.228 -10.613   4.159
  112   2HD2  LEU  16          2HD2      LEU  16   3.788 -11.463   2.692
  113   3HD2  LEU  16          3HD2      LEU  16   4.911 -11.120   4.007
  114    H    CYS  17           H        CYS  17   0.364  -9.318   1.094
  115    HA   CYS  17           HA       CYS  17  -0.311  -8.010  -1.425
  116   1HB   CYS  17          HB2       CYS  17  -1.896  -8.287   1.160
  117   2HB   CYS  17          HB3       CYS  17  -2.492  -7.721  -0.387
  118    H    CYS  18           H        CYS  18  -1.487  -5.894  -1.243
  119    HA   CYS  18           HA       CYS  18  -0.046  -3.908   0.428
  120   1HB   CYS  18          HB2       CYS  18   1.000  -3.855  -1.773
  121   2HB   CYS  18          HB3       CYS  18  -0.584  -3.804  -2.554
  122    H    SER  19           H        SER  19  -1.616  -3.021   1.656
  123    HA   SER  19           HA       SER  19  -4.347  -3.561   1.259
  124   1HB   SER  19          HB2       SER  19  -4.654  -2.161   3.137
  125   2HB   SER  19          HB3       SER  19  -3.234  -2.933   3.369
  126    HG   SER  19           HG       SER  19  -3.171  -0.826   3.985
  127    H    GLN  20           H        GLN  20  -6.161  -2.094   1.127
  128    HA   GLN  20           HA       GLN  20  -6.155  -0.244  -1.056
  129   1HB   GLN  20          HB2       GLN  20  -8.279   0.345  -0.317
  130   2HB   GLN  20          HB3       GLN  20  -8.136  -1.261  -0.055
  131   1HG   GLN  20          HG2       GLN  20  -8.153   0.787   1.966
  132   2HG   GLN  20          HG3       GLN  20  -9.302  -0.351   1.737
  133   1HE2  GLN  20          1HE2      GLN  20  -8.515  -2.810   1.988
  134   2HE2  GLN  20          2HE2      GLN  20  -7.281  -2.957   3.236
  135    H    TRP  21           H        TRP  21  -5.415   0.174   2.389
  136    HA   TRP  21           HA       TRP  21  -5.060   3.031   2.174
  137   1HB   TRP  21          HB2       TRP  21  -4.959   1.028   4.219
  138   2HB   TRP  21          HB3       TRP  21  -3.893   2.241   4.458
  139    HD1  TRP  21           HD       TRP  21  -7.432   1.457   4.906
  140    HE1  TRP  21           HE1      TRP  21  -8.677   3.574   5.676
  141    HE3  TRP  21           HE3      TRP  21  -3.788   4.916   4.125
  142    HZ2  TRP  21           HZ2      TRP  21  -8.375   6.473   5.270
  143    HZ3  TRP  21           HZ3      TRP  21  -4.291   7.347   4.190
  144    HH2  TRP  21           HH       TRP  21  -6.587   8.136   4.685
  145    H    GLY  22           H        GLY  22  -2.818   0.354   1.733
  146   1HA   GLY  22          HA1       GLY  22  -0.888   0.962   0.261
  147   2HA   GLY  22          HA2       GLY  22  -0.723   2.475   1.158
  148    H    TRP  23           H        TRP  23  -1.335  -0.669   2.759
  149    HA   TRP  23           HA       TRP  23   1.524  -0.530   3.715
  150   1HB   TRP  23          HB2       TRP  23  -0.928  -1.305   5.142
  151   2HB   TRP  23          HB3       TRP  23   0.584  -1.383   5.755
  152    HD1  TRP  23           HD       TRP  23  -2.245   0.939   5.308
  153    HE1  TRP  23           HE1      TRP  23  -1.791   2.965   6.834
  154    HE3  TRP  23           HE3      TRP  23   2.714   0.323   5.981
  155    HZ2  TRP  23           HZ2      TRP  23   0.472   4.279   7.990
  156    HZ3  TRP  23           HZ3      TRP  23   4.054   1.957   7.373
  157    HH2  TRP  23           HH       TRP  23   2.926   3.939   8.359
  158    H    CYS  24           H        CYS  24   2.358  -2.680   4.496
  159    HA   CYS  24           HA       CYS  24   1.628  -4.634   2.359
  160   1HB   CYS  24          HB2       CYS  24   4.176  -4.265   3.958
  161   2HB   CYS  24          HB3       CYS  24   3.891  -5.560   2.789
  162    H    GLY  25           H        GLY  25   0.982  -6.646   2.824
  163   1HA   GLY  25          HA1       GLY  25   0.658  -7.370   5.744
  164   2HA   GLY  25          HA2       GLY  25  -0.682  -7.247   4.611
  165    H    SER  26           H        SER  26  -0.763  -8.683   2.822
  166    HA   SER  26           HA       SER  26  -0.652 -10.851   1.862
  167   1HB   SER  26          HB2       SER  26   1.500 -11.337   3.001
  168   2HB   SER  26          HB3       SER  26   0.650 -11.926   4.265
  169    HG   SER  26           HG       SER  26  -0.436 -13.284   2.814
  170    H    THR  27           H        THR  27  -2.430  -9.552   4.231
  171    HA   THR  27           HA       THR  27  -4.150 -11.970   4.441
  172    HB   THR  27           HB       THR  27  -4.698 -11.488   6.680
  173    HG1  THR  27           HG1      THR  27  -4.947  -9.403   6.955
  174   1HG2  THR  27          1HG2      THR  27  -2.607 -11.503   7.901
  175   2HG2  THR  27          2HG2      THR  27  -2.382 -12.453   6.417
  176   3HG2  THR  27          3HG2      THR  27  -1.714 -10.809   6.540
  177    H    ASP  28           H        ASP  28  -6.375 -11.423   4.848
  178    HA   ASP  28           HA       ASP  28  -8.133 -10.124   3.551
  179   1HB   ASP  28          HB2       ASP  28  -8.992  -9.332   5.859
  180   2HB   ASP  28          HB3       ASP  28  -8.767 -10.932   5.617
  181    H    GLU  29           H        GLU  29  -7.023  -7.804   6.061
  182    HA   GLU  29           HA       GLU  29  -8.251  -5.691   4.475
  183   1HB   GLU  29          HB2       GLU  29  -7.858  -5.782   7.004
  184   2HB   GLU  29          HB3       GLU  29  -6.411  -5.098   6.679
  185   1HG   GLU  29          HG2       GLU  29  -7.638  -3.351   5.470
  186   2HG   GLU  29          HG3       GLU  29  -9.005  -3.973   6.112
  187    H    TYR  30           H        TYR  30  -5.243  -7.211   4.150
  188    HA   TYR  30           HA       TYR  30  -4.042  -4.865   2.788
  189   1HB   TYR  30          HB2       TYR  30  -2.799  -7.392   3.599
  190   2HB   TYR  30          HB3       TYR  30  -2.036  -6.104   2.946
  191    HD1  TYR  30           HD1      TYR  30  -3.810  -7.289   5.917
  192    HD2  TYR  30           HD2      TYR  30  -1.218  -4.290   4.238
  193    HE1  TYR  30           HE1      TYR  30  -3.389  -6.370   8.192
  194    HE2  TYR  30           HE2      TYR  30  -0.708  -3.460   6.525
  195    HH   TYR  30           HH       TYR  30  -1.201  -3.614   8.696
  196    H    CYS  31           H        CYS  31  -5.420  -8.111   2.199
  197    HA   CYS  31           HA       CYS  31  -4.597  -7.942  -0.649
  198   1HB   CYS  31          HB2       CYS  31  -6.193 -10.021   0.861
  199   2HB   CYS  31          HB3       CYS  31  -5.535 -10.168  -0.761
  200    H    SER  32           H        SER  32  -7.276  -7.090   1.360
  201    HA   SER  32           HA       SER  32  -8.516  -5.648  -0.838
  202   1HB   SER  32          HB2       SER  32  -9.823  -8.081   0.187
  203   2HB   SER  32          HB3       SER  32 -10.728  -6.820  -0.323
  204    HG   SER  32           HG       SER  32  -8.723  -7.875  -1.894
  205   1HN   NH2  33          HN1       NH2  33  -9.667  -7.108   2.256
  206   2HN   NH2  33          HN2       NH2  33  -9.974  -5.579   3.049
  207    H1   NAG  34           H1       NAG  34 -11.127   4.931  10.597
  208    H2   NAG  34           H2       NAG  34 -10.893   4.628   7.591
  209    H3   NAG  34           H3       NAG  34  -8.928   3.506   9.596
  210    H4   NAG  34           H4       NAG  34  -8.483   5.824   7.683
  211    H5   NAG  34           H5       NAG  34  -9.040   5.918  10.692
  212   1H6   NAG  34          1H6       NAG  34  -9.201   8.430  10.164
  213   2H6   NAG  34          2H6       NAG  34  -8.274   8.081   8.698
  214   1H8   NAG  34          1H8       NAG  34 -11.995   0.323  10.619
  215   2H8   NAG  34          2H8       NAG  34 -13.066   0.925   9.326
  216   3H8   NAG  34          3H8       NAG  34 -11.461   0.222   8.924
  217    HN2  NAG  34           H2N      NAG  34 -11.790   2.485   7.883
  218    HO1  NAG  34           HO1      NAG  34 -12.610   5.817   8.293
  219    HO3  NAG  34           HO3      NAG  34  -8.442   2.452   7.860
  220    HO6  NAG  34           HO6      NAG  34  -6.560   7.468   9.978
  221    H1   NAG  35           H1       NAG  35  -6.511   4.523   7.274
  222    H2   NAG  35           H2       NAG  35  -4.517   4.863   9.519
  223    H3   NAG  35           H3       NAG  35  -4.017   3.504   6.857
  224    H4   NAG  35           H4       NAG  35  -4.340   2.270   9.664
  225    H5   NAG  35           H5       NAG  35  -5.949   2.235   7.104
  226   1H6   NAG  35          1H6       NAG  35  -6.610   0.668   9.619
  227   2H6   NAG  35          2H6       NAG  35  -6.002  -0.036   8.107
  228   1H8   NAG  35          1H8       NAG  35  -3.645   9.129   7.937
  229   2H8   NAG  35          2H8       NAG  35  -2.688   7.879   7.091
  230   3H8   NAG  35          3H8       NAG  35  -4.254   8.431   6.415
  231    HN2  NAG  35           H2N      NAG  35  -3.614   5.822   6.917
  232    HO3  NAG  35           HO3      NAG  35  -2.333   4.603   7.712
  233    HO6  NAG  35           HO6      NAG  35  -8.075  -0.182   7.806
  234    H1   NAG  36           H1       NAG  36  -3.406   0.065   9.848
  235    H2   NAG  36           H2       NAG  36  -1.628  -0.241   7.458
  236    H3   NAG  36           H3       NAG  36  -1.414  -1.650  10.129
  237    H4   NAG  36           H4       NAG  36   0.335   0.390   8.688
  238    H5   NAG  36           H5       NAG  36  -1.429   0.633  11.180
  239   1H6   NAG  36          1H6       NAG  36   0.656   2.428   9.907
  240   2H6   NAG  36          2H6       NAG  36   0.275   2.208  11.614
  241   1H8   NAG  36          1H8       NAG  36  -5.442  -2.436   5.842
  242   2H8   NAG  36          2H8       NAG  36  -4.212  -3.714   5.938
  243   3H8   NAG  36          3H8       NAG  36  -5.069  -3.183   7.415
  244    HN2  NAG  36           H2N      NAG  36  -3.249  -2.554   8.465
  245    HO4  NAG  36           HO4      NAG  36   1.562  -1.154  10.001
  246    HO3  NAG  36           HO3      NAG  36   0.698  -2.060   8.874
  247    HO6  NAG  36           HO6      NAG  36  -1.574   3.314   9.752
  Start of MODEL   22
    1   1H    GLU   1           H1       GLU   1   1.803   7.288   5.072
    2   2H    GLU   1           H2       GLU   1   2.298   7.373   3.482
    3   3H    GLU   1           H3       GLU   1   3.364   6.879   4.634
    4    HA   GLU   1           HA       GLU   1   1.840   5.034   5.170
    5   1HB   GLU   1          HB2       GLU   1   0.791   5.523   2.463
    6   2HB   GLU   1          HB3       GLU   1   0.293   4.403   3.543
    7   1HG   GLU   1          HG2       GLU   1  -0.251   7.223   3.588
    8   2HG   GLU   1          HG3       GLU   1  -1.339   6.005   3.602
    9    H    GLN   2           H        GLN   2   2.000   3.015   3.249
   10    HA   GLN   2           HA       GLN   2   4.968   3.054   2.844
   11   1HB   GLN   2          HB2       GLN   2   4.403   1.952   4.781
   12   2HB   GLN   2          HB3       GLN   2   3.085   1.227   4.144
   13   1HG   GLN   2          HG2       GLN   2   4.490  -0.286   2.974
   14   2HG   GLN   2          HG3       GLN   2   5.803   0.434   3.628
   15   1HE2  GLN   2          1HE2      GLN   2   6.213   0.293   5.964
   16   2HE2  GLN   2          2HE2      GLN   2   5.431  -0.998   6.863
   17    H    CYS   3           H        CYS   3   1.916   1.991   1.378
   18    HA   CYS   3           HA       CYS   3   3.463   1.238  -1.015
   19   1HB   CYS   3          HB2       CYS   3   2.578  -1.062  -1.062
   20   2HB   CYS   3          HB3       CYS   3   3.521  -0.771   0.393
   21    H    GLY   4           H        GLY   4   2.111   0.422  -2.795
   22   1HA   GLY   4          HA1       GLY   4   0.201   0.427  -4.145
   23   2HA   GLY   4          HA2       GLY   4  -0.769   0.788  -2.709
   24    H    ARG   5           H        ARG   5  -1.983   2.136  -4.191
   25    HA   ARG   5           HA       ARG   5  -1.307   4.116  -5.887
   26   1HB   ARG   5          HB2       ARG   5  -3.493   4.513  -3.943
   27   2HB   ARG   5          HB3       ARG   5  -3.431   5.017  -5.495
   28   1HG   ARG   5          HG2       ARG   5  -4.625   3.271  -6.001
   29   2HG   ARG   5          HG3       ARG   5  -3.296   2.370  -5.706
   30   1HD   ARG   5          HD2       ARG   5  -5.490   2.839  -3.903
   31   2HD   ARG   5          HD3       ARG   5  -5.001   1.396  -4.492
   32    HE   ARG   5           HE       ARG   5  -3.372   2.900  -2.594
   33   1HH1  ARG   5          2HH2      ARG   5  -5.141  -0.125  -3.049
   34   2HH1  ARG   5          1HH2      ARG   5  -4.387  -0.792  -1.640
   35   1HH2  ARG   5          2HH1      ARG   5  -2.377   1.900  -1.012
   36   2HH2  ARG   5          1HH1      ARG   5  -2.878   0.315  -0.529
   37    H    GLN   6           H        GLN   6  -1.818   4.858  -2.478
   38    HA   GLN   6           HA       GLN   6  -0.915   7.582  -2.584
   39   1HB   GLN   6          HB2       GLN   6  -0.960   7.377  -0.155
   40   2HB   GLN   6          HB3       GLN   6  -2.355   6.903  -0.860
   41   1HG   GLN   6          HG2       GLN   6  -0.474   4.884  -0.139
   42   2HG   GLN   6          HG3       GLN   6  -1.384   5.544   1.047
   43   1HE2  GLN   6          1HE2      GLN   6  -3.440   4.755   1.423
   44   2HE2  GLN   6          2HE2      GLN   6  -4.295   3.714   0.279
   45    H    ALA   7           H        ALA   7   0.951   4.726  -2.690
   46    HA   ALA   7           HA       ALA   7   3.406   6.339  -2.200
   47   1HB   ALA   7          HB1       ALA   7   3.105   4.390  -0.632
   48   2HB   ALA   7          HB2       ALA   7   3.090   3.323  -2.060
   49   3HB   ALA   7          HB3       ALA   7   4.543   4.264  -1.670
   50    H    GLY   8           H        GLY   8   1.645   6.296  -4.632
   51   1HA   GLY   8          HA1       GLY   8   2.123   6.510  -6.873
   52   2HA   GLY   8          HA2       GLY   8   3.817   6.133  -6.531
   53    H    GLY   9           H        GLY   9   1.620   3.740  -5.393
   54   1HA   GLY   9          HA1       GLY   9   0.912   1.702  -6.422
   55   2HA   GLY   9          HA2       GLY   9   1.929   2.040  -7.821
   56    H    LYS  10           H        LYS  10   3.885   2.738  -5.150
   57    HA   LYS  10           HA       LYS  10   5.593   0.581  -5.719
   58   1HB   LYS  10          HB2       LYS  10   5.997   2.789  -4.543
   59   2HB   LYS  10          HB3       LYS  10   5.651   2.003  -3.154
   60   1HG   LYS  10          HG2       LYS  10   7.720   1.094  -4.912
   61   2HG   LYS  10          HG3       LYS  10   8.022   2.188  -3.738
   62   1HD   LYS  10          HD2       LYS  10   7.187  -0.523  -3.272
   63   2HD   LYS  10          HD3       LYS  10   8.707   0.037  -3.062
   64   1HE   LYS  10          HE2       LYS  10   8.106   0.315  -0.965
   65   2HE   LYS  10          HE3       LYS  10   7.358   1.661  -1.509
   66   1HZ   LYS  10          HZ1       LYS  10   5.339   0.379  -1.773
   67   2HZ   LYS  10          HZ2       LYS  10   6.114  -0.904  -1.169
   68   3HZ   LYS  10          HZ3       LYS  10   5.849   0.431  -0.210
   69    H    LEU  11           H        LEU  11   5.208  -1.467  -5.461
   70    HA   LEU  11           HA       LEU  11   3.275  -2.651  -3.750
   71   1HB   LEU  11          HB2       LEU  11   5.471  -3.913  -5.279
   72   2HB   LEU  11          HB3       LEU  11   4.147  -4.680  -4.709
   73    HG   LEU  11           HG       LEU  11   4.156  -2.611  -6.848
   74   1HD1  LEU  11          1HD1      LEU  11   3.553  -5.592  -6.952
   75   2HD1  LEU  11          2HD1      LEU  11   3.483  -4.450  -8.310
   76   3HD1  LEU  11          3HD1      LEU  11   5.038  -4.813  -7.541
   77   1HD2  LEU  11          1HD2      LEU  11   1.849  -4.220  -5.648
   78   2HD2  LEU  11          2HD2      LEU  11   2.056  -2.448  -5.593
   79   3HD2  LEU  11          3HD2      LEU  11   1.757  -3.250  -7.133
   80    H    CYS  12           H        CYS  12   4.115  -4.925  -2.704
   81    HA   CYS  12           HA       CYS  12   5.628  -4.011  -0.312
   82   1HB   CYS  12          HB2       CYS  12   3.303  -5.871  -0.837
   83   2HB   CYS  12          HB3       CYS  12   4.176  -5.941   0.683
   84    HA   PRO  13           HA       PRO  13   8.731  -6.794  -0.890
   85   1HB   PRO  13          HB2       PRO  13   9.493  -7.528   1.560
   86   2HB   PRO  13          HB3       PRO  13   9.584  -5.972   1.075
   87   1HG   PRO  13          HG2       PRO  13   7.505  -7.173   2.698
   88   2HG   PRO  13          HG3       PRO  13   8.255  -5.746   2.961
   89   1HD   PRO  13          HD2       PRO  13   5.931  -5.796   1.772
   90   2HD   PRO  13          HD3       PRO  13   7.041  -4.674   1.351
   91    H    ASN  14           H        ASN  14   9.749  -8.822  -0.691
   92    HA   ASN  14           HA       ASN  14   9.937 -10.996  -1.138
   93   1HB   ASN  14          HB2       ASN  14   9.556 -10.888   1.361
   94   2HB   ASN  14          HB3       ASN  14   8.092 -11.556   1.079
   95   1HD2  ASN  14          1HD2      ASN  14   7.888 -13.869   0.630
   96   2HD2  ASN  14          2HD2      ASN  14   9.397 -14.774   0.542
   97    H    ASN  15           H        ASN  15   6.537 -10.822  -0.253
   98    HA   ASN  15           HA       ASN  15   5.573 -11.578  -2.889
   99   1HB   ASN  15          HB2       ASN  15   4.747 -13.737  -2.278
  100   2HB   ASN  15          HB3       ASN  15   6.359 -13.722  -2.019
  101   1HD2  ASN  15          1HD2      ASN  15   3.306 -13.347  -0.388
  102   2HD2  ASN  15          2HD2      ASN  15   3.871 -14.095   1.134
  103    H    LEU  16           H        LEU  16   5.077  -9.560  -0.513
  104    HA   LEU  16           HA       LEU  16   2.412 -10.440   0.384
  105   1HB   LEU  16          HB2       LEU  16   4.240  -8.263   1.194
  106   2HB   LEU  16          HB3       LEU  16   2.779  -8.513   1.880
  107    HG   LEU  16           HG       LEU  16   5.067 -10.421   1.960
  108   1HD1  LEU  16          1HD1      LEU  16   3.698  -8.794   4.143
  109   2HD1  LEU  16          2HD1      LEU  16   5.079  -9.897   4.354
  110   3HD1  LEU  16          3HD1      LEU  16   5.276  -8.409   3.404
  111   1HD2  LEU  16          1HD2      LEU  16   2.262 -10.582   3.131
  112   2HD2  LEU  16          2HD2      LEU  16   3.002 -11.726   1.985
  113   3HD2  LEU  16          3HD2      LEU  16   3.604 -11.625   3.642
  114    H    CYS  17           H        CYS  17   0.806  -8.775   0.777
  115    HA   CYS  17           HA       CYS  17   0.244  -7.248  -1.722
  116   1HB   CYS  17          HB2       CYS  17  -1.256  -9.235  -0.585
  117   2HB   CYS  17          HB3       CYS  17  -1.914  -7.856   0.235
  118    H    CYS  18           H        CYS  18  -1.620  -5.557  -0.895
  119    HA   CYS  18           HA       CYS  18  -0.366  -3.800   1.133
  120   1HB   CYS  18          HB2       CYS  18   0.586  -3.234  -1.110
  121   2HB   CYS  18          HB3       CYS  18  -1.056  -3.017  -1.723
  122    H    SER  19           H        SER  19  -1.842  -2.631   2.248
  123    HA   SER  19           HA       SER  19  -4.615  -3.287   2.123
  124   1HB   SER  19          HB2       SER  19  -4.777  -1.822   3.944
  125   2HB   SER  19          HB3       SER  19  -3.315  -2.532   4.106
  126    HG   SER  19           HG       SER  19  -3.292  -0.348   4.558
  127    H    GLN  20           H        GLN  20  -6.146  -1.264   2.455
  128    HA   GLN  20           HA       GLN  20  -6.363   0.105  -0.142
  129   1HB   GLN  20          HB2       GLN  20  -8.012   0.631   2.244
  130   2HB   GLN  20          HB3       GLN  20  -8.415   0.822   0.673
  131   1HG   GLN  20          HG2       GLN  20  -9.633  -0.985   1.400
  132   2HG   GLN  20          HG3       GLN  20  -8.430  -1.617   0.494
  133   1HE2  GLN  20          1HE2      GLN  20  -8.699  -3.758   1.594
  134   2HE2  GLN  20          2HE2      GLN  20  -7.883  -3.838   3.181
  135    H    TRP  21           H        TRP  21  -5.690   0.833   3.279
  136    HA   TRP  21           HA       TRP  21  -5.201   3.633   2.746
  137   1HB   TRP  21          HB2       TRP  21  -5.567   2.067   5.042
  138   2HB   TRP  21          HB3       TRP  21  -4.235   2.990   5.246
  139    HD1  TRP  21           HD       TRP  21  -7.874   3.170   5.337
  140    HE1  TRP  21           HE1      TRP  21  -8.732   5.627   5.368
  141    HE3  TRP  21           HE3      TRP  21  -3.444   5.593   4.601
  142    HZ2  TRP  21           HZ2      TRP  21  -7.669   8.218   4.688
  143    HZ3  TRP  21           HZ3      TRP  21  -3.395   8.030   4.153
  144    HH2  TRP  21           HH       TRP  21  -5.493   9.348   4.155
  145    H    GLY  22           H        GLY  22  -3.117   0.868   2.534
  146   1HA   GLY  22          HA1       GLY  22  -1.290   1.352   0.936
  147   2HA   GLY  22          HA2       GLY  22  -0.974   2.864   1.789
  148    H    TRP  23           H        TRP  23  -1.505  -0.384   3.264
  149    HA   TRP  23           HA       TRP  23   1.363  -0.284   4.146
  150   1HB   TRP  23          HB2       TRP  23  -1.060  -0.698   5.777
  151   2HB   TRP  23          HB3       TRP  23   0.473  -0.811   6.329
  152    HD1  TRP  23           HD       TRP  23  -2.135   1.729   5.440
  153    HE1  TRP  23           HE1      TRP  23  -1.376   4.066   6.342
  154    HE3  TRP  23           HE3      TRP  23   2.706   0.685   6.411
  155    HZ2  TRP  23           HZ2      TRP  23   0.939   5.177   7.580
  156    HZ3  TRP  23           HZ3      TRP  23   4.229   2.397   7.451
  157    HH2  TRP  23           HH       TRP  23   3.339   4.651   8.015
  158    H    CYS  24           H        CYS  24   2.320  -2.381   4.636
  159    HA   CYS  24           HA       CYS  24   1.283  -4.205   2.629
  160   1HB   CYS  24          HB2       CYS  24   3.776  -4.201   4.357
  161   2HB   CYS  24          HB3       CYS  24   3.443  -5.422   3.125
  162    H    GLY  25           H        GLY  25   0.887  -6.490   2.778
  163   1HA   GLY  25          HA1       GLY  25   0.937  -7.813   5.371
  164   2HA   GLY  25          HA2       GLY  25  -0.694  -7.324   4.903
  165    H    SER  26           H        SER  26  -0.304  -9.922   5.362
  166    HA   SER  26           HA       SER  26  -0.073 -11.252   2.689
  167   1HB   SER  26          HB2       SER  26   0.639 -13.120   3.837
  168   2HB   SER  26          HB3       SER  26   1.391 -11.928   4.661
  169    HG   SER  26           HG       SER  26  -0.937 -13.209   5.373
  170    H    THR  27           H        THR  27  -2.507  -9.820   3.795
  171    HA   THR  27           HA       THR  27  -4.382 -12.088   4.245
  172    HB   THR  27           HB       THR  27  -5.161 -10.921   6.266
  173    HG1  THR  27           HG1      THR  27  -4.465  -9.038   6.768
  174   1HG2  THR  27          1HG2      THR  27  -2.108 -11.123   6.422
  175   2HG2  THR  27          2HG2      THR  27  -3.274 -11.272   7.743
  176   3HG2  THR  27          3HG2      THR  27  -3.195 -12.536   6.492
  177    H    ASP  28           H        ASP  28  -6.680 -11.408   4.013
  178    HA   ASP  28           HA       ASP  28  -6.800 -10.036   1.536
  179   1HB   ASP  28          HB2       ASP  28  -8.357 -11.763   2.236
  180   2HB   ASP  28          HB3       ASP  28  -9.059 -10.746   3.303
  181    H    GLU  29           H        GLU  29  -7.722  -8.901   4.822
  182    HA   GLU  29           HA       GLU  29  -8.698  -6.361   3.865
  183   1HB   GLU  29          HB2       GLU  29  -8.822  -5.812   6.097
  184   2HB   GLU  29          HB3       GLU  29  -9.210  -7.397   6.020
  185   1HG   GLU  29          HG2       GLU  29  -6.721  -6.367   7.012
  186   2HG   GLU  29          HG3       GLU  29  -7.939  -6.926   7.946
  187    H    TYR  30           H        TYR  30  -5.503  -7.608   4.059
  188    HA   TYR  30           HA       TYR  30  -4.401  -4.867   3.631
  189   1HB   TYR  30          HB2       TYR  30  -3.202  -7.287   4.742
  190   2HB   TYR  30          HB3       TYR  30  -2.261  -6.187   3.984
  191    HD1  TYR  30           HD1      TYR  30  -1.585  -4.144   4.963
  192    HD2  TYR  30           HD2      TYR  30  -4.396  -6.751   6.883
  193    HE1  TYR  30           HE1      TYR  30  -1.578  -2.665   6.962
  194    HE2  TYR  30           HE2      TYR  30  -4.342  -5.297   8.919
  195    HH   TYR  30           HH       TYR  30  -2.262  -2.392   9.041
  196    H    CYS  31           H        CYS  31  -5.891  -6.904   1.757
  197    HA   CYS  31           HA       CYS  31  -3.850  -6.634  -0.403
  198   1HB   CYS  31          HB2       CYS  31  -4.018  -8.949   0.581
  199   2HB   CYS  31          HB3       CYS  31  -5.649  -9.048  -0.076
  200    H    SER  32           H        SER  32  -7.355  -7.402   0.172
  201    HA   SER  32           HA       SER  32  -8.194  -6.392  -2.411
  202   1HB   SER  32          HB2       SER  32  -9.626  -7.054   0.077
  203   2HB   SER  32          HB3       SER  32 -10.402  -6.385  -1.195
  204    HG   SER  32           HG       SER  32  -9.392  -8.876  -0.892
  205   1HN   NH2  33          HN1       NH2  33  -7.423  -4.359  -2.832
  206   2HN   NH2  33          HN2       NH2  33  -7.873  -2.947  -1.901
  207    H1   NAG  34           H1       NAG  34  -9.905   9.635   9.238
  208    H2   NAG  34           H2       NAG  34  -9.033   8.343   6.641
  209    H3   NAG  34           H3       NAG  34  -8.505   7.478   9.509
  210    H4   NAG  34           H4       NAG  34  -6.702   8.495   7.243
  211    H5   NAG  34           H5       NAG  34  -7.602   9.629   9.927
  212   1H6   NAG  34          1H6       NAG  34  -6.411  11.714   9.036
  213   2H6   NAG  34          2H6       NAG  34  -5.487  10.627   7.987
  214   1H8   NAG  34          1H8       NAG  34 -13.064   6.609   7.034
  215   2H8   NAG  34          2H8       NAG  34 -12.411   5.181   6.194
  216   3H8   NAG  34          3H8       NAG  34 -12.213   5.327   7.959
  217    HN2  NAG  34           H2N      NAG  34 -11.269   7.585   8.479
  218    HO1  NAG  34           HO1      NAG  34 -11.322   9.885   7.422
  219    HO3  NAG  34           HO3      NAG  34  -7.503   5.794   8.511
  220    HO6  NAG  34           HO6      NAG  34  -4.485   9.843   9.728
  221    H1   NAG  35           H1       NAG  35  -5.530   6.494   7.348
  222    H2   NAG  35           H2       NAG  35  -3.498   6.731   9.571
  223    H3   NAG  35           H3       NAG  35  -3.442   4.842   7.202
  224    H4   NAG  35           H4       NAG  35  -3.885   4.153  10.139
  225    H5   NAG  35           H5       NAG  35  -5.666   4.133   7.658
  226   1H6   NAG  35          1H6       NAG  35  -7.444   3.425   9.284
  227   2H6   NAG  35          2H6       NAG  35  -6.170   3.127  10.478
  228   1H8   NAG  35          1H8       NAG  35  -1.817  10.406   7.197
  229   2H8   NAG  35          2H8       NAG  35  -0.921   8.910   6.838
  230   3H8   NAG  35          3H8       NAG  35  -2.385   9.332   5.892
  231    HN2  NAG  35           H2N      NAG  35  -2.573   6.976   6.789
  232    HO3  NAG  35           HO3      NAG  35  -1.519   5.538   7.718
  233    HO6  NAG  35           HO6      NAG  35  -5.252   1.753   8.698
  234    H1   NAG  36           H1       NAG  36  -3.307   1.710  10.452
  235    H2   NAG  36           H2       NAG  36  -1.932   1.028   7.855
  236    H3   NAG  36           H3       NAG  36  -1.721  -0.312  10.583
  237    H4   NAG  36           H4       NAG  36   0.224   1.259   8.832
  238    H5   NAG  36           H5       NAG  36  -1.099   1.969  11.480
  239   1H6   NAG  36          1H6       NAG  36   1.047   3.261   9.755
  240   2H6   NAG  36          2H6       NAG  36   0.977   3.136  11.515
  241   1H8   NAG  36          1H8       NAG  36  -5.663  -1.381   6.242
  242   2H8   NAG  36          2H8       NAG  36  -5.129  -2.244   7.701
  243   3H8   NAG  36          3H8       NAG  36  -6.111  -0.756   7.843
  244    HN2  NAG  36           H2N      NAG  36  -4.004  -0.729   9.239
  245    HO4  NAG  36           HO4      NAG  36   1.344  -0.395  10.155
  246    HO3  NAG  36           HO3      NAG  36  -0.053  -1.431   9.149
  247    HO6  NAG  36           HO6      NAG  36  -0.897   4.577   9.928
  Start of MODEL   23
    1   1H    GLU   1           H1       GLU   1   2.423   6.193   5.418
    2   2H    GLU   1           H2       GLU   1   3.820   6.142   4.524
    3   3H    GLU   1           H3       GLU   1   3.630   5.127   5.802
    4    HA   GLU   1           HA       GLU   1   2.051   3.817   4.700
    5   1HB   GLU   1          HB2       GLU   1   1.838   6.182   2.999
    6   2HB   GLU   1          HB3       GLU   1   1.539   4.727   2.321
    7   1HG   GLU   1          HG2       GLU   1  -0.467   5.766   3.073
    8   2HG   GLU   1          HG3       GLU   1  -0.215   4.337   3.822
    9    H    GLN   2           H        GLN   2   2.670   2.244   3.021
   10    HA   GLN   2           HA       GLN   2   5.563   2.538   2.304
   11   1HB   GLN   2          HB2       GLN   2   4.668   1.069   4.313
   12   2HB   GLN   2          HB3       GLN   2   4.561  -0.054   3.132
   13   1HG   GLN   2          HG2       GLN   2   7.037   1.300   3.362
   14   2HG   GLN   2          HG3       GLN   2   6.687   0.221   4.537
   15   1HE2  GLN   2          1HE2      GLN   2   6.319  -2.159   3.909
   16   2HE2  GLN   2          2HE2      GLN   2   7.193  -2.610   2.454
   17    H    CYS   3           H        CYS   3   2.432   1.805   1.014
   18    HA   CYS   3           HA       CYS   3   3.670   1.071  -1.546
   19   1HB   CYS   3          HB2       CYS   3   2.616  -1.109  -1.696
   20   2HB   CYS   3          HB3       CYS   3   3.587  -1.047  -0.234
   21    H    GLY   4           H        GLY   4   1.761   0.443  -3.126
   22   1HA   GLY   4          HA1       GLY   4  -0.326   0.803  -4.044
   23   2HA   GLY   4          HA2       GLY   4  -0.908   1.242  -2.430
   24    H    ARG   5           H        ARG   5  -2.201   2.701  -3.897
   25    HA   ARG   5           HA       ARG   5  -1.288   4.795  -5.438
   26   1HB   ARG   5          HB2       ARG   5  -3.565   5.142  -3.598
   27   2HB   ARG   5          HB3       ARG   5  -3.384   5.746  -5.105
   28   1HG   ARG   5          HG2       ARG   5  -4.659   4.124  -5.794
   29   2HG   ARG   5          HG3       ARG   5  -3.405   3.119  -5.503
   30   1HD   ARG   5          HD2       ARG   5  -5.679   3.585  -3.808
   31   2HD   ARG   5          HD3       ARG   5  -5.187   2.156  -4.425
   32    HE   ARG   5           HE       ARG   5  -3.773   3.547  -2.285
   33   1HH1  ARG   5          2HH2      ARG   5  -5.075   0.416  -3.307
   34   2HH1  ARG   5          1HH2      ARG   5  -4.327  -0.350  -1.945
   35   1HH2  ARG   5          2HH1      ARG   5  -2.768   2.459  -0.779
   36   2HH2  ARG   5          1HH1      ARG   5  -3.067   0.766  -0.567
   37    H    GLN   6           H        GLN   6  -1.674   4.871  -1.917
   38    HA   GLN   6           HA       GLN   6  -0.864   7.584  -1.528
   39   1HB   GLN   6          HB2       GLN   6  -0.874   5.288   0.335
   40   2HB   GLN   6          HB3       GLN   6  -0.677   6.846   0.783
   41   1HG   GLN   6          HG2       GLN   6  -2.853   6.594   1.206
   42   2HG   GLN   6          HG3       GLN   6  -2.925   7.158  -0.325
   43   1HE2  GLN   6          1HE2      GLN   6  -5.105   5.782   0.810
   44   2HE2  GLN   6          2HE2      GLN   6  -5.208   4.194   0.047
   45    H    ALA   7           H        ALA   7   1.048   4.805  -2.309
   46    HA   ALA   7           HA       ALA   7   3.469   6.502  -1.970
   47   1HB   ALA   7          HB1       ALA   7   4.786   4.481  -1.673
   48   2HB   ALA   7          HB2       ALA   7   3.504   4.521  -0.444
   49   3HB   ALA   7          HB3       ALA   7   3.340   3.472  -1.871
   50    H    GLY   8           H        GLY   8   1.559   6.615  -4.151
   51   1HA   GLY   8          HA1       GLY   8   1.806   7.016  -6.395
   52   2HA   GLY   8          HA2       GLY   8   3.526   6.660  -6.229
   53    H    GLY   9           H        GLY   9   1.566   4.035  -5.222
   54   1HA   GLY   9          HA1       GLY   9   0.757   2.169  -6.514
   55   2HA   GLY   9          HA2       GLY   9   1.720   2.697  -7.893
   56    H    LYS  10           H        LYS  10   3.710   2.993  -5.131
   57    HA   LYS  10           HA       LYS  10   5.454   0.931  -5.897
   58   1HB   LYS  10          HB2       LYS  10   6.152   2.657  -4.451
   59   2HB   LYS  10          HB3       LYS  10   5.043   2.303  -3.306
   60   1HG   LYS  10          HG2       LYS  10   6.155   0.264  -2.845
   61   2HG   LYS  10          HG3       LYS  10   7.253   0.593  -4.008
   62   1HD   LYS  10          HD2       LYS  10   8.132   2.360  -2.754
   63   2HD   LYS  10          HD3       LYS  10   6.946   2.211  -1.642
   64   1HE   LYS  10          HE2       LYS  10   8.997   0.239  -2.153
   65   2HE   LYS  10          HE3       LYS  10   8.918   1.181  -0.821
   66   1HZ   LYS  10          HZ1       LYS  10   8.020  -0.741  -0.051
   67   2HZ   LYS  10          HZ2       LYS  10   6.745   0.128  -0.396
   68   3HZ   LYS  10          HZ3       LYS  10   7.176  -1.030  -1.476
   69    H    LEU  11           H        LEU  11   5.944  -1.119  -5.124
   70    HA   LEU  11           HA       LEU  11   3.633  -2.645  -4.045
   71   1HB   LEU  11          HB2       LEU  11   6.041  -3.598  -5.474
   72   2HB   LEU  11          HB3       LEU  11   4.732  -4.495  -5.087
   73    HG   LEU  11           HG       LEU  11   4.788  -2.268  -7.058
   74   1HD1  LEU  11          1HD1      LEU  11   5.841  -4.368  -7.826
   75   2HD1  LEU  11          2HD1      LEU  11   4.355  -5.258  -7.424
   76   3HD1  LEU  11          3HD1      LEU  11   4.339  -4.022  -8.700
   77   1HD2  LEU  11          1HD2      LEU  11   2.585  -2.294  -5.986
   78   2HD2  LEU  11          2HD2      LEU  11   2.460  -2.996  -7.596
   79   3HD2  LEU  11          3HD2      LEU  11   2.478  -4.064  -6.177
   80    H    CYS  12           H        CYS  12   4.504  -4.828  -3.006
   81    HA   CYS  12           HA       CYS  12   5.957  -4.004  -0.552
   82   1HB   CYS  12          HB2       CYS  12   3.684  -5.936  -1.149
   83   2HB   CYS  12          HB3       CYS  12   4.507  -5.868   0.399
   84    HA   PRO  13           HA       PRO  13   8.728  -7.352  -1.236
   85   1HB   PRO  13          HB2       PRO  13   9.728  -7.698   1.180
   86   2HB   PRO  13          HB3       PRO  13   9.860  -6.234   0.468
   87   1HG   PRO  13          HG2       PRO  13   7.889  -7.030   2.448
   88   2HG   PRO  13          HG3       PRO  13   8.790  -5.668   2.459
   89   1HD   PRO  13          HD2       PRO  13   6.349  -5.647   1.488
   90   2HD   PRO  13          HD3       PRO  13   7.496  -4.656   0.880
   91    H    ASN  14           H        ASN  14   9.554  -9.439  -0.346
   92    HA   ASN  14           HA       ASN  14   9.456 -11.637   0.061
   93   1HB   ASN  14          HB2       ASN  14   8.998 -10.625   2.292
   94   2HB   ASN  14          HB3       ASN  14   7.423 -11.016   2.104
   95   1HD2  ASN  14          1HD2      ASN  14   6.667 -13.235   2.542
   96   2HD2  ASN  14          2HD2      ASN  14   7.931 -14.396   2.920
   97    H    ASN  15           H        ASN  15   6.076 -10.820   0.513
   98    HA   ASN  15           HA       ASN  15   5.174 -12.409  -1.771
   99   1HB   ASN  15          HB2       ASN  15   4.121 -14.118  -0.562
  100   2HB   ASN  15          HB3       ASN  15   5.636 -14.058   0.045
  101   1HD2  ASN  15          1HD2      ASN  15   2.370 -13.086   0.651
  102   2HD2  ASN  15          2HD2      ASN  15   2.422 -13.299   2.416
  103    H    LEU  16           H        LEU  16   4.742  -9.611  -0.140
  104    HA   LEU  16           HA       LEU  16   2.101 -10.207   0.953
  105   1HB   LEU  16          HB2       LEU  16   3.771  -7.785   1.145
  106   2HB   LEU  16          HB3       LEU  16   2.475  -8.142   2.074
  107    HG   LEU  16           HG       LEU  16   4.989  -9.733   2.126
  108   1HD1  LEU  16          1HD1      LEU  16   5.376  -7.438   2.909
  109   2HD1  LEU  16          2HD1      LEU  16   3.997  -7.577   4.031
  110   3HD1  LEU  16          3HD1      LEU  16   5.439  -8.594   4.252
  111   1HD2  LEU  16          1HD2      LEU  16   2.687  -9.642   4.099
  112   2HD2  LEU  16          2HD2      LEU  16   2.935 -10.920   2.881
  113   3HD2  LEU  16          3HD2      LEU  16   4.124 -10.677   4.166
  114    H    CYS  17           H        CYS  17   0.382  -8.902   0.841
  115    HA   CYS  17           HA       CYS  17  -0.306  -7.578  -1.698
  116   1HB   CYS  17          HB2       CYS  17  -1.865  -8.139   0.860
  117   2HB   CYS  17          HB3       CYS  17  -2.504  -7.420  -0.607
  118    H    CYS  18           H        CYS  18  -1.843  -5.587  -0.983
  119    HA   CYS  18           HA       CYS  18  -0.323  -3.694   0.657
  120   1HB   CYS  18          HB2       CYS  18   0.671  -3.474  -1.589
  121   2HB   CYS  18          HB3       CYS  18  -0.947  -3.271  -2.283
  122    H    SER  19           H        SER  19  -1.744  -2.603   1.808
  123    HA   SER  19           HA       SER  19  -4.483  -3.159   1.785
  124   1HB   SER  19          HB2       SER  19  -4.543  -1.724   3.617
  125   2HB   SER  19          HB3       SER  19  -3.036  -2.353   3.660
  126    HG   SER  19           HG       SER  19  -3.130  -0.169   4.119
  127    H    GLN  20           H        GLN  20  -6.037  -1.253   2.194
  128    HA   GLN  20           HA       GLN  20  -6.544   0.135  -0.327
  129   1HB   GLN  20          HB2       GLN  20  -7.920   0.551   2.252
  130   2HB   GLN  20          HB3       GLN  20  -8.515   0.784   0.749
  131   1HG   GLN  20          HG2       GLN  20  -9.580  -1.093   1.487
  132   2HG   GLN  20          HG3       GLN  20  -8.422  -1.662   0.485
  133   1HE2  GLN  20          1HE2      GLN  20  -8.801  -3.843   1.689
  134   2HE2  GLN  20          2HE2      GLN  20  -7.805  -3.947   3.155
  135    H    TRP  21           H        TRP  21  -5.068   0.799   2.801
  136    HA   TRP  21           HA       TRP  21  -4.947   3.689   2.228
  137   1HB   TRP  21          HB2       TRP  21  -5.201   2.219   4.567
  138   2HB   TRP  21          HB3       TRP  21  -3.835   3.107   4.685
  139    HD1  TRP  21           HD       TRP  21  -7.501   3.402   4.734
  140    HE1  TRP  21           HE1      TRP  21  -8.257   5.880   4.819
  141    HE3  TRP  21           HE3      TRP  21  -2.951   5.654   4.153
  142    HZ2  TRP  21           HZ2      TRP  21  -7.062   8.458   4.309
  143    HZ3  TRP  21           HZ3      TRP  21  -2.784   8.109   3.896
  144    HH2  TRP  21           HH       TRP  21  -4.827   9.528   3.992
  145    H    GLY  22           H        GLY  22  -2.833   0.961   2.005
  146   1HA   GLY  22          HA1       GLY  22  -0.973   1.420   0.398
  147   2HA   GLY  22          HA2       GLY  22  -0.645   2.920   1.273
  148    H    TRP  23           H        TRP  23  -1.341  -0.264   2.799
  149    HA   TRP  23           HA       TRP  23   1.519  -0.242   3.736
  150   1HB   TRP  23          HB2       TRP  23  -0.979  -0.718   5.225
  151   2HB   TRP  23          HB3       TRP  23   0.517  -0.946   5.837
  152    HD1  TRP  23           HD       TRP  23  -1.958   1.735   5.099
  153    HE1  TRP  23           HE1      TRP  23  -1.135   3.945   6.213
  154    HE3  TRP  23           HE3      TRP  23   2.872   0.496   5.900
  155    HZ2  TRP  23           HZ2      TRP  23   1.199   4.879   7.551
  156    HZ3  TRP  23           HZ3      TRP  23   4.413   2.028   7.179
  157    HH2  TRP  23           HH       TRP  23   3.539   4.151   8.106
  158    H    CYS  24           H        CYS  24   2.226  -2.469   4.580
  159    HA   CYS  24           HA       CYS  24   1.403  -4.267   2.331
  160   1HB   CYS  24          HB2       CYS  24   3.922  -4.068   3.996
  161   2HB   CYS  24          HB3       CYS  24   3.623  -5.343   2.803
  162    H    GLY  25           H        GLY  25   0.721  -6.383   2.652
  163   1HA   GLY  25          HA1       GLY  25   0.921  -7.587   5.346
  164   2HA   GLY  25          HA2       GLY  25  -0.708  -7.093   4.850
  165    H    SER  26           H        SER  26   0.161  -9.819   5.419
  166    HA   SER  26           HA       SER  26   0.287 -11.061   2.706
  167   1HB   SER  26          HB2       SER  26   1.770 -11.806   4.582
  168   2HB   SER  26          HB3       SER  26   0.463 -12.496   5.275
  169    HG   SER  26           HG       SER  26   0.068 -13.605   3.375
  170    H    THR  27           H        THR  27  -2.219  -9.870   4.205
  171    HA   THR  27           HA       THR  27  -3.903 -12.296   4.493
  172    HB   THR  27           HB       THR  27  -4.725 -10.948   6.507
  173    HG1  THR  27           HG1      THR  27  -3.809  -9.109   6.898
  174   1HG2  THR  27          1HG2      THR  27  -2.990 -12.775   6.733
  175   2HG2  THR  27          2HG2      THR  27  -1.722 -11.538   6.537
  176   3HG2  THR  27          3HG2      THR  27  -2.817 -11.468   7.927
  177    H    ASP  28           H        ASP  28  -6.256 -11.839   4.489
  178    HA   ASP  28           HA       ASP  28  -6.873 -10.668   2.036
  179   1HB   ASP  28          HB2       ASP  28  -8.233 -12.324   3.138
  180   2HB   ASP  28          HB3       ASP  28  -8.749 -11.237   4.242
  181    H    GLU  29           H        GLU  29  -7.324  -9.167   5.299
  182    HA   GLU  29           HA       GLU  29  -8.597  -6.833   4.217
  183   1HB   GLU  29          HB2       GLU  29  -8.391  -5.985   6.353
  184   2HB   GLU  29          HB3       GLU  29  -8.695  -7.580   6.527
  185   1HG   GLU  29          HG2       GLU  29  -6.136  -6.356   6.967
  186   2HG   GLU  29          HG3       GLU  29  -7.169  -6.797   8.153
  187    H    TYR  30           H        TYR  30  -5.338  -7.807   3.920
  188    HA   TYR  30           HA       TYR  30  -4.567  -5.037   3.096
  189   1HB   TYR  30          HB2       TYR  30  -2.959  -7.356   3.907
  190   2HB   TYR  30          HB3       TYR  30  -2.312  -6.128   3.046
  191    HD1  TYR  30           HD1      TYR  30  -3.975  -6.927   6.191
  192    HD2  TYR  30           HD2      TYR  30  -1.426  -4.209   4.082
  193    HE1  TYR  30           HE1      TYR  30  -3.694  -5.583   8.276
  194    HE2  TYR  30           HE2      TYR  30  -1.059  -2.912   6.191
  195    HH   TYR  30           HH       TYR  30  -1.675  -2.636   8.352
  196    H    CYS  31           H        CYS  31  -5.812  -7.924   1.772
  197    HA   CYS  31           HA       CYS  31  -4.494  -7.456  -0.861
  198   1HB   CYS  31          HB2       CYS  31  -6.205  -9.738   0.168
  199   2HB   CYS  31          HB3       CYS  31  -5.426  -9.653  -1.396
  200    H    SER  32           H        SER  32  -7.770  -8.012   0.561
  201    HA   SER  32           HA       SER  32  -9.194  -7.209  -1.799
  202   1HB   SER  32          HB2       SER  32  -9.940  -7.466   1.039
  203   2HB   SER  32          HB3       SER  32 -11.005  -6.913  -0.068
  204    HG   SER  32           HG       SER  32  -9.982  -9.425   0.256
  205   1HN   NH2  33          HN1       NH2  33  -8.259  -5.323  -2.613
  206   2HN   NH2  33          HN2       NH2  33  -8.489  -3.769  -1.841
  207    H1   NAG  34           H1       NAG  34  -9.493   9.685   8.748
  208    H2   NAG  34           H2       NAG  34  -8.544   8.425   6.165
  209    H3   NAG  34           H3       NAG  34  -8.206   7.450   9.026
  210    H4   NAG  34           H4       NAG  34  -6.256   8.450   6.878
  211    H5   NAG  34           H5       NAG  34  -7.221   9.533   9.556
  212   1H6   NAG  34          1H6       NAG  34  -5.882  11.579   8.799
  213   2H6   NAG  34          2H6       NAG  34  -4.973  10.485   7.746
  214   1H8   NAG  34          1H8       NAG  34 -12.037   5.480   5.403
  215   2H8   NAG  34          2H8       NAG  34 -11.916   5.509   7.180
  216   3H8   NAG  34          3H8       NAG  34 -12.671   6.882   6.302
  217    HN2  NAG  34           H2N      NAG  34 -10.905   7.712   7.862
  218    HO1  NAG  34           HO1      NAG  34  -9.467  10.473   5.978
  219    HO3  NAG  34           HO3      NAG  34  -7.219   5.750   8.017
  220    HO6  NAG  34           HO6      NAG  34  -4.064   9.611   9.486
  221    H1   NAG  35           H1       NAG  35  -5.195   6.395   6.934
  222    H2   NAG  35           H2       NAG  35  -3.221   6.487   9.214
  223    H3   NAG  35           H3       NAG  35  -3.154   4.698   6.769
  224    H4   NAG  35           H4       NAG  35  -3.697   3.927   9.679
  225    H5   NAG  35           H5       NAG  35  -5.395   4.005   7.147
  226   1H6   NAG  35          1H6       NAG  35  -7.237   3.292   8.696
  227   2H6   NAG  35          2H6       NAG  35  -6.009   2.936   9.922
  228   1H8   NAG  35          1H8       NAG  35  -0.567   8.529   6.456
  229   2H8   NAG  35          2H8       NAG  35  -1.979   9.380   5.757
  230   3H8   NAG  35          3H8       NAG  35  -1.110  10.079   7.146
  231    HN2  NAG  35           H2N      NAG  35  -2.222   6.825   6.454
  232    HO3  NAG  35           HO3      NAG  35  -1.243   5.408   7.413
  233    HO6  NAG  35           HO6      NAG  35  -5.064   1.589   8.134
  234    H1   NAG  36           H1       NAG  36  -3.176   1.458   9.985
  235    H2   NAG  36           H2       NAG  36  -1.682   0.817   7.458
  236    H3   NAG  36           H3       NAG  36  -1.494  -0.608  10.127
  237    H4   NAG  36           H4       NAG  36   0.510   1.098   8.594
  238    H5   NAG  36           H5       NAG  36  -1.068   1.719  11.143
  239   1H6   NAG  36          1H6       NAG  36   1.191   3.105   9.653
  240   2H6   NAG  36          2H6       NAG  36   0.941   2.948  11.396
  241   1H8   NAG  36          1H8       NAG  36  -4.671  -2.575   6.940
  242   2H8   NAG  36          2H8       NAG  36  -5.733  -1.276   7.558
  243   3H8   NAG  36          3H8       NAG  36  -5.489  -1.468   5.814
  244    HN2  NAG  36           H2N      NAG  36  -3.634  -1.105   8.749
  245    HO4  NAG  36           HO4      NAG  36   1.473  -0.588   9.972
  246    HO3  NAG  36           HO3      NAG  36   0.403  -1.401   8.759
  247    HO6  NAG  36           HO6      NAG  36  -0.798   4.361   9.646
  Start of MODEL   24
    1   1H    GLU   1           H1       GLU   1   0.886   6.546   4.427
    2   2H    GLU   1           H2       GLU   1   2.401   6.792   3.781
    3   3H    GLU   1           H3       GLU   1   2.214   5.786   5.065
    4    HA   GLU   1           HA       GLU   1   0.986   4.216   3.788
    5   1HB   GLU   1          HB2       GLU   1   1.050   6.359   1.812
    6   2HB   GLU   1          HB3       GLU   1   1.089   4.819   1.269
    7   1HG   GLU   1          HG2       GLU   1  -1.130   5.331   1.311
    8   2HG   GLU   1          HG3       GLU   1  -0.903   4.434   2.656
    9    H    GLN   2           H        GLN   2   2.007   2.700   2.304
   10    HA   GLN   2           HA       GLN   2   5.000   2.925   2.260
   11   1HB   GLN   2          HB2       GLN   2   4.235   1.622   4.076
   12   2HB   GLN   2          HB3       GLN   2   3.180   0.782   3.155
   13   1HG   GLN   2          HG2       GLN   2   5.081  -0.267   2.081
   14   2HG   GLN   2          HG3       GLN   2   6.033   0.449   3.199
   15   1HE2  GLN   2          1HE2      GLN   2   6.729  -1.792   3.894
   16   2HE2  GLN   2          2HE2      GLN   2   5.575  -2.673   4.903
   17    H    CYS   3           H        CYS   3   2.066   1.728   0.656
   18    HA   CYS   3           HA       CYS   3   3.630   1.115  -1.779
   19   1HB   CYS   3          HB2       CYS   3   2.569  -1.107  -1.938
   20   2HB   CYS   3          HB3       CYS   3   3.561  -0.952  -0.493
   21    H    GLY   4           H        GLY   4   2.031   0.526  -3.595
   22   1HA   GLY   4          HA1       GLY   4   0.204   1.071  -4.897
   23   2HA   GLY   4          HA2       GLY   4  -0.721   1.136  -3.391
   24    H    ARG   5           H        ARG   5  -1.978   2.786  -4.052
   25    HA   ARG   5           HA       ARG   5  -1.562   4.967  -5.616
   26   1HB   ARG   5          HB2       ARG   5  -3.311   4.763  -3.242
   27   2HB   ARG   5          HB3       ARG   5  -3.461   5.908  -4.397
   28   1HG   ARG   5          HG2       ARG   5  -3.920   4.123  -5.985
   29   2HG   ARG   5          HG3       ARG   5  -3.976   3.092  -4.720
   30   1HD   ARG   5          HD2       ARG   5  -5.792   5.264  -5.268
   31   2HD   ARG   5          HD3       ARG   5  -6.180   3.691  -5.057
   32    HE   ARG   5           HE       ARG   5  -5.411   5.522  -2.917
   33   1HH1  ARG   5          2HH2      ARG   5  -6.870   2.374  -3.625
   34   2HH1  ARG   5          1HH2      ARG   5  -7.128   2.095  -1.935
   35   1HH2  ARG   5          2HH1      ARG   5  -5.774   5.058  -0.888
   36   2HH2  ARG   5          1HH1      ARG   5  -6.526   3.565  -0.437
   37    H    GLN   6           H        GLN   6  -1.893   5.729  -2.110
   38    HA   GLN   6           HA       GLN   6  -0.709   8.283  -2.726
   39   1HB   GLN   6          HB2       GLN   6  -1.333   7.275  -0.037
   40   2HB   GLN   6          HB3       GLN   6  -1.116   8.832  -0.479
   41   1HG   GLN   6          HG2       GLN   6  -3.339   8.805  -0.439
   42   2HG   GLN   6          HG3       GLN   6  -3.122   8.325  -1.985
   43   1HE2  GLN   6          1HE2      GLN   6  -3.008   6.718   1.201
   44   2HE2  GLN   6          2HE2      GLN   6  -3.816   5.297   0.655
   45    H    ALA   7           H        ALA   7   0.895   5.348  -1.985
   46    HA   ALA   7           HA       ALA   7   3.314   6.727  -0.993
   47   1HB   ALA   7          HB1       ALA   7   2.790   4.379  -0.339
   48   2HB   ALA   7          HB2       ALA   7   2.911   3.900  -2.046
   49   3HB   ALA   7          HB3       ALA   7   4.339   4.515  -1.190
   50    H    GLY   8           H        GLY   8   1.707   6.429  -4.028
   51   1HA   GLY   8          HA1       GLY   8   2.393   7.055  -6.129
   52   2HA   GLY   8          HA2       GLY   8   3.991   7.457  -5.494
   53    H    GLY   9           H        GLY   9   2.148   4.402  -5.465
   54   1HA   GLY   9          HA1       GLY   9   2.223   2.677  -7.027
   55   2HA   GLY   9          HA2       GLY   9   3.598   3.440  -7.816
   56    H    LYS  10           H        LYS  10   4.065   2.842  -4.413
   57    HA   LYS  10           HA       LYS  10   6.224   0.988  -5.169
   58   1HB   LYS  10          HB2       LYS  10   5.436   2.214  -2.610
   59   2HB   LYS  10          HB3       LYS  10   6.549   1.019  -2.655
   60   1HG   LYS  10          HG2       LYS  10   7.616   3.146  -2.661
   61   2HG   LYS  10          HG3       LYS  10   7.937   2.348  -4.049
   62   1HD   LYS  10          HD2       LYS  10   6.476   3.652  -5.247
   63   2HD   LYS  10          HD3       LYS  10   5.795   4.253  -3.889
   64   1HE   LYS  10          HE2       LYS  10   7.905   5.395  -3.456
   65   2HE   LYS  10          HE3       LYS  10   8.375   4.951  -4.955
   66   1HZ   LYS  10          HZ1       LYS  10   6.383   6.045  -5.806
   67   2HZ   LYS  10          HZ2       LYS  10   6.131   6.604  -4.295
   68   3HZ   LYS  10          HZ3       LYS  10   7.475   7.104  -5.124
   69    H    LEU  11           H        LEU  11   6.598  -1.040  -3.987
   70    HA   LEU  11           HA       LEU  11   4.074  -2.645  -3.885
   71   1HB   LEU  11          HB2       LEU  11   6.725  -3.438  -4.946
   72   2HB   LEU  11          HB3       LEU  11   5.384  -4.369  -4.933
   73    HG   LEU  11           HG       LEU  11   5.723  -1.888  -6.541
   74   1HD1  LEU  11          1HD1      LEU  11   5.735  -3.400  -8.464
   75   2HD1  LEU  11          2HD1      LEU  11   7.058  -3.798  -7.356
   76   3HD1  LEU  11          3HD1      LEU  11   5.596  -4.808  -7.390
   77   1HD2  LEU  11          1HD2      LEU  11   3.427  -3.902  -6.443
   78   2HD2  LEU  11          2HD2      LEU  11   3.351  -2.193  -5.949
   79   3HD2  LEU  11          3HD2      LEU  11   3.610  -2.605  -7.643
   80    H    CYS  12           H        CYS  12   4.748  -4.968  -2.924
   81    HA   CYS  12           HA       CYS  12   5.884  -4.384  -0.239
   82   1HB   CYS  12          HB2       CYS  12   3.598  -6.135  -1.228
   83   2HB   CYS  12          HB3       CYS  12   4.173  -6.120   0.431
   84    HA   PRO  13           HA       PRO  13   8.832  -7.359  -0.884
   85   1HB   PRO  13          HB2       PRO  13   9.298  -8.404   1.535
   86   2HB   PRO  13          HB3       PRO  13   9.607  -6.833   1.210
   87   1HG   PRO  13          HG2       PRO  13   7.270  -7.909   2.549
   88   2HG   PRO  13          HG3       PRO  13   8.151  -6.610   3.003
   89   1HD   PRO  13          HD2       PRO  13   5.949  -6.267   1.648
   90   2HD   PRO  13          HD3       PRO  13   7.216  -5.267   1.402
   91    H    ASN  14           H        ASN  14   9.544  -9.438  -1.066
   92    HA   ASN  14           HA       ASN  14   9.480 -11.548  -1.806
   93   1HB   ASN  14          HB2       ASN  14   9.293 -11.732   0.709
   94   2HB   ASN  14          HB3       ASN  14   7.751 -12.216   0.475
   95   1HD2  ASN  14          1HD2      ASN  14   7.269 -14.420  -0.266
   96   2HD2  ASN  14          2HD2      ASN  14   8.668 -15.445  -0.575
   97    H    ASN  15           H        ASN  15   6.189 -11.195  -0.622
   98    HA   ASN  15           HA       ASN  15   4.961 -11.483  -3.236
   99   1HB   ASN  15          HB2       ASN  15   3.955 -13.616  -2.849
  100   2HB   ASN  15          HB3       ASN  15   5.574 -13.794  -2.734
  101   1HD2  ASN  15          1HD2      ASN  15   2.707 -13.364  -0.804
  102   2HD2  ASN  15          2HD2      ASN  15   3.296 -14.368   0.548
  103    H    LEU  16           H        LEU  16   4.851  -9.782  -0.565
  104    HA   LEU  16           HA       LEU  16   2.255 -10.538   0.521
  105   1HB   LEU  16          HB2       LEU  16   4.168  -8.363   1.093
  106   2HB   LEU  16          HB3       LEU  16   2.740  -8.498   1.875
  107    HG   LEU  16           HG       LEU  16   5.086 -10.291   2.070
  108   1HD1  LEU  16          1HD1      LEU  16   4.885  -8.284   3.571
  109   2HD1  LEU  16          2HD1      LEU  16   3.340  -8.931   4.175
  110   3HD1  LEU  16          3HD1      LEU  16   4.850  -9.820   4.458
  111   1HD2  LEU  16          1HD2      LEU  16   2.221 -10.836   2.910
  112   2HD2  LEU  16          2HD2      LEU  16   3.272 -11.864   1.906
  113   3HD2  LEU  16          3HD2      LEU  16   3.616 -11.677   3.626
  114    H    CYS  17           H        CYS  17   0.667  -8.902   1.018
  115    HA   CYS  17           HA       CYS  17  -0.399  -7.787  -1.493
  116   1HB   CYS  17          HB2       CYS  17  -1.542  -8.119   1.312
  117   2HB   CYS  17          HB3       CYS  17  -2.439  -7.564  -0.090
  118    H    CYS  18           H        CYS  18  -1.654  -5.710  -1.169
  119    HA   CYS  18           HA       CYS  18  -0.332  -3.715   0.563
  120   1HB   CYS  18          HB2       CYS  18   0.639  -3.501  -1.736
  121   2HB   CYS  18          HB3       CYS  18  -0.997  -3.340  -2.383
  122    H    SER  19           H        SER  19  -1.825  -2.417   1.498
  123    HA   SER  19           HA       SER  19  -4.445  -3.457   1.599
  124   1HB   SER  19          HB2       SER  19  -4.707  -1.978   3.370
  125   2HB   SER  19          HB3       SER  19  -3.110  -2.321   3.399
  126    HG   SER  19           HG       SER  19  -3.572  -0.142   3.728
  127    H    GLN  20           H        GLN  20  -6.343  -1.950   1.849
  128    HA   GLN  20           HA       GLN  20  -7.039  -0.731  -0.688
  129   1HB   GLN  20          HB2       GLN  20  -8.484  -0.299   1.840
  130   2HB   GLN  20          HB3       GLN  20  -9.083  -0.325   0.320
  131   1HG   GLN  20          HG2       GLN  20  -9.876  -2.250   1.201
  132   2HG   GLN  20          HG3       GLN  20  -8.569  -2.755   0.362
  133   1HE2  GLN  20          1HE2      GLN  20  -9.129  -4.692   2.062
  134   2HE2  GLN  20          2HE2      GLN  20  -8.108  -4.479   3.510
  135    H    TRP  21           H        TRP  21  -5.344   0.338   2.154
  136    HA   TRP  21           HA       TRP  21  -5.757   3.183   1.386
  137   1HB   TRP  21          HB2       TRP  21  -5.864   1.930   3.896
  138   2HB   TRP  21          HB3       TRP  21  -4.725   3.100   3.902
  139    HD1  TRP  21           HD       TRP  21  -8.336   2.669   4.209
  140    HE1  TRP  21           HE1      TRP  21  -9.600   4.922   3.945
  141    HE3  TRP  21           HE3      TRP  21  -4.444   5.662   2.819
  142    HZ2  TRP  21           HZ2      TRP  21  -9.056   7.516   2.838
  143    HZ3  TRP  21           HZ3      TRP  21  -4.831   8.009   2.140
  144    HH2  TRP  21           HH       TRP  21  -7.117   8.925   2.042
  145    H    GLY  22           H        GLY  22  -3.292   0.740   1.387
  146   1HA   GLY  22          HA1       GLY  22  -1.437   1.622  -0.162
  147   2HA   GLY  22          HA2       GLY  22  -1.304   2.978   0.934
  148    H    TRP  23           H        TRP  23  -1.769  -0.239   2.373
  149    HA   TRP  23           HA       TRP  23   1.111  -0.027   3.231
  150   1HB   TRP  23          HB2       TRP  23  -1.334  -0.374   4.820
  151   2HB   TRP  23          HB3       TRP  23   0.179  -0.508   5.419
  152    HD1  TRP  23           HD       TRP  23  -2.359   2.047   4.430
  153    HE1  TRP  23           HE1      TRP  23  -1.699   4.218   5.687
  154    HE3  TRP  23           HE3      TRP  23   2.445   0.937   5.533
  155    HZ2  TRP  23           HZ2      TRP  23   0.566   5.312   6.980
  156    HZ3  TRP  23           HZ3      TRP  23   3.917   2.591   6.745
  157    HH2  TRP  23           HH       TRP  23   2.962   4.749   7.526
  158    H    CYS  24           H        CYS  24   2.206  -1.978   3.861
  159    HA   CYS  24           HA       CYS  24   1.215  -4.088   2.132
  160   1HB   CYS  24          HB2       CYS  24   3.707  -3.824   3.825
  161   2HB   CYS  24          HB3       CYS  24   3.382  -5.197   2.758
  162    H    GLY  25           H        GLY  25   0.856  -6.328   2.649
  163   1HA   GLY  25          HA1       GLY  25   0.741  -7.142   5.476
  164   2HA   GLY  25          HA2       GLY  25  -0.835  -6.838   4.736
  165    H    SER  26           H        SER  26  -0.377  -9.297   5.750
  166    HA   SER  26           HA       SER  26  -0.015 -11.047   3.339
  167   1HB   SER  26          HB2       SER  26   1.174 -12.535   4.654
  168   2HB   SER  26          HB3       SER  26   1.791 -11.101   5.136
  169    HG   SER  26           HG       SER  26  -0.158 -12.560   6.419
  170    H    THR  27           H        THR  27  -2.497  -9.857   4.415
  171    HA   THR  27           HA       THR  27  -3.903 -12.180   5.628
  172    HB   THR  27           HB       THR  27  -4.610 -10.603   7.433
  173    HG1  THR  27           HG1      THR  27  -3.980  -8.630   7.414
  174   1HG2  THR  27          1HG2      THR  27  -2.539 -12.073   7.730
  175   2HG2  THR  27          2HG2      THR  27  -1.558 -10.660   7.265
  176   3HG2  THR  27          3HG2      THR  27  -2.570 -10.591   8.712
  177    H    ASP  28           H        ASP  28  -6.236 -11.901   5.654
  178    HA   ASP  28           HA       ASP  28  -7.236 -11.188   3.157
  179   1HB   ASP  28          HB2       ASP  28  -8.370 -12.605   4.750
  180   2HB   ASP  28          HB3       ASP  28  -8.706 -11.337   5.723
  181    H    GLU  29           H        GLU  29  -7.555  -9.255   6.186
  182    HA   GLU  29           HA       GLU  29  -8.857  -7.083   4.847
  183   1HB   GLU  29          HB2       GLU  29  -8.775  -6.054   6.903
  184   2HB   GLU  29          HB3       GLU  29  -9.008  -7.641   7.210
  185   1HG   GLU  29          HG2       GLU  29  -6.572  -6.194   7.670
  186   2HG   GLU  29          HG3       GLU  29  -7.592  -6.731   8.827
  187    H    TYR  30           H        TYR  30  -5.583  -7.956   4.586
  188    HA   TYR  30           HA       TYR  30  -4.997  -5.196   3.560
  189   1HB   TYR  30          HB2       TYR  30  -3.209  -7.227   4.684
  190   2HB   TYR  30          HB3       TYR  30  -2.644  -6.101   3.645
  191    HD1  TYR  30           HD1      TYR  30  -4.452  -6.435   6.807
  192    HD2  TYR  30           HD2      TYR  30  -1.769  -4.058   4.449
  193    HE1  TYR  30           HE1      TYR  30  -4.460  -4.671   8.577
  194    HE2  TYR  30           HE2      TYR  30  -1.736  -2.320   6.239
  195    HH   TYR  30           HH       TYR  30  -2.561  -1.679   8.242
  196    H    CYS  31           H        CYS  31  -5.787  -8.399   2.577
  197    HA   CYS  31           HA       CYS  31  -4.483  -8.003  -0.079
  198   1HB   CYS  31          HB2       CYS  31  -5.803 -10.359   1.297
  199   2HB   CYS  31          HB3       CYS  31  -5.166 -10.394  -0.340
  200    H    SER  32           H        SER  32  -7.659  -8.092   1.449
  201    HA   SER  32           HA       SER  32  -9.036  -8.247  -1.159
  202   1HB   SER  32          HB2       SER  32  -9.940  -8.393   1.646
  203   2HB   SER  32          HB3       SER  32 -10.983  -8.355   0.390
  204    HG   SER  32           HG       SER  32  -9.836 -10.437   1.328
  205   1HN   NH2  33          HN1       NH2  33  -9.118  -6.395  -2.272
  206   2HN   NH2  33          HN2       NH2  33  -9.612  -4.850  -1.614
  207    H1   NAG  34           H1       NAG  34  -9.901   9.904   7.699
  208    H2   NAG  34           H2       NAG  34  -9.759   8.461   5.051
  209    H3   NAG  34           H3       NAG  34  -8.359   7.920   7.710
  210    H4   NAG  34           H4       NAG  34  -7.314   8.710   4.950
  211    H5   NAG  34           H5       NAG  34  -7.510  10.349   7.515
  212   1H6   NAG  34          1H6       NAG  34  -6.598  11.020   4.674
  213   2H6   NAG  34          2H6       NAG  34  -5.613  11.103   6.156
  214   1H8   NAG  34          1H8       NAG  34 -12.684   4.897   5.825
  215   2H8   NAG  34          2H8       NAG  34 -12.373   5.480   7.479
  216   3H8   NAG  34          3H8       NAG  34 -13.355   6.464   6.344
  217    HN2  NAG  34           H2N      NAG  34 -11.506   7.862   7.316
  218    HO1  NAG  34           HO1      NAG  34 -11.891   9.807   6.528
  219    HO3  NAG  34           HO3      NAG  34  -8.975   6.363   5.541
  220    HO6  NAG  34           HO6      NAG  34  -8.049  12.463   5.837
  221    H1   NAG  35           H1       NAG  35  -5.850   6.903   5.219
  222    H2   NAG  35           H2       NAG  35  -3.572   7.686   7.054
  223    H3   NAG  35           H3       NAG  35  -3.616   5.380   5.082
  224    H4   NAG  35           H4       NAG  35  -3.704   5.292   8.135
  225    H5   NAG  35           H5       NAG  35  -5.787   4.731   5.986
  226   1H6   NAG  35          1H6       NAG  35  -6.142   4.528   8.998
  227   2H6   NAG  35          2H6       NAG  35  -6.062   3.139   7.890
  228   1H8   NAG  35          1H8       NAG  35  -2.219  10.957   4.029
  229   2H8   NAG  35          2H8       NAG  35  -1.546   9.376   3.535
  230   3H8   NAG  35          3H8       NAG  35  -3.188   9.846   3.016
  231    HN2  NAG  35           H2N      NAG  35  -3.152   7.596   4.059
  232    HO3  NAG  35           HO3      NAG  35  -1.635   6.430   5.484
  233    HO6  NAG  35           HO6      NAG  35  -7.824   5.228   7.285
  234    H1   NAG  36           H1       NAG  36  -3.762   2.910   8.957
  235    H2   NAG  36           H2       NAG  36  -2.155   1.446   6.872
  236    H3   NAG  36           H3       NAG  36  -2.250   0.581   9.736
  237    H4   NAG  36           H4       NAG  36  -0.009   1.894   8.114
  238    H5   NAG  36           H5       NAG  36  -1.832   2.851  10.363
  239   1H6   NAG  36          1H6       NAG  36  -0.330   5.028   9.662
  240   2H6   NAG  36          2H6       NAG  36   0.906   3.768   9.610
  241   1H8   NAG  36          1H8       NAG  36  -6.446  -0.090   6.962
  242   2H8   NAG  36          2H8       NAG  36  -5.922  -0.986   5.517
  243   3H8   NAG  36          3H8       NAG  36  -5.448  -1.567   7.126
  244    HN2  NAG  36           H2N      NAG  36  -4.440   0.257   8.426
  245    HO4  NAG  36           HO4      NAG  36   0.788   0.346   9.721
  246    HO3  NAG  36           HO3      NAG  36  -0.438  -0.634   8.544
  247    HO6  NAG  36           HO6      NAG  36   0.238   3.229  11.794
  Start of MODEL   25
    1   1H    GLU   1           H1       GLU   1   0.886   6.546   4.427
    2   2H    GLU   1           H2       GLU   1   2.401   6.792   3.781
    3   3H    GLU   1           H3       GLU   1   2.214   5.786   5.065
    4    HA   GLU   1           HA       GLU   1   0.986   4.216   3.788
    5   1HB   GLU   1          HB2       GLU   1   1.050   6.359   1.812
    6   2HB   GLU   1          HB3       GLU   1   1.089   4.819   1.269
    7   1HG   GLU   1          HG2       GLU   1  -1.130   5.331   1.311
    8   2HG   GLU   1          HG3       GLU   1  -0.903   4.434   2.656
    9    H    GLN   2           H        GLN   2   2.007   2.700   2.304
   10    HA   GLN   2           HA       GLN   2   5.000   2.925   2.260
   11   1HB   GLN   2          HB2       GLN   2   4.235   1.622   4.076
   12   2HB   GLN   2          HB3       GLN   2   3.180   0.782   3.155
   13   1HG   GLN   2          HG2       GLN   2   5.081  -0.267   2.081
   14   2HG   GLN   2          HG3       GLN   2   6.033   0.449   3.199
   15   1HE2  GLN   2          1HE2      GLN   2   6.729  -1.792   3.894
   16   2HE2  GLN   2          2HE2      GLN   2   5.575  -2.673   4.903
   17    H    CYS   3           H        CYS   3   2.066   1.728   0.656
   18    HA   CYS   3           HA       CYS   3   3.630   1.115  -1.779
   19   1HB   CYS   3          HB2       CYS   3   2.569  -1.107  -1.938
   20   2HB   CYS   3          HB3       CYS   3   3.561  -0.952  -0.493
   21    H    GLY   4           H        GLY   4   2.031   0.526  -3.595
   22   1HA   GLY   4          HA1       GLY   4   0.204   1.071  -4.897
   23   2HA   GLY   4          HA2       GLY   4  -0.721   1.136  -3.391
   24    H    ARG   5           H        ARG   5  -1.978   2.786  -4.052
   25    HA   ARG   5           HA       ARG   5  -1.562   4.967  -5.616
   26   1HB   ARG   5          HB2       ARG   5  -3.311   4.763  -3.242
   27   2HB   ARG   5          HB3       ARG   5  -3.461   5.908  -4.397
   28   1HG   ARG   5          HG2       ARG   5  -3.920   4.123  -5.985
   29   2HG   ARG   5          HG3       ARG   5  -3.976   3.092  -4.720
   30   1HD   ARG   5          HD2       ARG   5  -5.792   5.264  -5.268
   31   2HD   ARG   5          HD3       ARG   5  -6.180   3.691  -5.057
   32    HE   ARG   5           HE       ARG   5  -5.411   5.522  -2.917
   33   1HH1  ARG   5          2HH2      ARG   5  -6.870   2.374  -3.625
   34   2HH1  ARG   5          1HH2      ARG   5  -7.128   2.095  -1.935
   35   1HH2  ARG   5          2HH1      ARG   5  -5.774   5.058  -0.888
   36   2HH2  ARG   5          1HH1      ARG   5  -6.526   3.565  -0.437
   37    H    GLN   6           H        GLN   6  -1.893   5.729  -2.110
   38    HA   GLN   6           HA       GLN   6  -0.709   8.283  -2.726
   39   1HB   GLN   6          HB2       GLN   6  -1.333   7.275  -0.037
   40   2HB   GLN   6          HB3       GLN   6  -1.116   8.832  -0.479
   41   1HG   GLN   6          HG2       GLN   6  -3.339   8.805  -0.439
   42   2HG   GLN   6          HG3       GLN   6  -3.122   8.325  -1.985
   43   1HE2  GLN   6          1HE2      GLN   6  -3.008   6.718   1.201
   44   2HE2  GLN   6          2HE2      GLN   6  -3.816   5.297   0.655
   45    H    ALA   7           H        ALA   7   0.895   5.348  -1.985
   46    HA   ALA   7           HA       ALA   7   3.314   6.727  -0.993
   47   1HB   ALA   7          HB1       ALA   7   2.790   4.379  -0.339
   48   2HB   ALA   7          HB2       ALA   7   2.911   3.900  -2.046
   49   3HB   ALA   7          HB3       ALA   7   4.339   4.515  -1.190
   50    H    GLY   8           H        GLY   8   1.707   6.429  -4.028
   51   1HA   GLY   8          HA1       GLY   8   2.393   7.055  -6.129
   52   2HA   GLY   8          HA2       GLY   8   3.991   7.457  -5.494
   53    H    GLY   9           H        GLY   9   2.148   4.402  -5.465
   54   1HA   GLY   9          HA1       GLY   9   2.223   2.677  -7.027
   55   2HA   GLY   9          HA2       GLY   9   3.598   3.440  -7.816
   56    H    LYS  10           H        LYS  10   4.065   2.842  -4.413
   57    HA   LYS  10           HA       LYS  10   6.224   0.988  -5.169
   58   1HB   LYS  10          HB2       LYS  10   5.436   2.214  -2.610
   59   2HB   LYS  10          HB3       LYS  10   6.549   1.019  -2.655
   60   1HG   LYS  10          HG2       LYS  10   7.616   3.146  -2.661
   61   2HG   LYS  10          HG3       LYS  10   7.937   2.348  -4.049
   62   1HD   LYS  10          HD2       LYS  10   6.476   3.652  -5.247
   63   2HD   LYS  10          HD3       LYS  10   5.795   4.253  -3.889
   64   1HE   LYS  10          HE2       LYS  10   7.905   5.395  -3.456
   65   2HE   LYS  10          HE3       LYS  10   8.375   4.951  -4.955
   66   1HZ   LYS  10          HZ1       LYS  10   6.383   6.045  -5.806
   67   2HZ   LYS  10          HZ2       LYS  10   6.131   6.604  -4.295
   68   3HZ   LYS  10          HZ3       LYS  10   7.475   7.104  -5.124
   69    H    LEU  11           H        LEU  11   6.598  -1.040  -3.987
   70    HA   LEU  11           HA       LEU  11   4.074  -2.645  -3.885
   71   1HB   LEU  11          HB2       LEU  11   6.725  -3.438  -4.946
   72   2HB   LEU  11          HB3       LEU  11   5.384  -4.369  -4.933
   73    HG   LEU  11           HG       LEU  11   5.723  -1.888  -6.541
   74   1HD1  LEU  11          1HD1      LEU  11   5.735  -3.400  -8.464
   75   2HD1  LEU  11          2HD1      LEU  11   7.058  -3.798  -7.356
   76   3HD1  LEU  11          3HD1      LEU  11   5.596  -4.808  -7.390
   77   1HD2  LEU  11          1HD2      LEU  11   3.427  -3.902  -6.443
   78   2HD2  LEU  11          2HD2      LEU  11   3.351  -2.193  -5.949
   79   3HD2  LEU  11          3HD2      LEU  11   3.610  -2.605  -7.643
   80    H    CYS  12           H        CYS  12   4.748  -4.968  -2.924
   81    HA   CYS  12           HA       CYS  12   5.884  -4.384  -0.239
   82   1HB   CYS  12          HB2       CYS  12   3.598  -6.135  -1.228
   83   2HB   CYS  12          HB3       CYS  12   4.173  -6.120   0.431
   84    HA   PRO  13           HA       PRO  13   8.832  -7.359  -0.884
   85   1HB   PRO  13          HB2       PRO  13   9.298  -8.404   1.535
   86   2HB   PRO  13          HB3       PRO  13   9.607  -6.833   1.210
   87   1HG   PRO  13          HG2       PRO  13   7.270  -7.909   2.549
   88   2HG   PRO  13          HG3       PRO  13   8.151  -6.610   3.003
   89   1HD   PRO  13          HD2       PRO  13   5.949  -6.267   1.648
   90   2HD   PRO  13          HD3       PRO  13   7.216  -5.267   1.402
   91    H    ASN  14           H        ASN  14   9.544  -9.438  -1.066
   92    HA   ASN  14           HA       ASN  14   9.480 -11.548  -1.806
   93   1HB   ASN  14          HB2       ASN  14   9.293 -11.732   0.709
   94   2HB   ASN  14          HB3       ASN  14   7.751 -12.216   0.475
   95   1HD2  ASN  14          1HD2      ASN  14   7.269 -14.420  -0.266
   96   2HD2  ASN  14          2HD2      ASN  14   8.668 -15.445  -0.575
   97    H    ASN  15           H        ASN  15   6.189 -11.195  -0.622
   98    HA   ASN  15           HA       ASN  15   4.961 -11.483  -3.236
   99   1HB   ASN  15          HB2       ASN  15   3.955 -13.616  -2.849
  100   2HB   ASN  15          HB3       ASN  15   5.574 -13.794  -2.734
  101   1HD2  ASN  15          1HD2      ASN  15   2.707 -13.364  -0.804
  102   2HD2  ASN  15          2HD2      ASN  15   3.296 -14.368   0.548
  103    H    LEU  16           H        LEU  16   4.851  -9.782  -0.565
  104    HA   LEU  16           HA       LEU  16   2.255 -10.538   0.521
  105   1HB   LEU  16          HB2       LEU  16   4.168  -8.363   1.093
  106   2HB   LEU  16          HB3       LEU  16   2.740  -8.498   1.875
  107    HG   LEU  16           HG       LEU  16   5.086 -10.291   2.070
  108   1HD1  LEU  16          1HD1      LEU  16   4.885  -8.284   3.571
  109   2HD1  LEU  16          2HD1      LEU  16   3.340  -8.931   4.175
  110   3HD1  LEU  16          3HD1      LEU  16   4.850  -9.820   4.458
  111   1HD2  LEU  16          1HD2      LEU  16   2.221 -10.836   2.910
  112   2HD2  LEU  16          2HD2      LEU  16   3.272 -11.864   1.906
  113   3HD2  LEU  16          3HD2      LEU  16   3.616 -11.677   3.626
  114    H    CYS  17           H        CYS  17   0.667  -8.902   1.018
  115    HA   CYS  17           HA       CYS  17  -0.399  -7.787  -1.493
  116   1HB   CYS  17          HB2       CYS  17  -1.542  -8.119   1.312
  117   2HB   CYS  17          HB3       CYS  17  -2.439  -7.564  -0.090
  118    H    CYS  18           H        CYS  18  -1.654  -5.710  -1.169
  119    HA   CYS  18           HA       CYS  18  -0.332  -3.715   0.563
  120   1HB   CYS  18          HB2       CYS  18   0.639  -3.501  -1.736
  121   2HB   CYS  18          HB3       CYS  18  -0.997  -3.340  -2.383
  122    H    SER  19           H        SER  19  -1.825  -2.417   1.498
  123    HA   SER  19           HA       SER  19  -4.445  -3.457   1.599
  124   1HB   SER  19          HB2       SER  19  -4.707  -1.978   3.370
  125   2HB   SER  19          HB3       SER  19  -3.110  -2.321   3.399
  126    HG   SER  19           HG       SER  19  -3.572  -0.142   3.728
  127    H    GLN  20           H        GLN  20  -6.343  -1.950   1.849
  128    HA   GLN  20           HA       GLN  20  -7.039  -0.731  -0.688
  129   1HB   GLN  20          HB2       GLN  20  -8.484  -0.299   1.840
  130   2HB   GLN  20          HB3       GLN  20  -9.083  -0.325   0.320
  131   1HG   GLN  20          HG2       GLN  20  -9.876  -2.250   1.201
  132   2HG   GLN  20          HG3       GLN  20  -8.569  -2.755   0.362
  133   1HE2  GLN  20          1HE2      GLN  20  -9.129  -4.692   2.062
  134   2HE2  GLN  20          2HE2      GLN  20  -8.108  -4.479   3.510
  135    H    TRP  21           H        TRP  21  -5.344   0.338   2.154
  136    HA   TRP  21           HA       TRP  21  -5.757   3.183   1.386
  137   1HB   TRP  21          HB2       TRP  21  -5.864   1.930   3.896
  138   2HB   TRP  21          HB3       TRP  21  -4.725   3.100   3.902
  139    HD1  TRP  21           HD       TRP  21  -8.336   2.669   4.209
  140    HE1  TRP  21           HE1      TRP  21  -9.600   4.922   3.945
  141    HE3  TRP  21           HE3      TRP  21  -4.444   5.662   2.819
  142    HZ2  TRP  21           HZ2      TRP  21  -9.056   7.516   2.838
  143    HZ3  TRP  21           HZ3      TRP  21  -4.831   8.009   2.140
  144    HH2  TRP  21           HH       TRP  21  -7.117   8.925   2.042
  145    H    GLY  22           H        GLY  22  -3.292   0.740   1.387
  146   1HA   GLY  22          HA1       GLY  22  -1.437   1.622  -0.162
  147   2HA   GLY  22          HA2       GLY  22  -1.304   2.978   0.934
  148    H    TRP  23           H        TRP  23  -1.769  -0.239   2.373
  149    HA   TRP  23           HA       TRP  23   1.111  -0.027   3.231
  150   1HB   TRP  23          HB2       TRP  23  -1.334  -0.374   4.820
  151   2HB   TRP  23          HB3       TRP  23   0.179  -0.508   5.419
  152    HD1  TRP  23           HD       TRP  23  -2.359   2.047   4.430
  153    HE1  TRP  23           HE1      TRP  23  -1.699   4.218   5.687
  154    HE3  TRP  23           HE3      TRP  23   2.445   0.937   5.533
  155    HZ2  TRP  23           HZ2      TRP  23   0.566   5.312   6.980
  156    HZ3  TRP  23           HZ3      TRP  23   3.917   2.591   6.745
  157    HH2  TRP  23           HH       TRP  23   2.962   4.749   7.526
  158    H    CYS  24           H        CYS  24   2.206  -1.978   3.861
  159    HA   CYS  24           HA       CYS  24   1.215  -4.088   2.132
  160   1HB   CYS  24          HB2       CYS  24   3.707  -3.824   3.825
  161   2HB   CYS  24          HB3       CYS  24   3.382  -5.197   2.758
  162    H    GLY  25           H        GLY  25   0.856  -6.328   2.649
  163   1HA   GLY  25          HA1       GLY  25   0.741  -7.142   5.476
  164   2HA   GLY  25          HA2       GLY  25  -0.835  -6.838   4.736
  165    H    SER  26           H        SER  26  -0.377  -9.297   5.750
  166    HA   SER  26           HA       SER  26  -0.015 -11.047   3.339
  167   1HB   SER  26          HB2       SER  26   1.174 -12.535   4.654
  168   2HB   SER  26          HB3       SER  26   1.791 -11.101   5.136
  169    HG   SER  26           HG       SER  26  -0.158 -12.560   6.419
  170    H    THR  27           H        THR  27  -2.497  -9.857   4.415
  171    HA   THR  27           HA       THR  27  -3.903 -12.180   5.628
  172    HB   THR  27           HB       THR  27  -4.610 -10.603   7.433
  173    HG1  THR  27           HG1      THR  27  -3.980  -8.630   7.414
  174   1HG2  THR  27          1HG2      THR  27  -2.539 -12.073   7.730
  175   2HG2  THR  27          2HG2      THR  27  -1.558 -10.660   7.265
  176   3HG2  THR  27          3HG2      THR  27  -2.570 -10.591   8.712
  177    H    ASP  28           H        ASP  28  -6.236 -11.901   5.654
  178    HA   ASP  28           HA       ASP  28  -7.236 -11.188   3.157
  179   1HB   ASP  28          HB2       ASP  28  -8.370 -12.605   4.750
  180   2HB   ASP  28          HB3       ASP  28  -8.706 -11.337   5.723
  181    H    GLU  29           H        GLU  29  -7.555  -9.255   6.186
  182    HA   GLU  29           HA       GLU  29  -8.857  -7.083   4.847
  183   1HB   GLU  29          HB2       GLU  29  -8.775  -6.054   6.903
  184   2HB   GLU  29          HB3       GLU  29  -9.008  -7.641   7.210
  185   1HG   GLU  29          HG2       GLU  29  -6.572  -6.194   7.670
  186   2HG   GLU  29          HG3       GLU  29  -7.592  -6.731   8.827
  187    H    TYR  30           H        TYR  30  -5.583  -7.956   4.586
  188    HA   TYR  30           HA       TYR  30  -4.997  -5.196   3.560
  189   1HB   TYR  30          HB2       TYR  30  -3.209  -7.227   4.684
  190   2HB   TYR  30          HB3       TYR  30  -2.644  -6.101   3.645
  191    HD1  TYR  30           HD1      TYR  30  -4.452  -6.435   6.807
  192    HD2  TYR  30           HD2      TYR  30  -1.769  -4.058   4.449
  193    HE1  TYR  30           HE1      TYR  30  -4.460  -4.671   8.577
  194    HE2  TYR  30           HE2      TYR  30  -1.736  -2.320   6.239
  195    HH   TYR  30           HH       TYR  30  -2.561  -1.679   8.242
  196    H    CYS  31           H        CYS  31  -5.787  -8.399   2.577
  197    HA   CYS  31           HA       CYS  31  -4.483  -8.003  -0.079
  198   1HB   CYS  31          HB2       CYS  31  -5.803 -10.359   1.297
  199   2HB   CYS  31          HB3       CYS  31  -5.166 -10.394  -0.340
  200    H    SER  32           H        SER  32  -7.659  -8.092   1.449
  201    HA   SER  32           HA       SER  32  -9.036  -8.247  -1.159
  202   1HB   SER  32          HB2       SER  32  -9.940  -8.393   1.646
  203   2HB   SER  32          HB3       SER  32 -10.983  -8.355   0.390
  204    HG   SER  32           HG       SER  32  -9.836 -10.437   1.328
  205   1HN   NH2  33          HN1       NH2  33  -9.118  -6.395  -2.272
  206   2HN   NH2  33          HN2       NH2  33  -9.612  -4.850  -1.614
  207    H1   NAG  34           H1       NAG  34  -9.901   9.904   7.699
  208    H2   NAG  34           H2       NAG  34  -9.759   8.461   5.051
  209    H3   NAG  34           H3       NAG  34  -8.359   7.920   7.710
  210    H4   NAG  34           H4       NAG  34  -7.314   8.710   4.950
  211    H5   NAG  34           H5       NAG  34  -7.510  10.349   7.515
  212   1H6   NAG  34          1H6       NAG  34  -6.598  11.020   4.674
  213   2H6   NAG  34          2H6       NAG  34  -5.613  11.103   6.156
  214   1H8   NAG  34          1H8       NAG  34 -12.684   4.897   5.825
  215   2H8   NAG  34          2H8       NAG  34 -12.373   5.480   7.479
  216   3H8   NAG  34          3H8       NAG  34 -13.355   6.464   6.344
  217    HN2  NAG  34           H2N      NAG  34 -11.506   7.862   7.316
  218    HO1  NAG  34           HO1      NAG  34 -11.891   9.807   6.528
  219    HO3  NAG  34           HO3      NAG  34  -8.975   6.363   5.541
  220    HO6  NAG  34           HO6      NAG  34  -8.049  12.463   5.837
  221    H1   NAG  35           H1       NAG  35  -5.850   6.903   5.219
  222    H2   NAG  35           H2       NAG  35  -3.572   7.686   7.054
  223    H3   NAG  35           H3       NAG  35  -3.616   5.380   5.082
  224    H4   NAG  35           H4       NAG  35  -3.704   5.292   8.135
  225    H5   NAG  35           H5       NAG  35  -5.787   4.731   5.986
  226   1H6   NAG  35          1H6       NAG  35  -6.142   4.528   8.998
  227   2H6   NAG  35          2H6       NAG  35  -6.062   3.139   7.890
  228   1H8   NAG  35          1H8       NAG  35  -2.219  10.957   4.029
  229   2H8   NAG  35          2H8       NAG  35  -1.546   9.376   3.535
  230   3H8   NAG  35          3H8       NAG  35  -3.188   9.846   3.016
  231    HN2  NAG  35           H2N      NAG  35  -3.152   7.596   4.059
  232    HO3  NAG  35           HO3      NAG  35  -1.635   6.430   5.484
  233    HO6  NAG  35           HO6      NAG  35  -7.824   5.228   7.285
  234    H1   NAG  36           H1       NAG  36  -3.762   2.910   8.957
  235    H2   NAG  36           H2       NAG  36  -2.155   1.446   6.872
  236    H3   NAG  36           H3       NAG  36  -2.250   0.581   9.736
  237    H4   NAG  36           H4       NAG  36  -0.009   1.894   8.114
  238    H5   NAG  36           H5       NAG  36  -1.832   2.851  10.363
  239   1H6   NAG  36          1H6       NAG  36  -0.330   5.028   9.662
  240   2H6   NAG  36          2H6       NAG  36   0.906   3.768   9.610
  241   1H8   NAG  36          1H8       NAG  36  -6.446  -0.090   6.962
  242   2H8   NAG  36          2H8       NAG  36  -5.922  -0.986   5.517
  243   3H8   NAG  36          3H8       NAG  36  -5.448  -1.567   7.126
  244    HN2  NAG  36           H2N      NAG  36  -4.440   0.257   8.426
  245    HO4  NAG  36           HO4      NAG  36   0.788   0.346   9.721
  246    HO3  NAG  36           HO3      NAG  36  -0.438  -0.634   8.544
  247    HO6  NAG  36           HO6      NAG  36   0.238   3.229  11.794