*HEADER    TRANSFERASE                             15-JUN-04   1TOT              
*TITLE     ZZ DOMAIN OF CBP- A NOVEL FOLD FOR A PROTEIN INTERACTION              
*TITLE    2 MODULE                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CREB-BINDING PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZZ DOMAIN OF MURINE CBP (RESIDUES 1700-1751);              
*COMPND   5 EC: 2.3.1.48;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: CREBBP, CBP;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) [DNAY];                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    ZINC BINDING, CBP, TAZ2                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.B.LEGGE, M.A.MARTINEZ-YAMOUT, D.M.HAMBLY, T.TRINH,                  
*AUTHOR   2 H.J.DYSON, P.E.WRIGHT                                                
*REVDAT   1   18-JAN-05 1TOT    0                                                

#
#     9 CYS  HN           14 HIS  O           2.00     (#   1001:99   H-bonds)
 &rst
  ixpk= 1001, nxpk= 99, iat= 135, 221, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#     9 CYS  N            14 HIS  O           2.80     (#   1002:99   H-bonds)
 &rst
  ixpk= 1002, nxpk= 99, iat= 134, 221, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    12 CYS  HN            9 CYS  O           2.00     (#   1013:99   H-bonds)
 &rst
  ixpk= 1013, nxpk= 99, iat= 174, 143, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    12 CYS  N             9 CYS  O           2.80     (#   1014:99   H-bonds)
 &rst
  ixpk= 1014, nxpk= 99, iat= 173, 143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    20 TRP  HN           30 LEU  O           2.00     (#   1015:99   H-bonds)
 &rst
  ixpk= 1015, nxpk= 99, iat= 309, 477, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    20 TRP  N            30 LEU  O           2.80     (#   1016:99   H-bonds)
 &rst
  ixpk= 1016, nxpk= 99, iat= 308, 477, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    22 CYS  HN           28 TYR  O           2.00     (#   1017:99   H-bonds)
 &rst
  ixpk= 1017, nxpk= 99, iat= 350, 446, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    22 CYS  N            28 TYR  O           2.80     (#   1018:99   H-bonds)
 &rst
  ixpk= 1018, nxpk= 99, iat= 349, 446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    30 LEU  HN           20 TRP  O           2.00     (#   1019:99   H-bonds)
 &rst
  ixpk= 1019, nxpk= 99, iat= 460, 331, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#    30 LEU  N            20 TRP  O           2.80     (#   1020:99   H-bonds)
 &rst
  ixpk= 1020, nxpk= 99, iat= 459, 331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           15 HIS  HA          2.70    (#      0:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 240, 225, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   15 HIS  HD2          15 HIS  HA          5.00    (#      1:20  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1, nxpk= 20, iat= 236, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3       15 HIS  HA          3.50    (#      3:20  Resolved postSane   )
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228, 227, 228,
 &end
#
#    8 THR  MG2          15 HIS  HA          3.50    (#      4:20  Unique         2.36, 3.39 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2          15 HIS  HA          5.00    (#      5:20  Unique         3.52, 4.65 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   47 TRP  HN           47 TRP  HA          3.50    (#      6:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 6, nxpk= 20, iat= 739, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 GLY  HN           47 TRP  HA          3.50    (#      7:20  Unique         2.16, 2.33 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 763, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:9       47 TRP  HA          5.00    (#      9:20  NMR Lookup Data     )
 &rst
  ixpk= 9, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 108, 756, 747,
 &end
#
#   47 TRP  HB+          47 TRP  HA          3.50    (#     12:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          47 TRP  HA          2.70    (#     13:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 743, 744,
 &end
#
#   49 LEU  MDY          47 TRP  HA          5.00    (#     14:20  Unique         3.87, 5.46 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#    0 AMB  20-2:15      47 TRP  HA          5.00    (#     15:20  NMR Lookup Data     )
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 728, 277, 278, 279, 721,
 &end
#
#   38 LYS  HN           38 LYS  HA          5.00    (#     16:20  Unique         2.81, 2.91 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           38 LYS  HA          3.50    (#     17:20  Unique         3.49, 3.52 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 603, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HE-          38 LYS  HA          5.00    (#     18:20  Unique         2.16, 2.26 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 594, 595,
 &end
#
#    0 AMB  20-2:19      38 LYS  HA          2.70    (#     19:20  Resolved postSane   )
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 585, 586, 585, 586,
 &end
#
#   38 LYS  HD+          38 LYS  HA          2.70    (#     20:20  Unique         2.68, 2.76 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:21      38 LYS  HA          3.50    (#     21:20  Resolved postSane   )
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 588, 589,
 &end
#
#   21 HIS  HN           46 LYS  HA          3.50    (#     22:20  Unique         2.50, 2.70 A)
 &rst
  ixpk= 22, nxpk= 20, iat= 333, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HN           46 LYS  HA          2.70    (#     23:20  Unique         1.94, 2.03 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 739, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   19 ARG  HN           46 LYS  HA          5.00    (#     24:20  Resolved postSane   )
 &rst
  ixpk= 24, nxpk= 20, iat= 285, 719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HN           46 LYS  HA          3.50    (#     25:20  Unique         2.01, 2.06 A)
 &rst
  ixpk= 25, nxpk= 20, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HA           46 LYS  HA          2.70    (#     27:20  Unique         2.06, 2.20 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 311, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   47 TRP  HB-          46 LYS  HA          5.00    (#     28:20  Resolved postSane   )
 &rst
  ixpk= 28, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   46 LYS  HB2          46 LYS  HA          2.70    (#     29:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 721, 719, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   46 LYS  HG-          46 LYS  HA          3.50    (#     30:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HA          3.50    (#     31:20  Unique         3.25, 3.31 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HA          3.50    (#     32:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 32, nxpk= 20, iat= 722, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 LEU  HN           51 LEU  HA          5.00    (#     33:20  Unique         2.14, 2.49 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 796, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASP  HN           51 LEU  HA          3.50    (#     34:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 34, nxpk= 20, iat= 815, 798, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:35      51 LEU  HA          2.70    (#     35:20  NMR Lookup Data     )
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 803, 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          51 LEU  HA          2.70    (#     36:20  Unique         2.46, 3.57 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   49 LEU  HN           49 LEU  HA          5.00    (#     37:20  Unique         2.20, 2.55 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:38      36 ASN  HA          3.50    (#     38:20  Resolved postSane   )
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 553, 603,
 &end
#
#   35 TYR  HD2          36 ASN  HA          6.00    (#     39:20  Resolved postSane   )
 &rst
  ixpk= 39, nxpk= 20, iat= 549, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:42       0 AMB  20-1:42     5.00    (#     42:20  NMR Lookup Data     )
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 605, 792, 791, 766, 534,
 igr2= 555, 772,
 &end
#
#   36 ASN  HB3          36 ASN  HA          3.50    (#     43:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 558, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:44      49 LEU  HA          3.50    (#     44:20  Resolved postSane   )
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 774, 775, 774, 775,
 &end
#
#   37 THR  MG2          36 ASN  HA          5.00    (#     45:20  Unique         5.05, 6.22 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   18 THR  MG2          49 LEU  HA          5.00    (#     46:20  Unique         4.83, 6.27 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          49 LEU  HA          3.50    (#     47:20  Unique         2.29, 2.99 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#   36 ASN  HB2          36 ASN  HA          3.50    (#     48:20  Unique         2.74, 2.93 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HN           44 MET  HA          5.00    (#     49:20  Unique         3.82, 3.92 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 333, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           44 MET  HA          2.70    (#     51:20  Resolved postSane   )
 &rst
  ixpk= 51, nxpk= 20, iat= 701, 686, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           44 MET  HA          3.50    (#     52:20  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 52, nxpk= 20, iat= 360, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HD2          44 MET  HA          5.00    (#     53:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 346, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HA           44 MET  HA          2.70    (#     56:20  Preassigned    2.25, 2.27 A)
 &rst
  ixpk= 56, nxpk= 20, iat= 352, 686, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HA           44 MET  HA          5.00    (#     57:20  Unique         4.35, 4.38 A)
 &rst
  ixpk= 57, nxpk= 20, iat= 664, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HG2          44 MET  HA          3.50    (#     58:20  Unique         2.47, 2.54 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 691, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:59      44 MET  HA          5.00    (#     59:20  NMR Lookup Data     )
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 355, 354, 337, 338,
 &end
#
#    0 AMB  20-2:60      44 MET  HA          2.70    (#     60:20  Resolved postSane   )
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           44 MET  HA          5.00    (#     61:20  Resolved postSane   )
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:62      44 MET  HA          2.70    (#     62:20  Resolved postSane   )
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 366, 370,
 &end
#
#    0 AMB  20-2:63      44 MET  HA          3.50    (#     63:20  Resolved postSane   )
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#   21 HIS  HN           21 HIS  HA          3.50    (#     64:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 64, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:65      21 HIS  HA          3.50    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#   22 CYS  HN           21 HIS  HA          2.70    (#     66:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 350, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          21 HIS  HA          6.00    (#     67:20  Unique         2.80, 2.88 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 346, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HA           21 HIS  HA          2.70    (#     68:20  Unique         2.10, 2.15 A)
 &rst
  ixpk= 68, nxpk= 20, iat= 450, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HA           21 HIS  HA          5.00    (#     70:20  Resolved postSane   )
 &rst
  ixpk= 70, nxpk= 20, iat= 352, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          21 HIS  HA          5.00    (#     71:20  Resolved postSane   )
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   21 HIS  HB+          21 HIS  HA          2.70    (#     72:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          21 HIS  HA          2.70    (#     73:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   44 MET  ME           21 HIS  HA          3.50    (#     75:20  Unique         3.32, 4.00 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:76      21 HIS  HA          5.00    (#     76:20  Resolved postSane   )
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 289, 290, 467, 292,
 &end
#
#   45 VAL  MG2          21 HIS  HA          5.00    (#     77:20  Unique         4.53, 5.26 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 711, 712, 713,
 &end
#
#    0 AMB  20-2:78       3 ASP  HA          2.70    (#     78:20  Resolved postSane   )
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=  40,  28,
 &end
#
#    4 ARG  HA            3 ASP  HA          5.00    (#     79:20  Unique         4.26, 4.46 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  42,  30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:80       3 ASP  HA          5.00    (#     80:20  NMR Lookup Data     )
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  50,  51,
 &end
#
#    0 AMB  20-2:81       3 ASP  HA          2.70    (#     81:20  NMR Lookup Data     )
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  32,  33,  32,  33,
 &end
#
#    0 AMB  20-2:82       3 ASP  HA          5.00    (#     82:20  NMR Lookup Data     )
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  15,  16,  88,
 &end
#
#    0 AMB  20-2:83       3 ASP  HA          5.00    (#     83:20  Resolved postSane   )
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           3 ASP  HA          5.00    (#     84:20  Unique         3.52, 3.91 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  47,  48,
 &end
#
#    6 VAL  MG1           3 ASP  HA          5.00    (#     85:20  Unique         4.11, 5.64 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  90,  91,  92,
 &end
#
#   19 ARG  HN           48 GLY  HA2         3.50    (#     96:20  Unique         3.37, 3.54 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 285, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LEU  HN           48 GLY  HA2         5.00    (#     97:20  Unique         2.01, 2.96 A)
 &rst
  ixpk= 97, nxpk= 20, iat= 770, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           48 GLY  HA2         5.00    (#     98:20  Unique         2.66, 2.79 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 763, 765, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:102     48 GLY  HA2         5.00    (#    102:20  NMR Lookup Data     )
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  68,  69, 743, 744,
 &end
#
#   46 LYS  HE-          48 GLY  HA2         6.00    (#    103:20  Unique         4.41, 5.64 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:104     48 GLY  HA2         3.50    (#    104:20  Resolved postSane   )
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 777, 774, 775, 774, 775, 800, 801,
 &end
#
#   18 THR  MG2          48 GLY  HA2         3.50    (#    105:20  Unique         2.82, 4.08 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          48 GLY  HA2         5.00    (#    106:20  Unique         3.83, 5.36 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1, 765, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#   19 ARG  HN           48 GLY  HA1         5.00    (#    107:20  Unique         2.82, 3.29 A)
 &rst
  ixpk= 107, nxpk= 20, iat= 285, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LEU  HN           48 GLY  HA1         5.00    (#    108:20  Unique         2.70, 2.99 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           48 GLY  HA1         3.50    (#    109:20  Unique         2.71, 2.84 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 763, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:112     48 GLY  HA1         6.00    (#    112:20  Resolved postSane   )
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 743, 744,  68,  69,
 &end
#
#    0 AMB  20-2:114     48 GLY  HA1         5.00    (#    114:20  NMR Lookup Data     )
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 800, 801, 800, 801, 777, 774, 775, 774, 775,
 &end
#
#   18 THR  MG2          48 GLY  HA1         3.50    (#    115:20  Unique         2.03, 2.68 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 277, 278, 279,
 &end
#
#   49 LEU  MDY          48 GLY  HA1         5.00    (#    116:20  Unique         4.48, 5.77 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 779, 780, 781, 783, 784, 785,
 &end
#
#    0 AMB  20-2:136      0 AMB  20-1:136    5.00    (#    136:20  NMR Lookup Data     )
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  74,  78,  76,
 igr2=  51,  50,
 &end
#
#    4 ARG  HA            0 AMB  20-1:138    5.00    (#    138:20  Single Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:139      4 ARG  HD-         3.50    (#    139:20  Resolved postSane   )
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  44,  45,  44,  45,  44,  45,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:140      4 ARG  HD-         2.70    (#    140:20  Resolved postSane   )
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  48,  47,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:141      4 ARG  HD-         5.00    (#    141:20  Resolved postSane   )
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  94,  95,  96,  90,  91,  92,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:153     43 LYS  HE-         2.70    (#    153:20  Resolved postSane   )
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 667, 673, 672,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:154     43 LYS  HE-         2.70    (#    154:20  Resolved postSane   )
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 370, 366, 670,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:155      0 AMB  20-1:155    3.50    (#    155:20  NMR Lookup Data     )
 &rst
  ixpk= 155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 707, 708, 709, 711, 712, 713, 380, 381, 382,
 igr2= 676, 675,
 &end
#
#   13 LYS  HN            0 AMB  20-1:156    5.00    (#    156:20  Single Ambig)
 &rst
  ixpk= 156, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 197, 198,
 &end
#
#   11 GLU  HA            0 AMB  20-1:159    5.00    (#    159:20  Single Ambig)
 &rst
  ixpk= 159, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 198, 197,
 &end
#
#    0 AMB  20-2:160      0 AMB  20-1:160    3.50    (#    160:20  NMR Lookup Data     )
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 583, 186, 147,
 igr2= 594, 197,
 &end
#
#    0 AMB  20-2:161      0 AMB  20-1:161    5.00    (#    161:20  NMR Lookup Data     )
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 188, 164,
 igr2= 197, 198, 595,
 &end
#
#    0 AMB  20-2:162     38 LYS  HE-         3.50    (#    162:20  Resolved postSane   )
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 585, 586, 585, 586, 585, 586,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:163      0 AMB  20-1:163    2.70    (#    163:20  NMR Lookup Data     )
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 194, 195, 591, 592,
 igr2= 198, 197, 595, 594,
 &end
#
#    0 AMB  20-2:164      0 AMB  20-1:164    2.70    (#    164:20  Resolved postSane   )
 &rst
  ixpk= 164, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 595, 594,
 &end
#
#   13 LYS  HG+           0 AMB  20-1:165    3.50    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 191, 192,
 igr2= 197, 198,
 &end
#
#   25 CYS  HN           28 TYR  HB3         6.00    (#    166:20  Unique         4.39, 4.51 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 390, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HN           28 TYR  HB3         3.50    (#    167:20  Resolved postSane   )
 &rst
  ixpk= 167, nxpk= 20, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HN           28 TYR  HB3         6.00    (#    168:20  Resolved postSane   )
 &rst
  ixpk= 168, nxpk= 20, iat= 448, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HD2          28 TYR  HB3         3.50    (#    170:20  Unique         2.30, 2.35 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 444, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HA           28 TYR  HB3         3.50    (#    171:20  Unique         3.03, 3.05 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          28 TYR  HB3         3.50    (#    173:20  Unique         1.99, 2.37 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:174     28 TYR  HB3         2.70    (#    174:20  NMR Lookup Data     )
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 355, 354, 395, 394,
 &end
#
#   28 TYR  HN           28 TYR  HB2         3.50    (#    178:20  Resolved postSane   )
 &rst
  ixpk= 178, nxpk= 20, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:179      0 AMB  20-1:179    5.00    (#    179:20  NMR Lookup Data     )
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  64, 448,
 igr2=  32,  33, 431,
 &end
#
#    0 AMB  20-2:180     28 TYR  HB2         3.50    (#    180:20  Resolved postSane   )
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 435, 444,
 &end
#
#   22 CYS  HB+          28 TYR  HB2         5.00    (#    181:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:182      3 ASP  HB-         6.00    (#    182:20  Resolved postSane   )
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  40,  28,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:183      3 ASP  HB+         5.00    (#    183:20  Resolved postSane   )
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  40,  28,
 igr2=  32,  33,
 &end
#
#    3 ASP  HA            3 ASP  HB+         3.50    (#    185:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    3 ASP  HA            3 ASP  HB-         3.50    (#    186:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 186, nxpk= 20, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:188      0 AMB  20-1:188    5.00    (#    188:20  Resolved postSane   )
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 817,  13,
 igr2= 730,  32,  33, 731,
 &end
#
#   27 ASP  HA           27 ASP  HB2         3.50    (#    189:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 ASP  HN           27 ASP  HB2         3.50    (#    190:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HN            7 TYR  HB2         3.50    (#    191:20  Resolved postSane   )
 &rst
  ixpk= 191, nxpk= 20, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HD1           7 TYR  HB2         5.00    (#    192:20  Resolved postSane   )
 &rst
  ixpk= 192, nxpk= 20, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:193      0 AMB  20-1:193    5.00    (#    193:20  NMR Lookup Data     )
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 121, 415,
 igr2= 105, 420,
 &end
#
#    7 TYR  HD1           7 TYR  HB3         5.00    (#    194:20  Resolved postSane   )
 &rst
  ixpk= 194, nxpk= 20, iat= 108, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 TYR  HA            7 TYR  HB2         3.50    (#    195:20  Unique         2.96, 3.03 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 102, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  HA            7 TYR  HB2         6.00    (#    196:20  Unique         5.63, 5.98 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 242, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA            7 TYR  HB3         3.50    (#    197:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 197, nxpk= 20, iat= 102, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:199      0 AMB  20-1:199    5.00    (#    199:20  NMR Lookup Data     )
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 324,  74,  78,
 igr2= 731,  32,  33, 730,
 &end
#
#    0 AMB  20-2:200      0 AMB  20-1:200    5.00    (#    200:20  NMR Lookup Data     )
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 326, 236,
 igr2=  32,  33, 731,  32,  33,
 &end
#
#   20 TRP  HE1           0 AMB  20-1:201    5.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 731, 730,
 &end
#
#   48 GLY  HA1           0 AMB  20-1:202    5.00    (#    202:20  Resolved postSane   )
 &rst
  ixpk= 202, nxpk= 20, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 730, 731,  32,  33,  32,  33,
 &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    2.70    (#    203:20  Resolved postSane   )
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 277, 278, 279, 728, 727,
 igr2= 730, 731,
 &end
#
#    6 VAL  MG1           3 ASP  HB+         3.50    (#    204:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  90,  91,  92,
 igr2=  32,  33,
 &end
#
#   46 LYS  HG-           0 AMB  20-1:205    3.50    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 724, 725,
 igr2= 730, 731,
 &end
#
#   46 LYS  HG+           0 AMB  20-1:206    5.00    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 725,
 igr2= 731, 730,
 &end
#
#   46 LYS  HB3           0 AMB  20-1:207    6.00    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 731, 730,
 &end
#
#    6 VAL  MG1           3 ASP  HB-         5.00    (#    208:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  90,  91,  92,
 igr2=  32,  33,
 &end
#
#    6 VAL  HB            3 ASP  HB-         3.50    (#    210:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:212     27 ASP  HB2         5.00    (#    212:20  NMR Lookup Data     )
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#    0 AMB  20-2:213     27 ASP  HB2         5.00    (#    213:20  Resolved postSane   )
 &rst
  ixpk= 213, nxpk= 20, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#   26 GLU  HA            0 AMB  20-1:214    5.00    (#    214:20  Resolved postSane   )
 &rst
  ixpk= 214, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 420, 105,
 &end
#
#   16 VAL  MG2           7 TYR  HB2         3.50    (#    216:20  Unique         2.56, 3.42 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#   16 VAL  MG2           7 TYR  HB3         3.50    (#    217:20  Unique         4.06, 4.57 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    6 VAL  HB            3 ASP  HB+         5.00    (#    228:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  32,  33,
 &end
#
#   10 ASN  HA           10 ASN  HB+         3.50    (#    232:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 232, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   10 ASN  HN           10 ASN  HB+         3.50    (#    237:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   11 GLU  HN           10 ASN  HB+         5.00    (#    238:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:239      0 AMB  20-1:239    3.50    (#    239:20  NMR Lookup Data     )
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 448, 154, 155,
 igr2= 149, 150, 149, 150,
 &end
#
#   10 ASN  HD2-         10 ASN  HB+         3.50    (#    240:20  Unique         2.14, 3.34 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 154, 155,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:241     10 ASN  HB+         6.00    (#    241:20  Resolved postSane   )
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 435, 444,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:242     10 ASN  HB+         5.00    (#    242:20  Resolved postSane   )
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 437, 442,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:243     10 ASN  HB+         5.00    (#    243:20  Resolved postSane   )
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 473, 474, 475, 495, 496, 497,
 igr2= 149, 150,
 &end
#
#   34 CYS  HN            0 AMB  20-1:245    3.50    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:246      0 AMB  20-1:246    5.00    (#    246:20  Resolved postSane   )
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 532, 489,
 igr2= 557, 512, 513, 512, 513, 512, 513,
 &end
#
#   33 ASN  HN            0 AMB  20-1:247    2.70    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 512, 513, 512, 513,
 &end
#
#   36 ASN  HN           36 ASN  HB2         3.50    (#    248:20  Unique         2.11, 2.16 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HD2-          0 AMB  20-1:249    3.50    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 517, 518,
 igr2= 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:250      0 AMB  20-1:250    5.00    (#    250:20  NMR Lookup Data     )
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 524, 273, 491,
 igr2= 512, 513, 512, 513,  68,  69, 557,
 &end
#
#    0 AMB  20-2:251      0 AMB  20-1:251    6.00    (#    251:20  NMR Lookup Data     )
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 766, 484,  42,
 igr2=  68,  69, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:253      0 AMB  20-1:253    5.00    (#    253:20  NMR Lookup Data     )
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 260, 261, 493,
 igr2=  68,  69, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:254      5 PHE  HB-         5.00    (#    254:20  Resolved postSane   )
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 774, 775, 774, 775, 777,
 igr2=  68,  69,
 &end
#
#   32 ILE  MG2           0 AMB  20-1:255    3.50    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 495, 496, 497,
 igr2= 557, 512, 513, 512, 513,
 &end
#
#   35 TYR  HN           36 ASN  HB3         6.00    (#    256:20  Unique         5.61, 5.94 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 532, 558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HN           36 ASN  HB3         3.50    (#    257:20  Unique         3.08, 3.34 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HD2-         36 ASN  HB3         3.50    (#    258:20  Unique         3.43, 3.83 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 562, 563,
 &end
#
#   33 ASN  HA           36 ASN  HB3         3.50    (#    259:20  Unique         3.09, 3.46 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 510, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HA           36 ASN  HB3         3.50    (#    260:20  Resolved postSane   )
 &rst
  ixpk= 260, nxpk= 20, iat= 555, 558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 THR  MG2          36 ASN  HB3         3.50    (#    263:20  Unique         3.05, 4.34 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 573, 574, 575,
 &end
#
#   32 ILE  MG2          36 ASN  HB3         6.00    (#    264:20  Unique         4.80, 6.00 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 495, 496, 497,
 &end
#
#   36 ASN  HA           36 ASN  HB2         3.50    (#    265:20  Resolved postSane   )
 &rst
  ixpk= 265, nxpk= 20, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  HN            8 THR  HB          5.00    (#    266:20  Unique         3.43, 3.50 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HN            8 THR  HB          3.50    (#    267:20  Unique         3.28, 3.38 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 135, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            8 THR  HB          6.00    (#    268:20  Unique         4.65, 4.88 A)
 &rst
  ixpk= 268, nxpk= 20, iat= 184, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 HIS  HA            8 THR  HB          5.00    (#    269:20  Unique         4.29, 4.77 A)
 &rst
  ixpk= 269, nxpk= 20, iat= 225, 125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:270      8 THR  HB          5.00    (#    270:20  Resolved postSane   )
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 186, 147,
 &end
#
#    8 THR  MG2           8 THR  HB          2.70    (#    271:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 127, 128, 129,
 &end
#
#   38 LYS  HN           37 THR  HB          5.00    (#    282:20  Unique         3.04, 3.60 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 581, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HN           37 THR  HB          5.00    (#    283:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HG-          37 THR  HB          5.00    (#    286:20  Unique         3.88, 4.02 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          37 THR  HB          2.70    (#    287:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 573, 574, 575,
 &end
#
#    0 AMB  20-2:288     37 THR  HB          6.00    (#    288:20  Resolved postSane   )
 &rst
  ixpk= 288, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 594, 595,
 &end
#
#    0 AMB  20-2:289     37 THR  HB          6.00    (#    289:20  Resolved postSane   )
 &rst
  ixpk= 289, nxpk= 20, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#   19 ARG  HN           18 THR  HB          5.00    (#    294:20  Unique         3.79, 4.03 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 285, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  HN           18 THR  HB          3.50    (#    295:20  Resolved postSane   )
 &rst
  ixpk= 295, nxpk= 20, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 GLU  HG1          18 THR  HB          5.00    (#    297:20  Resolved postSane   )
 &rst
  ixpk= 297, nxpk= 20, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  MG2          18 THR  HB          2.70    (#    298:20  Resolved postSane   )
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 277, 278, 279,
 &end
#
#   32 ILE  HG1-         18 THR  HB          5.00    (#    299:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1+         18 THR  HB          5.00    (#    300:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   41 THR  MG2          41 THR  HB          2.70    (#    301:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 637, 638, 639,
 &end
#
#    0 AMB  20-2:303     41 THR  HB          5.00    (#    303:20  NMR Lookup Data     )
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   43 LYS  HN           42 HIS  HB2         5.00    (#    304:20  Unique         3.41, 3.51 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 662, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          42 HIS  HB2         3.50    (#    305:20  Unique         2.59, 2.72 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 627, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HN           42 HIS  HB2         3.50    (#    306:20  Unique         2.35, 2.42 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 645, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HB           42 HIS  HB2         5.00    (#    309:20  Unique         3.94, 4.08 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 378, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  MG1          42 HIS  HB2         3.50    (#    310:20  Unique         2.17, 2.77 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          42 HIS  HB2         6.00    (#    311:20  Unique         3.42, 4.25 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 384, 385, 386,
 &end
#
#   24 VAL  HN           42 HIS  HB3         5.00    (#    312:20  Unique         4.49, 4.54 A)
 &rst
  ixpk= 312, nxpk= 20, iat= 374, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           42 HIS  HB3         3.50    (#    313:20  Unique         2.23, 2.38 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 662, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HD2          42 HIS  HB3         5.00    (#    315:20  Unique         3.10, 3.18 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 658, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HN           42 HIS  HB3         3.50    (#    316:20  Unique         3.53, 3.56 A)
 &rst
  ixpk= 316, nxpk= 20, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HB2          42 HIS  HB3         5.00    (#    319:20  Unique         4.67, 4.90 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 666, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HB3          42 HIS  HB3         6.00    (#    320:20  Unique         4.50, 4.64 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 667, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HB           42 HIS  HB3         3.50    (#    321:20  Unique         2.92, 2.97 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 378, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  MG1          42 HIS  HB3         3.50    (#    322:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          42 HIS  HB3         5.00    (#    323:20  Unique         2.04, 2.85 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  20-2:324     44 MET  HG2         5.00    (#    324:20  NMR Lookup Data     )
 &rst
  ixpk= 324, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 701, 684,
 &end
#
#   23 THR  HN           44 MET  HG2         5.00    (#    325:20  Resolved postSane   )
 &rst
  ixpk= 325, nxpk= 20, iat= 360, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          44 MET  HG2         5.00    (#    326:20  Unique         4.60, 4.80 A)
 &rst
  ixpk= 326, nxpk= 20, iat= 627, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:327     44 MET  HG2         5.00    (#    327:20  Resolved postSane   )
 &rst
  ixpk= 327, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HG2         3.50    (#    328:20  Unique         2.47, 2.54 A)
 &rst
  ixpk= 328, nxpk= 20, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HA           44 MET  HG2         5.00    (#    329:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 311, 691, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HA           44 MET  HG2         3.50    (#    330:20  Unique         2.03, 2.07 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 352, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:331     44 MET  HG2         5.00    (#    331:20  Resolved postSane   )
 &rst
  ixpk= 331, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 355, 354, 314,
 &end
#
#   44 MET  ME           44 MET  HG2         3.50    (#    333:20  Unique         2.23, 2.73 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:334     44 MET  HG2         5.00    (#    334:20  NMR Lookup Data     )
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 366, 370, 467,
 &end
#
#    0 AMB  20-2:335     44 MET  HG2         6.00    (#    335:20  Resolved postSane   )
 &rst
  ixpk= 335, nxpk= 20, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 721, 378,
 &end
#
#   20 TRP  HE1          32 ILE  HA          5.00    (#    338:20  Unique         2.10, 2.22 A)
 &rst
  ixpk= 338, nxpk= 20, iat= 319, 491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:339     32 ILE  HA          3.50    (#    339:20  Resolved postSane   )
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 532,
 &end
#
#   33 ASN  HN           32 ILE  HA          5.00    (#    340:20  Unique         3.55, 3.60 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 508, 491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 ASN  HN           32 ILE  HA          6.00    (#    341:20  Unique         3.71, 3.80 A)
 &rst
  ixpk= 341, nxpk= 20, iat= 553, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:342     32 ILE  HA          6.00    (#    342:20  Resolved postSane   )
 &rst
  ixpk= 342, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 562, 563, 322,
 &end
#
#   20 TRP  HD1          32 ILE  HA          3.50    (#    344:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 317, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:346     32 ILE  HA          5.00    (#    346:20  NMR Lookup Data     )
 &rst
  ixpk= 346, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 287, 481,
 &end
#
#    0 AMB  20-2:347     32 ILE  HA          5.00    (#    347:20  NMR Lookup Data     )
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 557, 483, 512, 513, 512, 513,
 &end
#
#    0 AMB  20-2:348     32 ILE  HA          2.70    (#    348:20  NMR Lookup Data     )
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 537, 536,
 &end
#
#   32 ILE  HB           32 ILE  HA          3.50    (#    349:20  Unique         2.93, 2.96 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         32 ILE  HA          3.50    (#    350:20  Unique         3.35, 3.66 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         32 ILE  HA          3.50    (#    351:20  Unique         3.35, 3.66 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HA          2.70    (#    352:20  Unique         2.39, 3.04 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          32 ILE  HA          5.00    (#    353:20  Unique         2.47, 3.38 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 502, 503, 504,
 &end
#
#   34 CYS  HN           34 CYS  HA          3.50    (#    354:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           34 CYS  HA          5.00    (#    355:20  Unique         3.63, 3.66 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 532, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HN           34 CYS  HA          5.00    (#    356:20  Unique         3.17, 3.57 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 581, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:357     34 CYS  HA          6.00    (#    357:20  NMR Lookup Data     )
 &rst
  ixpk= 357, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 553, 603,
 &end
#
#   37 THR  HN           34 CYS  HA          5.00    (#    358:20  Unique         3.05, 3.23 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 567, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          34 CYS  HA          3.50    (#    360:20  Unique         2.97, 2.99 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB3          34 CYS  HA          2.70    (#    361:20  Unique         2.53, 2.55 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:362     34 CYS  HA          6.00    (#    362:20  NMR Lookup Data     )
 &rst
  ixpk= 362, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 163, 167, 166,
 &end
#
#   11 GLU  HB3          34 CYS  HA          5.00    (#    363:20  Unique         5.97, 6.04 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 164, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:364     34 CYS  HA          5.00    (#    364:20  Resolved postSane   )
 &rst
  ixpk= 364, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 585, 586, 585, 586, 465,
 &end
#
#    0 AMB  20-2:365     34 CYS  HA          5.00    (#    365:20  NMR Lookup Data     )
 &rst
  ixpk= 365, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:366     34 CYS  HA          5.00    (#    366:20  Resolved postSane   )
 &rst
  ixpk= 366, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          34 CYS  HA          5.00    (#    367:20  Unique         4.04, 4.83 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   37 THR  HB           34 CYS  HA          5.00    (#    368:20  Resolved postSane   )
 &rst
  ixpk= 368, nxpk= 20, iat= 571, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           31 CYS  HB2         3.50    (#    369:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HN           31 CYS  HB2         3.50    (#    370:20  Unique         3.89, 3.94 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 489, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           31 CYS  HB2         5.00    (#    371:20  Unique         4.72, 5.00 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 508, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           31 CYS  HB2         3.50    (#    372:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB2          31 CYS  HB2         5.00    (#    374:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 140, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HB           31 CYS  HB2         5.00    (#    375:20  Unique         6.09, 6.18 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 493, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:376     31 CYS  HB2         6.00    (#    376:20  NMR Lookup Data     )
 &rst
  ixpk= 376, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 289, 290, 289, 290, 499, 500,
 &end
#
#   30 LEU  MDY          31 CYS  HB2         6.00    (#    377:20  Unique         5.84, 6.81 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   16 VAL  MG1          31 CYS  HB2         3.50    (#    378:20  Unique         2.10, 2.61 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HB2         5.00    (#    379:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   24 VAL  MG2          24 VAL  HA          2.70    (#    380:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 384, 385, 386,
 &end
#
#   24 VAL  MG1          24 VAL  HA          3.50    (#    381:20  Unique         3.63, 3.95 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   31 CYS  HN            9 CYS  HB3         5.00    (#    383:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 479, 139, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:384      9 CYS  HB3         2.70    (#    384:20  Resolved postSane   )
 &rst
  ixpk= 384, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 135, 174,
 &end
#
#   14 HIS  HN            9 CYS  HB3         3.50    (#    385:20  Unique         2.87, 3.30 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 206, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            9 CYS  HB3         3.50    (#    386:20  Unique         3.48, 3.52 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 184, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:387      9 CYS  HB3         5.00    (#    387:20  Resolved postSane   )
 &rst
  ixpk= 387, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 123, 481,
 &end
#
#    9 CYS  HA            9 CYS  HB3         3.50    (#    388:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 388, nxpk= 20, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG1           9 CYS  HB3         3.50    (#    390:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2           9 CYS  HB3         6.00    (#    391:20  Unique         3.89, 4.69 A)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   24 VAL  HN           23 THR  HA          3.50    (#    397:20  Unique         3.29, 3.31 A)
 &rst
  ixpk= 397, nxpk= 20, iat= 374, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           23 THR  HA          3.50    (#    398:20  Unique         2.95, 2.96 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HD2          23 THR  HA          5.00    (#    399:20  Unique         4.01, 4.06 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 346, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HA          5.00    (#    400:20  Unique         4.87, 4.90 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 686, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:402     23 THR  HA          2.70    (#    402:20  NMR Lookup Data     )
 &rst
  ixpk= 402, nxpk= 20, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 366, 370,
 &end
#
#    0 AMB  20-2:403     23 THR  HA          3.50    (#    403:20 edited  Resolved postSane   )
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 712, 713, 380, 381, 382, 707, 708, 709,
 &end
#
#   38 LYS  HN           37 THR  HA          3.50    (#    404:20  Unique         3.47, 3.50 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 581, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:405     37 THR  HA          5.00    (#    405:20  Resolved postSane   )
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 603, 553,
 &end
#
#   37 THR  HN           37 THR  HA          3.50    (#    406:20  Unique         2.83, 2.88 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:407     37 THR  HA          5.00    (#    407:20  Resolved postSane   )
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 594, 557, 595,
 &end
#
#   36 ASN  HB3          37 THR  HA          5.00    (#    408:20  Unique         3.90, 4.09 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 558, 569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HN           41 THR  HA          5.00    (#    413:20  Resolved postSane   )
 &rst
  ixpk= 413, nxpk= 20, iat= 614, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 THR  HN           41 THR  HA          5.00    (#    414:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 414, nxpk= 20, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:415     41 THR  HA          3.50    (#    415:20  NMR Lookup Data     )
 &rst
  ixpk= 415, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 645,
 &end
#
#   41 THR  MG2          41 THR  HA          3.50    (#    417:20  Unique         2.33, 3.22 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 637, 638, 639,
 &end
#
#   40 HIS  HN            0 AMB  20-1:418    5.00    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 607, 608, 607, 608,
 &end
#
#   39 SER  HN            0 AMB  20-1:419    6.00    (#    419:20  Resolved postSane   )
 &rst
  ixpk= 419, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 607, 608, 607, 608, 607, 608,
 &end
#
#    0 AMB  20-2:420      0 AMB  20-1:420    5.00    (#    420:20  NMR Lookup Data     )
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 583, 569, 555,
 igr2= 607, 608, 607, 608, 607, 608, 607, 608,
 &end
#
#   39 SER  HA            0 AMB  20-1:421    2.70    (#    421:20  Single Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 607, 608, 607, 608,
 &end
#
#    0 AMB  20-2:423     34 CYS  HB2         2.70    (#    423:20  Resolved postSane   )
 &rst
  ixpk= 423, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           34 CYS  HB2         5.00    (#    424:20  Unique         2.76, 2.82 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           34 CYS  HB2         6.00    (#    426:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 462, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:428     34 CYS  HB2         5.00    (#    428:20  NMR Lookup Data     )
 &rst
  ixpk= 428, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 163, 167, 166,
 &end
#
#   30 LEU  HB3          34 CYS  HB2         5.00    (#    429:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:430     34 CYS  HB2         6.00    (#    430:20  NMR Lookup Data     )
 &rst
  ixpk= 430, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          34 CYS  HB2         5.00    (#    431:20  Unique         2.59, 3.78 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          34 CYS  HB2         6.00    (#    432:20  Resolved postSane   )
 &rst
  ixpk= 432, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   15 HIS  HN            0 AMB  20-1:433    5.00    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 227, 228, 227, 228,
 &end
#
#   15 HIS  HA            0 AMB  20-1:436    3.50    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:437      0 AMB  20-1:437    5.00    (#    437:20  NMR Lookup Data     )
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  90,  91,  92,  94,  95,  96,
 igr2= 227, 228, 227, 228, 227, 228,
 &end
#
#   30 LEU  MDX           0 AMB  20-1:438    3.50    (#    438:20  Resolved postSane   )
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   44 MET  ME            0 AMB  20-1:439    5.00    (#    439:20  Single Ambig)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 695, 696, 697,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:441      0 AMB  20-1:441    5.00    (#    441:20  NMR Lookup Data     )
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 208, 616,
 igr2= 210, 211, 210, 211, 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:442      0 AMB  20-1:442    6.00    (#    442:20  NMR Lookup Data     )
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 542, 645,
 igr2= 618, 619, 618, 619, 618, 619,
 &end
#
#   28 TYR  HE2           0 AMB  20-1:443    5.00    (#    443:20  Single Ambig)
 &rst
  ixpk= 443, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  20-2:444      0 AMB  20-1:444    6.00    (#    444:20  Resolved postSane   )
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 627, 219,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   40 HIS  HN            0 AMB  20-1:445    5.00    (#    445:20  Resolved postSane   )
 &rst
  ixpk= 445, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211,
 &end
#
#   47 TRP  HN           47 TRP  HB+         3.50    (#    446:20  Unique         2.29, 2.98 A)
 &rst
  ixpk= 446, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HN           47 TRP  HB+         6.00    (#    447:20  Unique         3.38, 4.13 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 743, 744,
 &end
#
#   47 TRP  HE3          47 TRP  HB+         5.00    (#    448:20  Unique         3.32, 3.89 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HA           47 TRP  HB+         3.50    (#    449:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HB+         5.00    (#    451:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#    0 AMB  20-2:452     31 CYS  HB3         3.50    (#    452:20  NMR Lookup Data     )
 &rst
  ixpk= 452, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 479, 522,
 &end
#
#   32 ILE  HN           31 CYS  HB3         5.00    (#    453:20  Unique         2.90, 2.98 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 489, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HN           31 CYS  HB3         6.00    (#    454:20  Unique         3.06, 3.41 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 508, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HA           31 CYS  HB3         3.50    (#    455:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 455, nxpk= 20, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB3          31 CYS  HB3         5.00    (#    457:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 139, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HB           31 CYS  HB3         5.00    (#    458:20  Unique         2.72, 3.01 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 244, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HB           31 CYS  HB3         6.00    (#    459:20  Unique         4.50, 4.65 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 493, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          31 CYS  HB3         3.50    (#    460:20  Unique         2.80, 3.77 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HB3         5.00    (#    461:20  Unique         3.67, 4.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:462      0 AMB  20-1:462    3.50    (#    462:20  Double Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 749, 333,
 igr2= 337, 338, 337, 338,
 &end
#
#   21 HIS  HA           21 HIS  HB+         5.00    (#    463:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 463, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   21 HIS  HD2          21 HIS  HB+         5.00    (#    464:20  Unique         3.54, 3.70 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   47 TRP  HD1          21 HIS  HB+         6.00    (#    465:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 337, 338,
 &end
#
#   47 TRP  HN           47 TRP  HB-         3.50    (#    467:20  Unique         2.29, 2.98 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#   19 ARG  HN           47 TRP  HB-         5.00    (#    468:20  Unique         3.38, 4.13 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HE3          47 TRP  HB-         6.00    (#    469:20  Unique         3.32, 3.89 A)
 &rst
  ixpk= 469, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 743, 744,
 &end
#
#   47 TRP  HD1          47 TRP  HB-         5.00    (#    470:20  Resolved postSane   )
 &rst
  ixpk= 470, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   47 TRP  HA           47 TRP  HB-         3.50    (#    471:20  Unique         2.57, 2.83 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 743, 744,
 &end
#
#    0 AMB  20-2:472     47 TRP  HB-         5.00    (#    472:20  NMR Lookup Data     )
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 719, 766,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HB-         3.50    (#    475:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   19 ARG  HG+          47 TRP  HB-         5.00    (#    476:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   31 CYS  HN            9 CYS  HB2         3.50    (#    478:20  Unique         2.11, 2.18 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 479, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HN            9 CYS  HB2         3.50    (#    479:20  Resolved postSane   )
 &rst
  ixpk= 479, nxpk= 20, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 HIS  HN            9 CYS  HB2         5.00    (#    480:20  Unique         4.53, 4.97 A)
 &rst
  ixpk= 480, nxpk= 20, iat= 206, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HN            9 CYS  HB2         5.00    (#    481:20  Unique         5.05, 5.07 A)
 &rst
  ixpk= 481, nxpk= 20, iat= 184, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:482      0 AMB  20-1:482    5.00    (#    482:20  NMR Lookup Data     )
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 542,
 igr2= 140, 313,
 &end
#
#    0 AMB  20-2:483      0 AMB  20-1:483    5.00    (#    483:20  NMR Lookup Data     )
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 481, 287, 123,
 igr2= 140, 313,
 &end
#
#    9 CYS  HA            9 CYS  HB2         3.50    (#    484:20  Unique         2.36, 2.37 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2           9 CYS  HB2         5.00    (#    485:20  Unique         2.09, 2.13 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 484, 140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:487     20 TRP  HB2         5.00    (#    487:20  NMR Lookup Data     )
 &rst
  ixpk= 487, nxpk= 20, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 688, 689, 688, 689, 163,
 &end
#
#   44 MET  ME           20 TRP  HB2         6.00    (#    488:20  Unique         2.34, 2.89 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 695, 696, 697,
 &end
#
#   16 VAL  MG2           9 CYS  HB2         5.00    (#    489:20  Unique         2.63, 3.70 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   16 VAL  MG1           9 CYS  HB2         3.50    (#    490:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   30 LEU  HB2          20 TRP  HB2         5.00    (#    491:20  Unique         2.36, 2.48 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 464, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:492     21 HIS  HB-         3.50    (#    492:20  NMR Lookup Data     )
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 749, 333,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:493      0 AMB  20-1:493    6.00    (#    493:20  Resolved postSane   )
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 350, 159, 342,
 igr2= 337, 338, 179, 178,
 &end
#
#   12 CYS  HN           12 CYS  HB-         3.50    (#    494:20  Unique         2.58, 3.19 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 178,
 &end
#
#   14 HIS  HD2          12 CYS  HB-         6.00    (#    495:20  Unique         2.26, 3.67 A)
 &rst
  ixpk= 495, nxpk= 20, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 178,
 &end
#
#   47 TRP  HD1          21 HIS  HB-         6.00    (#    496:20  Unique         2.36, 2.47 A)
 &rst
  ixpk= 496, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 337, 338,
 &end
#
#   21 HIS  HD2          21 HIS  HB-         5.00    (#    497:20  Unique         3.54, 3.70 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 337, 338,
 &end
#
#   21 HIS  HA           21 HIS  HB-         3.50    (#    498:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   19 ARG  HG+          21 HIS  HB-         5.00    (#    501:20  Unique         2.80, 3.53 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 337, 338,
 &end
#
#   45 VAL  MG2          21 HIS  HB-         5.00    (#    502:20  Unique         2.08, 3.83 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 711, 712, 713,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:504     20 TRP  HB3         3.50    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 309, 460,
 &end
#
#    0 AMB  20-2:506     20 TRP  HB3         5.00    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 317, 540, 549,
 &end
#
#    0 AMB  20-2:507     20 TRP  HB3         6.00    (#    507:20  Resolved postSane   )
 &rst
  ixpk= 507, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 542,
 &end
#
#    0 AMB  20-2:508     20 TRP  HB3         3.50    (#    508:20  Resolved postSane   )
 &rst
  ixpk= 508, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           20 TRP  HB3         5.00    (#    509:20  Unique         1.98, 2.84 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   30 LEU  HB2          20 TRP  HB3         5.00    (#    510:20  Resolved postSane   )
 &rst
  ixpk= 510, nxpk= 20, iat= 464, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:511     20 TRP  HB3         6.00    (#    511:20  Resolved postSane   )
 &rst
  ixpk= 511, nxpk= 20, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 721, 469, 470, 471,
 &end
#
#   25 CYS  HN           25 CYS  HB+         3.50    (#    512:20  Unique         1.91, 2.45 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:513      0 AMB  20-1:513    3.50    (#    513:20  NMR Lookup Data     )
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 427, 400,
 igr2= 395, 394, 395, 394,
 &end
#
#    0 AMB  20-2:514     25 CYS  HB+         5.00    (#    514:20  Resolved postSane   )
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 435,
 igr2= 395, 394,
 &end
#
#   25 CYS  HA           25 CYS  HB+         3.50    (#    515:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:516      0 AMB  20-1:516    5.00    (#    516:20  Resolved postSane   )
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 404, 405, 404, 405,
 igr2= 395, 394, 395, 394,
 &end
#
#   24 VAL  HB           25 CYS  HB+         6.00    (#    517:20  Unique         4.53, 5.27 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 395, 394,
 &end
#
#    0 AMB  20-2:519     34 CYS  HB3         3.50    (#    519:20  Resolved postSane   )
 &rst
  ixpk= 519, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           34 CYS  HB3         5.00    (#    520:20  Unique         3.18, 3.31 A)
 &rst
  ixpk= 520, nxpk= 20, iat= 532, 526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           34 CYS  HB3         6.00    (#    521:20  Unique         3.97, 4.07 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 462, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:523     34 CYS  HB3         3.50    (#    523:20  NMR Lookup Data     )
 &rst
  ixpk= 523, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 163, 167,
 &end
#
#   11 GLU  HB3          34 CYS  HB3         3.50    (#    524:20  Unique         4.23, 4.36 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 164, 526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HB3          34 CYS  HB3         3.50    (#    525:20  Resolved postSane   )
 &rst
  ixpk= 525, nxpk= 20, iat= 465, 526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:526     34 CYS  HB3         5.00    (#    526:20  NMR Lookup Data     )
 &rst
  ixpk= 526, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 591, 464, 592,
 &end
#
#    0 AMB  20-2:527     34 CYS  HB3         5.00    (#    527:20  Resolved postSane   )
 &rst
  ixpk= 527, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 589, 588,
 &end
#
#   30 LEU  MDY          34 CYS  HB3         3.50    (#    528:20  Unique         2.14, 2.97 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          34 CYS  HB3         5.00    (#    529:20  Unique         2.81, 3.97 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   24 VAL  HN           22 CYS  HA          5.00    (#    534:20  Unique         3.55, 3.60 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 374, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HN           22 CYS  HA          3.50    (#    537:20  Unique         2.82, 2.85 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 350, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           22 CYS  HA          2.70    (#    538:20  Unique         2.07, 2.09 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 360, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:539     22 CYS  HA          6.00    (#    539:20  NMR Lookup Data     )
 &rst
  ixpk= 539, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 346, 444,
 &end
#
#   44 MET  HA           22 CYS  HA          2.70    (#    540:20  Preassigned    2.25, 2.27 A)
 &rst
  ixpk= 540, nxpk= 20, iat= 686, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:541     22 CYS  HA          2.70    (#    541:20  Resolved postSane   )
 &rst
  ixpk= 541, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 691, 355, 354,
 &end
#
#   22 CYS  HB-          22 CYS  HA          3.50    (#    542:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:543     22 CYS  HA          5.00    (#    543:20  Resolved postSane   )
 &rst
  ixpk= 543, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 395, 394, 432,
 &end
#
#   44 MET  HG1          22 CYS  HA          2.70    (#    544:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 692, 352, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           22 CYS  HA          3.50    (#    545:20  Unique         3.77, 4.47 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:546     22 CYS  HA          3.50    (#    546:20  NMR Lookup Data     )
 &rst
  ixpk= 546, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 366, 370,
 &end
#
#   24 VAL  MG1          22 CYS  HA          5.00    (#    547:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   19 ARG  HN           18 THR  HA          5.00    (#    548:20  Unique         2.05, 2.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 285, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 THR  MG2          18 THR  HA          5.00    (#    549:20  Unique         2.50, 3.19 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   24 VAL  HN           25 CYS  HA          6.00    (#    550:20  Unique         5.34, 5.36 A)
 &rst
  ixpk= 550, nxpk= 20, iat= 374, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 CYS  HN           25 CYS  HA          3.50    (#    551:20  Unique         2.80, 2.82 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLU  HN           25 CYS  HA          2.70    (#    552:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 400, 392, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HB+          25 CYS  HA          5.00    (#    554:20  Unique         4.05, 4.86 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          25 CYS  HA          3.50    (#    555:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   25 CYS  HB-          25 CYS  HA          2.70    (#    556:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 395, 394,
 &end
#
#    0 AMB  20-2:557     25 CYS  HA          5.00    (#    557:20  Resolved postSane   )
 &rst
  ixpk= 557, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 408, 407,
 &end
#
#    0 AMB  20-2:558     25 CYS  HA          5.00    (#    558:20  Resolved postSane   )
 &rst
  ixpk= 558, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#   24 VAL  HB           25 CYS  HA          6.00    (#    559:20  Unique         5.21, 5.26 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  MG1          25 CYS  HA          5.00    (#    560:20  Unique         3.69, 4.56 A)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          25 CYS  HA          3.50    (#    561:20  Unique         3.15, 4.15 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  20-2:562     35 TYR  HA          5.00    (#    562:20  Resolved postSane   )
 &rst
  ixpk= 562, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 522, 479,
 &end
#
#   35 TYR  HN           35 TYR  HA          3.50    (#    563:20  Unique         2.76, 2.77 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           35 TYR  HA          6.00    (#    564:20  Unique         3.51, 3.81 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 581, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:565     35 TYR  HA          3.50    (#    565:20  Resolved postSane   )
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 603, 553,
 &end
#
#   35 TYR  HD1          35 TYR  HA          3.50    (#    567:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 567, nxpk= 20, iat= 540, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:568     35 TYR  HA          5.00    (#    568:20  NMR Lookup Data     )
 &rst
  ixpk= 568, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 542, 462, 547,
 &end
#
#    0 AMB  20-2:569     35 TYR  HA          5.00    (#    569:20  NMR Lookup Data     )
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 527, 557, 594,
 &end
#
#   35 TYR  HB2          35 TYR  HA          2.70    (#    570:20  Resolved postSane   )
 &rst
  ixpk= 570, nxpk= 20, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:571     35 TYR  HA          3.50    (#    571:20  Resolved postSane   )
 &rst
  ixpk= 571, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:572     35 TYR  HA          5.00    (#    572:20  NMR Lookup Data     )
 &rst
  ixpk= 572, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          35 TYR  HA          5.00    (#    573:20  Unique         4.38, 4.83 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          35 TYR  HA          2.70    (#    574:20  Unique         2.03, 2.54 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   28 TYR  HB2          25 CYS  HA          5.00    (#    575:20  Unique         4.79, 4.89 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 431, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HN           22 CYS  HB-         6.00    (#    579:20  Unique         3.85, 4.65 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   25 CYS  HN           22 CYS  HB-         5.00    (#    580:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:581     22 CYS  HB-         3.50    (#    581:20  Resolved postSane   )
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 350, 427,
 igr2= 355, 354,
 &end
#
#   23 THR  HN           22 CYS  HB-         6.00    (#    582:20  Unique         3.62, 4.06 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:583     22 CYS  HB-         5.00    (#    583:20  Resolved postSane   )
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 346,
 igr2= 355, 354,
 &end
#
#   28 TYR  HE2          22 CYS  HB-         6.00    (#    584:20  Unique         4.91, 6.10 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   21 HIS  HA           22 CYS  HB-         5.00    (#    585:20  Unique         3.90, 4.63 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   44 MET  HA           22 CYS  HB-         6.00    (#    586:20  Unique         4.95, 5.08 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   22 CYS  HA           22 CYS  HB-         3.50    (#    588:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:590     22 CYS  HB-         3.50    (#    590:20  NMR Lookup Data     )
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 432, 395, 394,
 igr2= 355, 354,
 &end
#
#   44 MET  HG1          22 CYS  HB-         5.00    (#    591:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   44 MET  ME           22 CYS  HB-         5.00    (#    592:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 695, 696, 697,
 igr2= 355, 354,
 &end
#
#   24 VAL  HB           22 CYS  HB-         6.00    (#    593:20  Unique         4.73, 5.50 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   24 VAL  HN           22 CYS  HB+         6.00    (#    594:20  Unique         3.85, 4.65 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   25 CYS  HN           22 CYS  HB+         5.00    (#    595:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    2.70    (#    596:20  Resolved postSane   )
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 350, 427,
 igr2= 355, 354, 355, 354,
 &end
#
#   23 THR  HN           22 CYS  HB+         6.00    (#    597:20  Unique         3.62, 4.06 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    5.00    (#    598:20  Resolved postSane   )
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 444, 346,
 igr2= 355, 354, 355, 354,
 &end
#
#   21 HIS  HA           22 CYS  HB+         6.00    (#    599:20  Unique         3.90, 4.63 A)
 &rst
  ixpk= 599, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   22 CYS  HA           22 CYS  HB+         3.50    (#    600:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#   25 CYS  HA           22 CYS  HB+         6.00    (#    601:20  Resolved postSane   )
 &rst
  ixpk= 601, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:603      0 AMB  20-1:603    3.50    (#    603:20  NMR Lookup Data     )
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 395, 394,
 igr2= 355, 354, 355, 354,
 &end
#
#   44 MET  HG1          22 CYS  HB+         6.00    (#    604:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 354,
 &end
#
#   44 MET  ME           22 CYS  HB+         5.00    (#    605:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 695, 696, 697,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:606     22 CYS  HB+         6.00    (#    606:20  Resolved postSane   )
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 370, 366,
 igr2= 355, 354,
 &end
#
#   24 VAL  HB           22 CYS  HB+         5.00    (#    607:20  Unique         4.73, 5.50 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    7 TYR  HN            6 VAL  HA          2.70    (#    608:20  Unique         1.87, 1.95 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 100,  86, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    6 VAL  HN            6 VAL  HA          3.50    (#    609:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  84,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HD2           6 VAL  HA          5.00    (#    610:20  Resolved postSane   )
 &rst
  ixpk= 610, nxpk= 20, iat= 117,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:611      6 VAL  HA          6.00    (#    611:20  NMR Lookup Data     )
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 115, 110,
 &end
#
#    7 TYR  HA            6 VAL  HA          5.00    (#    612:20  Resolved postSane   )
 &rst
  ixpk= 612, nxpk= 20, iat= 102,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 PHE  HB+           6 VAL  HA          6.00    (#    613:20  Resolved postSane   )
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  68,  69,
 &end
#
#    7 TYR  HB2           6 VAL  HA          5.00    (#    614:20  Unique         3.55, 3.73 A)
 &rst
  ixpk= 614, nxpk= 20, iat= 104,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:615      6 VAL  HA          6.00    (#    615:20  NMR Lookup Data     )
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  32,  33, 105,
 &end
#
#    0 AMB  20-2:616      6 VAL  HA          6.00    (#    616:20  NMR Lookup Data     )
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 244, 263, 296, 264,
 &end
#
#    6 VAL  HB            6 VAL  HA          3.50    (#    617:20  Unique         2.94, 2.99 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:618      6 VAL  HA          3.50    (#    618:20  Resolved postSane   )
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  94,  95,  96,  90,  91,  92,
 &end
#
#   45 VAL  HN           45 VAL  HA          3.50    (#    619:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 619, nxpk= 20, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           45 VAL  HA          3.50    (#    620:20  Unique         3.41, 3.45 A)
 &rst
  ixpk= 620, nxpk= 20, iat= 717, 703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:621     45 VAL  HA          6.00    (#    621:20  NMR Lookup Data     )
 &rst
  ixpk= 621, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 326, 756,
 &end
#
#   47 TRP  HZ2          45 VAL  HA          5.00    (#    622:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 752, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:623     45 VAL  HA          6.00    (#    623:20  Single Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 333, 749,
 &end
#
#   44 MET  HA           45 VAL  HA          5.00    (#    624:20  Unique         4.39, 4.41 A)
 &rst
  ixpk= 624, nxpk= 20, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           45 VAL  HA          6.00    (#    625:20  Unique         5.14, 5.16 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 719, 703, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:626     45 VAL  HA          5.00    (#    626:20  Resolved postSane   )
 &rst
  ixpk= 626, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  HB           45 VAL  HA          2.70    (#    627:20  Unique         2.69, 2.72 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 705, 703, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:628     45 VAL  HA          5.00    (#    628:20  Resolved postSane   )
 &rst
  ixpk= 628, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 366, 370,
 &end
#
#   45 VAL  MG1          45 VAL  HA          2.70    (#    630:20  Unique         2.30, 2.79 A)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 707, 708, 709,
 &end
#
#   46 LYS  HB3          45 VAL  HA          5.00    (#    631:20  Unique         4.53, 4.63 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 722, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ASN  HN            9 CYS  HA          2.70    (#    632:20  Unique         2.31, 2.35 A)
 &rst
  ixpk= 632, nxpk= 20, iat= 145, 137, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    9 CYS  HN            9 CYS  HA          3.50    (#    633:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            9 CYS  HA          6.00    (#    634:20  Unique         4.91, 4.92 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 184, 137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA            9 CYS  HA          3.50    (#    635:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 635, nxpk= 20, iat= 462, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:636      9 CYS  HA          5.00    (#    636:20  NMR Lookup Data     )
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 123, 287,
 &end
#
#    9 CYS  HB3           9 CYS  HA          3.50    (#    638:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 139, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3           9 CYS  HA          5.00    (#    639:20  Unique         5.52, 5.59 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 483, 137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB2           9 CYS  HA          3.50    (#    640:20  Unique         2.36, 2.37 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:641      9 CYS  HA          5.00    (#    641:20  NMR Lookup Data     )
 &rst
  ixpk= 641, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 452, 295,
 &end
#
#   30 LEU  MDY           9 CYS  HA          5.00    (#    642:20  Resolved postSane   )
 &rst
  ixpk= 642, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   16 VAL  MG1           9 CYS  HA          3.50    (#    643:20  Unique         3.72, 4.82 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2           9 CYS  HA          6.00    (#    644:20  Unique         3.14, 4.08 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:645     26 GLU  HA          2.70    (#    645:20  Resolved postSane   )
 &rst
  ixpk= 645, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 415, 400,
 &end
#
#   26 GLU  HG2          26 GLU  HA          2.70    (#    647:20 edited  Resolved postSane   )
 &rst
  ixpk= 647, nxpk= 20, iat= 407, 402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:648     26 GLU  HA          2.70    (#    648:20  Resolved postSane   )
 &rst
  ixpk= 648, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 404, 405, 404, 405,
 &end
#
#   28 TYR  HN           28 TYR  HA          5.00    (#    649:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 427, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HN           28 TYR  HA          2.70    (#    650:20  Unique         2.30, 2.37 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 448, 429, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HD2-         28 TYR  HA          3.50    (#    651:20  Unique         3.44, 3.85 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 154, 155,
 &end
#
#    0 AMB  20-2:652     28 TYR  HA          3.50    (#    652:20  Resolved postSane   )
 &rst
  ixpk= 652, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 435, 444,
 &end
#
#   29 ASP  HA           28 TYR  HA          5.00    (#    653:20  Unique         4.48, 4.51 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 450, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          28 TYR  HA          5.00    (#    654:20  Unique         4.04, 4.62 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   22 CYS  HB-          28 TYR  HA          5.00    (#    655:20  Resolved postSane   )
 &rst
  ixpk= 655, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#    0 AMB  20-2:656     28 TYR  HA          3.50    (#    656:20  Resolved postSane   )
 &rst
  ixpk= 656, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 432, 149, 150,
 &end
#
#   29 ASP  HB3          28 TYR  HA          6.00    (#    657:20  Unique         5.42, 5.56 A)
 &rst
  ixpk= 657, nxpk= 20, iat= 453, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:658     28 TYR  HA          5.00    (#    658:20  NMR Lookup Data     )
 &rst
  ixpk= 658, nxpk= 20, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 149, 150, 404, 405, 404, 405,
 &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#    659:20  Resolved postSane   )
 &rst
  ixpk= 659, nxpk= 20, iat= 159, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HA          3.50    (#    660:20  Resolved postSane   )
 &rst
  ixpk= 660, nxpk= 20, iat= 174, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:661      0 AMB  20-1:661    6.00    (#    661:20  NMR Lookup Data     )
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  84, 184,
 igr2= 258, 161,
 &end
#
#    5 PHE  HB-          17 GLU  HA          5.00    (#    662:20  Unique         2.42, 4.38 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#   10 ASN  HB+          11 GLU  HA          5.00    (#    663:20  Resolved postSane   )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 149, 150,
 &end
#
#   11 GLU  HG2          11 GLU  HA          2.70    (#    664:20  Resolved postSane   )
 &rst
  ixpk= 664, nxpk= 20, iat= 166, 161, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:665     11 GLU  HA          2.70    (#    665:20  NMR Lookup Data     )
 &rst
  ixpk= 665, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 260, 261, 164,
 &end
#
#   17 GLU  HB-          17 GLU  HA          5.00    (#    666:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 260, 261,
 &end
#
#    0 AMB  20-2:667      0 AMB  20-1:667    5.00    (#    667:20  NMR Lookup Data     )
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 194, 195, 800, 801, 800, 801,
 igr2= 161, 258,
 &end
#
#   30 LEU  MDY          11 GLU  HA          3.50    (#    668:20  Unique edited  4.02, 4.56 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   10 ASN  HN           10 ASN  HA          3.50    (#    669:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 669, nxpk= 20, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HN           43 LYS  HA          2.70    (#    670:20  Unique         1.86, 1.89 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 684, 664, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HN           10 ASN  HA          5.00    (#    671:20  Unique         3.41, 3.44 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 159, 147, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HA          3.50    (#    672:20  Unique         2.86, 2.88 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 662, 664, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           13 LYS  HA          5.00    (#    673:20  Unique         4.28, 4.35 A)
 &rst
  ixpk= 673, nxpk= 20, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:675      0 AMB  20-1:675    6.00    (#    675:20  Double Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 645, 462,
 igr2= 664, 147,
 &end
#
#   44 MET  HA           43 LYS  HA          6.00    (#    676:20  Unique         4.35, 4.38 A)
 &rst
  ixpk= 676, nxpk= 20, iat= 686, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 THR  HB           13 LYS  HA          3.50    (#    677:20  Unique         3.37, 3.55 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 125, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:678      0 AMB  20-1:678    5.00    (#    678:20  NMR Lookup Data     )
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 210, 211, 210, 211, 691,
 igr2= 186, 664,
 &end
#
#    0 AMB  20-2:679     10 ASN  HA          5.00    (#    679:20  Resolved postSane   )
 &rst
  ixpk= 679, nxpk= 20, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 197, 198,
 &end
#
#   10 ASN  HB+          10 ASN  HA          3.50    (#    680:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   13 LYS  HB2          13 LYS  HA          3.50    (#    681:20  Resolved postSane   )
 &rst
  ixpk= 681, nxpk= 20, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:682      0 AMB  20-1:682    2.70    (#    682:20  NMR Lookup Data     )
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 189, 666,
 igr2= 186, 664,
 &end
#
#    0 AMB  20-2:683     43 LYS  HA          3.50    (#    683:20  Resolved postSane   )
 &rst
  ixpk= 683, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 667, 673,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    3.50    (#    684:20  NMR Lookup Data     )
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 194, 669, 195,
 igr2= 186, 664, 147,
 &end
#
#   43 LYS  HG+          43 LYS  HA          3.50    (#    685:20  Resolved postSane   )
 &rst
  ixpk= 685, nxpk= 20, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   13 LYS  HG+           0 AMB  20-1:686    5.00    (#    686:20  Single Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 191, 192,
 igr2= 186, 147,
 &end
#
#    8 THR  MG2          13 LYS  HA          3.50    (#    687:20  Unique         3.28, 4.35 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#    5 PHE  HN            5 PHE  HA          5.00    (#    688:20  Unique         2.94, 2.97 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HN            5 PHE  HA          3.50    (#    689:20  Unique         3.32, 3.41 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  84,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:690      5 PHE  HA          6.00    (#    690:20  Resolved postSane   )
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 117, 108,
 &end
#
#    5 PHE  HB+           5 PHE  HA          3.50    (#    691:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  68,  69,
 &end
#
#    5 PHE  HB-           5 PHE  HA          5.00    (#    692:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    0 AMB  20-2:693      5 PHE  HA          5.00    (#    693:20  NMR Lookup Data     )
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 260, 261,  88,
 &end
#
#    6 VAL  MG2           5 PHE  HA          5.00    (#    694:20  Unique         4.97, 6.14 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  94,  95,  96,
 &end
#
#   40 HIS  HN           39 SER  HA          5.00    (#    695:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 614, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           39 SER  HA          5.00    (#    696:20  Unique         2.19, 2.23 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 603, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:697     39 SER  HA          6.00    (#    697:20  Resolved postSane   )
 &rst
  ixpk= 697, nxpk= 20, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#   30 LEU  MDX          39 SER  HA          5.00    (#    699:20  Unique         5.45, 6.09 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   13 LYS  HN           13 LYS  HA          3.50    (#    705:20  Unique         2.22, 2.26 A)
 &rst
  ixpk= 705, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HIS  HN           14 HIS  HA          5.00    (#    706:20  Unique         2.15, 2.21 A)
 &rst
  ixpk= 706, nxpk= 20, iat= 223, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HN           33 ASN  HA          3.50    (#    707:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 707, nxpk= 20, iat= 522, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:708     33 ASN  HA          6.00    (#    708:20  NMR Lookup Data     )
 &rst
  ixpk= 708, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 532, 489,
 &end
#
#   14 HIS  HN           14 HIS  HA          5.00    (#    709:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 709, nxpk= 20, iat= 206, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HN           33 ASN  HA          3.50    (#    710:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HN           33 ASN  HA          5.00    (#    711:20  Unique         3.31, 3.49 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 553, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 ASN  HD2-         33 ASN  HA          5.00    (#    712:20  Unique         3.84, 4.98 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#    0 AMB  20-2:713     14 HIS  HA          5.00    (#    713:20  Resolved postSane   )
 &rst
  ixpk= 713, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  20-2:714     33 ASN  HA          2.70    (#    714:20  NMR Lookup Data     )
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 557, 512, 513, 512, 513,
 &end
#
#   32 ILE  HB           33 ASN  HA          5.00    (#    715:20  Resolved postSane   )
 &rst
  ixpk= 715, nxpk= 20, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HG1+         33 ASN  HA          6.00    (#    716:20  Resolved postSane   )
 &rst
  ixpk= 716, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          33 ASN  HA          3.50    (#    717:20  Unique         3.59, 4.69 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 495, 496, 497,
 &end
#
#   37 THR  MG2          33 ASN  HA          5.00    (#    718:20  Unique         4.08, 5.35 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#    0 AMB  20-2:719     14 HIS  HA          5.00    (#    719:20  NMR Lookup Data     )
 &rst
  ixpk= 719, nxpk= 20, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 127, 128, 129, 246, 247, 248,
 &end
#
#    4 ARG  HN            4 ARG  HA          6.00    (#    720:20  Unique         2.20, 2.40 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  40,  42, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PHE  HN            4 ARG  HA          5.00    (#    721:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  64,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:722      4 ARG  HA          3.50    (#    722:20  Resolved postSane   )
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           4 ARG  HA          3.50    (#    723:20  Unique         2.33, 2.96 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  47,  48,
 &end
#
#   41 THR  HB           40 HIS  HA          5.00    (#    726:20  Resolved postSane   )
 &rst
  ixpk= 726, nxpk= 20, iat= 635, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDX          40 HIS  HA          5.00    (#    727:20  Unique         5.07, 5.63 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   41 THR  MG2          40 HIS  HA          6.00    (#    728:20  Unique         3.86, 5.86 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 637, 638, 639,
 &end
#
#    0 AMB  20-2:729     40 HIS  HA          6.00    (#    729:20  NMR Lookup Data     )
 &rst
  ixpk= 729, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 542, 645,
 &end
#
#    0 AMB  20-2:732     40 HIS  HA          2.70    (#    732:20  Resolved postSane   )
 &rst
  ixpk= 732, nxpk= 20, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 618, 619, 618, 619,
 &end
#
#    8 THR  HN            2 GLN  HA          6.00    (#    736:20  Unique         4.83, 5.05 A)
 &rst
  ixpk= 736, nxpk= 20, iat= 121,  13, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 ASP  HN            2 GLN  HA          5.00    (#    737:20  Unique         2.09, 2.30 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  28,  13, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 SER  HN           38 LYS  HA          3.50    (#    738:20  Unique         3.49, 3.52 A)
 &rst
  ixpk= 738, nxpk= 20, iat= 603, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:741      2 GLN  HA          5.00    (#    741:20  NMR Lookup Data     )
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 108, 117,
 &end
#
#    0 AMB  20-2:742      2 GLN  HA          5.00    (#    742:20  Resolved postSane   )
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 110, 115,
 &end
#
#    7 TYR  HA            2 GLN  HA          3.50    (#    743:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 102,  13, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:744      2 GLN  HA          3.50    (#    744:20  NMR Lookup Data     )
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  32,  33, 105,
 &end
#
#    2 GLN  HB+           2 GLN  HA          2.70    (#    745:20  Resolved postSane   )
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1=  15,  16,
 &end
#
#    6 VAL  MG1           2 GLN  HA          5.00    (#    747:20  Unique         2.53, 4.13 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  90,  91,  92,
 &end
#
#   28 TYR  HN           27 ASP  HA          3.50    (#    748:20  Unique         2.56, 2.73 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 427, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 ASP  HB2          27 ASP  HA          2.70    (#    750:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 750, nxpk= 20, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   27 ASP  HB3          27 ASP  HA          3.50    (#    751:20  Unique         3.04, 3.06 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:752     27 ASP  HA          5.00    (#    752:20  Resolved postSane   )
 &rst
  ixpk= 752, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:753     27 ASP  HA          6.00    (#    753:20  NMR Lookup Data     )
 &rst
  ixpk= 753, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 407, 408,
 &end
#
#   50 GLY  HN            0 AMB  20-1:769    5.00    (#    769:20  Single Ambig)
 &rst
  ixpk= 769, nxpk= 20, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 792, 791,
 &end
#
#   51 LEU  HN            0 AMB  20-1:770    3.50    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 792, 791,
 &end
#
#   52 ASP  HN           50 GLY  HA2         5.00    (#    771:20  Resolved postSane   )
 &rst
  ixpk= 771, nxpk= 20, iat= 815, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:772      0 AMB  20-1:772    3.50    (#    772:20  NMR Lookup Data     )
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 800, 801, 800, 801, 774, 775, 774, 775, 774, 775,
       800, 801,
 igr2= 792, 791,
 &end
#
#    0 AMB  20-2:773      0 AMB  20-1:773    5.00    (#    773:20  NMR Lookup Data     )
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 277, 278, 279, 728,
 igr2= 791, 792,
 &end
#
#    0 AMB  20-2:774      0 AMB  20-1:774    3.50    (#    774:20  NMR Lookup Data     )
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 127, 128, 129, 805, 806, 807,
 igr2=   7, 792,
 &end
#
#    0 AMB  20-2:784      8 THR  HB          6.00    (#    784:20  NMR Lookup Data     )
 &rst
  ixpk= 784, nxpk= 20, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 149, 150, 189,
 &end
#
#    6 VAL  HN            5 PHE  HB+         6.00    (#    789:20  Unique         3.38, 4.02 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#    5 PHE  HD            5 PHE  HB+         3.50    (#    790:20  Unique         2.38, 3.08 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  80,
 igr2=  68,  69,
 &end
#
#    5 PHE  HA            5 PHE  HB+         5.00    (#    791:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  68,  69,
 &end
#
#   36 ASN  HD2-         36 ASN  HB2         5.00    (#    793:20  Unique         2.21, 3.18 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   24 VAL  HN           23 THR  HB          5.00    (#    796:20  Unique         3.26, 3.35 A)
 &rst
  ixpk= 796, nxpk= 20, iat= 374, 364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 THR  HN           23 THR  HB          5.00    (#    797:20  Unique         3.65, 3.68 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:799     23 THR  HB          6.00    (#    799:20  NMR Lookup Data     )
 &rst
  ixpk= 799, nxpk= 20, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 667, 673, 672,
 &end
#
#   23 THR  HG1          23 THR  HB          2.70    (#    800:20  Resolved postSane   )
 &rst
  ixpk= 800, nxpk= 20, iat= 370, 364, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  20-2:801     23 THR  HB          3.50    (#    801:20  NMR Lookup Data     )
 &rst
  ixpk= 801, nxpk= 20, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 707, 708, 709, 711, 712, 713, 380, 381, 382,
 &end
#
#   16 VAL  MG2          17 GLU  HA          5.00    (#    828:20  Unique         4.50, 5.71 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   14 HIS  HD2          14 HIS  HA          5.00    (#    834:20  Unique         2.33, 3.44 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 219, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN           30 LEU  HA          2.70    (#    842:20  Unique         2.24, 2.27 A)
 &rst
  ixpk= 842, nxpk= 20, iat= 479, 462, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 TYR  HN           30 LEU  HA          6.00    (#    843:20  Resolved postSane   )
 &rst
  ixpk= 843, nxpk= 20, iat= 532, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GLU  HN           30 LEU  HA          5.00    (#    844:20  Unique         3.26, 3.30 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 159, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           30 LEU  HA          5.00    (#    847:20  Resolved postSane   )
 &rst
  ixpk= 847, nxpk= 20, iat= 481, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HA           30 LEU  HA          3.50    (#    848:20  Preassigned    2.45, 2.51 A)
 &rst
  ixpk= 848, nxpk= 20, iat= 137, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          30 LEU  HA          6.00    (#    849:20  Resolved postSane   )
 &rst
  ixpk= 849, nxpk= 20, iat= 484, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HB3          30 LEU  HA          6.00    (#    850:20  Unique         4.34, 4.38 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 139, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          30 LEU  HA          5.00    (#    851:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 527, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:852      0 AMB  20-1:852    5.00    (#    852:20  NMR Lookup Data     )
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 140, 314, 536, 313,
 igr2= 462, 547, 542,
 &end
#
#   29 ASP  HB3          30 LEU  HA          5.00    (#    853:20  Resolved postSane   )
 &rst
  ixpk= 853, nxpk= 20, iat= 453, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:854      0 AMB  20-1:854    5.00    (#    854:20  Resolved postSane   )
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 695, 696, 697, 149, 150,
 igr2= 542, 462,
 &end
#
#   30 LEU  HB3          30 LEU  HA          3.50    (#    855:20  Unique         2.55, 2.57 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 465, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HG           30 LEU  HA          3.50    (#    856:20  Resolved postSane   )
 &rst
  ixpk= 856, nxpk= 20, iat= 467, 462, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          30 LEU  HA          3.50    (#    857:20  Unique         2.20, 2.83 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:858      0 AMB  20-1:858    5.00    (#    858:20  Resolved postSane   )
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 469, 470, 471, 721,
 igr2= 462, 542, 547,
 &end
#
#   21 HIS  HN           29 ASP  HA          6.00    (#    859:20  Unique         4.61, 4.64 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 333, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HN           29 ASP  HA          6.00    (#    860:20  Unique         4.20, 4.28 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 145, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           29 ASP  HA          2.70    (#    861:20  Unique         2.31, 2.37 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 460, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HN           29 ASP  HA          3.50    (#    862:20  Unique         2.93, 3.00 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 350, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HN           29 ASP  HA          3.50    (#    863:20  Unique         2.93, 2.95 A)
 &rst
  ixpk= 863, nxpk= 20, iat= 448, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HA          2.70    (#    864:20  Unique         2.10, 2.15 A)
 &rst
  ixpk= 864, nxpk= 20, iat= 335, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   28 TYR  HA           29 ASP  HA          6.00    (#    865:20  Resolved postSane   )
 &rst
  ixpk= 865, nxpk= 20, iat= 429, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HA          6.00    (#    866:20  Unique         5.03, 5.13 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 137, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:867     29 ASP  HA          5.00    (#    867:20  Resolved postSane   )
 &rst
  ixpk= 867, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 337, 338, 355, 354,
 &end
#
#   20 TRP  HB2          29 ASP  HA          5.00    (#    868:20  Resolved postSane   )
 &rst
  ixpk= 868, nxpk= 20, iat= 313, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:869     29 ASP  HA          3.50    (#    869:20  NMR Lookup Data     )
 &rst
  ixpk= 869, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 452, 295, 337, 338,
 &end
#
#   29 ASP  HB3          29 ASP  HA          2.70    (#    870:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 453, 450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           29 ASP  HA          3.50    (#    871:20  Resolved postSane   )
 &rst
  ixpk= 871, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#   30 LEU  HB2          29 ASP  HA          5.00    (#    872:20  Resolved postSane   )
 &rst
  ixpk= 872, nxpk= 20, iat= 464, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:873     29 ASP  HA          5.00    (#    873:20  NMR Lookup Data     )
 &rst
  ixpk= 873, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 467, 289, 290,
 &end
#
#   30 LEU  MDY          29 ASP  HA          5.00    (#    874:20  Unique         5.17, 5.89 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          29 ASP  HA          5.00    (#    875:20  Unique         5.48, 6.11 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   31 CYS  HN           16 VAL  MG1         5.00    (#    930:20  Unique         3.94, 4.77 A)
 &rst
  ixpk= 930, nxpk= 20, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   32 ILE  HN           16 VAL  MG1         5.00    (#    931:20  Unique         5.49, 6.21 A)
 &rst
  ixpk= 931, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:932     16 VAL  MG1         6.00    (#    932:20  NMR Lookup Data     )
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 100, 121,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:933     16 VAL  MG1         3.50    (#    933:20  NMR Lookup Data     )
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 135, 240,
 igr2= 246, 247, 248,
 &end
#
#    0 AMB  20-2:935     16 VAL  MG1         3.50    (#    935:20  NMR Lookup Data     )
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 481,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HA           16 VAL  MG1         5.00    (#    937:20  Unique         3.72, 4.82 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   31 CYS  HB2          16 VAL  MG1         3.50    (#    938:20  Unique         2.10, 2.61 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HB3          16 VAL  MG1         5.00    (#    939:20  Unique         2.36, 3.32 A)
 &rst
  ixpk= 939, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 246, 247, 248,
 &end
#
#   31 CYS  HB3          16 VAL  MG1         3.50    (#    940:20  Unique         2.80, 3.77 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#    9 CYS  HB2          16 VAL  MG1         3.50    (#    941:20  Unique         2.00, 3.01 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#   16 VAL  HB           16 VAL  MG1         3.50    (#    942:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 942, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 246, 247, 248,
 &end
#
#   49 LEU  HA            0 AMB  20-1:944    3.50    (#    944:20 edited  Single Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 779, 780, 781, 805, 806, 807,
 &end
#
#    0 AMB  20-2:945      0 AMB  20-1:945    3.50    (#    945:20  Resolved postSane   )
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 774, 775, 774, 775, 803, 800, 801, 800, 801, 777,
      
 igr2= 779, 780, 781, 805, 806, 807,
 &end
#
#   45 VAL  HN           23 THR  HG21        3.50    (#    949:20  Unique         2.87, 2.94 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 701, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           23 THR  HG21        2.70    (#    950:20  Unique         2.20, 2.24 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          23 THR  HG21        5.00    (#    951:20  Unique         5.04, 5.08 A)
 &rst
  ixpk= 951, nxpk= 20, iat= 346, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HG21        3.50    (#    952:20  Unique         2.70, 2.72 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 686, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:954     23 THR  HG21        3.50    (#    954:20  NMR Lookup Data     )
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 362, 364, 352,
 &end
#
#   44 MET  HG2          23 THR  HG21        6.00    (#    956:20  Resolved postSane   )
 &rst
  ixpk= 956, nxpk= 20, iat= 691, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:957     23 THR  HG21        5.00    (#    957:20  Resolved postSane   )
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 675,
 &end
#
#    0 AMB  20-2:958     23 THR  HG21        5.00    (#    958:20  Resolved postSane   )
 &rst
  ixpk= 958, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  MG2          23 THR  HG21        2.70    (#    959:20  Resolved postSane   )
 &rst
  ixpk= 959, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   47 TRP  HN           18 THR  MG2         5.00    (#    969:20  Resolved postSane   )
 &rst
  ixpk= 969, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   19 ARG  HN           18 THR  MG2         3.50    (#    970:20  Unique         2.45, 3.65 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 277, 278, 279,
 &end
#
#   49 LEU  HN           18 THR  MG2         6.00    (#    971:20  Unique         3.71, 4.78 A)
 &rst
  ixpk= 971, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 277, 278, 279,
 &end
#
#   52 ASP  HN           18 THR  MG2         5.00    (#    972:20  Unique         2.34, 3.93 A)
 &rst
  ixpk= 972, nxpk= 20, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   20 TRP  HZ2          18 THR  MG2         5.00    (#    974:20  Unique         5.38, 6.22 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 277, 278, 279,
 &end
#
#   18 THR  HB           18 THR  MG2         2.70    (#    975:20  Resolved postSane   )
 &rst
  ixpk= 975, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 277, 278, 279,
 &end
#
#    0 AMB  20-2:976     18 THR  MG2         2.70    (#    976:20  NMR Lookup Data     )
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 730, 731,
 igr2= 277, 278, 279,
 &end
#
#   46 LYS  HG+          18 THR  MG2         3.50    (#    977:20  Unique         3.47, 4.41 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 724, 725,
 igr2= 277, 278, 279,
 &end
#
#   46 LYS  HG-          18 THR  MG2         3.50    (#    978:20  Unique         2.80, 3.96 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 724, 725,
 igr2= 277, 278, 279,
 &end
#
#   38 LYS  HN           37 THR  MG2         5.00    (#    979:20  Unique         4.38, 4.95 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:980     37 THR  MG2         5.00    (#    980:20  NMR Lookup Data     )
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 553, 603,
 igr2= 573, 574, 575,
 &end
#
#   37 THR  HN           37 THR  MG2         3.50    (#    981:20  Unique         2.27, 3.34 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 573, 574, 575,
 &end
#
#   33 ASN  HA           37 THR  MG2         5.00    (#    982:20  Unique         4.08, 5.35 A)
 &rst
  ixpk= 982, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:983     37 THR  MG2         2.70    (#    983:20  NMR Lookup Data     )
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 569, 571,
 igr2= 573, 574, 575,
 &end
#
#    0 AMB  20-2:984     37 THR  MG2         3.50    (#    984:20  NMR Lookup Data     )
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 557, 512, 513, 512, 513, 595,
 igr2= 573, 574, 575,
 &end
#
#    8 THR  HN            8 THR  MG2         5.00    (#    985:20  Unique         3.55, 4.41 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    9 CYS  HN            8 THR  MG2         3.50    (#    986:20  Resolved postSane   )
 &rst
  ixpk= 986, nxpk= 20, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HN            8 THR  MG2         5.00    (#    987:20  Unique         4.81, 5.97 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#   15 HIS  HD2           8 THR  MG2         5.00    (#    988:20  Unique         2.85, 4.69 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#   15 HIS  HA            8 THR  MG2         3.50    (#    989:20  Unique         2.36, 3.39 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HA            8 THR  MG2         3.50    (#    990:20  Unique         3.28, 4.35 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#    8 THR  HB            8 THR  MG2         2.70    (#    991:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 991, nxpk= 20, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  20-2:992      8 THR  MG2         5.00    (#    992:20  Resolved postSane   )
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 227, 228, 227, 228,
 igr2= 127, 128, 129,
 &end
#
#   13 LYS  HB3           8 THR  MG2         5.00    (#    995:20  Unique         4.45, 5.28 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    7 TYR  HN            6 VAL  MG1         3.50    (#    999:20  Unique         2.28, 3.39 A)
 &rst
  ixpk= 999, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#    0 AMB  20-2:1000     6 VAL  MG1         5.00    (#   1000:20  NMR Lookup Data     )
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  28, 240,
 igr2=  90,  91,  92,
 &end
#
#   41 THR  HN           41 THR  MG2         5.00    (#   1001:20  Unique         2.07, 4.02 A)
 &rst
  ixpk= 1001, nxpk= 20, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 637, 638, 639,
 &end
#
#    6 VAL  HN            6 VAL  MG1         3.50    (#   1002:20  Unique         3.49, 4.20 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#   15 HIS  HD2           6 VAL  MG1         5.00    (#   1003:20  Unique         1.97, 2.63 A)
 &rst
  ixpk= 1003, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  90,  91,  92,
 &end
#
#   15 HIS  HA            6 VAL  MG1         5.00    (#   1004:20  Unique         3.13, 4.64 A)
 &rst
  ixpk= 1004, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  90,  91,  92,
 &end
#
#    6 VAL  HA            6 VAL  MG1         3.50    (#   1005:20  Unique         2.88, 3.61 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#    0 AMB  20-2:1006     6 VAL  MG1         3.50    (#   1006:20  Resolved postSane   )
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 227, 228, 227, 228,
 igr2=  90,  91,  92,
 &end
#
#    3 ASP  HB-           6 VAL  MG1         5.00    (#   1007:20  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  32,  33,
 igr2=  90,  91,  92,
 &end
#
#    6 VAL  HB            6 VAL  MG1         2.70    (#   1008:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=  90,  91,  92,
 &end
#
#   24 VAL  HN           24 VAL  MG1         2.70    (#   1009:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 380, 381, 382,
 &end
#
#   25 CYS  HN           24 VAL  MG1         3.50    (#   1010:20  Unique         1.72, 2.31 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   43 LYS  HN           24 VAL  MG1         5.00    (#   1011:20  Unique         2.73, 3.81 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 380, 381, 382,
 &end
#
#   46 LYS  HN           45 VAL  MG2         3.50    (#   1012:20  Unique         2.05, 3.08 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   23 THR  HN           24 VAL  MG1         6.00    (#   1013:20  Unique         2.21, 3.08 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HD2          24 VAL  MG1         6.00    (#   1014:20  Unique         4.92, 5.61 A)
 &rst
  ixpk= 1014, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 380, 381, 382,
 &end
#
#   22 CYS  HA           24 VAL  MG1         3.50    (#   1015:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   24 VAL  HA           24 VAL  MG1         3.50    (#   1016:20  Unique         3.63, 3.95 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HB2          24 VAL  MG1         3.50    (#   1017:20  Unique         2.17, 2.77 A)
 &rst
  ixpk= 1017, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   42 HIS  HB3          24 VAL  MG1         3.50    (#   1018:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 380, 381, 382,
 &end
#
#   47 TRP  HE1          45 VAL  MG2         6.00    (#   1020:20  Unique         2.18, 2.82 A)
 &rst
  ixpk= 1020, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 711, 712, 713,
 &end
#
#   45 VAL  HN           45 VAL  MG2         3.50    (#   1021:20  Unique         2.08, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HD1          45 VAL  MG2         5.00    (#   1023:20  Unique         3.67, 4.61 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HZ2          45 VAL  MG2         5.00    (#   1024:20  Unique         2.22, 3.29 A)
 &rst
  ixpk= 1024, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   44 MET  HA           45 VAL  MG2         5.00    (#   1025:20  Unique         3.45, 4.33 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1026    45 VAL  MG2         6.00    (#   1026:20  NMR Lookup Data     )
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 362, 364, 352,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1028    45 VAL  MG2         5.00    (#   1028:20  NMR Lookup Data     )
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 743, 744, 676,
 igr2= 711, 712, 713,
 &end
#
#   45 VAL  HB           45 VAL  MG2         2.70    (#   1029:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 711, 712, 713,
 &end
#
#   23 THR  HG21         45 VAL  MG2         2.70    (#   1030:20  Unique         2.28, 3.39 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  20-2:1031    16 VAL  MG2         5.00    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 309, 460,
 igr2= 250, 251, 252,
 &end
#
#   32 ILE  HN           16 VAL  MG2         6.00    (#   1032:20  Unique         4.67, 5.56 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1033    16 VAL  MG2         5.00    (#   1033:20  Resolved postSane   )
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 100, 121,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1034    16 VAL  MG2         2.70    (#   1034:20  Resolved postSane   )
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 240, 135,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1035    16 VAL  MG2         5.00    (#   1035:20  NMR Lookup Data     )
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 108, 117,
 igr2= 250, 251, 252,
 &end
#
#   15 HIS  HA           16 VAL  MG2         5.00    (#   1036:20  Unique         3.52, 4.65 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1037    16 VAL  MG2         3.50    (#   1037:20  Resolved postSane   )
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 123, 481,
 igr2= 250, 251, 252,
 &end
#
#   17 GLU  HA           16 VAL  MG2         6.00    (#   1038:20  Unique         4.50, 5.71 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#    9 CYS  HA           16 VAL  MG2         6.00    (#   1039:20  Resolved postSane   )
 &rst
  ixpk= 1039, nxpk= 20, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#   31 CYS  HB2          16 VAL  MG2         5.00    (#   1040:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    9 CYS  HB3          16 VAL  MG2         6.00    (#   1041:20  Unique         3.89, 4.69 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 250, 251, 252,
 &end
#
#   31 CYS  HB3          16 VAL  MG2         5.00    (#   1042:20  Unique         3.67, 4.63 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1043    16 VAL  MG2         3.50    (#   1043:20  Resolved postSane   )
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 104, 140,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1044    16 VAL  MG2         2.70    (#   1044:20  NMR Lookup Data     )
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 295, 105,
 igr2= 250, 251, 252,
 &end
#
#   16 VAL  HB           16 VAL  MG2         2.70    (#   1045:20  Resolved postSane   )
 &rst
  ixpk= 1045, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1046    16 VAL  MG2         3.50    (#   1046:20  NMR Lookup Data     )
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289, 290, 289, 290,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1048    44 MET  ME          3.50    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 460, 309,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1049    44 MET  ME          5.00    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 701, 532, 684,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HN           44 MET  ME          3.50    (#   1050:20  Unique         2.87, 3.60 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HN           44 MET  ME          5.00    (#   1051:20  Unique         2.98, 4.12 A)
 &rst
  ixpk= 1051, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1052    44 MET  ME          5.00    (#   1052:20  NMR Lookup Data     )
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 717, 360,
 igr2= 695, 696, 697,
 &end
#
#   40 HIS  HD2          44 MET  ME          5.00    (#   1053:20  Unique         3.95, 4.87 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   28 TYR  HD2          44 MET  ME          3.50    (#   1054:20  Resolved postSane   )
 &rst
  ixpk= 1054, nxpk= 20, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   35 TYR  HD1          44 MET  ME          5.00    (#   1055:20  Unique         2.95, 4.27 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   29 ASP  HA           44 MET  ME          3.50    (#   1056:20  Resolved postSane   )
 &rst
  ixpk= 1056, nxpk= 20, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HA           44 MET  ME          5.00    (#   1057:20  Unique         3.32, 4.00 A)
 &rst
  ixpk= 1057, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   44 MET  HA           44 MET  ME          5.00    (#   1058:20  Unique         4.32, 5.07 A)
 &rst
  ixpk= 1058, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HA           44 MET  ME          3.50    (#   1059:20  Unique         3.77, 4.47 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   35 TYR  HA           44 MET  ME          5.00    (#   1060:20  Resolved postSane   )
 &rst
  ixpk= 1060, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1061    44 MET  ME          2.70    (#   1061:20  NMR Lookup Data     )
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 691, 355, 354, 618, 619,
 igr2= 695, 696, 697,
 &end
#
#   22 CYS  HB-          44 MET  ME          3.50    (#   1062:20  Unique         2.90, 5.07 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 355, 354,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HB2          44 MET  ME          3.50    (#   1063:20  Resolved postSane   )
 &rst
  ixpk= 1063, nxpk= 20, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1064    44 MET  ME          2.70    (#   1064:20  Resolved postSane   )
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 688, 689, 688, 689,
 igr2= 695, 696, 697,
 &end
#
#   30 LEU  MDX          44 MET  ME          3.50    (#   1066:20  Unique         2.70, 4.79 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 695, 696, 697,
 &end
#
#   32 ILE  HN           32 ILE  MG2         5.00    (#   1075:20  Resolved postSane   )
 &rst
  ixpk= 1075, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 495, 496, 497,
 &end
#
#   33 ASN  HN           32 ILE  MG2         3.50    (#   1076:20  Unique         3.74, 4.43 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 495, 496, 497,
 &end
#
#   36 ASN  HD2-         32 ILE  MG2         3.50    (#   1078:20  Resolved postSane   )
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 562, 563,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1079    32 ILE  MG2         3.50    (#   1079:20  NMR Lookup Data     )
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 317,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1080    32 ILE  MG2         5.00    (#   1080:20  NMR Lookup Data     )
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 481,
 igr2= 495, 496, 497,
 &end
#
#   33 ASN  HA           32 ILE  MG2         5.00    (#   1081:20  Unique         3.59, 4.69 A)
 &rst
  ixpk= 1081, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HA           32 ILE  MG2         2.70    (#   1082:20  Unique         2.39, 3.04 A)
 &rst
  ixpk= 1082, nxpk= 20, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1083    32 ILE  MG2         5.00    (#   1083:20  Resolved postSane   )
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 557, 512, 513, 512, 513,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1084    32 ILE  MG2         5.00    (#   1084:20  NMR Lookup Data     )
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 819, 820, 537,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1085    32 ILE  MG2         6.00    (#   1085:20  Resolved postSane   )
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 731, 730,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HB           32 ILE  MG2         2.70    (#   1086:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HG1+         32 ILE  MG2         3.50    (#   1087:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 499, 500,
 igr2= 495, 496, 497,
 &end
#
#   32 ILE  HG1-         32 ILE  MG2         3.50    (#   1088:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 499, 500,
 igr2= 495, 496, 497,
 &end
#
#    0 AMB  20-2:1094    30 LEU  HB3         5.00    (#   1094:20  NMR Lookup Data     )
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 479, 522,
 &end
#
#   35 TYR  HN           30 LEU  HB3         6.00    (#   1095:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 532, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB 20-2:1096     30 LEU  HB3         6.00    (#   1096:20  Resolved postSane   )
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 317, 540,
 &end
#
#   28 TYR  HE2          30 LEU  HB3         6.00    (#   1097:20  Unique         4.94, 5.01 A)
 &rst
  ixpk= 1097, nxpk= 20, iat= 442, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           30 LEU  HB3         3.50    (#   1098:20  Unique         2.55, 2.57 A)
 &rst
  ixpk= 1098, nxpk= 20, iat= 462, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HA           30 LEU  HB3         6.00    (#   1099:20  Unique         2.89, 3.02 A)
 &rst
  ixpk= 1099, nxpk= 20, iat= 534, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HB2          30 LEU  HB3         5.00    (#   1100:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 1100, nxpk= 20, iat= 527, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1101    30 LEU  HB3         3.50    (#   1101:20  NMR Lookup Data     )
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 536, 313,
 &end
#
#   30 LEU  HG           30 LEU  HB3         5.00    (#   1102:20  Resolved postSane   )
 &rst
  ixpk= 1102, nxpk= 20, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDY          30 LEU  HB3         5.00    (#   1104:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HB3         2.70    (#   1105:20  Unique         2.42, 3.09 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:1106    30 LEU  HB2         3.50    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#   35 TYR  HN           30 LEU  HB2         6.00    (#   1107:20  Unique         3.48, 3.56 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 532, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1108    30 LEU  HB2         6.00    (#   1108:20  NMR Lookup Data     )
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 317, 540,
 &end
#
#   28 TYR  HE2          30 LEU  HB2         6.00    (#   1109:20  Unique         4.34, 4.43 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           30 LEU  HB2         3.50    (#   1110:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1110, nxpk= 20, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HA           30 LEU  HB2         5.00    (#   1111:20  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1111, nxpk= 20, iat= 534, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HB2          30 LEU  HB2         5.00    (#   1112:20  Unique         4.59, 4.68 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 527, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1113    30 LEU  HB2         2.70    (#   1113:20  NMR Lookup Data     )
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 536, 313,
 &end
#
#   30 LEU  HG           30 LEU  HB2         3.50    (#   1115:20  Unique         2.46, 2.48 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 467, 464, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          30 LEU  HB2         3.50    (#   1116:20  Unique         3.58, 3.96 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HB2         2.70    (#   1117:20  Unique         2.46, 3.16 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   29 ASP  HB3          30 LEU  HB2         6.00    (#   1118:20  Resolved postSane   )
 &rst
  ixpk= 1118, nxpk= 20, iat= 453, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HE1          32 ILE  MD1         5.00    (#   1119:20  Unique         1.78, 2.41 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HN           32 ILE  MD1         3.50    (#   1120:20  Unique         2.41, 3.41 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   33 ASN  HN           32 ILE  MD1         5.00    (#   1121:20  Unique         5.14, 5.81 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1122    32 ILE  MD1         5.00    (#   1122:20  Resolved postSane   )
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 271, 815,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HH2          32 ILE  MD1         6.00    (#   1123:20  Unique         4.91, 5.97 A)
 &rst
  ixpk= 1123, nxpk= 20, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HZ2          32 ILE  MD1         3.50    (#   1125:20  Unique         2.80, 4.18 A)
 &rst
  ixpk= 1125, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HD1          32 ILE  MD1         5.00    (#   1126:20  Unique         2.22, 3.40 A)
 &rst
  ixpk= 1126, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   19 ARG  HA           32 ILE  MD1         5.00    (#   1127:20  Unique         2.36, 3.30 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#   52 ASP  HA           32 ILE  MD1         5.00    (#   1128:20  Unique         3.13, 4.15 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1129    32 ILE  MD1         3.50    (#   1129:20  NMR Lookup Data     )
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 275, 491,
 igr2= 502, 503, 504,
 &end
#
#   31 CYS  HB3          32 ILE  MD1         6.00    (#   1130:20  Unique         5.35, 6.29 A)
 &rst
  ixpk= 1130, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1131    32 ILE  MD1         6.00    (#   1131:20  NMR Lookup Data     )
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 819, 820, 537, 313,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:1132    32 ILE  MD1         5.00    (#   1132:20  Resolved postSane   )
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 731, 730,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HB           32 ILE  MD1         3.50    (#   1133:20  Unique         3.78, 4.06 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HG1+         32 ILE  MD1         2.70    (#   1134:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 499, 500,
 igr2= 502, 503, 504,
 &end
#
#   32 ILE  HG1-         32 ILE  MD1         2.70    (#   1135:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 499, 500,
 igr2= 502, 503, 504,
 &end
#
#   30 LEU  HN           29 ASP  HB2         3.50    (#   1136:20  Unique         3.36, 3.41 A)
 &rst
  ixpk= 1136, nxpk= 20, iat= 460, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1137    29 ASP  HB2         6.00    (#   1137:20  NMR Lookup Data     )
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 121, 159, 350,
 &end
#
#   29 ASP  HN           29 ASP  HB2         5.00    (#   1138:20  Unique         3.11, 3.18 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HA           29 ASP  HB2         3.50    (#   1139:20  Unique         2.98, 3.02 A)
 &rst
  ixpk= 1139, nxpk= 20, iat= 450, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           29 ASP  HB2         5.00    (#   1140:20  Unique         3.19, 3.33 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 137, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1142    29 ASP  HB2         5.00    (#   1142:20  Resolved postSane   )
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 289, 290, 467,
 &end
#
#   19 ARG  HG+          29 ASP  HB2         5.00    (#   1143:20  Unique         4.96, 5.04 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   16 VAL  MG2          29 ASP  HB2         5.00    (#   1145:20  Unique         5.49, 6.06 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   10 ASN  HN           29 ASP  HB3         6.00    (#   1146:20  Unique         3.67, 3.81 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 145, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           29 ASP  HB3         3.50    (#   1147:20  Unique         2.48, 2.69 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 460, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1148    29 ASP  HB3         6.00    (#   1148:20  Resolved postSane   )
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 350, 121, 342, 159,
 &end
#
#   29 ASP  HN           29 ASP  HB3         5.00    (#   1149:20  Unique         3.92, 3.97 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HA           29 ASP  HB3         3.50    (#   1150:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1150, nxpk= 20, iat= 450, 453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HB3         6.00    (#   1151:20  Unique         2.87, 3.05 A)
 &rst
  ixpk= 1151, nxpk= 20, iat= 335, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HB3         5.00    (#   1152:20  Unique         4.01, 4.20 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 137, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  HB+          29 ASP  HB3         5.00    (#   1154:20  Resolved postSane   )
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 289, 290,
 &end
#
#   19 ARG  HG+          29 ASP  HB3         5.00    (#   1155:20  Unique         3.42, 3.53 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   16 VAL  MG2          29 ASP  HB3         5.00    (#   1157:20  Unique         5.63, 6.14 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   10 ASN  HN           29 ASP  HB2         5.00    (#   1158:20  Unique         2.16, 2.30 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 145, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1159    19 ARG  HD-         6.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 460, 309,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1160    19 ARG  HD-         5.00    (#   1160:20  NMR Lookup Data     )
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 121, 285, 350,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1161    19 ARG  HD-         5.00    (#   1161:20  Resolved postSane   )
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 108, 747,
 igr2= 295, 296,
 &end
#
#    7 TYR  HB2          19 ARG  HD-         5.00    (#   1163:20  Resolved postSane   )
 &rst
  ixpk= 1163, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1164    19 ARG  HD-         2.70    (#   1164:20  NMR Lookup Data     )
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 289, 290, 292,
 igr2= 295, 296,
 &end
#
#   19 ARG  HG+          19 ARG  HD-         5.00    (#   1165:20  Unique         2.25, 2.31 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#   16 VAL  MG2          19 ARG  HD-         5.00    (#   1166:20  Unique         3.97, 4.47 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1167    19 ARG  HD+         6.00    (#   1167:20  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 460, 309,
 igr2= 295, 296,
 &end
#
#    8 THR  HN           19 ARG  HD+         5.00    (#   1168:20  Unique         2.43, 2.72 A)
 &rst
  ixpk= 1168, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1169    19 ARG  HD+         5.00    (#   1169:20  Resolved postSane   )
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 108, 117,
 igr2= 295, 296,
 &end
#
#    7 TYR  HB2          19 ARG  HD+         5.00    (#   1171:20  Unique         2.26, 2.43 A)
 &rst
  ixpk= 1171, nxpk= 20, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#   19 ARG  HG+          19 ARG  HD+         3.50    (#   1174:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#    0 AMB  20-2:1175    19 ARG  HD+         2.70    (#   1175:20  NMR Lookup Data     )
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 289, 290, 292,
 igr2= 295, 296,
 &end
#
#   16 VAL  MG2          19 ARG  HD+         3.50    (#   1176:20  Unique         3.29, 3.57 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 295, 296,
 &end
#
#   49 LEU  HN            0 AMB  20-1:1177   3.50    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 774, 775, 774, 775,
 &end
#
#   51 LEU  HN            0 AMB  20-1:1178   3.50    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 800, 801, 800, 801,
 &end
#
#   52 ASP  HN            0 AMB  20-1:1179   5.00    (#   1179:20  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 20, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 800, 801, 800, 801,
 &end
#
#   49 LEU  HA            0 AMB  20-1:1180   2.70    (#   1180:20  Resolved postSane   )
 &rst
  ixpk= 1180, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 774, 775, 774, 775, 800, 801, 800, 801,
 &end
#
#    0 AMB  20-2:1181     0 AMB  20-1:1181   5.00    (#   1181:20  NMR Lookup Data     )
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
 igr1= 275, 792, 766, 273,  42, 791,
 igr2= 800, 801, 800, 801, 800, 801, 800, 801, 774, 775,
       774, 775, 800, 801, 774, 775, 774, 775, 774, 775,
      
 &end
#
#    5 PHE  HB-           0 AMB  20-1:1182   2.70    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  68,  69,
 igr2= 774, 775, 774, 775,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   2.70    (#   1183:20  NMR Lookup Data     )
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 779, 780, 781, 809, 810, 811, 805, 806, 807, 783,
       784, 785,
 igr2= 774, 775, 774, 775, 800, 801, 800, 801, 800, 801,
       774, 775,
 &end
#
#   10 ASN  HN           10 ASN  HB-         3.50    (#   1184:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1184, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 149, 150,
 &end
#
#   11 GLU  HN           10 ASN  HB-         5.00    (#   1185:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:1186    10 ASN  HB-         3.50    (#   1186:20  NMR Lookup Data     )
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 448, 154, 155,
 igr2= 149, 150,
 &end
#
#   10 ASN  HD2-         10 ASN  HB-         5.00    (#   1187:20  Unique         2.14, 3.34 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 154, 155,
 igr2= 149, 150,
 &end
#
#    0 AMB  20-2:1188    10 ASN  HB-         5.00    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 437, 442,
 igr2= 149, 150,
 &end
#
#   10 ASN  HA           10 ASN  HB-         5.00    (#   1189:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1189, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 149, 150,
 &end
#
#   30 LEU  MDY          10 ASN  HB-         5.00    (#   1191:20  Unique         3.25, 5.07 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 149, 150,
 &end
#
#   21 HIS  HN            0 AMB  20-1:1192   6.00    (#   1192:20  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  HN           44 MET  HB-         3.50    (#   1193:20  Resolved postSane   )
 &rst
  ixpk= 1193, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 688, 689,
 &end
#
#   21 HIS  HD2           0 AMB  20-1:1194   5.00    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#    0 AMB  20-2:1195    44 MET  HB-         5.00    (#   1195:20  NMR Lookup Data     )
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 542, 645, 547,
 igr2= 688, 689,
 &end
#
#   44 MET  HA            0 AMB  20-1:1196   3.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 688, 689, 688, 689,
 &end
#
#   22 CYS  HA            0 AMB  20-1:1197   5.00    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#   43 LYS  HA            0 AMB  20-1:1198   5.00    (#   1198:20  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  HG2           0 AMB  20-1:1199   2.70    (#   1199:20  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 20, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 688, 689, 688, 689,
 &end
#
#   20 TRP  HB3           0 AMB  20-1:1200   3.50    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 688, 689, 688, 689,
 &end
#
#   44 MET  ME            0 AMB  20-1:1201   2.70    (#   1201:20  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 695, 696, 697,
 igr2= 688, 689, 688, 689,
 &end
#
#   20 TRP  HE1          32 ILE  HB          6.00    (#   1202:20  Unique         3.82, 3.92 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 319, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ILE  HN           32 ILE  HB          3.50    (#   1203:20  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           32 ILE  HB          3.50    (#   1204:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 508, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1205    32 ILE  HB          5.00    (#   1205:20  Resolved postSane   )
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 562, 563, 322,
 &end
#
#   20 TRP  HD1          32 ILE  HB          6.00    (#   1206:20  Resolved postSane   )
 &rst
  ixpk= 1206, nxpk= 20, iat= 317, 493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1207    32 ILE  HB          5.00    (#   1207:20  Resolved postSane   )
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 481, 287,
 &end
#
#   32 ILE  HA           32 ILE  HB          3.50    (#   1208:20  Unique         2.93, 2.96 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 491, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1209    32 ILE  HB          5.00    (#   1209:20  NMR Lookup Data     )
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 512, 513, 512, 513, 483,
 &end
#
#   32 ILE  HG1-         32 ILE  HB          3.50    (#   1211:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HB          2.70    (#   1212:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          32 ILE  HB          3.50    (#   1213:20  Resolved postSane   )
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   17 GLU  HN           17 GLU  HG2         6.00    (#   1221:20  Unique         2.01, 2.24 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 THR  HN            0 AMB  20-1:1222   5.00    (#   1222:20  Single Ambig)
 &rst
  ixpk= 1222, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 263, 264,
 &end
#
#    0 AMB  20-2:1225     0 AMB  20-1:1225   6.00    (#   1225:20  NMR Lookup Data     )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 483,  68,  69,
 igr2= 263, 264,
 &end
#
#   17 GLU  HB-           0 AMB  20-1:1226   2.70    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 260, 261,
 igr2= 264, 263,
 &end
#
#   51 LEU  MDY           0 AMB  20-1:1227   3.50    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 805, 806, 807, 809, 810, 811,
 igr2= 264, 263,
 &end
#
#    6 VAL  MG2           0 AMB  20-1:1228   5.00    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  94,  95,  96,
 igr2= 263, 264,
 &end
#
#   11 GLU  HN            0 AMB  20-1:1229   5.00    (#   1229:20  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 20, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1230     0 AMB  20-1:1230   5.00    (#   1230:20  NMR Lookup Data     )
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 240, 174,
 igr2= 244, 166, 167,
 &end
#
#   31 CYS  HA           16 VAL  HB          5.00    (#   1232:20  Resolved postSane   )
 &rst
  ixpk= 1232, nxpk= 20, iat= 481, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HA            0 AMB  20-1:1233   3.50    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   31 CYS  HB3          16 VAL  HB          3.50    (#   1234:20  Unique         2.72, 3.01 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 483, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1235     0 AMB  20-1:1235   5.00    (#   1235:20  Resolved postSane   )
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 149, 150, 149, 150,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1236     0 AMB  20-1:1236   6.00    (#   1236:20  Resolved postSane   )
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 585, 586, 585, 586, 585, 586,
 igr2= 167, 166,
 &end
#
#   38 LYS  HD-          11 GLU  HG1         5.00    (#   1237:20  Resolved postSane   )
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:1238     0 AMB  20-1:1238   3.50    (#   1238:20  Resolved postSane   )
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 589, 588,
 igr2= 167, 166,
 &end
#
#   30 LEU  MDY           0 AMB  20-1:1239   2.70    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 167, 166,
 &end
#
#   16 VAL  MG1          16 VAL  HB          2.70    (#   1240:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HB          3.50    (#   1241:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1255    45 VAL  HB          5.00    (#   1255:20  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 749, 333,
 &end
#
#   45 VAL  HN           45 VAL  HB          3.50    (#   1256:20  Unique         3.49, 3.50 A)
 &rst
  ixpk= 1256, nxpk= 20, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           45 VAL  HB          3.50    (#   1257:20  Unique         2.72, 2.76 A)
 &rst
  ixpk= 1257, nxpk= 20, iat= 717, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HD1          45 VAL  HB          5.00    (#   1258:20  Unique         4.89, 5.01 A)
 &rst
  ixpk= 1258, nxpk= 20, iat= 747, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           45 VAL  HB          6.00    (#   1259:20  Unique         5.56, 5.60 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 686, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 VAL  HA           45 VAL  HB          3.50    (#   1260:20  Unique         2.69, 2.72 A)
 &rst
  ixpk= 1260, nxpk= 20, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HB+          45 VAL  HB          6.00    (#   1261:20  Unique         4.10, 5.03 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 337, 338,
 &end
#
#   23 THR  HG21         45 VAL  HB          5.00    (#   1262:20  Unique         4.85, 4.89 A)
 &rst
  ixpk= 1262, nxpk= 20, iat= 366, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  MG2          45 VAL  HB          2.70    (#   1263:20  Resolved postSane   )
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   24 VAL  HN           24 VAL  HB          2.70    (#   1264:20  Unique         1.97, 2.03 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HN           24 VAL  HB          3.50    (#   1265:20  Unique         3.19, 3.23 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 390, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           24 VAL  HB          6.00    (#   1266:20  Unique         3.37, 3.42 A)
 &rst
  ixpk= 1266, nxpk= 20, iat= 360, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HA           24 VAL  HB          3.50    (#   1267:20  Unique         2.31, 2.33 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          24 VAL  HB          5.00    (#   1268:20  Unique         3.94, 4.08 A)
 &rst
  ixpk= 1268, nxpk= 20, iat= 649, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HB3          24 VAL  HB          3.50    (#   1269:20  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1269, nxpk= 20, iat= 650, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HG1          24 VAL  HB          5.00    (#   1270:20  Unique edited  5.04, 5.09 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 692, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MG1          24 VAL  HB          2.70    (#   1271:20  Unique         1.98, 2.43 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          24 VAL  HB          2.70    (#   1272:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 384, 385, 386,
 &end
#
#    7 TYR  HN            6 VAL  HB          5.00    (#   1289:20  Unique         3.93, 4.11 A)
 &rst
  ixpk= 1289, nxpk= 20, iat= 100,  88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HN            6 VAL  HB          3.50    (#   1290:20  Unique         1.87, 1.96 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  84,  88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HE            6 VAL  HB          5.00    (#   1291:20  Unique         2.99, 5.23 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  74,  78,
 &end
#
#    5 PHE  HD            6 VAL  HB          6.00    (#   1292:20  Unique         2.65, 4.79 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  72,  80,
 &end
#
#    0 AMB  20-2:1294     6 VAL  HB          5.00    (#   1294:20  Resolved postSane   )
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  13,  66,
 &end
#
#    0 AMB  20-2:1295     6 VAL  HB          6.00    (#   1295:20  NMR Lookup Data     )
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  50,  51, 227, 228, 227, 228,
 &end
#
#    3 ASP  HB-           6 VAL  HB          5.00    (#   1296:20  Unique         2.05, 2.90 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  32,  33,
 &end
#
#    6 VAL  MG2           6 VAL  HB          2.70    (#   1297:20  Resolved postSane   )
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1=  94,  95,  96,
 &end
#
#   44 MET  HN           44 MET  HG1         3.50    (#   1298:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 1298, nxpk= 20, iat= 684, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HN           44 MET  HG1         5.00    (#   1299:20  Unique         3.78, 3.84 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 360, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HN           44 MET  HG1         6.00    (#   1300:20  Unique         4.35, 4.40 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 350, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 HIS  HD2          44 MET  HG1         6.00    (#   1301:20  Unique         4.09, 4.32 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 627, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          44 MET  HG1         6.00    (#   1302:20  Unique         6.15, 6.18 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 346, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1303    44 MET  HG1         5.00    (#   1303:20  Resolved postSane   )
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HG1         3.50    (#   1304:20  Unique         2.56, 2.61 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 686, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           44 MET  HG1         3.50    (#   1305:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 352, 692, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB-          44 MET  HG1         5.00    (#   1307:20  Unique         4.30, 4.67 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   44 MET  ME           44 MET  HG1         3.50    (#   1308:20  Unique         3.53, 3.91 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  20-2:1309    44 MET  HG1         5.00    (#   1309:20  Resolved postSane   )
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 370, 366,
 &end
#
#    0 AMB  20-2:1310    44 MET  HG1         6.00    (#   1310:20  NMR Lookup Data     )
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 721,
 &end
#
#    0 AMB  20-2:1311     0 AMB  20-1:1311   5.00    (#   1311:20  Double Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 309, 460,
 igr2= 289, 290, 289, 290,
 &end
#
#   19 ARG  HN           19 ARG  HB+         6.00    (#   1312:20  Resolved postSane   )
 &rst
  ixpk= 1312, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1313     0 AMB  20-1:1313   3.50    (#   1313:20  Resolved postSane   )
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 287, 481,
 igr2= 289, 290, 289, 290,
 &end
#
#    0 AMB  20-2:1314     0 AMB  20-1:1314   6.00    (#   1314:20  NMR Lookup Data     )
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 104, 313,
 igr2= 289, 290, 289, 290,
 &end
#
#   19 ARG  HD-          19 ARG  HB+         3.50    (#   1315:20  Unique         2.10, 2.57 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD+          19 ARG  HB+         3.50    (#   1316:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   16 VAL  MG2          19 ARG  HB+         3.50    (#   1317:20  Unique         2.17, 3.33 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1318    19 ARG  HB-         3.50    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 309, 460,
 igr2= 289, 290,
 &end
#
#   19 ARG  HN           19 ARG  HB-         5.00    (#   1319:20  Resolved postSane   )
 &rst
  ixpk= 1319, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1320    19 ARG  HB-         3.50    (#   1320:20  Resolved postSane   )
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 287, 481,
 igr2= 289, 290,
 &end
#
#    0 AMB  20-2:1321    19 ARG  HB-         5.00    (#   1321:20  NMR Lookup Data     )
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 313,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD-          19 ARG  HB-         3.50    (#   1322:20  Unique         2.10, 2.57 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   19 ARG  HD+          19 ARG  HB-         3.50    (#   1323:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#   16 VAL  MG2          19 ARG  HB-         3.50    (#   1324:20  Unique         2.17, 3.33 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252,
 igr2= 289, 290,
 &end
#
#   44 MET  HN           43 LYS  HB2         5.00    (#   1325:20  Unique         4.16, 4.20 A)
 &rst
  ixpk= 1325, nxpk= 20, iat= 684, 666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HB2         3.50    (#   1326:20  Unique         2.48, 2.54 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 662, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HA           43 LYS  HB2         3.50    (#   1327:20  Unique         2.43, 2.48 A)
 &rst
  ixpk= 1327, nxpk= 20, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1328    43 LYS  HB2         5.00    (#   1328:20  NMR Lookup Data     )
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 675, 676,
 &end
#
#   43 LYS  HG+          43 LYS  HB2         2.70    (#   1329:20  Unique         2.35, 2.37 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 669, 670,
 &end
#
#   24 VAL  MG1          43 LYS  HB2         5.00    (#   1330:20  Unique         4.67, 5.73 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   44 MET  HN           43 LYS  HB3         5.00    (#   1331:20  Unique         3.99, 4.05 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 684, 667, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HN           43 LYS  HB3         3.50    (#   1332:20  Unique         2.66, 2.73 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 662, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 LYS  HA           43 LYS  HB3         3.50    (#   1333:20  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1333, nxpk= 20, iat= 664, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1334    43 LYS  HB3         3.50    (#   1334:20  NMR Lookup Data     )
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 676,
 &end
#
#    0 AMB  20-2:1335    43 LYS  HB3         3.50    (#   1335:20  Resolved postSane   )
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 370, 670,
 &end
#
#   24 VAL  MG1          43 LYS  HB3         5.00    (#   1336:20  Unique         3.73, 4.68 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#   47 TRP  HN           46 LYS  HB2         5.00    (#   1347:20  Unique         3.62, 3.65 A)
 &rst
  ixpk= 1347, nxpk= 20, iat= 739, 721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HN           46 LYS  HB2         3.50    (#   1348:20  Unique         3.23, 3.28 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HE+          46 LYS  HB2         5.00    (#   1350:20  Resolved postSane   )
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   46 LYS  HG-          46 LYS  HB2         3.50    (#   1351:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HB2         3.50    (#   1352:20  Unique         2.12, 2.19 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HN           46 LYS  HB3         5.00    (#   1361:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1361, nxpk= 20, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           46 LYS  HB3         6.00    (#   1362:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1362, nxpk= 20, iat= 719, 722, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 LYS  HG-          46 LYS  HB3         5.00    (#   1364:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HB3         5.00    (#   1365:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   11 GLU  HN           11 GLU  HB2         5.00    (#   1369:20  Unique         2.46, 2.50 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HN           11 GLU  HB2         3.50    (#   1370:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 174, 163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           11 GLU  HB2         6.00    (#   1371:20  Unique         4.83, 4.88 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 184, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 GLU  HA           11 GLU  HB2         3.50    (#   1372:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB2          11 GLU  HB2         5.00    (#   1373:20  Resolved postSane   )
 &rst
  ixpk= 1373, nxpk= 20, iat= 527, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HB-          11 GLU  HB2         5.00    (#   1375:20 edited  Resolved postSane   )
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 178,
 &end
#
#    0 AMB  20-2:1376    11 GLU  HB2         6.00    (#   1376:20  NMR Lookup Data     )
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 591, 592, 194, 195,
 &end
#
#    0 AMB  20-2:1377    11 GLU  HB2         5.00    (#   1377:20  NMR Lookup Data     )
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 589, 467, 588,
 &end
#
#   30 LEU  MDY          11 GLU  HB2         3.50    (#   1378:20  Unique         2.57, 2.77 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   11 GLU  HN           11 GLU  HB3         3.50    (#   1379:20  Unique         3.70, 3.74 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HB3         3.50    (#   1380:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 1380, nxpk= 20, iat= 174, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HN           17 GLU  HB+         5.00    (#   1381:20  Unique         1.88, 3.20 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 260, 261,
 &end
#
#    0 AMB  20-2:1382     0 AMB  20-1:1382   3.50    (#   1382:20  NMR Lookup Data     )
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 258, 161,
 igr2= 260, 261, 164,
 &end
#
#    5 PHE  HB+          17 GLU  HB+         5.00    (#   1383:20  Unique         3.00, 4.97 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  68,  69,
 igr2= 260, 261,
 &end
#
#   34 CYS  HB3          11 GLU  HB3         3.50    (#   1384:20  Unique         4.23, 4.36 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 526, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   5.00    (#   1387:20  Resolved postSane   )
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
 igr1= 800, 801, 800, 801, 591,
 igr2= 260, 261, 260, 261, 164,
 &end
#
#    0 AMB  20-2:1388    11 GLU  HB3         6.00    (#   1388:20  Resolved postSane   )
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 589, 588,
 &end
#
#   30 LEU  MDY          11 GLU  HB3         3.50    (#   1389:20  Unique         3.91, 4.15 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  20-2:1390     0 AMB  20-1:1390   6.00    (#   1390:20  NMR Lookup Data     )
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 277, 278, 279, 469, 470, 471,
 igr2= 260, 261, 164,
 &end
#
#   26 GLU  HN            0 AMB  20-1:1391   3.50    (#   1391:20  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1392     0 AMB  20-1:1392   5.00    (#   1392:20  NMR Lookup Data     )
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 429, 417,
 igr2= 404, 405, 404, 405, 404, 405,
 &end
#
#   26 GLU  HA            0 AMB  20-1:1393   2.70    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 404, 405, 404, 405,
 &end
#
#   25 CYS  HB+          26 GLU  HB-         5.00    (#   1394:20  Resolved postSane   )
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 395, 394,
 igr2= 404, 405,
 &end
#
#   27 ASP  HB2           0 AMB  20-1:1395   5.00    (#   1395:20  Resolved postSane   )
 &rst
  ixpk= 1395, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1396     0 AMB  20-1:1396   2.70    (#   1396:20  NMR Lookup Data     )
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 407, 408,
 igr2= 404, 405, 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1397     2 GLN  HB+         5.00    (#   1397:20  NMR Lookup Data     )
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  23,  24, 110,
 igr2=  15,  16,
 &end
#
#    2 GLN  HA            2 GLN  HB+         5.00    (#   1398:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  15,  16,
 &end
#
#    0 AMB  20-2:1399     2 GLN  HB-         5.00    (#   1399:20  NMR Lookup Data     )
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  23,  24, 110,
 igr2=  15,  16,
 &end
#
#    2 GLN  HA            2 GLN  HB-         5.00    (#   1400:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  15,  16,
 &end
#
#    5 PHE  HN            0 AMB  20-1:1407   6.00    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  44,  45,  44,  45,
 &end
#
#    4 ARG  HA            0 AMB  20-1:1408   5.00    (#   1408:20  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  44,  45,  44,  45,
 &end
#
#    0 AMB  20-2:1409     0 AMB  20-1:1409   3.50    (#   1409:20  NMR Lookup Data     )
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  50,  51,
 igr2=  44,  45,  44,  45,  44,  45,
 &end
#
#    0 AMB  20-2:1413     0 AMB  20-1:1413   5.00    (#   1413:20  NMR Lookup Data     )
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 719, 766,
 igr2= 728, 727,
 &end
#
#   46 LYS  HB3           0 AMB  20-1:1417   2.70    (#   1417:20  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 727, 728,
 &end
#
#   46 LYS  HG+           0 AMB  20-1:1419   5.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 724, 725,
 igr2= 727, 728,
 &end
#
#   20 TRP  HE1           0 AMB  20-1:1420   6.00    (#   1420:20  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 727, 728,
 &end
#
#   49 LEU  HN           46 LYS  HD+         5.00    (#   1421:20 edited  Resolved postSane   )
 &rst
  ixpk= 1421, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 727, 728,
 &end
#
#   20 TRP  HH2          46 LYS  HD-         5.00    (#   1422:20  Unique         2.71, 2.93 A)
 &rst
  ixpk= 1422, nxpk= 20, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 727, 728,
 &end
#
#   20 TRP  HZ2           0 AMB  20-1:1424   6.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:1426     0 AMB  20-1:1426   6.00    (#   1426:20  Resolved postSane   )
 &rst
  ixpk= 1426, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 728, 727,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   3.50    (#   1427:20  NMR Lookup Data     )
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 730, 731,
 igr2= 728, 727,
 &end
#
#   46 LYS  HG-           0 AMB  20-1:1428   2.70    (#   1428:20  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 724, 725,
 igr2= 728, 727,
 &end
#
#   13 LYS  HN           13 LYS  HB2         5.00    (#   1429:20  Unique         3.62, 3.76 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           13 LYS  HB2         3.50    (#   1430:20  Unique         3.01, 3.04 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 186, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HD+          13 LYS  HB2         5.00    (#   1432:20  Resolved postSane   )
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 194, 195,
 &end
#
#   13 LYS  HG-          13 LYS  HB2         3.50    (#   1433:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HB2         6.00    (#   1434:20  Unique         5.51, 6.28 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 127, 128, 129,
 &end
#
#   13 LYS  HN           13 LYS  HB3         5.00    (#   1435:20  Unique         4.04, 4.10 A)
 &rst
  ixpk= 1435, nxpk= 20, iat= 184, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           13 LYS  HB3         3.50    (#   1436:20  Unique         2.33, 2.43 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 186, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1438    13 LYS  HB3         5.00    (#   1438:20  NMR Lookup Data     )
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 194, 195,
 &end
#
#   13 LYS  HG-          13 LYS  HB3         5.00    (#   1439:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HB3         6.00    (#   1440:20  Unique         4.45, 5.28 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 127, 128, 129,
 &end
#
#   20 TRP  HE1          32 ILE  HG1+        6.00    (#   1441:20  Unique         3.24, 3.64 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   32 ILE  HN           32 ILE  HG1+        3.50    (#   1442:20  Unique         1.93, 2.81 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   33 ASN  HN           32 ILE  HG1+        5.00    (#   1443:20  Unique         3.90, 4.42 A)
 &rst
  ixpk= 1443, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   18 THR  HN           32 ILE  HG1+        5.00    (#   1444:20  Unique         4.04, 4.91 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   20 TRP  HD1          32 ILE  HG1+        5.00    (#   1445:20  Resolved postSane   )
 &rst
  ixpk= 1445, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1446    32 ILE  HG1+        6.00    (#   1446:20  NMR Lookup Data     )
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 287, 481,
 igr2= 499, 500,
 &end
#
#   33 ASN  HA           32 ILE  HG1+        6.00    (#   1447:20  Unique         6.19, 6.36 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   18 THR  HB           32 ILE  HG1+        3.50    (#   1449:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 1449, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1450     0 AMB  20-1:1450   3.50    (#   1450:20  Resolved postSane   )
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 198, 197,
 igr2= 194, 195,
 &end
#
#   20 TRP  HE1          32 ILE  HG1-        5.00    (#   1451:20  Unique         3.24, 3.64 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 499, 500,
 &end
#
#   32 ILE  HN           32 ILE  HG1-        3.50    (#   1452:20  Unique         1.93, 2.81 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   33 ASN  HN           32 ILE  HG1-        6.00    (#   1453:20  Unique         3.90, 4.42 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   20 TRP  HD1          32 ILE  HG1-        6.00    (#   1454:20  Resolved postSane   )
 &rst
  ixpk= 1454, nxpk= 20, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:1455    32 ILE  HG1-        6.00    (#   1455:20  NMR Lookup Data     )
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 287, 481,
 igr2= 499, 500,
 &end
#
#   18 THR  HB           32 ILE  HG1-        3.50    (#   1456:20  Unique         2.20, 2.86 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   31 CYS  HB3          32 ILE  HG1-        6.00    (#   1457:20  Resolved postSane   )
 &rst
  ixpk= 1457, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 499, 500,
 &end
#
#   32 ILE  HB           32 ILE  HG1-        3.50    (#   1458:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HG1-        3.50    (#   1460:20  Resolved postSane   )
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 502, 503, 504,
 igr2= 499, 500,
 &end
#
#   30 LEU  HN           30 LEU  HG          5.00    (#   1471:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 460, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 TYR  HE2          30 LEU  HG          5.00    (#   1472:20  Unique         2.23, 2.32 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 442, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           30 LEU  HG          5.00    (#   1473:20  Unique         3.04, 3.07 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 462, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1474    30 LEU  HG          5.00    (#   1474:20  NMR Lookup Data     )
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 313, 314,
 &end
#
#   44 MET  ME           30 LEU  HG          5.00    (#   1475:20  Resolved postSane   )
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   49 LEU  HN           49 LEU  HG          5.00    (#   1476:20  Unique         2.16, 2.80 A)
 &rst
  ixpk= 1476, nxpk= 20, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HN           49 LEU  HG          6.00    (#   1477:20  Unique         2.72, 3.56 A)
 &rst
  ixpk= 1477, nxpk= 20, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HD2          49 LEU  HG          6.00    (#   1478:20  Unique         5.78, 6.09 A)
 &rst
  ixpk= 1478, nxpk= 20, iat= 117, 777, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HA           49 LEU  HG          3.50    (#   1479:20  Unique         3.21, 3.40 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 772, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1480    49 LEU  HG          6.00    (#   1480:20  Resolved postSane   )
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 766,  42,
 &end
#
#   30 LEU  MDX          30 LEU  HG          2.70    (#   1481:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    4 ARG  HA            0 AMB  20-1:1484   3.50    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  48,  47,
 &end
#
#    0 AMB  20-2:1485     0 AMB  20-1:1485   2.70    (#   1485:20  NMR Lookup Data     )
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=  50, 743, 744,  51,
 igr2=  48, 292,
 &end
#
#    0 AMB  20-2:1486    19 ARG  HG-         5.00    (#   1486:20  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 309, 460,
 igr2= 292, 293,
 &end
#
#   19 ARG  HN           19 ARG  HG-         5.00    (#   1487:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   19 ARG  HA           19 ARG  HG-         5.00    (#   1489:20  Resolved postSane   )
 &rst
  ixpk= 1489, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB+          19 ARG  HG-         5.00    (#   1490:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB-          19 ARG  HG-         5.00    (#   1491:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#    0 AMB  20-2:1492    19 ARG  HG-         3.50    (#   1492:20  NMR Lookup Data     )
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 105, 295,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD+          19 ARG  HG-         3.50    (#   1493:20  Unique         2.51, 2.57 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   16 VAL  MG2          19 ARG  HG-         5.00    (#   1494:20  Unique         4.07, 4.89 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 292, 293,
 &end
#
#    0 AMB  20-2:1495    19 ARG  HG+         6.00    (#   1495:20  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 309, 460,
 igr2= 292, 293,
 &end
#
#   19 ARG  HN           19 ARG  HG+         5.00    (#   1496:20  Resolved postSane   )
 &rst
  ixpk= 1496, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   19 ARG  HA           19 ARG  HG+         5.00    (#   1498:20  Resolved postSane   )
 &rst
  ixpk= 1498, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB+          19 ARG  HG+         5.00    (#   1499:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   47 TRP  HB-          19 ARG  HG+         5.00    (#   1500:20  Resolved postSane   )
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 743, 744,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD-          19 ARG  HG+         3.50    (#   1501:20  Resolved postSane   )
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   19 ARG  HD+          19 ARG  HG+         3.50    (#   1502:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   16 VAL  MG2          19 ARG  HG+         5.00    (#   1503:20  Unique         5.12, 5.57 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 250, 251, 252,
 igr2= 292, 293,
 &end
#
#   44 MET  HN           43 LYS  HG-         5.00    (#   1516:20  Unique         2.95, 3.04 A)
 &rst
  ixpk= 1516, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HN           43 LYS  HG-         5.00    (#   1517:20  Unique         4.54, 4.59 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HA           43 LYS  HG-         3.50    (#   1518:20  Unique         2.64, 2.72 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1519    43 LYS  HG-         3.50    (#   1519:20  Resolved postSane   )
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 676, 675,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1520    43 LYS  HG-         2.70    (#   1520:20  NMR Lookup Data     )
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 672, 667, 673,
 igr2= 669, 670,
 &end
#
#   44 MET  HN           43 LYS  HG+         5.00    (#   1522:20  Resolved postSane   )
 &rst
  ixpk= 1522, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   43 LYS  HN           43 LYS  HG+         5.00    (#   1523:20  Resolved postSane   )
 &rst
  ixpk= 1523, nxpk= 20, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:1524     0 AMB  20-1:1524   3.50    (#   1524:20  NMR Lookup Data     )
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 583,
 &end
#
#    0 AMB  20-2:1525    38 LYS  HG-         3.50    (#   1525:20  Resolved postSane   )
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 594,
 igr2= 588, 589,
 &end
#
#    0 AMB  20-2:1526     0 AMB  20-1:1526   2.70    (#   1526:20  Resolved postSane   )
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 585, 586, 585, 586, 672, 673, 585, 586,
 igr2= 589, 670, 588,
 &end
#
#   38 LYS  HN           38 LYS  HG-         3.50    (#   1533:20  Unique         1.89, 2.21 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 588, 589,
 &end
#
#   47 TRP  HN           46 LYS  HG-         5.00    (#   1554:20  Unique         2.21, 2.34 A)
 &rst
  ixpk= 1554, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1555    46 LYS  HG-         5.00    (#   1555:20  Resolved postSane   )
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 717, 770,
 igr2= 724, 725,
 &end
#
#   46 LYS  HA           46 LYS  HG-         3.50    (#   1556:20  Resolved postSane   )
 &rst
  ixpk= 1556, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1557    46 LYS  HG-         3.50    (#   1557:20  NMR Lookup Data     )
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 730, 731,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1558    46 LYS  HG-         2.70    (#   1558:20  NMR Lookup Data     )
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 728, 277, 278, 279, 721, 727,
 igr2= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HG-         5.00    (#   1560:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   47 TRP  HN           46 LYS  HG+         5.00    (#   1561:20  Unique         3.40, 3.52 A)
 &rst
  ixpk= 1561, nxpk= 20, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   46 LYS  HN           46 LYS  HG+         5.00    (#   1562:20  Unique         5.04, 5.06 A)
 &rst
  ixpk= 1562, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#   46 LYS  HA           46 LYS  HG+         3.50    (#   1563:20  Resolved postSane   )
 &rst
  ixpk= 1563, nxpk= 20, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1564    46 LYS  HG+         3.50    (#   1564:20  Resolved postSane   )
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 731, 730,
 igr2= 724, 725,
 &end
#
#    0 AMB  20-2:1565    46 LYS  HG+         2.70    (#   1565:20  NMR Lookup Data     )
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 721, 727, 728,
 igr2= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HG+         3.50    (#   1567:20  Unique         2.78, 2.86 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 724, 725,
 &end
#
#    7 TYR  HB3           8 THR  MG2         5.00    (#   1568:20  Unique         5.63, 6.42 A)
 &rst
  ixpk= 1568, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 127, 128, 129,
 &end
#
#    7 TYR  HN            6 VAL  MG2         3.50    (#   1572:20  Unique         2.87, 3.90 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   16 VAL  HN            6 VAL  MG2         5.00    (#   1573:20  Unique         2.95, 4.66 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HN            6 VAL  MG2         3.50    (#   1574:20  Unique         2.92, 3.72 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   15 HIS  HD2           6 VAL  MG2         3.50    (#   1575:20  Unique edited  2.21, 4.43 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=  94,  95,  96,
 &end
#
#    7 TYR  HE2           6 VAL  MG2         5.00    (#   1576:20  Unique         5.19, 6.18 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#   15 HIS  HA            6 VAL  MG2         6.00    (#   1577:20  Unique         3.84, 5.80 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  94,  95,  96,
 &end
#
#   17 GLU  HA            6 VAL  MG2         6.00    (#   1578:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HA            6 VAL  MG2         3.50    (#   1579:20  Unique         2.27, 2.91 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:1580     6 VAL  MG2         5.00    (#   1580:20  Resolved postSane   )
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 227, 228, 227, 228,
 igr2=  94,  95,  96,
 &end
#
#    3 ASP  HB-           6 VAL  MG2         3.50    (#   1581:20  Unique edited  3.89, 5.15 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  32,  33,
 igr2=  94,  95,  96,
 &end
#
#    6 VAL  HB            6 VAL  MG2         3.50    (#   1582:20  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  94,  95,  96,
 &end
#
#   47 TRP  HE1          45 VAL  MG1         5.00    (#   1583:20  Unique         4.25, 5.13 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HN           45 VAL  MG1         3.50    (#   1584:20  Unique         3.44, 4.12 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 707, 708, 709,
 &end
#
#   46 LYS  HN           45 VAL  MG1         5.00    (#   1585:20  Resolved postSane   )
 &rst
  ixpk= 1585, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HH2          45 VAL  MG1         5.00    (#   1586:20  Unique         3.68, 4.37 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HZ3          45 VAL  MG1         5.00    (#   1587:20  Unique         5.62, 6.22 A)
 &rst
  ixpk= 1587, nxpk= 20, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   47 TRP  HZ2          45 VAL  MG1         5.00    (#   1588:20  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#   44 MET  HA           45 VAL  MG1         5.00    (#   1589:20  Unique         4.51, 5.50 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 707, 708, 709,
 &end
#
#    0 AMB  20-2:1590    45 VAL  MG1         5.00    (#   1590:20  NMR Lookup Data     )
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 364, 362,
 igr2= 707, 708, 709,
 &end
#
#   21 HIS  HB+          45 VAL  MG1         5.00    (#   1591:20  Unique         5.58, 6.77 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 337, 338,
 igr2= 707, 708, 709,
 &end
#
#   21 HIS  HB-          45 VAL  MG1         6.00    (#   1592:20  Unique         5.58, 6.77 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 337, 338,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HB           45 VAL  MG1         2.70    (#   1593:20  Unique         2.42, 2.69 A)
 &rst
  ixpk= 1593, nxpk= 20, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 707, 708, 709,
 &end
#
#   23 THR  HG21         45 VAL  MG1         2.70    (#   1594:20  Unique         2.80, 3.82 A)
 &rst
  ixpk= 1594, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 707, 708, 709,
 &end
#
#   24 VAL  HN           24 VAL  MG2         3.50    (#   1595:20  Unique         4.11, 4.21 A)
 &rst
  ixpk= 1595, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 384, 385, 386,
 &end
#
#   25 CYS  HN           24 VAL  MG2         3.50    (#   1596:20  Unique         2.92, 3.61 A)
 &rst
  ixpk= 1596, nxpk= 20, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 384, 385, 386,
 &end
#
#   23 THR  HN           24 VAL  MG2         6.00    (#   1597:20  Unique         5.41, 5.62 A)
 &rst
  ixpk= 1597, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HE1          24 VAL  MG2         5.00    (#   1599:20  Unique         4.38, 5.40 A)
 &rst
  ixpk= 1599, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HD2          24 VAL  MG2         5.00    (#   1601:20  Unique         3.64, 4.53 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   24 VAL  HA           24 VAL  MG2         2.70    (#   1604:20  Unique         2.35, 3.10 A)
 &rst
  ixpk= 1604, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 384, 385, 386,
 &end
#
#   42 HIS  HB3          24 VAL  MG2         5.00    (#   1605:20  Unique         2.04, 2.85 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   24 VAL  HB           24 VAL  MG2         2.70    (#   1607:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 384, 385, 386,
 &end
#
#   13 LYS  HN           13 LYS  HG-         5.00    (#   1612:20  Unique         3.41, 4.11 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   13 LYS  HN           13 LYS  HG+         5.00    (#   1613:20  Unique         3.64, 4.20 A)
 &rst
  ixpk= 1613, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   13 LYS  HB2          13 LYS  HG-         3.50    (#   1614:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1614, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#   16 VAL  HN           16 VAL  HA          5.00    (#   1628:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1629    16 VAL  HA          5.00    (#   1629:20  Resolved postSane   )
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 227, 228, 227, 228,
 &end
#
#   12 CYS  HB-          12 CYS  HA          5.00    (#   1630:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#   1631:20  Unique         2.47, 2.53 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG1          16 VAL  HA          3.50    (#   1632:20  Unique         2.57, 3.20 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HA          3.50    (#   1633:20  Unique         3.77, 4.01 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  20-2:1634     8 THR  HA          2.70    (#   1634:20  Resolved postSane   )
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 135, 240,
 &end
#
#    8 THR  HB            8 THR  HA          5.00    (#   1635:20  Unique         2.64, 2.76 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  MG2           8 THR  HA          3.50    (#   1636:20  Unique         2.38, 2.86 A)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2           8 THR  HA          5.00    (#   1637:20  Unique         2.33, 3.53 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#   31 CYS  HN           31 CYS  HA          5.00    (#   1638:20  Unique         2.88, 2.90 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HN           31 CYS  HA          2.70    (#   1639:20  Unique         2.22, 2.26 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 489, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HN            7 TYR  HA          3.50    (#   1640:20  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 121, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          31 CYS  HA          2.70    (#   1641:20  Unique         2.14, 2.24 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 484, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB3          31 CYS  HA          2.70    (#   1642:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    7 TYR  HB3           7 TYR  HA          5.00    (#   1643:20  Unique         2.42, 2.46 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 105, 102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1644    31 CYS  HA          6.00    (#   1644:20  Resolved postSane   )
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 289, 290, 289, 290, 499, 500,
 &end
#
#    0 AMB  20-2:1645    31 CYS  HA          3.50    (#   1645:20  Resolved postSane   )
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 502, 503, 504, 246, 247, 248,
 &end
#
#   16 VAL  MG2          31 CYS  HA          3.50    (#   1646:20  Unique         2.63, 3.69 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 250, 251, 252,
 &end
#
#   21 HIS  HN           20 TRP  HA          5.00    (#   1647:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 333, 311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HN           20 TRP  HA          6.00    (#   1648:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HN           19 ARG  HA          3.50    (#   1654:20  Unique         2.25, 2.36 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 309, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1655    19 ARG  HA          2.70    (#   1655:20  NMR Lookup Data     )
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 289, 290, 289, 290,
 &end
#
#   24 VAL  HN           42 HIS  HB2         6.00    (#   1672:20  Unique         5.03, 5.06 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 374, 649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HN           12 CYS  HB+         5.00    (#   1675:20  Unique         2.84, 3.44 A)
 &rst
  ixpk= 1675, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 179, 178,
 &end
#
#   46 LYS  HA           20 TRP  HA          3.50    (#   1676:20  Unique         2.06, 2.20 A)
 &rst
  ixpk= 1676, nxpk= 20, iat= 719, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3           9 CYS  HB3         3.50    (#   1677:20  Unique         5.06, 5.09 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 483, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          25 CYS  HB-         5.00    (#   1937:20  Unique         2.02, 2.67 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 355, 354,
 igr2= 395, 394,
 &end
#
#   22 CYS  HB+          25 CYS  HB+         3.50    (#   1938:20  Unique         2.02, 2.67 A)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 355, 354,
 igr2= 395, 394,
 &end
#
#   28 TYR  HB2          25 CYS  HB+         2.70    (#   1939:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1939, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr2= 395, 394,
 &end
#
#   25 CYS  HA           25 CYS  HB-         3.50    (#   1941:20  Unique         2.54, 2.79 A)
 &rst
  ixpk= 1941, nxpk= 20, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#   30 LEU  HB3          19 ARG  HB-         5.00    (#   1944:20  Unique edited  5.20, 6.00 A)
 &rst
  ixpk= 1944, nxpk= 20, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 289, 290,
 &end
#
#   43 LYS  HG-          43 LYS  HB3         3.50    (#   1946:20  Unique         2.57, 2.62 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   43 LYS  HG-          43 LYS  HB2         3.50    (#   1947:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#   19 ARG  HG+          19 ARG  HB+         3.50    (#   1948:20  Unique         2.50, 2.81 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 292, 293,
 igr2= 289, 290,
 &end
#
#   19 ARG  HG+          19 ARG  HB-         2.70    (#   1949:20  Unique         2.50, 2.81 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 292, 293,
 igr2= 289, 290,
 &end
#
#   20 TRP  HA            0 AMB  20-1:1950   5.00    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 688, 689, 688, 689,
 &end
#
#    0 AMB  20-2:1951    24 VAL  HA          5.00    (#   1951:20  NMR Lookup Data     )
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 364, 362, 352,
 &end
#
#   28 TYR  HB2          22 CYS  HB+         5.00    (#   1952:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#   28 TYR  HB2          22 CYS  HB-         3.50    (#   1953:20  Unique         3.38, 3.67 A)
 &rst
  ixpk= 1953, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:1954     0 AMB  20-1:1954   5.00    (#   1954:20  NMR Lookup Data     )
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
 igr1= 649, 484, 607, 608, 607, 608, 607, 608, 635,
 igr2= 618, 619, 618, 619, 210, 211, 210, 211, 618, 619,
       618, 619,
 &end
#
#   42 HIS  HD2          42 HIS  HB2         5.00    (#   1955:20  Unique         3.90, 3.92 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 658, 649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HB+           9 CYS  HB3         5.00    (#   1956:20  Unique         2.23, 3.20 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#   37 THR  HN           36 ASN  HA          5.00    (#   1957:20  Unique         3.55, 3.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 567, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA            0 AMB  20-1:1962   5.00    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 675, 676,
 &end
#
#    0 AMB  20-2:1963     0 AMB  20-1:1963   5.00    (#   1963:20  Resolved postSane   )
 &rst
  ixpk= 1963, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 675, 676,
 &end
#
#   45 VAL  HA            0 AMB  20-1:1964   6.00    (#   1964:20  Single Ambig)
 &rst
  ixpk= 1964, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 675,
 &end
#
#   43 LYS  HG-           0 AMB  20-1:1965   2.70    (#   1965:20  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 669, 670,
 igr2= 676, 675,
 &end
#
#   25 CYS  HN           28 TYR  HB2         6.00    (#   1966:20  Unique         5.09, 5.17 A)
 &rst
  ixpk= 1966, nxpk= 20, iat= 390, 431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HB3         6.00    (#   1968:20  Unique         4.56, 4.94 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 346, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HB2         6.00    (#   1969:20  Unique         5.58, 5.83 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 346, 431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HE2           3 ASP  HB-         5.00    (#   1970:20  Unique edited  5.20, 5.94 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:1972     7 TYR  HB2         5.00    (#   1972:20  Resolved postSane   )
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 236, 747,
 &end
#
#    0 AMB  20-2:1973     7 TYR  HB3         5.00    (#   1973:20  NMR Lookup Data     )
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 747, 236,
 &end
#
#    0 AMB  20-2:1975     7 TYR  HB2         6.00    (#   1975:20  Resolved postSane   )
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 110, 115,
 &end
#
#    0 AMB  20-2:1976     7 TYR  HB3         6.00    (#   1976:20  NMR Lookup Data     )
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  23,  24, 110, 115,
 &end
#
#    0 AMB  20-2:1977     0 AMB  20-1:1977   6.00    (#   1977:20  NMR Lookup Data     )
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=  72,  80, 326, 236,
 igr2=  32,  33, 731,  32,  33,
 &end
#
#    0 AMB  20-2:1978     0 AMB  20-1:1978   5.00    (#   1978:20  Resolved postSane   )
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 324,  74,  78,
 igr2= 731,  32,  33, 730,
 &end
#
#   37 THR  MG2          36 ASN  HB2         5.00    (#   1979:20  Unique         3.67, 5.24 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   35 TYR  HN            0 AMB  20-1:1980   3.50    (#   1980:20  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 537, 536,
 &end
#
#   36 ASN  HN           35 TYR  HB3         5.00    (#   1981:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 1981, nxpk= 20, iat= 553, 537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HE1           0 AMB  20-1:1982   6.00    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 537, 536,
 &end
#
#   36 ASN  HD2+         36 ASN  HB2         5.00    (#   1983:20  Unique         2.21, 3.18 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   36 ASN  HD2+         36 ASN  HB3         5.00    (#   1984:20  Unique         3.43, 3.83 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 562, 563,
 &end
#
#   38 LYS  HG-          37 THR  HA          5.00    (#   1985:20  Resolved postSane   )
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   30 LEU  HB3          34 CYS  HB2         3.50    (#   1986:20  Unique         2.84, 2.94 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 465, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  HN            0 AMB  20-1:1987   5.00    (#   1987:20  Single Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  20-2:1988     0 AMB  20-1:1988   3.50    (#   1988:20  NMR Lookup Data     )
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 208, 616,
 igr2= 210, 211, 210, 211, 618, 619, 618, 619,
 &end
#
#   40 HIS  HD2           0 AMB  20-1:1989   5.00    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 618, 619, 618, 619,
 &end
#
#   19 ARG  HG+          47 TRP  HB+         5.00    (#   1990:20  Unique         2.90, 3.91 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 292, 293,
 igr2= 743, 744,
 &end
#
#   47 TRP  HD1          47 TRP  HB+         5.00    (#   1991:20  Resolved postSane   )
 &rst
  ixpk= 1991, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 743, 744,
 &end
#
#   28 TYR  HE2          35 TYR  HA          5.00    (#   1993:20  Unique edited  5.07, 5.14 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 442, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HB2          35 TYR  HA          5.00    (#   1994:20  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 464, 534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HD2          22 CYS  HB-         5.00    (#   1996:20  Unique         3.34, 3.70 A)
 &rst
  ixpk= 1996, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 355, 354,
 &end
#
#    0 AMB  20-2:1997     6 VAL  HA          6.00    (#   1997:20  NMR Lookup Data     )
 &rst
  ixpk= 1997, nxpk= 20, iat= 236,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          28 TYR  HA          6.00    (#   2001:20  Unique         5.13, 5.24 A)
 &rst
  ixpk= 2001, nxpk= 20, iat= 346, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HB2          28 TYR  HA          3.50    (#   2002:20  Unique         2.47, 2.50 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HE            5 PHE  HA          6.00    (#   2003:20  Unique         6.13, 6.34 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  74,  78,
 &end
#
#    5 PHE  HD            5 PHE  HA          5.00    (#   2004:20  Unique         4.00, 4.23 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  72,  80,
 &end
#
#    0 AMB  20-2:2005     0 AMB  20-1:2005   5.00    (#   2005:20  NMR Lookup Data     )
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 562, 563, 184,
 igr2= 510, 208,
 &end
#
#   50 GLY  HN           49 LEU  HA          5.00    (#   2006:20  Unique         2.24, 2.41 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 789, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 GLN  HG+           2 GLN  HA          6.00    (#   2007:20  Unique         2.42, 3.32 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  18,  19,
 &end
#
#   27 ASP  HN           27 ASP  HA          2.70    (#   2008:20  Unique         2.14, 2.23 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    6 VAL  MG2          17 GLU  HA          6.00    (#   2009:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  94,  95,  96,
 &end
#
#   34 CYS  HB3          30 LEU  HA          6.00    (#   2010:20  Unique         3.97, 4.07 A)
 &rst
  ixpk= 2010, nxpk= 20, iat= 526, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HB3          37 THR  MG2         5.00    (#   2017:20  Unique         3.05, 4.34 A)
 &rst
  ixpk= 2017, nxpk= 20, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 573, 574, 575,
 &end
#
#    8 THR  HA            8 THR  MG2         3.50    (#   2019:20  Unique         2.38, 2.86 A)
 &rst
  ixpk= 2019, nxpk= 20, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 127, 128, 129,
 &end
#
#   42 HIS  HD2          41 THR  MG2         5.00    (#   2020:20  Unique         4.35, 5.91 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 637, 638, 639,
 &end
#
#    0 AMB  20-2:2021     6 VAL  MG1         6.00    (#   2021:20  Resolved postSane   )
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 117, 108,
 igr2=  90,  91,  92,
 &end
#
#   47 TRP  HZ2          45 VAL  MG2         5.00    (#   2022:20  Unique         2.22, 3.29 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 711, 712, 713,
 &end
#
#   47 TRP  HH2          45 VAL  MG2         6.00    (#   2023:20  Resolved postSane   )
 &rst
  ixpk= 2023, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 711, 712, 713,
 &end
#
#   40 HIS  HD2          24 VAL  MG1         5.00    (#   2024:20  Unique         4.18, 4.78 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 380, 381, 382,
 &end
#
#    7 TYR  HA            6 VAL  MG1         3.50    (#   2026:20  Resolved postSane   )
 &rst
  ixpk= 2026, nxpk= 20, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  90,  91,  92,
 &end
#
#   45 VAL  HA           45 VAL  MG2         3.50    (#   2027:20  Unique         3.53, 3.87 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 711, 712, 713,
 &end
#
#   15 HIS  HD2          16 VAL  MG2         5.00    (#   2028:20  Unique         4.62, 5.70 A)
 &rst
  ixpk= 2028, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 250, 251, 252,
 &end
#
#    0 AMB  20-2:2029    16 VAL  MG2         6.00    (#   2029:20  Resolved postSane   )
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 227, 228, 227, 228,
 igr2= 250, 251, 252,
 &end
#
#   28 TYR  HE2          44 MET  ME          5.00    (#   2032:20  Unique         4.04, 4.72 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HE3          44 MET  ME          3.50    (#   2033:20  Unique edited  3.90, 4.78 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 695, 696, 697,
 &end
#
#   21 HIS  HD2          44 MET  ME          5.00    (#   2034:20  Unique         5.32, 5.95 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 695, 696, 697,
 &end
#
#   20 TRP  HA           44 MET  ME          3.50    (#   2035:20  Unique         3.53, 4.61 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 695, 696, 697,
 &end
#
#   30 LEU  MDY          44 MET  ME          5.00    (#   2036:20  Unique         5.68, 6.52 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 695, 696, 697,
 &end
#
#    0 AMB  20-2:2037    30 LEU  HB3         3.50    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 460, 309,
 &end
#
#    0 AMB  20-2:2038    30 LEU  HB2         5.00    (#   2038:20  NMR Lookup Data     )
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 479, 522,
 &end
#
#   40 HIS  HA           44 MET  ME          6.00    (#   2039:20  Unique         6.11, 6.89 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 695, 696, 697,
 &end
#
#   34 CYS  HB3          30 LEU  HB3         3.50    (#   2042:20  Unique         2.95, 3.13 A)
 &rst
  ixpk= 2042, nxpk= 20, iat= 526, 465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 TRP  HE3          32 ILE  MD1         6.00    (#   2044:20  Unique         5.83, 6.23 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 502, 503, 504,
 &end
#
#   20 TRP  HA           32 ILE  MD1         5.00    (#   2045:20  Unique         4.57, 5.12 A)
 &rst
  ixpk= 2045, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 502, 503, 504,
 &end
#
#    0 AMB  20-2:2048    29 ASP  HB3         5.00    (#   2048:20  NMR Lookup Data     )
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 289, 290, 289, 290, 292,
 &end
#
#    0 AMB  20-2:2049    29 ASP  HB2         5.00    (#   2049:20  NMR Lookup Data     )
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 289, 290, 289, 290,
 &end
#
#   34 CYS  HB3           0 AMB  20-1:2051   5.00    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 167, 166,
 &end
#
#   38 LYS  HN            0 AMB  20-1:2053   3.50    (#   2053:20  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#   39 SER  HN            0 AMB  20-1:2054   6.00    (#   2054:20  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 20, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 585, 586, 585, 586,
 &end
#
#   35 TYR  HA            0 AMB  20-1:2055   3.50    (#   2055:20  Single Ambig)
 &rst
  ixpk= 2055, nxpk= 20, iat= 534,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:2056     0 AMB  20-2:2056   5.00    (#   2056:20  Resolved postSane   )
#This appears to be self-referential: ignoring
#
#   11 GLU  HB3           0 AMB  20-1:2057   5.00    (#   2057:20  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 585, 586, 585, 586,
 &end
#
#    0 AMB  20-2:2058     0 AMB  20-1:2058   2.70    (#   2058:20  Resolved postSane   )
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 589, 588,
 igr2= 585, 586, 585, 586, 585, 586,
 &end
#
#   30 LEU  MDX           0 AMB  20-1:2059   3.50    (#   2059:20  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 585, 586, 585, 586,
 &end
#
#   30 LEU  MDY           0 AMB  20-1:2060   5.00    (#   2060:20  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 469, 470, 471, 473, 474, 475,
 igr2= 585, 586, 585, 586,
 &end
#
#   38 LYS  HA            0 AMB  20-1:2061   3.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 585, 586, 585, 586,
 &end
#
#   38 LYS  HD+           0 AMB  20-1:2062   5.00    (#   2062:20  Single Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 591, 592,
 igr2= 585, 586, 585, 586,
 &end
#
#   45 VAL  MG1          43 LYS  HD-         5.00    (#   2064:20  Unique         5.54, 6.37 A)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 708, 709,
 igr2= 672, 673,
 &end
#
#   43 LYS  HG+           0 AMB  20-1:2065   3.50    (#   2065:20  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 669, 670,
 igr2= 672, 673,
 &end
#
#   43 LYS  HA            0 AMB  20-1:2066   5.00    (#   2066:20  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 673, 672,
 &end
#
#   13 LYS  HG+          13 LYS  HB2         5.00    (#   2067:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#   13 LYS  HG+          13 LYS  HB3         3.50    (#   2068:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 191, 192,
 &end
#
#   10 ASN  HA            0 AMB  20-1:2072   3.50    (#   2072:20  Single Ambig)
 &rst
  ixpk= 2072, nxpk= 20, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 194, 195,
 &end
#
#   32 ILE  MG2          32 ILE  HG1-        3.50    (#   2073:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 495, 496, 497,
 igr2= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HG1+        2.70    (#   2074:20  Resolved postSane   )
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 502, 503, 504,
 igr2= 499, 500,
 &end
#
#   32 ILE  MG2          32 ILE  HG1+        2.70    (#   2075:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 495, 496, 497,
 igr2= 499, 500,
 &end
#
#    0 AMB  20-2:2077    38 LYS  HD+         3.50    (#   2077:20  Resolved postSane   )
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 585, 586, 585, 586,
 igr2= 591, 592,
 &end
#
#    0 AMB  20-2:2078     0 AMB  20-1:2078   3.50    (#   2078:20  NMR Lookup Data     )
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 188, 164,
 igr2= 195, 194, 591,
 &end
#
#   11 GLU  HG1           0 AMB  20-1:2079   5.00    (#   2079:20  Single Ambig)
 &rst
  ixpk= 2079, nxpk= 20, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 591, 592,
 &end
#
#   32 ILE  HB           32 ILE  HG1+        3.50    (#   2080:20  Unique         2.31, 2.42 A)
 &rst
  ixpk= 2080, nxpk= 20, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 499, 500,
 &end
#
#   13 LYS  HB3          13 LYS  HG+         3.50    (#   2091:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2091, nxpk= 20, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#   13 LYS  HB2          13 LYS  HG+         3.50    (#   2092:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 191, 192,
 &end
#
#    0 AMB  20-2:2093     0 AMB  20-1:2093   3.50    (#   2093:20  Resolved postSane   )
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 189, 666,
 igr2= 191, 670,
 &end
#
#    0 AMB  20-2:2094    13 LYS  HG+         3.50    (#   2094:20  NMR Lookup Data     )
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 194, 195,
 igr2= 191, 192,
 &end
#
#    0 AMB  20-2:2095    13 LYS  HG+         3.50    (#   2095:20  NMR Lookup Data     )
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 197, 198,
 igr2= 191, 192,
 &end
#
#   49 LEU  HA           49 LEU  MDY         3.50    (#   2099:20  Unique         2.29, 2.99 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 779, 780, 781, 783, 784, 785,
 &end
#
#   13 LYS  HA           13 LYS  HG+         5.00    (#   2104:20  Resolved postSane   )
 &rst
  ixpk= 2104, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 191, 192,
 &end
#
#   16 VAL  HA            6 VAL  MG2         5.00    (#   2106:20  Unique         3.76, 4.75 A)
 &rst
  ixpk= 2106, nxpk= 20, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  94,  95,  96,
 &end
#
#    0 AMB  20-2:2107     6 VAL  MG2         5.00    (#   2107:20  Resolved postSane   )
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  66,  13,
 igr2=  94,  95,  96,
 &end
#
#   47 TRP  HZ2          45 VAL  MG1         6.00    (#   2108:20  Unique         2.40, 3.43 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 707, 708, 709,
 &end
#
#   45 VAL  HA           45 VAL  MG1         3.50    (#   2109:20  Unique         2.30, 2.79 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 707, 708, 709,
 &end
#
#   40 HIS  HD2          24 VAL  MG2         5.00    (#   2110:20  Unique         5.56, 6.32 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 384, 385, 386,
 &end
#
#   12 CYS  HB+          12 CYS  HA          3.50    (#   2113:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#    0 AMB  20-2:2114     7 TYR  HA          5.00    (#   2114:20  NMR Lookup Data     )
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  18,  19, 104,
 &end
#
#   11 GLU  HB3          34 CYS  HB2         5.00    (#   2117:20  Unique         5.24, 5.35 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 164, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HE3           0 AMB  20-1:2118   5.00    (#   2118:20  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 20, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 536, 537,
 &end
#
#    0 AMB  20-2:2119     0 AMB  20-1:2119   3.50    (#   2119:20  NMR Lookup Data     )
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 549, 317, 540,
 igr2= 537, 536,
 &end
#
#    0 AMB  20-2:2122    35 TYR  HB3         3.50    (#   2122:20  NMR Lookup Data     )
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 491,
 &end
#
#    0 AMB  20-2:2123    35 TYR  HB2         3.50    (#   2123:20  Resolved postSane   )
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 464, 465,
 &end
#
#   32 ILE  MG2          35 TYR  HB3         6.00    (#   2124:20  Unique         3.66, 4.60 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 495, 496, 497,
 &end
#
#   30 LEU  MDX          35 TYR  HB2         5.00    (#   2125:20  Resolved postSane   )
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   24 VAL  HB           24 VAL  HA          3.50    (#   2126:20  Unique         2.31, 2.33 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HB2          25 CYS  HB-         3.50    (#   2129:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 395, 394,
 &end
#
#   16 VAL  HN            7 TYR  HB2         6.00    (#   2130:20  Resolved postSane   )
 &rst
  ixpk= 2130, nxpk= 20, iat= 240, 104, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2131     3 ASP  HB-         5.00    (#   2131:20  Resolved postSane   )
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  44,  45,  44,  45,
 igr2=  32,  33,
 &end
#
#    0 AMB  20-2:2132    19 ARG  HD+         5.00    (#   2132:20  NMR Lookup Data     )
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 102, 123, 287, 481,
 igr2= 295, 296,
 &end
#
#   19 ARG  HA           19 ARG  HD-         5.00    (#   2133:20  Resolved postSane   )
 &rst
  ixpk= 2133, nxpk= 20, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 295, 296,
 &end
#
#    5 PHE  HD            0 AMB  20-1:2134   5.00    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  80,
 igr2=  51,  50,
 &end
#
#   28 TYR  HA           29 ASP  HB2         5.00    (#   2135:20  Unique         4.91, 4.97 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 429, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 TYR  HA           29 ASP  HB3         6.00    (#   2136:20  Unique         5.42, 5.56 A)
 &rst
  ixpk= 2136, nxpk= 20, iat= 429, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 THR  HA           29 ASP  HB2         6.00    (#   2137:20  Resolved postSane   )
 &rst
  ixpk= 2137, nxpk= 20, iat= 123, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HA           29 ASP  HB3         5.00    (#   2138:20  Resolved postSane   )
 &rst
  ixpk= 2138, nxpk= 20, iat= 287, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2139     0 AMB  20-1:2139   6.00    (#   2139:20  Resolved postSane   )
 &rst
  ixpk= 2139, nxpk= 20, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 675,
 &end
#
#   45 VAL  HN           21 HIS  HA          5.00    (#   2140:20  Unique         4.73, 4.77 A)
 &rst
  ixpk= 2140, nxpk= 20, iat= 701, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 VAL  HA            6 VAL  HA          6.00    (#   2141:20  Unique         4.61, 5.13 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 242,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  MDY          30 LEU  HG          3.50    (#   2142:20  Unique         2.33, 2.69 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    4 ARG  HN            4 ARG  HG+         6.00    (#   2151:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  47,  48,
 &end
#
#    4 ARG  HN            4 ARG  HG+         6.00    (#   2152:20  Unique         1.94, 2.42 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  47,  48,
 &end
#
#   46 LYS  HB2          45 VAL  HA          5.00    (#   2157:20  Unique         5.22, 5.28 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 721, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2158     0 AMB  20-1:2158   3.50    (#   2158:20  NMR Lookup Data     )
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 140, 314, 536, 313,
 igr2= 462, 547, 542,
 &end
#
#   24 VAL  HN           23 THR  HG21        5.00    (#   2162:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 2162, nxpk= 20, iat= 374, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           10 ASN  HN          3.50    (#      1:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1, nxpk= 10, iat= 159, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HA           10 ASN  HN          2.70    (#      3:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 3, nxpk= 10, iat= 147, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    9 CYS  HA           10 ASN  HN          2.70    (#      4:10  Unique         2.31, 2.35 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HB+          10 ASN  HN          2.70    (#      5:10  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 149, 150,
 &end
#
#   29 ASP  HB3          10 ASN  HN          5.00    (#      6:10  Unique         3.67, 3.81 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 453, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HB2          10 ASN  HN          5.00    (#      7:10  Unique         2.16, 2.30 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 452, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HN           10 ASN  HN          5.00    (#      9:10  Resolved postSane   )
 &rst
  ixpk= 9, nxpk= 10, iat= 135, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HN           10 ASN  HN          3.50    (#     10:10  Preassigned    3.28, 3.32 A)
 &rst
  ixpk= 10, nxpk= 10, iat= 448, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:11      10 ASN  HN          6.00    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 437,
 &end
#
#   30 LEU  HA           10 ASN  HN          3.50    (#     12:10  Unique         3.07, 3.14 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 462, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:14      10 ASN  HN          6.00    (#     14:10  NMR Lookup Data     )
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 429, 161,
 &end
#
#    9 CYS  HB3          10 ASN  HN          5.00    (#     15:10  Unique         4.48, 4.52 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  MDY          10 ASN  HN          3.50    (#     18:10  Unique         3.50, 4.56 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HG           10 ASN  HN          6.00    (#     19:10  Resolved postSane   )
 &rst
  ixpk= 19, nxpk= 10, iat= 467, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HB3          10 ASN  HN          6.00    (#     20:10  Unique         5.52, 5.61 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 465, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HB-          10 ASN  HN          2.70    (#     21:10  Unique         2.30, 2.52 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 149, 150,
 &end
#
#    0 AMB  10-2:22      10 ASN  HN          6.00    (#     22:10  NMR Lookup Data     )
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 166, 163, 296,
 &end
#
#   21 HIS  HN           47 TRP  HN          5.00    (#     23:10  Preassigned    4.07, 4.43 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 333, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ARG  HN           47 TRP  HN          3.50    (#     24:10  Preassigned    3.05, 3.20 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 285, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HN           47 TRP  HN          5.00    (#     25:10  Unique         3.64, 3.77 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 717, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HD1          47 TRP  HN          5.00    (#     27:10  Resolved postSane   )
 &rst
  ixpk= 27, nxpk= 10, iat= 747, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 LYS  HA           47 TRP  HN          2.70    (#     29:10  Unique         1.94, 2.03 A)
 &rst
  ixpk= 29, nxpk= 10, iat= 719, 739, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   47 TRP  HB+          47 TRP  HN          3.50    (#     30:10  Unique         2.29, 2.98 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   19 ARG  HG-          47 TRP  HN          5.00    (#     33:10  Unique         3.29, 3.48 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   19 ARG  HG+          47 TRP  HN          5.00    (#     34:10  Unique         2.94, 3.32 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#   46 LYS  HB2          47 TRP  HN          5.00    (#     35:10  Resolved postSane   )
 &rst
  ixpk= 35, nxpk= 10, iat= 721, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  MG2          47 TRP  HN          6.00    (#     36:10  Unique         4.91, 6.19 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 711, 712, 713,
 &end
#
#   46 LYS  HG-          47 TRP  HN          3.50    (#     37:10  Unique         2.21, 2.34 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          47 TRP  HN          3.50    (#     38:10  Unique         3.40, 3.52 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          47 TRP  HN          6.00    (#     39:10  Unique         4.07, 4.13 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 722, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HN           46 LYS  HN          6.00    (#     40:10  Unique         2.29, 2.42 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 333, 717, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HN           46 LYS  HN          5.00    (#     41:10  Unique         3.64, 3.77 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 739, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           46 LYS  HN          5.00    (#     42:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 42, nxpk= 10, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HD1          46 LYS  HN          5.00    (#     44:10  Resolved postSane   )
 &rst
  ixpk= 44, nxpk= 10, iat= 747, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:46      46 LYS  HN          5.00    (#     46:10  NMR Lookup Data     )
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 752, 346,
 &end
#
#   45 VAL  HA           46 LYS  HN          3.50    (#     48:10  Unique         3.41, 3.45 A)
 &rst
  ixpk= 48, nxpk= 10, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HA           46 LYS  HN          3.50    (#     49:10  Unique         2.01, 2.06 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 719, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  HB           46 LYS  HN          3.50    (#     50:10  Unique         2.72, 2.76 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HB2          46 LYS  HN          3.50    (#     51:10  Unique         3.23, 3.28 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 721, 717, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          46 LYS  HN          3.50    (#     53:10  Unique         2.05, 3.08 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#   46 LYS  HG-          46 LYS  HN          5.00    (#     54:10  Unique         4.63, 4.72 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          46 LYS  HN          5.00    (#     55:10  Unique         5.04, 5.06 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#   46 LYS  HB3          46 LYS  HN          5.00    (#     56:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 722, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HN           22 CYS  HN          5.00    (#     60:10  Unique         3.94, 4.01 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 333, 350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 THR  HN           22 CYS  HN          6.00    (#     61:10  Resolved postSane   )
 &rst
  ixpk= 61, nxpk= 10, iat= 360, 350, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          22 CYS  HN          3.50    (#     62:10  Unique         2.41, 2.52 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HA           22 CYS  HN          3.50    (#     63:10  Unique         2.93, 3.00 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 450, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           22 CYS  HN          2.70    (#     64:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 64, nxpk= 10, iat= 335, 350, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB 10-2:67       22 CYS  HN          5.00    (#     67:10  Resolved postSane   )
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 429, 417,
 &end
#
#   22 CYS  HA           22 CYS  HN          3.50    (#     68:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 68, nxpk= 10, iat= 352, 350, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HB+          22 CYS  HN          2.70    (#     69:10  Unique         1.89, 2.57 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 355, 354,
 &end
#
#   22 CYS  HB-          22 CYS  HN          2.70    (#     70:10  Unique         1.89, 2.57 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 355, 354,
 &end
#
#    0 AMB  10-2:72      22 CYS  HN          5.00    (#     72:10  NMR Lookup Data     )
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 337, 338, 431, 452,
 &end
#
#    0 AMB  10-2:73      22 CYS  HN          5.00    (#     73:10  NMR Lookup Data     )
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 688, 689, 688, 689, 453,
 &end
#
#   44 MET  HG1          22 CYS  HN          5.00    (#     74:10  Unique         4.35, 4.40 A)
 &rst
  ixpk= 74, nxpk= 10, iat= 692, 350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  ME           22 CYS  HN          2.70    (#     75:10  Unique         2.87, 3.60 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  10-2:76      22 CYS  HN          6.00    (#     76:10  NMR Lookup Data     )
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 366, 467, 370,
 &end
#
#   47 TRP  HD1          47 TRP  HE1         2.70    (#     78:10  Unique         2.50, 2.53 A)
 &rst
  ixpk= 78, nxpk= 10, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   21 HIS  HD2          47 TRP  HE1         5.00    (#     79:10  Unique         4.66, 4.82 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 346, 749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HB+          47 TRP  HE1         3.50    (#     82:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          47 TRP  HE1         5.00    (#     83:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 337, 338,
 &end
#
#   45 VAL  HB           47 TRP  HE1         3.50    (#     84:10  Unique         3.51, 3.57 A)
 &rst
  ixpk= 84, nxpk= 10, iat= 705, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          47 TRP  HE1         3.50    (#     85:10  Unique         2.18, 2.82 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#   25 CYS  HN           24 VAL  HN          2.70    (#     87:10  Unique         2.78, 2.80 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 390, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           24 VAL  HN          2.70    (#     88:10  Unique         1.92, 1.95 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 360, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:91      24 VAL  HN          3.50    (#     91:10  NMR Lookup Data     )
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 364, 362, 352,
 &end
#
#   25 CYS  HA           24 VAL  HN          6.00    (#     92:10  Unique         5.34, 5.36 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 392, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HA           24 VAL  HN          3.50    (#     93:10  Unique         2.58, 2.61 A)
 &rst
  ixpk= 93, nxpk= 10, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          24 VAL  HN          5.00    (#     94:10  Unique         5.03, 5.06 A)
 &rst
  ixpk= 94, nxpk= 10, iat= 649, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB+          24 VAL  HN          3.50    (#     95:10  Unique         3.85, 4.65 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB-          24 VAL  HN          5.00    (#     98:10  Unique         4.52, 5.05 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   23 THR  HG1          24 VAL  HN          3.50    (#     99:10  Unique         2.03, 2.09 A)
 &rst
  ixpk= 99, nxpk= 10, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HB           24 VAL  HN          2.70    (#    100:10  Unique         1.97, 2.03 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   24 VAL  MG1          24 VAL  HN          2.70    (#    101:10  Unique         1.95, 2.73 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          24 VAL  HN          3.50    (#    102:10  Unique         4.11, 4.21 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#   43 LYS  HN           44 MET  HN          6.00    (#    103:10  Unique         4.13, 4.20 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 662, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 THR  HN           44 MET  HN          6.00    (#    104:10  Resolved postSane   )
 &rst
  ixpk= 104, nxpk= 10, iat= 360, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:106     44 MET  HN          5.00    (#    106:10  Resolved postSane   )
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 542,
 &end
#
#   44 MET  HA           44 MET  HN          3.50    (#    107:10  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           44 MET  HN          3.50    (#    108:10  Unique edited  4.42, 4.47 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 352, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA           44 MET  HN          2.70    (#    109:10  Unique         1.86, 1.89 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 664, 684, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  HG1          44 MET  HN          5.00    (#    111:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 111, nxpk= 10, iat= 692, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HB2          44 MET  HN          5.00    (#    112:10  Unique         4.16, 4.20 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 666, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HG-          44 MET  HN          3.50    (#    114:10  Unique         2.95, 3.04 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:115     44 MET  HN          5.00    (#    115:10  Resolved postSane   )
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 670, 370,
 &end
#
#    0 AMB  10-2:116     44 MET  HN          2.70    (#    116:10  Resolved postSane   )
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 684, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   32 ILE  HN           20 TRP  HE1         5.00    (#    117:10  Unique         3.85, 4.04 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 489, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HZ2          20 TRP  HE1         6.00    (#    120:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 322, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:121     20 TRP  HE1         2.70    (#    121:10  Resolved postSane   )
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 317, 549,
 &end
#
#   35 TYR  HE2          20 TRP  HE1         6.00    (#    123:10  Unique         4.57, 4.74 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 547, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ILE  HA           20 TRP  HE1         3.50    (#    124:10  Unique         2.10, 2.22 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 491, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:126     20 TRP  HE1         3.50    (#    126:10  NMR Lookup Data     )
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 537, 536, 819, 820,
 &end
#
#   46 LYS  HE+          20 TRP  HE1         5.00    (#    127:10  Unique         3.51, 3.61 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   32 ILE  HB           20 TRP  HE1         5.00    (#    128:10  Unique         3.82, 3.92 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 493, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 ILE  HG1+         20 TRP  HE1         3.50    (#    129:10  Unique         3.24, 3.64 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         20 TRP  HE1         3.50    (#    130:10  Unique         3.24, 3.64 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  MG2          20 TRP  HE1         2.70    (#    131:10  Unique         1.76, 2.79 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 495, 496, 497,
 &end
#
#   32 ILE  MD1          20 TRP  HE1         3.50    (#    132:10  Unique         1.78, 2.41 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   46 LYS  HG-          20 TRP  HE1         6.00    (#    133:10  Unique         5.18, 5.35 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#   46 LYS  HG+          20 TRP  HE1         6.00    (#    134:10  Unique         3.68, 3.79 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#   10 ASN  HN           29 ASP  HN          3.50    (#    137:10  Preassigned    3.28, 3.32 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 145, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HN           29 ASP  HN          6.00    (#    138:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 460, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:139     29 ASP  HN          6.00    (#    139:10  Resolved postSane   )
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 427, 350,
 &end
#
#   10 ASN  HD2-         29 ASP  HN          5.00    (#    140:10  Unique         3.46, 4.21 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 154, 155,
 &end
#
#    0 AMB  10-2:141     29 ASP  HN          5.00    (#    141:10  Resolved postSane   )
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 435,
 &end
#
#    0 AMB  10-2:142     29 ASP  HN          6.00    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 437,
 &end
#
#   29 ASP  HA           29 ASP  HN          3.50    (#    143:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 450, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 HIS  HA           29 ASP  HN          6.00    (#    144:10  Unique         4.70, 4.75 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 335, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 TYR  HA           29 ASP  HN          2.70    (#    145:10  Unique         2.30, 2.37 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10 ASN  HA           29 ASP  HN          6.00    (#    146:10  Unique         4.41, 4.50 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 147, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HA           29 ASP  HN          6.00    (#    147:10  Unique         5.29, 5.33 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 137, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ASN  HB+          29 ASP  HN          3.50    (#    148:10  Unique         1.97, 2.12 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   29 ASP  HB2          29 ASP  HN          3.50    (#    149:10  Resolved postSane   )
 &rst
  ixpk= 149, nxpk= 10, iat= 452, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HB-          29 ASP  HN          3.50    (#    151:10  Unique         1.97, 2.12 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 149, 150,
 &end
#
#   30 LEU  HG           29 ASP  HN          6.00    (#    152:10  Unique         3.87, 3.94 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 467, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HN           34 CYS  HN          3.50    (#    155:10  Unique         2.49, 2.54 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 532, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HN           34 CYS  HN          3.50    (#    156:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HA           34 CYS  HN          5.00    (#    158:10  Unique         3.52, 3.55 A)
 &rst
  ixpk= 158, nxpk= 10, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 CYS  HA           34 CYS  HN          3.50    (#    159:10  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          34 CYS  HN          5.00    (#    160:10  Unique         4.55, 4.72 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 484, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:161     34 CYS  HN          3.50    (#    161:10  Resolved postSane   )
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 512, 513, 512, 513,
 &end
#
#   34 CYS  HB2          34 CYS  HN          2.70    (#    162:10  Unique         2.30, 2.33 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          34 CYS  HN          5.00    (#    163:10  Unique         4.00, 4.11 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 465, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:164     34 CYS  HN          6.00    (#    164:10  NMR Lookup Data     )
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 464, 499, 500,
 &end
#
#    0 AMB  10-2:165     34 CYS  HN          5.00    (#    165:10  NMR Lookup Data     )
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 473, 474, 475, 495, 496, 497,
 &end
#
#    0 AMB  10-2:166     34 CYS  HN          5.00    (#    166:10  Resolved postSane   )
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 246, 247, 248,
 &end
#
#    9 CYS  HB2          34 CYS  HN          6.00    (#    167:10  Preassigned    5.27, 5.40 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 140, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:168     52 ASP  HN          2.70    (#    168:10  NMR Lookup Data     )
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 817, 798,
 &end
#
#    0 AMB  10-2:169     52 ASP  HN          5.00    (#    169:10  NMR Lookup Data     )
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 275, 791, 792,
 &end
#
#    0 AMB  10-2:170     52 ASP  HN          3.50    (#    170:10  NMR Lookup Data     )
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 819, 820, 819, 820,
 &end
#
#    0 AMB  10-2:171     52 ASP  HN          5.00    (#    171:10  Resolved postSane   )
 &rst
  ixpk= 171, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          52 ASP  HN          5.00    (#    172:10  Unique         4.52, 5.42 A)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   18 THR  MG2          52 ASP  HN          6.00    (#    173:10  Unique         2.34, 3.93 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 277, 278, 279,
 &end
#
#   18 THR  MG2          52 ASP  HN          6.00    (#    174:10  Unique         2.34, 3.93 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 277, 278, 279,
 &end
#
#   10 ASN  HN            9 CYS  HN          5.00    (#    175:10  Unique         4.35, 4.39 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 145, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HN            9 CYS  HN          5.00    (#    176:10  Unique         4.85, 4.91 A)
 &rst
  ixpk= 176, nxpk= 10, iat= 479, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HN            9 CYS  HN          5.00    (#    177:10  Unique         4.07, 4.13 A)
 &rst
  ixpk= 177, nxpk= 10, iat= 184, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 HIS  HA            9 CYS  HN          5.00    (#    178:10  Unique         3.63, 3.99 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 225, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  HA            9 CYS  HN          2.70    (#    179:10  Unique         2.24, 2.29 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 123, 135, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HA            9 CYS  HN          5.00    (#    181:10  Resolved postSane   )
 &rst
  ixpk= 181, nxpk= 10, iat= 186, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 THR  HB            9 CYS  HN          3.50    (#    182:10  Unique         3.28, 3.38 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 125, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:183      9 CYS  HN          5.00    (#    183:10  Resolved postSane   )
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  10-2:184      9 CYS  HN          5.00    (#    184:10  Resolved postSane   )
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 179, 178, 227, 228,
 &end
#
#   31 CYS  HB3           9 CYS  HN          5.00    (#    185:10  Unique         5.97, 6.01 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 483, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB2           9 CYS  HN          3.50    (#    186:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 140, 135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:187      9 CYS  HN          2.70    (#    187:10  NMR Lookup Data     )
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 246, 247, 248, 127, 128, 129,
 &end
#
#   16 VAL  MG2           9 CYS  HN          5.00    (#    188:10  Unique         2.61, 3.52 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    9 CYS  HA            9 CYS  HN          5.00    (#    189:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 137, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3           9 CYS  HN          2.70    (#    190:10  Unique         2.32, 2.36 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 139, 135, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   29 ASP  HN           28 TYR  HN          6.00    (#    191:10  Resolved postSane   )
 &rst
  ixpk= 191, nxpk= 10, iat= 448, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:192     28 TYR  HN          5.00    (#    192:10  NMR Lookup Data     )
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 346, 435,
 &end
#
#   27 ASP  HA           28 TYR  HN          2.70    (#    194:10  Resolved postSane   )
 &rst
  ixpk= 194, nxpk= 10, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   22 CYS  HB+          28 TYR  HN          3.50    (#    196:10  Unique         2.62, 2.92 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          28 TYR  HN          3.50    (#    197:10  Unique         2.34, 3.31 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   22 CYS  HB-          28 TYR  HN          3.50    (#    198:10  Unique         2.62, 2.92 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#    0 AMB  10-2:199     28 TYR  HN          2.70    (#    199:10  NMR Lookup Data     )
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 395, 394, 432,
 &end
#
#   28 TYR  HB2          28 TYR  HN          2.70    (#    200:10  Unique         2.32, 2.39 A)
 &rst
  ixpk= 200, nxpk= 10, iat= 431, 427, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:201     28 TYR  HN          5.00    (#    201:10  Resolved postSane   )
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 404, 405, 404, 405,
 &end
#
#    6 VAL  HN            7 TYR  HN          6.00    (#    202:10  Unique         4.44, 4.48 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  84, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:203      7 TYR  HN          5.00    (#    203:10  NMR Lookup Data     )
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 236, 117,
 &end
#
#    0 AMB  10-2:204      7 TYR  HN          5.00    (#    204:10  NMR Lookup Data     )
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 115, 110,
 &end
#
#   15 HIS  HA            7 TYR  HN          5.00    (#    205:10  Unique         3.90, 4.32 A)
 &rst
  ixpk= 205, nxpk= 10, iat= 225, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 VAL  HA            7 TYR  HN          2.70    (#    208:10  Unique         1.87, 1.95 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  86, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:209      7 TYR  HN          5.00    (#    209:10  Resolved postSane   )
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 227, 228, 227, 228,
 &end
#
#    7 TYR  HB2           7 TYR  HN          2.70    (#    210:10  Unique         2.20, 2.55 A)
 &rst
  ixpk= 210, nxpk= 10, iat= 104, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    7 TYR  HB3           7 TYR  HN          3.50    (#    211:10 edited  Resolved postSane   )
 &rst
  ixpk= 211, nxpk= 10, iat= 105, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:212      7 TYR  HN          6.00    (#    212:10  NMR Lookup Data     )
 &rst
  ixpk= 212, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 296, 244,
 &end
#
#    0 AMB  10-2:214      7 TYR  HN          2.70    (#    214:10  NMR Lookup Data     )
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1=  90,  91,  92,  94,  95,  96,
 &end
#
#   16 VAL  HN            7 TYR  HN          5.00    (#    215:10  Unique         2.60, 2.81 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 240, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HA            7 TYR  HN          5.00    (#    216:10  Unique         3.74, 4.05 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 258, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HN           25 CYS  HN          2.70    (#    217:10  Unique         2.78, 2.80 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 374, 390, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   23 THR  HN           25 CYS  HN          5.00    (#    220:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 360, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:222     25 CYS  HN          6.00    (#    222:10  NMR Lookup Data     )
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 346, 444,
 &end
#
#    0 AMB  10-2:223     25 CYS  HN          5.00    (#    223:10  Resolved postSane   )
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 352, 362,
 &end
#
#   25 CYS  HA           25 CYS  HN          3.50    (#    224:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 392, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          25 CYS  HN          6.00    (#    226:10  Unique         4.33, 4.44 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 649, 390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB+          25 CYS  HN          3.50    (#    227:10  Unique         2.10, 3.07 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   25 CYS  HB+          25 CYS  HN          3.50    (#    228:10  Unique         1.91, 2.45 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   25 CYS  HB-          25 CYS  HN          2.70    (#    229:10  Unique         1.91, 2.45 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 395, 394,
 &end
#
#   28 TYR  HB2          25 CYS  HN          5.00    (#    230:10  Unique         5.09, 5.17 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 431, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  HB           25 CYS  HN          3.50    (#    231:10  Unique         3.19, 3.23 A)
 &rst
  ixpk= 231, nxpk= 10, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  MG1          25 CYS  HN          3.50    (#    232:10  Unique         1.72, 2.31 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   24 VAL  MG2          25 CYS  HN          3.50    (#    233:10  Unique         2.92, 3.61 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 384, 385, 386,
 &end
#
#    0 AMB  10-2:234     21 HIS  HN          5.00    (#    234:10  Single Ambig)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 309, 460,
 &end
#
#   47 TRP  HN           21 HIS  HN          6.00    (#    235:10  Preassigned    4.07, 4.43 A)
 &rst
  ixpk= 235, nxpk= 10, iat= 739, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 VAL  HN           21 HIS  HN          3.50    (#    236:10  Preassigned    2.82, 2.88 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 701, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HN           21 HIS  HN          6.00    (#    237:10  Unique         3.94, 4.01 A)
 &rst
  ixpk= 237, nxpk= 10, iat= 350, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HD1          21 HIS  HN          5.00    (#    238:10  Unique         4.41, 4.61 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 747, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HD2          21 HIS  HN          6.00    (#    239:10  Resolved postSane   )
 &rst
  ixpk= 239, nxpk= 10, iat= 346, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HA           21 HIS  HN          3.50    (#    240:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 MET  HA           21 HIS  HN          6.00    (#    241:10  Unique         3.82, 3.92 A)
 &rst
  ixpk= 241, nxpk= 10, iat= 686, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 LYS  HA           21 HIS  HN          3.50    (#    242:10  Unique         2.50, 2.70 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 719, 333, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:243     21 HIS  HN          3.50    (#    243:10  NMR Lookup Data     )
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 313,
 &end
#
#   21 HIS  HB+          21 HIS  HN          2.70    (#    244:10  Unique         2.50, 2.99 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          21 HIS  HN          3.50    (#    245:10  Unique         2.50, 2.99 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:246     21 HIS  HN          3.50    (#    246:10  Resolved postSane   )
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 688, 689, 688, 689,
 &end
#
#   44 MET  ME           21 HIS  HN          5.00    (#    247:10  Unique         2.98, 4.12 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#   45 VAL  MG2          21 HIS  HN          3.50    (#    248:10  Unique         3.22, 4.23 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 711, 712, 713,
 &end
#
#    0 AMB  10-2:249     21 HIS  HN          6.00    (#    249:10  NMR Lookup Data     )
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 366, 292, 289, 290, 289, 290,
 &end
#
#   25 CYS  HA           26 GLU  HN          2.70    (#    250:10  Resolved postSane   )
 &rst
  ixpk= 250, nxpk= 10, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HB+          26 GLU  HN          3.50    (#    251:10  Unique         2.64, 3.34 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 395, 394,
 &end
#
#   26 GLU  HG1          26 GLU  HN          5.00    (#    252:10  Resolved postSane   )
 &rst
  ixpk= 252, nxpk= 10, iat= 408, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:253     26 GLU  HN          3.50    (#    253:10  Resolved postSane   )
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 404, 405, 404, 405,
 &end
#
#   25 CYS  HB-          26 GLU  HN          5.00    (#    254:10  Unique         2.64, 3.34 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   21 HIS  HN           20 TRP  HN          6.00    (#    255:10  Unique         4.33, 4.38 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 333, 309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HN           20 TRP  HN          5.00    (#    256:10  Unique         4.34, 4.41 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 285, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HD1          20 TRP  HN          5.00    (#    258:10  Unique         2.58, 2.63 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 317, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           20 TRP  HN          6.00    (#    259:10  Unique         4.61, 4.66 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 462, 309, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HA           20 TRP  HN          2.70    (#    260:10  Unique         2.25, 2.36 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 287, 309, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:261     20 TRP  HN          5.00    (#    261:10  NMR Lookup Data     )
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 491, 719,
 &end
#
#   20 TRP  HB2          20 TRP  HN          2.70    (#    262:10  Unique         2.46, 2.52 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 313, 309, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   19 ARG  HD-          20 TRP  HN          5.00    (#    263:10  Resolved postSane   )
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 295, 296,
 &end
#
#   19 ARG  HD+          20 TRP  HN          5.00    (#    264:10  Resolved postSane   )
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 295, 296,
 &end
#
#   44 MET  ME           20 TRP  HN          6.00    (#    265:10  Unique         4.30, 4.90 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 695, 696, 697,
 &end
#
#   19 ARG  HB+          20 TRP  HN          2.70    (#    267:10  Unique         2.22, 3.03 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 289, 290,
 &end
#
#   19 ARG  HG+          20 TRP  HN          5.00    (#    268:10  Unique         2.82, 3.01 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 292, 293,
 &end
#
#    0 AMB  10-2:269     20 TRP  HN          5.00    (#    269:10  NMR Lookup Data     )
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 502, 503, 504, 721,
 &end
#
#   16 VAL  MG2          20 TRP  HN          6.00    (#    270:10  Unique         5.08, 5.94 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   29 ASP  HA           20 TRP  HN          5.00    (#    271:10  Unique         4.52, 4.59 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 450, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          20 TRP  HN          3.50    (#    273:10  Resolved postSane   )
 &rst
  ixpk= 273, nxpk= 10, iat= 464, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ARG  HB-          20 TRP  HN          3.50    (#    274:10  Unique         2.22, 3.03 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 289, 290,
 &end
#
#   27 ASP  HA           27 ASP  HN          2.70    (#    277:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   26 GLU  HA           27 ASP  HN          2.70    (#    278:10  Unique         2.37, 2.47 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HB+          27 ASP  HN          5.00    (#    280:10  Unique         3.84, 4.68 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 395, 394,
 &end
#
#   27 ASP  HB2          27 ASP  HN          3.50    (#    281:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 419, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 CYS  HB-          27 ASP  HN          6.00    (#    282:10  Resolved postSane   )
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 395, 394,
 &end
#
#   27 ASP  HB3          27 ASP  HN          3.50    (#    283:10  Unique         2.82, 3.56 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 420, 415, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:284     27 ASP  HN          5.00    (#    284:10  Resolved postSane   )
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 408, 407,
 &end
#
#    0 AMB  10-2:285     27 ASP  HN          6.00    (#    285:10  Resolved postSane   )
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 404, 405, 404, 405,
 &end
#
#   39 SER  HN           38 LYS  HN          5.00    (#    290:10  Unique         2.33, 2.49 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 603, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HN           38 LYS  HN          3.50    (#    291:10  Unique         2.31, 2.62 A)
 &rst
  ixpk= 291, nxpk= 10, iat= 567, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HA           38 LYS  HN          3.50    (#    292:10  Resolved postSane   )
 &rst
  ixpk= 292, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HA           38 LYS  HN          5.00    (#    293:10  Preassigned    3.17, 3.57 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 524, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HA           38 LYS  HN          5.00    (#    294:10  Resolved postSane   )
 &rst
  ixpk= 294, nxpk= 10, iat= 534, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:295     38 LYS  HN          2.70    (#    295:10  Resolved postSane   )
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 585, 586, 585, 586,
 &end
#
#    0 AMB  10-2:296     38 LYS  HN          5.00    (#    296:10  Resolved postSane   )
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 592, 591,
 &end
#
#   38 LYS  HG-          38 LYS  HN          3.50    (#    297:10  Unique         1.89, 2.21 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          38 LYS  HN          5.00    (#    298:10  Unique         4.38, 4.95 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   20 TRP  HN           19 ARG  HN          5.00    (#    301:10  Unique         4.34, 4.41 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 309, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HN           19 ARG  HN          3.50    (#    302:10  Preassigned    3.05, 3.20 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 739, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ARG  HA           19 ARG  HN          3.50    (#    305:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 305, nxpk= 10, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 THR  HA           19 ARG  HN          5.00    (#    307:10  Unique         2.05, 2.20 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA1          19 ARG  HN          5.00    (#    308:10  Unique         2.82, 3.29 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 766, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA2          19 ARG  HN          3.50    (#    309:10  Unique         3.37, 3.54 A)
 &rst
  ixpk= 309, nxpk= 10, iat= 765, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HB+          19 ARG  HN          3.50    (#    310:10  Unique         3.38, 4.13 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          19 ARG  HN          5.00    (#    311:10  Unique         3.38, 4.13 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#    0 AMB  10-2:312     19 ARG  HN          5.00    (#    312:10  NMR Lookup Data     )
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 730, 295, 731,
 &end
#
#    0 AMB  10-2:318     19 ARG  HN          2.70    (#    318:10  Resolved postSane   )
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 277, 278, 279, 502, 503, 504,
 &end
#
#   16 VAL  MG2          19 ARG  HN          6.00    (#    320:10  Unique         4.54, 5.57 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   46 LYS  HG+          19 ARG  HN          6.00    (#    322:10  Unique         4.08, 4.34 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 724, 725,
 &end
#
#    3 ASP  HA            4 ARG  HN          3.50    (#    323:10  Unique         2.33, 2.49 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  30,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ARG  HA            4 ARG  HN          5.00    (#    324:10  Unique         2.20, 2.40 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  42,  40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:325      4 ARG  HN          5.00    (#    325:10  Resolved postSane   )
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#    4 ARG  HG+           4 ARG  HN          5.00    (#    326:10  Unique         1.94, 2.42 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  47,  48,
 &end
#
#   52 ASP  HN           51 LEU  HN          5.00    (#    327:10  Unique         2.22, 3.36 A)
 &rst
  ixpk= 327, nxpk= 10, iat= 815, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU  HA           51 LEU  HN          3.50    (#    328:10  Unique         2.14, 2.49 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:329     51 LEU  HN          3.50    (#    329:10  Resolved postSane   )
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 792, 791,
 &end
#
#    0 AMB  10-2:330     51 LEU  HN          2.70    (#    330:10  Resolved postSane   )
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 800, 801, 800, 801,
 &end
#
#   51 LEU  MDX          51 LEU  HN          5.00    (#    331:10  Unique         2.15, 3.18 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 807, 809, 810, 811,
 &end
#
#   42 HIS  HB2          43 LYS  HN          3.50    (#    334:10  Unique         3.41, 3.51 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 649, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:336      0 AMB  10-1:336    2.70    (#    336:10  NMR Lookup Data     )
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 227, 228, 227, 228, 650,
 igr2= 223, 662,
 &end
#
#   43 LYS  HB2          43 LYS  HN          2.70    (#    337:10  Unique         2.48, 2.54 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 666, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HB3          43 LYS  HN          2.70    (#    338:10  Unique         2.66, 2.73 A)
 &rst
  ixpk= 338, nxpk= 10, iat= 667, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   43 LYS  HG-          43 LYS  HN          6.00    (#    339:10  Unique         4.54, 4.59 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:340     43 LYS  HN          6.00    (#    340:10  NMR Lookup Data     )
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 670,
 &end
#
#   24 VAL  HB           43 LYS  HN          6.00    (#    341:10  Unique         2.85, 2.97 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 378, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  MG1          43 LYS  HN          5.00    (#    342:10  Unique         2.73, 3.81 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 380, 381, 382,
 &end
#
#    0 AMB  10-2:343      0 AMB  10-1:343    6.00    (#    343:10  Resolved postSane   )
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 219, 658,
 igr2= 223, 662,
 &end
#
#    0 AMB  10-2:344      0 AMB  10-1:344    5.00    (#    344:10  NMR Lookup Data     )
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 658, 236,
 igr2= 662, 223,
 &end
#
#   42 HIS  HN           43 LYS  HN          5.00    (#    345:10  Unique         4.38, 4.48 A)
 &rst
  ixpk= 345, nxpk= 10, iat= 645, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HN           43 LYS  HN          5.00    (#    346:10  Unique         4.13, 4.20 A)
 &rst
  ixpk= 346, nxpk= 10, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS  HA           43 LYS  HN          3.50    (#    352:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HN           35 TYR  HN          2.70    (#    353:10  Unique         2.49, 2.54 A)
 &rst
  ixpk= 353, nxpk= 10, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 ASN  HN           35 TYR  HN          6.00    (#    354:10  Unique         4.25, 4.36 A)
 &rst
  ixpk= 354, nxpk= 10, iat= 508, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HN           35 TYR  HN          3.50    (#    355:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 355, nxpk= 10, iat= 553, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HA           35 TYR  HN          6.00    (#    357:10  Unique         4.50, 4.54 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 462, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 ASN  HA           35 TYR  HN          6.00    (#    360:10  Unique         5.34, 5.37 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 555, 532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           35 TYR  HN          3.50    (#    361:10  Unique         3.63, 3.66 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:362     35 TYR  HN          2.70    (#    362:10  Resolved postSane   )
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 534, 491,
 &end
#
#   34 CYS  HB2          35 TYR  HN          3.50    (#    363:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB3          35 TYR  HN          3.50    (#    364:10  Unique         3.18, 3.31 A)
 &rst
  ixpk= 364, nxpk= 10, iat= 526, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HB2          35 TYR  HN          2.70    (#    365:10  Unique         2.60, 2.64 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 536, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 TYR  HB3          35 TYR  HN          2.70    (#    366:10  Resolved postSane   )
 &rst
  ixpk= 366, nxpk= 10, iat= 537, 532, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          35 TYR  HN          3.50    (#    368:10  Unique         2.22, 2.28 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 465, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:369     35 TYR  HN          6.00    (#    369:10  Resolved postSane   )
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 589, 588, 467,
 &end
#
#   30 LEU  MDY          35 TYR  HN          5.00    (#    370:10  Unique         3.95, 4.87 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  MDX          35 TYR  HN          3.50    (#    371:10  Unique         3.27, 4.23 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   13 LYS  HN           14 HIS  HN          5.00    (#    374:10  Unique         2.52, 2.62 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 184, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 HIS  HD2          14 HIS  HN          5.00    (#    376:10  Unique         3.25, 3.41 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 219, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HA           14 HIS  HN          5.00    (#    378:10  Unique         2.93, 3.19 A)
 &rst
  ixpk= 378, nxpk= 10, iat= 186, 206, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:380     14 HIS  HN          3.50    (#    380:10  Resolved postSane   )
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 210, 211, 210, 211,
 &end
#
#   12 CYS  HB+          14 HIS  HN          3.50    (#    381:10  Unique         1.93, 2.44 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#    9 CYS  HB2          14 HIS  HN          6.00    (#    382:10  Unique         4.53, 4.97 A)
 &rst
  ixpk= 382, nxpk= 10, iat= 140, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HB2          14 HIS  HN          6.00    (#    383:10  Unique         3.71, 3.86 A)
 &rst
  ixpk= 383, nxpk= 10, iat= 188, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 SER  HA           40 HIS  HN          3.50    (#    386:10  Unique         2.39, 2.49 A)
 &rst
  ixpk= 386, nxpk= 10, iat= 605, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:387     40 HIS  HN          6.00    (#    387:10  Resolved postSane   )
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 607, 608, 607, 608,
 &end
#
#    0 AMB  10-2:388     40 HIS  HN          3.50    (#    388:10  Resolved postSane   )
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619, 618, 619,
 &end
#
#   35 TYR  HN           31 CYS  HN          5.00    (#    389:10  Resolved postSane   )
 &rst
  ixpk= 389, nxpk= 10, iat= 532, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           31 CYS  HN          6.00    (#    390:10  Unique         4.49, 4.53 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 159, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HN           31 CYS  HN          6.00    (#    391:10  Unique         4.85, 4.91 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 135, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           31 CYS  HN          2.70    (#    392:10  Unique         2.24, 2.27 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 462, 479, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HA           31 CYS  HN          3.50    (#    393:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 481, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           31 CYS  HN          5.00    (#    394:10  Unique         2.95, 3.02 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 137, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HB2          31 CYS  HN          3.50    (#    395:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 395, nxpk= 10, iat= 484, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 CYS  HB2          31 CYS  HN          3.50    (#    396:10  Unique         2.37, 2.44 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 527, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HB2          31 CYS  HN          3.50    (#    398:10  Unique         2.11, 2.18 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 140, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  MDY          31 CYS  HN          3.50    (#    401:10  Unique         3.14, 4.15 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   31 CYS  HB3          31 CYS  HN          2.70    (#    404:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 483, 479, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   30 LEU  HB3          31 CYS  HN          3.50    (#    405:10  Unique         2.95, 3.04 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 465, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HB2          31 CYS  HN          5.00    (#    406:10  Unique         4.16, 4.20 A)
 &rst
  ixpk= 406, nxpk= 10, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          31 CYS  HN          5.00    (#    407:10  Unique         3.53, 3.58 A)
 &rst
  ixpk= 407, nxpk= 10, iat= 139, 479, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:408     31 CYS  HN          5.00    (#    408:10  NMR Lookup Data     )
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 289, 290, 467,
 &end
#
#   34 CYS  HN           33 ASN  HN          2.70    (#    409:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 409, nxpk= 10, iat= 522, 508, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   32 ILE  HN           33 ASN  HN          5.00    (#    410:10  Unique         3.09, 3.26 A)
 &rst
  ixpk= 410, nxpk= 10, iat= 489, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 CYS  HA           33 ASN  HN          5.00    (#    411:10  Resolved postSane   )
 &rst
  ixpk= 411, nxpk= 10, iat= 481, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 ASN  HA           33 ASN  HN          3.50    (#    412:10  Preassigned    2.82, 2.84 A)
 &rst
  ixpk= 412, nxpk= 10, iat= 510, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HA           33 ASN  HN          3.50    (#    413:10  Unique         3.55, 3.60 A)
 &rst
  ixpk= 413, nxpk= 10, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB2          33 ASN  HN          5.00    (#    414:10  Unique         4.72, 5.00 A)
 &rst
  ixpk= 414, nxpk= 10, iat= 484, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:415     33 ASN  HN          2.70    (#    415:10  Resolved postSane   )
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 512, 513, 512, 513,
 &end
#
#   32 ILE  HB           33 ASN  HN          3.50    (#    416:10  Unique         2.40, 2.43 A)
 &rst
  ixpk= 416, nxpk= 10, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         33 ASN  HN          5.00    (#    417:10  Unique         3.90, 4.42 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         33 ASN  HN          5.00    (#    418:10  Unique         3.90, 4.42 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 499, 500,
 &end
#
#   32 ILE  MD1          33 ASN  HN          6.00    (#    420:10  Unique         5.14, 5.81 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 502, 503, 504,
 &end
#
#   10 ASN  HN           11 GLU  HN          3.50    (#    421:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           11 GLU  HN          2.70    (#    422:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 174, 159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HN           11 GLU  HN          5.00    (#    423:10  Unique         3.54, 3.57 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 184, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HA           11 GLU  HN          5.00    (#    424:10  Unique         3.26, 3.30 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 462, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#    425:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 161, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HA           11 GLU  HN          3.50    (#    426:10  Unique         3.41, 3.44 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 147, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 CYS  HA           11 GLU  HN          5.00    (#    427:10  Unique         3.62, 3.63 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 137, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          11 GLU  HN          5.00    (#    428:10  Unique         3.93, 4.00 A)
 &rst
  ixpk= 428, nxpk= 10, iat= 139, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ASN  HB+          11 GLU  HN          5.00    (#    429:10  Unique         3.06, 3.64 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 149, 150,
 &end
#
#   11 GLU  HB2          11 GLU  HN          2.70    (#    430:10  Resolved postSane   )
 &rst
  ixpk= 430, nxpk= 10, iat= 163, 159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HB3          11 GLU  HN          3.50    (#    431:10  Unique         3.70, 3.74 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 164, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ASN  HB-          11 GLU  HN          6.00    (#    432:10  Unique         3.06, 3.64 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 149, 150,
 &end
#
#   30 LEU  MDY          11 GLU  HN          2.70    (#    433:10  Unique         2.30, 3.13 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   10 ASN  HN           12 CYS  HN          5.00    (#    435:10  Unique         4.45, 4.52 A)
 &rst
  ixpk= 435, nxpk= 10, iat= 145, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HN           12 CYS  HN          2.70    (#    436:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 436, nxpk= 10, iat= 159, 174, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HN           12 CYS  HN          2.70    (#    437:10  Unique         2.08, 2.15 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 184, 174, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HA           12 CYS  HN          3.50    (#    438:10  Unique         3.49, 3.52 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 161, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB 10-2:439      12 CYS  HN          5.00    (#    439:10  Resolved postSane   )
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 186, 147,
 &end
#
#    9 CYS  HB3          12 CYS  HN          3.50    (#    440:10  Unique         2.81, 2.89 A)
 &rst
  ixpk= 440, nxpk= 10, iat= 139, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB+          12 CYS  HN          3.50    (#    441:10  Unique         2.58, 3.19 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 178,
 &end
#
#   11 GLU  HB3          12 CYS  HN          3.50    (#    443:10  Unique         3.49, 3.55 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 164, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLU  HB2          12 CYS  HN          3.50    (#    444:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 163, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB-          12 CYS  HN          2.70    (#    446:10  Unique         2.58, 3.19 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:447     12 CYS  HN          5.00    (#    447:10  Resolved postSane   )
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 195, 194,
 &end
#
#   30 LEU  MDY          12 CYS  HN          5.00    (#    448:10  Resolved postSane   )
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  10-2:450      6 VAL  HN          5.00    (#    450:10  NMR Lookup Data     )
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  28,  40,
 &end
#
#    5 PHE  HN            6 VAL  HN          3.50    (#    451:10  Unique         2.00, 2.17 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  64,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HA            6 VAL  HN          3.50    (#    452:10  Unique         3.32, 3.41 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  66,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  HA            6 VAL  HN          3.50    (#    453:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  86,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:454      6 VAL  HN          5.00    (#    454:10  NMR Lookup Data     )
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  50,  68,  69,
 &end
#
#    5 PHE  HB-           6 VAL  HN          5.00    (#    455:10  Unique         3.38, 4.02 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    3 ASP  HB-           6 VAL  HN          5.00    (#    456:10  Unique         2.37, 3.80 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  32,  33,
 &end
#
#    6 VAL  HB            6 VAL  HN          3.50    (#    457:10  Unique         1.87, 1.96 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  88,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  MG2           6 VAL  HN          3.50    (#    458:10  Resolved postSane   )
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  94,  95,  96,
 &end
#
#    6 VAL  HN            5 PHE  HN          5.00    (#    459:10  Unique         2.00, 2.17 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  84,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 PHE  HD            5 PHE  HN          6.00    (#    460:10  Unique         2.44, 3.32 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  72,  80,
 &end
#
#    5 PHE  HA            5 PHE  HN          5.00    (#    461:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HA            5 PHE  HN          5.00    (#    462:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:463      5 PHE  HN          5.00    (#    463:10  NMR Lookup Data     )
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  50,  51,
 &end
#
#    0 AMB  10-2:464      5 PHE  HN          5.00    (#    464:10  Resolved postSane   )
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  44,  45,  44,  45,
 &end
#
#   21 HIS  HN           30 LEU  HN          5.00    (#    465:10  Unique         4.87, 4.92 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 333, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:468     30 LEU  HN          6.00    (#    468:10  NMR Lookup Data     )
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 350, 159, 285,
 &end
#
#   29 ASP  HN           30 LEU  HN          5.00    (#    469:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 469, nxpk= 10, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP  HD1          30 LEU  HN          5.00    (#    471:10  Unique         4.51, 4.63 A)
 &rst
  ixpk= 471, nxpk= 10, iat= 317, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HA           30 LEU  HN          5.00    (#    473:10  Unique         3.61, 3.65 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 335, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:474     30 LEU  HN          5.00    (#    474:10  Resolved postSane   )
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 287, 481,
 &end
#
#    9 CYS  HA           30 LEU  HN          6.00    (#    476:10  Unique         3.71, 3.78 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 137, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:477     30 LEU  HN          2.70    (#    477:10 edinted  NMR Lookup Data     )
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 313, 314,
 &end
#
#   30 LEU  HB2          30 LEU  HN          3.50    (#    478:10  Unique         2.67, 2.70 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ASP  HB3          30 LEU  HN          2.70    (#    479:10  Unique         2.48, 2.69 A)
 &rst
  ixpk= 479, nxpk= 10, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   44 MET  ME           30 LEU  HN          5.00    (#    480:10  Unique         3.97, 4.23 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 695, 696, 697,
 &end
#
#    0 AMB  10-2:481     30 LEU  HN          3.50    (#    481:10  NMR Lookup Data     )
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 289, 290, 467,
 &end
#
#    0 AMB  10-2:482     30 LEU  HN          3.50    (#    482:10  edited NMR Lookup Data     )
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 293, 473, 474, 475,
 &end
#
#   30 LEU  MDX          30 LEU  HN          5.00    (#    483:10  Unique         4.91, 5.49 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HB3          30 LEU  HN          5.00    (#    485:10  Unique         3.73, 3.76 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 465, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:486     30 LEU  HN          3.50    (#    486:10  Resolved postSane   )
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 295, 452,
 &end
#
#    0 AMB  10-2:487     32 ILE  HN          5.00    (#    487:10  Resolved postSane   )
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 522, 479,
 &end
#
#   33 ASN  HN           32 ILE  HN          3.50    (#    488:10  Unique         3.09, 3.26 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 508, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:490     32 ILE  HN          2.70    (#    490:10  Resolved postSane   )
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 481, 287,
 &end
#
#   32 ILE  HA           32 ILE  HN          2.70    (#    491:10  Unique         2.69, 2.72 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 491, 489, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   31 CYS  HB2          32 ILE  HN          3.50    (#    492:10  Unique         3.89, 3.94 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 CYS  HB3          32 ILE  HN          5.00    (#    493:10  Unique         2.90, 2.98 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:494     32 ILE  HN          5.00    (#    494:10  NMR Lookup Data     )
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 140, 313,
 &end
#
#   32 ILE  HB           32 ILE  HN          3.50    (#    495:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 493, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 ILE  HG1+         32 ILE  HN          3.50    (#    496:10  Unique         1.93, 2.81 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 499, 500,
 &end
#
#   32 ILE  HG1-         32 ILE  HN          2.70    (#    497:10  Unique         1.93, 2.81 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 499, 500,
 &end
#
#   32 ILE  MD1          32 ILE  HN          3.50    (#    499:10  Unique         2.41, 3.41 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 502, 503, 504,
 &end
#
#   16 VAL  MG2          32 ILE  HN          6.00    (#    500:10  Unique         4.67, 5.56 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   17 GLU  HA           18 THR  HN          5.00    (#    501:10  Unique         3.13, 3.32 A)
 &rst
  ixpk= 501, nxpk= 10, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:502     18 THR  HN          3.50    (#    502:10  Resolved postSane   )
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 275, 273,
 &end
#
#    0 AMB  10-2:503     18 THR  HN          3.50    (#    503:10  Resolved postSane   )
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 263, 264,
 &end
#
#   17 GLU  HB+          18 THR  HN          3.50    (#    504:10  Unique         1.88, 3.20 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 260, 261,
 &end
#
#   17 GLU  HB-          18 THR  HN          5.00    (#    505:10  Unique         1.88, 3.20 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 260, 261,
 &end
#
#   18 THR  MG2          18 THR  HN          5.00    (#    506:10  Resolved postSane   )
 &rst
  ixpk= 506, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 277, 278, 279,
 &end
#
#   43 LYS  HN           42 HIS  HN          5.00    (#    507:10  Resolved postSane   )
 &rst
  ixpk= 507, nxpk= 10, iat= 662, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 HIS  HE1          42 HIS  HN          5.00    (#    508:10  Unique         5.55, 5.71 A)
 &rst
  ixpk= 508, nxpk= 10, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 HIS  HD2          42 HIS  HN          2.70    (#    509:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 509, nxpk= 10, iat= 627, 645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   42 HIS  HD2          42 HIS  HN          3.50    (#    510:10  Unique         3.98, 4.09 A)
 &rst
  ixpk= 510, nxpk= 10, iat= 658, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HA           42 HIS  HN          5.00    (#    511:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 511, nxpk= 10, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HG1          42 HIS  HN          6.00    (#    513:10  Unique         3.66, 3.75 A)
 &rst
  ixpk= 513, nxpk= 10, iat= 692, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HB           42 HIS  HN          6.00    (#    514:10  Unique         6.13, 6.16 A)
 &rst
  ixpk= 514, nxpk= 10, iat= 378, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:516     42 HIS  HN          3.50    (#    516:10  Resolved postSane   )
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619, 618, 619,
 &end
#
#   42 HIS  HB3          42 HIS  HN          3.50    (#    517:10  Unique         3.53, 3.56 A)
 &rst
  ixpk= 517, nxpk= 10, iat= 650, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HB2          42 HIS  HN          2.70    (#    519:10  Unique         2.35, 2.42 A)
 &rst
  ixpk= 519, nxpk= 10, iat= 649, 645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   41 THR  HA           42 HIS  HN          3.50    (#    520:10  Unique         2.88, 3.08 A)
 &rst
  ixpk= 520, nxpk= 10, iat= 633, 645, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  MG2          18 THR  HN          6.00    (#    521:10  Unique         3.32, 5.52 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 250, 251, 252,
 &end
#
#   21 HIS  HN           45 VAL  HN          2.70    (#    522:10  Preassigned    2.82, 2.88 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 333, 701, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   46 LYS  HN           45 VAL  HN          5.00    (#    523:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 717, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HZ2          45 VAL  HN          6.00    (#    524:10  Unique         5.38, 5.44 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 752, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 HIS  HD2          45 VAL  HN          6.00    (#    525:10  Resolved postSane   )
 &rst
  ixpk= 525, nxpk= 10, iat= 346, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 MET  HA           45 VAL  HN          2.70    (#    527:10  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 527, nxpk= 10, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   45 VAL  HA           45 VAL  HN          5.00    (#    528:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 703, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 HIS  HB+          45 VAL  HN          3.50    (#    531:10  Unique         3.42, 4.29 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 337, 338,
 &end
#
#   21 HIS  HB-          45 VAL  HN          5.00    (#    532:10  Unique         3.42, 4.29 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 337, 338,
 &end
#
#    0 AMB  10-2:533     45 VAL  HN          2.70    (#    533:10  Resolved postSane   )
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 688, 689, 688, 689,
 &end
#
#   45 VAL  HB           45 VAL  HN          3.50    (#    534:10  Unique         3.49, 3.50 A)
 &rst
  ixpk= 534, nxpk= 10, iat= 705, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 THR  HG21         45 VAL  HN          3.50    (#    535:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 535, nxpk= 10, iat= 366, 701, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 VAL  MG2          45 VAL  HN          2.70    (#    537:10  Unique         2.08, 2.63 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 711, 712, 713,
 &end
#
#   44 MET  HG2          45 VAL  HN          6.00    (#    538:10  Unique         3.83, 3.90 A)
 &rst
  ixpk= 538, nxpk= 10, iat= 691, 701, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 VAL  HN           23 THR  HN          2.70    (#    539:10  Unique         1.92, 1.95 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 374, 360, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   25 CYS  HN           23 THR  HN          5.00    (#    540:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 390, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 VAL  HN           23 THR  HN          5.00    (#    541:10  Resolved postSane   )
 &rst
  ixpk= 541, nxpk= 10, iat= 701, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 MET  HA           23 THR  HN          3.50    (#    542:10  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 686, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HA           23 THR  HN          2.70    (#    543:10  Unique         2.07, 2.09 A)
 &rst
  ixpk= 543, nxpk= 10, iat= 352, 360, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   24 VAL  HA           23 THR  HN          6.00    (#    544:10  Unique         4.51, 4.55 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 376, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 HIS  HB2          23 THR  HN          6.00    (#    545:10  Unique         4.87, 4.96 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 649, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB+          23 THR  HN          3.50    (#    546:10  Resolved postSane   )
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 355, 354,
 &end
#
#   42 HIS  HB3          23 THR  HN          5.00    (#    547:10  Unique         5.04, 5.07 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 650, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 CYS  HB-          23 THR  HN          5.00    (#    548:10  Unique         3.62, 4.06 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 355, 354,
 &end
#
#   44 MET  HG1          23 THR  HN          3.50    (#    549:10  Unique         3.78, 3.84 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 692, 360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:550     23 THR  HN          5.00    (#    550:10  NMR Lookup Data     )
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 666, 695, 696, 697,
 &end
#
#    0 AMB  10-2:551     23 THR  HN          2.70    (#    551:10  Resolved postSane   )
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
 igr1= 370, 366,
 &end
#
#   24 VAL  HB           23 THR  HN          5.00    (#    552:10  Unique         3.37, 3.42 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 378, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 VAL  MG1          23 THR  HN          3.50    (#    553:10  Unique         2.21, 3.08 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 380, 381, 382,
 &end
#
#   15 HIS  HD2          16 VAL  HN          5.00    (#    554:10  Unique         2.40, 3.09 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 HIS  HA           16 VAL  HN          2.70    (#    556:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HA           16 VAL  HN          3.50    (#    557:10  Unique         2.65, 2.87 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 123, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  HB           16 VAL  HN          6.00    (#    559:10  Unique         5.41, 5.61 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 125, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:560     16 VAL  HN          3.50    (#    560:10  Resolved postSane   )
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228, 227, 228,
 &end
#
#    7 TYR  HB2          16 VAL  HN          5.00    (#    561:10  Unique         3.77, 4.12 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 104, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 TYR  HB3          16 VAL  HN          6.00    (#    562:10  Resolved postSane   )
 &rst
  ixpk= 562, nxpk= 10, iat= 105, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  HB           16 VAL  HN          6.00    (#    563:10  Resolved postSane   )
 &rst
  ixpk= 563, nxpk= 10, iat= 244, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 VAL  MG1          16 VAL  HN          3.50    (#    565:10  Unique         2.98, 3.84 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 246, 247, 248,
 &end
#
#   16 VAL  MG2          16 VAL  HN          2.70    (#    566:10  Unique         2.12, 3.02 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1= 250, 251, 252,
 &end
#
#    0 AMB  10-2:567     16 VAL  HN          5.00    (#    567:10  Resolved postSane   )
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  94,  95,  96,  90,  91,  92,
 &end
#
#   28 TYR  HE1          10 ASN  HD2+        6.00    (#    570:10  Unique         2.25, 5.00 A)
 &rst
  ixpk= 570, nxpk= 10, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 154, 155,
 &end
#
#   10 ASN  HA           10 ASN  HD2+        5.00    (#    572:10  Unique         3.09, 3.66 A)
 &rst
  ixpk= 572, nxpk= 10, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB+          10 ASN  HD2+        3.50    (#    573:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB-          10 ASN  HD2+        5.00    (#    574:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   28 TYR  HD1          10 ASN  HD2-        5.00    (#    576:10  Unique         2.64, 4.18 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   28 TYR  HA           10 ASN  HD2-        5.00    (#    577:10  Resolved postSane   )
 &rst
  ixpk= 577, nxpk= 10, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HA           10 ASN  HD2-        5.00    (#    578:10  Unique         3.09, 3.66 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB+          10 ASN  HD2-        3.50    (#    579:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   10 ASN  HB-          10 ASN  HD2-        5.00    (#    580:10  Unique         2.14, 3.34 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 149, 150,
 igr2= 154, 155,
 &end
#
#   11 GLU  HN           13 LYS  HN          3.50    (#    581:10  Unique         3.54, 3.57 A)
 &rst
  ixpk= 581, nxpk= 10, iat= 159, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HN           13 LYS  HN          2.70    (#    582:10  Unique         2.08, 2.15 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 174, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11 GLU  HA           13 LYS  HN          6.00    (#    583:10  Resolved postSane   )
 &rst
  ixpk= 583, nxpk= 10, iat= 161, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 LYS  HA           13 LYS  HN          2.70    (#    584:10  Unique         2.22, 2.26 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HB           13 LYS  HN          5.00    (#    585:10  Unique         4.65, 4.88 A)
 &rst
  ixpk= 585, nxpk= 10, iat= 125, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 CYS  HB3          13 LYS  HN          3.50    (#    586:10  Unique         3.48, 3.52 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 139, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 CYS  HB+          13 LYS  HN          5.00    (#    587:10  Unique         2.84, 3.44 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:588     13 LYS  HN          6.00    (#    588:10  NMR Lookup Data     )
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 197, 198,
 &end
#
#    9 CYS  HB2          13 LYS  HN          5.00    (#    589:10  Unique         5.05, 5.07 A)
 &rst
  ixpk= 589, nxpk= 10, iat= 140, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:590     13 LYS  HN          6.00    (#    590:10  NMR Lookup Data     )
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 163, 166,
 &end
#
#   13 LYS  HB3          13 LYS  HN          5.00    (#    592:10  Unique         4.04, 4.10 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 189, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 LYS  HG-          13 LYS  HN          5.00    (#    594:10  Unique         3.41, 4.11 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
#   13 LYS  HG+          13 LYS  HN          6.00    (#    595:10  Unique         3.64, 4.20 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 191, 192,
 &end
#
#    8 THR  MG2          13 LYS  HN          5.00    (#    596:10  Resolved postSane   )
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 128, 129,
 &end
#
#   12 CYS  HB-          13 LYS  HN          5.00    (#    597:10  Unique         2.84, 3.44 A)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 179, 178,
 &end
#
#    0 AMB  10-2:599     33 ASN  HD2+        5.00    (#    599:10  Resolved postSane   )
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518,
 &end
#
#    0 AMB  10-2:601     33 ASN  HD2-        5.00    (#    601:10  Resolved postSane   )
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518,
 &end
#
#   34 CYS  HN           36 ASN  HN          5.00    (#    602:10  Unique         3.75, 3.82 A)
 &rst
  ixpk= 602, nxpk= 10, iat= 522, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HN           36 ASN  HN          3.50    (#    603:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 603, nxpk= 10, iat= 532, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           36 ASN  HN          5.00    (#    604:10  Unique         4.07, 4.24 A)
 &rst
  ixpk= 604, nxpk= 10, iat= 581, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:606     36 ASN  HN          6.00    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 549, 317, 540,
 &end
#
#   33 ASN  HA           36 ASN  HN          3.50    (#    607:10  Unique         3.31, 3.49 A)
 &rst
  ixpk= 607, nxpk= 10, iat= 510, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HA           36 ASN  HN          2.70    (#    608:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 555, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   34 CYS  HA           36 ASN  HN          5.00    (#    609:10  Unique         4.20, 4.28 A)
 &rst
  ixpk= 609, nxpk= 10, iat= 524, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  MG2          36 ASN  HN          5.00    (#    610:10  Unique         4.89, 6.00 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 573, 574, 575,
 &end
#
#   32 ILE  MG2          36 ASN  HN          5.00    (#    611:10  Unique         4.08, 4.93 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 495, 496, 497,
 &end
#
#   30 LEU  MDX          36 ASN  HN          5.00    (#    612:10  Unique         5.01, 5.79 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#   30 LEU  HB3          36 ASN  HN          6.00    (#    613:10  Resolved postSane   )
 &rst
  ixpk= 613, nxpk= 10, iat= 465, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HB3          36 ASN  HN          2.70    (#    614:10  Unique         2.37, 2.50 A)
 &rst
  ixpk= 614, nxpk= 10, iat= 537, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   36 ASN  HB2          36 ASN  HN          2.70    (#    615:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 557, 553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   36 ASN  HB3          36 ASN  HN          3.50    (#    616:10  Unique         3.08, 3.34 A)
 &rst
  ixpk= 616, nxpk= 10, iat= 558, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:617     36 ASN  HN          3.50    (#    617:10  Resolved postSane   )
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 491,
 &end
#
#    0 AMB  10-2:618      0 AMB  10-1:618    5.00    (#    618:10  Resolved postSane   )
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 605, 633,
 igr2= 603, 631,
 &end
#
#    0 AMB  10-2:619      0 AMB  10-1:619    6.00    (#    619:10  Resolved postSane   )
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 635, 607, 608, 607, 608,
 igr2= 631, 603,
 &end
#
#    0 AMB  10-2:620      8 THR  HN          5.00    (#    620:10  NMR Lookup Data     )
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240, 135,
 &end
#
#    7 TYR  HD1           8 THR  HN          6.00    (#    621:10  Resolved postSane   )
 &rst
  ixpk= 621, nxpk= 10, iat= 108, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA            8 THR  HN          2.70    (#    623:10  Resolved postSane   )
 &rst
  ixpk= 623, nxpk= 10, iat= 102, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8 THR  HB            8 THR  HN          3.50    (#    624:10  Unique         3.43, 3.50 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 125, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HB2           8 THR  HN          3.50    (#    625:10  Unique         2.96, 3.13 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HB3           8 THR  HN          3.50    (#    626:10  Unique         1.93, 2.18 A)
 &rst
  ixpk= 626, nxpk= 10, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 THR  MG2           8 THR  HN          5.00    (#    627:10  Unique         3.55, 4.41 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 127, 128, 129,
 &end
#
#   16 VAL  MG2           8 THR  HN          5.00    (#    628:10  Unique         3.48, 4.33 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 250, 251, 252,
 &end
#
#    6 VAL  MG1           8 THR  HN          6.00    (#    631:10  Unique         5.50, 6.40 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  90,  91,  92,
 &end
#
#   36 ASN  HB2          36 ASN  HD2-        3.50    (#    634:10  Unique         2.21, 3.18 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 562, 563,
 &end
#
#   32 ILE  MG2          36 ASN  HD2-        3.50    (#    636:10  Unique         2.60, 3.95 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 495, 496, 497,
 igr2= 562, 563,
 &end
#
#   33 ASN  HA           36 ASN  HD2+        6.00    (#    641:10  Unique         3.84, 4.98 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   36 ASN  HA           36 ASN  HD2+        6.00    (#    642:10  Unique         1.98, 3.13 A)
 &rst
  ixpk= 642, nxpk= 10, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   36 ASN  HB2          36 ASN  HD2+        3.50    (#    643:10  Unique         2.21, 3.18 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 562, 563,
 &end
#
#   32 ILE  MG2          36 ASN  HD2+        5.00    (#    645:10  Unique         2.60, 3.95 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 495, 496, 497,
 igr2= 562, 563,
 &end
#
#    2 GLN  HB+           2 GLN  HE2-        5.00    (#    648:10  Unique         2.07, 3.83 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  15,  16,
 igr2=  23,  24,
 &end
#
#    2 GLN  HB+           2 GLN  HE2+        5.00    (#    650:10  Unique         2.07, 3.83 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  15,  16,
 igr2=  23,  24,
 &end
#
#   47 TRP  HA           48 GLY  HN          5.00    (#    651:10  Unique         2.16, 2.33 A)
 &rst
  ixpk= 651, nxpk= 10, iat= 741, 763, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA2          48 GLY  HN          5.00    (#    652:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 652, nxpk= 10, iat= 765, 763, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 GLY  HA1          48 GLY  HN          3.50    (#    653:10  Unique         2.71, 2.84 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 766, 763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HB+          48 GLY  HN          5.00    (#    654:10  Unique         2.89, 3.77 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   47 TRP  HB-          48 GLY  HN          5.00    (#    655:10  Unique         2.89, 3.77 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 763, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 743, 744,
 &end
#
#   49 LEU  HA           50 GLY  HN          6.00    (#    656:10  Unique         2.24, 2.41 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 772, 789, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:657     50 GLY  HN          5.00    (#    657:10  Resolved postSane   )
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 792, 791,
 &end
#
#   38 LYS  HN           37 THR  HN          2.70    (#    658:10  Unique         2.31, 2.62 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 581, 567, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:659     37 THR  HN          3.50    (#    659:10  NMR Lookup Data     )
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 553, 603,
 &end
#
#   37 THR  HA           37 THR  HN          3.50    (#    661:10  Resolved postSane   )
 &rst
  ixpk= 661, nxpk= 10, iat= 569, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB2          37 THR  HN          3.50    (#    662:10  Unique         2.68, 3.15 A)
 &rst
  ixpk= 662, nxpk= 10, iat= 557, 567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB3          37 THR  HN          5.00    (#    663:10  Unique         2.43, 2.93 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 558, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 LYS  HB+          37 THR  HN          5.00    (#    664:10  Resolved postSane   )
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 585, 586,
 &end
#
#   38 LYS  HG-          37 THR  HN          5.00    (#    665:10  Unique         3.72, 4.10 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 588, 589,
 &end
#
#   37 THR  MG2          37 THR  HN          3.50    (#    666:10  Unique         2.27, 3.34 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 573, 574, 575,
 &end
#
#   35 TYR  HA           37 THR  HN          6.00    (#    667:10  Resolved postSane   )
 &rst
  ixpk= 667, nxpk= 10, iat= 534, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 CYS  HA           37 THR  HN          5.00    (#    669:10  Preassigned    3.05, 3.23 A)
 &rst
  ixpk= 669, nxpk= 10, iat= 524, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          36 ASN  HN          6.00    (#    679:10  Unique         5.67, 5.78 A)
 &rst
  ixpk= 679, nxpk= 10, iat= 464, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 CYS  HN           12 CYS  HN          6.00    (#    682:10  Unique         4.87, 4.97 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 479, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 CYS  HB2          11 GLU  HN          5.00    (#    683:10  Unique         4.43, 4.49 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 140, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LEU  HB2          35 TYR  HN          5.00    (#    686:10  Unique         3.48, 3.56 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 464, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 THR  HB           38 LYS  HN          5.00    (#    687:10  Unique         3.04, 3.60 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 571, 581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ASP  HB3          20 TRP  HN          5.00    (#    688:10  Resolved postSane   )
 &rst
  ixpk= 688, nxpk= 10, iat= 453, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:689     25 CYS  HN          6.00    (#    689:10  NMR Lookup Data     )
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 400, 415,
 &end
#
#   34 CYS  HB3          34 CYS  HN          3.50    (#    690:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 690, nxpk= 10, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:691     23 THR  HN          5.00    (#    691:10  Resolved postSane   )
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 688, 689, 688, 689,
 &end
#
#   30 LEU  MDX          11 GLU  HN          6.00    (#    692:10  Unique         5.65, 6.07 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 469, 470, 471, 473, 474, 475,
 &end
#
#    0 AMB  10-2:693     11 GLU  HN          6.00    (#    693:10  Resolved postSane   )
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 194, 195,
 &end
#
#    0 AMB  10-2:694     12 CYS  HN          6.00    (#    694:10  Resolved postSane   )
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 198, 197,
 &end
#
#   34 CYS  HB3          12 CYS  HN          5.00    (#    695:10  Unique         5.41, 5.50 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 526, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:696     12 CYS  HN          5.00    (#    696:10  Resolved postSane   )
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 210, 211, 210, 211,
 &end
#
#    0 AMB  10-2:697     11 GLU  HN          5.00    (#    697:10  NMR Lookup Data     )
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 179, 178, 527,
 &end
#
#   17 GLU  HA            6 VAL  HN          5.00    (#    698:10  Resolved postSane   )
 &rst
  ixpk= 698, nxpk= 10, iat= 258,  84, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:699      6 VAL  HN          6.00    (#    699:10  Resolved postSane   )
 &rst
  ixpk= 699, nxpk= 10, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  44,  45,  44,  45,
 &end
#
#   35 TYR  HN           37 THR  HN          6.00    (#    700:10  Unique         4.22, 4.56 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 532, 567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 LYS  HA           39 SER  HN          6.00    (#    701:10  Resolved postSane   )
 &rst
  ixpk= 701, nxpk= 10, iat= 583, 603, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:702     39 SER  HN          6.00    (#    702:10  Resolved postSane   )
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 585, 586,
 &end
#
#    7 TYR  HN           16 VAL  HN          3.50    (#    705:10  Unique         2.60, 2.81 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 100, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:706      7 TYR  HN          5.00    (#    706:10  Resolved postSane   )
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 127, 128, 129, 246, 247, 248,
 &end
#
#   29 ASP  HA           30 LEU  HN          2.70    (#    707:10  Unique         2.31, 2.37 A)
 &rst
  ixpk= 707, nxpk= 10, iat= 450, 460, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   13 LYS  HE-          10 ASN  HN          5.00    (#    708:10  Unique edited  6.05, 6.19 A)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 197, 198,
 &end
#
#   48 GLY  HA2          47 TRP  HN          6.00    (#    709:10  Unique         4.84, 5.08 A)
 &rst
  ixpk= 709, nxpk= 10, iat= 765, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 TRP  HN           47 TRP  HN          5.00    (#    711:10  Unique         4.61, 4.81 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 309, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 TRP  HZ2          47 TRP  HE1         3.50    (#    714:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 752, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 VAL  HA           25 CYS  HN          3.50    (#    717:10  Unique         3.32, 3.36 A)
 &rst
  ixpk= 717, nxpk= 10, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 TYR  HB2          26 GLU  HN          5.00    (#    718:10  Unique         3.14, 3.41 A)
 &rst
  ixpk= 718, nxpk= 10, iat= 431, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 GLU  HB2          31 CYS  HN          6.00    (#    720:10  Resolved postSane   )
 &rst
  ixpk= 720, nxpk= 10, iat= 163, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PHE  HB-           5 PHE  HN          5.00    (#    721:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#    6 VAL  MG2           5 PHE  HN          6.00    (#    722:10  Resolved postSane   )
 &rst
  ixpk= 722, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  94,  95,  96,
 &end
#
#    0 AMB  10-2:723      5 PHE  HN          6.00    (#    723:10  NMR Lookup Data     )
 &rst
  ixpk= 723, nxpk= 10, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  47,  48,
 &end
#
#    0 AMB  10-2:724     30 LEU  HN          6.00    (#    724:10  NMR Lookup Data     )
 &rst
  ixpk= 724, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 534, 719, 491,
 &end
#
#   11 GLU  HA           10 ASN  HD2+        5.00    (#    725:10  Unique         4.00, 6.29 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 154, 155,
 &end
#
#    0 AMB  10-2:726     36 ASN  HN          3.50    (#    726:10  Resolved postSane   )
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 553, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 562, 563, 567,
 &end
#
#    0 AMB  10-2:729     46 LYS  HN          6.00    (#    729:10  Resolved postSane   )
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 688, 689, 688, 689,
 &end
#
#    0 AMB  10-2:734     25 CYS  HN          6.00    (#    734:10  Resolved postSane   )
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 370, 366,
 &end
#
#    0 AMB  10-2:736     25 CYS  HN          6.00    (#    736:10  NMR Lookup Data     )
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 417, 429,
 &end
#
#   20 TRP  HE3          20 TRP  HN          5.00    (#    738:10  Unique edited  5.31, 5.39 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 328, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HIS  HD2           8 THR  HN          6.00    (#    743:10  Unique         4.56, 5.16 A)
 &rst
  ixpk= 743, nxpk= 10, iat= 236, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HN           23 THR  HN          5.00    (#    745:10  Resolved postSane   )
 &rst
  ixpk= 745, nxpk= 10, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 CYS  HA           12 CYS  HN          3.50    (#    746:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 746, nxpk= 10, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 HIS  HA           43 LYS  HN          2.70    (#    747:10  Unique         2.40, 2.48 A)
 &rst
  ixpk= 747, nxpk= 10, iat= 647, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
# 828 atoms read from pdb file zz_amber_gb2.pdb.
# 2 GLN PHI:  (1 GLY C)-(2 GLN N)-(2 GLN CA)-(2 GLN C) -180.0 -60.0
 &rst     iat =     8,    10,    12,    25,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 2 GLN PSI:  (2 GLN N)-(2 GLN CA)-(2 GLN C)-(3 ASP N)  80.0 200.0
 &rst     iat =    10,    12,    25,    27,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 3 ASP PHI:  (2 GLN C)-(3 ASP N)-(3 ASP CA)-(3 ASP C) -180.0 -60.0
 &rst     iat =    25,    27,    29,    37,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 3 ASP PSI:  (3 ASP N)-(3 ASP CA)-(3 ASP C)-(4 ARG N)  80.0 200.0
 &rst     iat =    27,    29,    37,    39,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 6 VAL PHI:  (5 PHE C)-(6 VAL N)-(6 VAL CA)-(6 VAL C) -180.0 -60.0
 &rst     iat =    81,    83,    85,    97,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 6 VAL PSI:  (6 VAL N)-(6 VAL CA)-(6 VAL C)-(7 TYR N)  80.0 200.0
 &rst     iat =    83,    85,    97,    99,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 7 TYR PHI:  (6 VAL C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -180.0 -60.0
 &rst     iat =    97,    99,   101,   118,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 7 TYR PSI:  (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 THR N)  80.0 200.0
 &rst     iat =    99,   101,   118,   120,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 8 THR PHI:  (7 TYR C)-(8 THR N)-(8 THR CA)-(8 THR C) -180.0 -60.0
 &rst     iat =   118,   120,   122,   132,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 8 THR PSI:  (8 THR N)-(8 THR CA)-(8 THR C)-(9 CYM N)  80.0 200.0
 &rst     iat =   120,   122,   132,   134,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 10 ASN PHI:  (9 CYM C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -100.0 -20.0
 &rst     iat =   142,   144,   146,   156,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 GLU N) -90.0   0.0
 &rst     iat =   144,   146,   156,   158,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 13 LYS PHI:  (12 CYM C)-(13 LYS N)-(13 LYS CA)-(13 LYS C)  30.0  90.0
 &rst     iat =   181,   183,   185,   203,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 HIE N)   0.0  80.0
 &rst     iat =   183,   185,   203,   205,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 14 HIS PHI:  (13 LYS C)-(14 HIE N)-(14 HIE CA)-(14 HIE C) -180.0 -60.0
 &rst     iat =   203,   205,   207,   220,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 14 HIS PSI:  (14 HIE N)-(14 HIE CA)-(14 HIE C)-(15 HIE N)  80.0 200.0
 &rst     iat =   205,   207,   220,   222,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 15 HIS PHI:  (14 HIE C)-(15 HIE N)-(15 HIE CA)-(15 HIE C) -180.0 -60.0
 &rst     iat =   220,   222,   224,   237,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 15 HIS PSI:  (15 HIE N)-(15 HIE CA)-(15 HIE C)-(16 VAL N)  80.0 200.0
 &rst     iat =   222,   224,   237,   239,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 16 VAL PHI:  (15 HIE C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -180.0 -60.0
 &rst     iat =   237,   239,   241,   253,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 GLU N)  80.0 200.0
 &rst     iat =   239,   241,   253,   255,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 18 THR PHI:  (17 GLU C)-(18 THR N)-(18 THR CA)-(18 THR C) -180.0 -60.0
 &rst     iat =   268,   270,   272,   282,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 18 THR PSI:  (18 THR N)-(18 THR CA)-(18 THR C)-(19 ARG N)  80.0 200.0
 &rst     iat =   270,   272,   282,   284,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 19 ARG PHI:  (18 THR C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -180.0 -60.0
 &rst     iat =   282,   284,   286,   306,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 19 ARG PSI:  (19 ARG N)-(19 ARG CA)-(19 ARG C)-(20 TRP N)  80.0 200.0
 &rst     iat =   284,   286,   306,   308,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 20 TRP PHI:  (19 ARG C)-(20 TRP N)-(20 TRP CA)-(20 TRP C) -180.0 -60.0
 &rst     iat =   306,   308,   310,   330,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 20 TRP PSI:  (20 TRP N)-(20 TRP CA)-(20 TRP C)-(21 HIE N)  80.0 200.0
 &rst     iat =   308,   310,   330,   332,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 21 HIS PHI:  (20 TRP C)-(21 HIE N)-(21 HIE CA)-(21 HIE C) -180.0 -60.0
 &rst     iat =   330,   332,   334,   347,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 21 HIS PSI:  (21 HIE N)-(21 HIE CA)-(21 HIE C)-(22 CYM N)  80.0 200.0
 &rst     iat =   332,   334,   347,   349,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 23 THR PHI:  (22 CYM C)-(23 THR N)-(23 THR CA)-(23 THR C) -100.0 -20.0
 &rst     iat =   357,   359,   361,   371,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 VAL N) -90.0   0.0
 &rst     iat =   359,   361,   371,   373,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 24 VAL PHI:  (23 THR C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -100.0 -20.0
 &rst     iat =   371,   373,   375,   387,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 CYM N) -90.0   0.0
 &rst     iat =   373,   375,   387,   389,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 27 ASP PHI:  (26 GLU C)-(27 ASP N)-(27 ASP CA)-(27 ASP C)  30.0  90.0
 &rst     iat =   412,   414,   416,   424,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 ASP PSI:  (27 ASP N)-(27 ASP CA)-(27 ASP C)-(28 TYR N)   0.0  80.0
 &rst     iat =   414,   416,   424,   426,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 28 TYR PHI:  (27 ASP C)-(28 TYR N)-(28 TYR CA)-(28 TYR C) -180.0 -60.0
 &rst     iat =   424,   426,   428,   445,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 28 TYR PSI:  (28 TYR N)-(28 TYR CA)-(28 TYR C)-(29 ASP N)  80.0 200.0
 &rst     iat =   426,   428,   445,   447,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 29 ASP PHI:  (28 TYR C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -180.0 -60.0
 &rst     iat =   445,   447,   449,   457,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 LEU N)  80.0 200.0
 &rst     iat =   447,   449,   457,   459,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 30 LEU PHI:  (29 ASP C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -180.0 -60.0
 &rst     iat =   457,   459,   461,   476,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 CYM N)  80.0 200.0
 &rst     iat =   459,   461,   476,   478,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 32 ILE PHI:  (31 CYM C)-(32 ILE N)-(32 ILE CA)-(32 ILE C) -100.0 -20.0
 &rst     iat =   486,   488,   490,   505,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 32 ILE PSI:  (32 ILE N)-(32 ILE CA)-(32 ILE C)-(33 ASN N) -90.0   0.0
 &rst     iat =   488,   490,   505,   507,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 33 ASN PHI:  (32 ILE C)-(33 ASN N)-(33 ASN CA)-(33 ASN C) -100.0 -20.0
 &rst     iat =   505,   507,   509,   519,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 33 ASN PSI:  (33 ASN N)-(33 ASN CA)-(33 ASN C)-(34 CYM N) -90.0   0.0
 &rst     iat =   507,   509,   519,   521,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 35 TYR PHI:  (34 CYM C)-(35 TYR N)-(35 TYR CA)-(35 TYR C) -100.0 -20.0
 &rst     iat =   529,   531,   533,   550,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 35 TYR PSI:  (35 TYR N)-(35 TYR CA)-(35 TYR C)-(36 ASN N) -90.0   0.0
 &rst     iat =   531,   533,   550,   552,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 36 ASN PHI:  (35 TYR C)-(36 ASN N)-(36 ASN CA)-(36 ASN C) -100.0 -20.0
 &rst     iat =   550,   552,   554,   564,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 THR N) -90.0   0.0
 &rst     iat =   552,   554,   564,   566,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 39 SER PHI:  (38 LYS C)-(39 SER N)-(39 SER CA)-(39 SER C)  30.0  90.0
 &rst     iat =   600,   602,   604,   611,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 39 SER PSI:  (39 SER N)-(39 SER CA)-(39 SER C)-(40 HID N)   0.0  80.0
 &rst     iat =   602,   604,   611,   613,
   r1 =  -1.0, r2 =   0.0, r3 =  80.0, r4 =  81.0,
 &end

# 40 HIS PHI:  (39 SER C)-(40 HID N)-(40 HID CA)-(40 HID C) -180.0 -60.0
 &rst     iat =   611,   613,   615,   628,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 40 HIS PSI:  (40 HID N)-(40 HID CA)-(40 HID C)-(41 THR N)  80.0 200.0
 &rst     iat =   613,   615,   628,   630,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 41 THR PHI:  (40 HID C)-(41 THR N)-(41 THR CA)-(41 THR C) -100.0 -20.0
 &rst     iat =   628,   630,   632,   642,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 HIE N) -90.0   0.0
 &rst     iat =   630,   632,   642,   644,
   r1 = -91.0, r2 = -90.0, r3 =   0.0, r4 =   1.0,
 &end

# 44 MET PHI:  (43 LYS C)-(44 MET N)-(44 MET CA)-(44 MET C) -180.0 -60.0
 &rst     iat =   681,   683,   685,   698,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 44 MET PSI:  (44 MET N)-(44 MET CA)-(44 MET C)-(45 VAL N)  80.0 200.0
 &rst     iat =   683,   685,   698,   700,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 47 TRP PHI:  (46 LYS C)-(47 TRP N)-(47 TRP CA)-(47 TRP C) -180.0 -60.0
 &rst     iat =   736,   738,   740,   760,
   r1 = -181.0, r2 = -180.0, r3 = -60.0, r4 = -59.0,
 &end

# 47 TRP PSI:  (47 TRP N)-(47 TRP CA)-(47 TRP C)-(48 GLY N)  80.0 200.0
 &rst     iat =   738,   740,   760,   762,
   r1 =  79.0, r2 =  80.0, r3 = 200.0, r4 = 201.0,
 &end

# 6 VAL CHI1:  (6 VAL N)-(6 VAL CA)-(6 VAL CB)-(6 VAL CG1) 150.0 210.0
 &rst     iat =    83,    85,    87,    89,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 TYR CHI1:  (7 TYR N)-(7 TYR CA)-(7 TYR CB)-(7 TYR CG) -90.0 -30.0
 &rst     iat =    99,   101,   103,   106,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 9 CYS CHI1:  (9 CYM N)-(9 CYM CA)-(9 CYM CB)-(9 CYM SG) 150.0 210.0
 &rst     iat =   134,   136,   138,   141,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 11 GLU CHI1:  (11 GLU N)-(11 GLU CA)-(11 GLU CB)-(11 GLU CG) -90.0 -30.0
 &rst     iat =   158,   160,   162,   165,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 13 LYS CHI1:  (13 LYS N)-(13 LYS CA)-(13 LYS CB)-(13 LYS CG) -90.0 -30.0
 &rst     iat =   183,   185,   187,   190,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 VAL CHI1:  (16 VAL N)-(16 VAL CA)-(16 VAL CB)-(16 VAL CG1) -90.0 -30.0
 &rst     iat =   239,   241,   243,   245,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 18 THR CHI1:  (18 THR N)-(18 THR CA)-(18 THR CB)-(18 THR OG1) -90.0 -30.0
 &rst     iat =   270,   272,   274,   280,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 20 TRP CHI1:  (20 TRP N)-(20 TRP CA)-(20 TRP CB)-(20 TRP CG) -90.0 -30.0
 &rst     iat =   308,   310,   312,   315,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 23 THR CHI1:  (23 THR N)-(23 THR CA)-(23 THR CB)-(23 THR OG1)  30.0  90.0
 &rst     iat =   359,   361,   363,   369,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 24 VAL CHI1:  (24 VAL N)-(24 VAL CA)-(24 VAL CB)-(24 VAL CG1)  30.0  90.0
 &rst     iat =   373,   375,   377,   379,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 27 ASP CHI1:  (27 ASP N)-(27 ASP CA)-(27 ASP CB)-(27 ASP CG) 150.0 210.0
 &rst     iat =   414,   416,   418,   421,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 TYR CHI1:  (28 TYR N)-(28 TYR CA)-(28 TYR CB)-(28 TYR CG) 150.0 210.0
 &rst     iat =   426,   428,   430,   433,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 29 ASP CHI1:  (29 ASP N)-(29 ASP CA)-(29 ASP CB)-(29 ASP CG) -90.0 -30.0
 &rst     iat =   447,   449,   451,   454,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -90.0 -30.0
 &rst     iat =   459,   461,   463,   466,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 31 CYS CHI1:  (31 CYM N)-(31 CYM CA)-(31 CYM CB)-(31 CYM SG)  30.0  90.0
 &rst     iat =   478,   480,   482,   485,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 34 CYS CHI1:  (34 CYM N)-(34 CYM CA)-(34 CYM CB)-(34 CYM SG) -90.0 -30.0
 &rst     iat =   521,   523,   525,   528,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 35 TYR CHI1:  (35 TYR N)-(35 TYR CA)-(35 TYR CB)-(35 TYR CG) 150.0 210.0
 &rst     iat =   531,   533,   535,   538,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 37 THR CHI1:  (37 THR N)-(37 THR CA)-(37 THR CB)-(37 THR OG1)  30.0  90.0
 &rst     iat =   566,   568,   570,   576,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 42 HIS CHI1:  (42 HIE N)-(42 HIE CA)-(42 HIE CB)-(42 HIE CG) -90.0 -30.0
 &rst     iat =   644,   646,   648,   651,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 43 LYS CHI1:  (43 LYS N)-(43 LYS CA)-(43 LYS CB)-(43 LYS CG) 150.0 210.0
 &rst     iat =   661,   663,   665,   668,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 45 VAL CHI1:  (45 VAL N)-(45 VAL CA)-(45 VAL CB)-(45 VAL CG1) -90.0 -30.0
 &rst     iat =   700,   702,   704,   706,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 46 LYS CHI1:  (46 LYS N)-(46 LYS CA)-(46 LYS CB)-(46 LYS CG) 150.0 210.0
 &rst     iat =   716,   718,   720,   723,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=14,20,18,19, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,25,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=29,34,32,33, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=27,37,30,31, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=43,49,47,48, &end
#
#  chirality for residue 4 atoms:  CG NE HD2 HD3
 &rst iat=46,52,50,51, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=39,61,42,43, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=63,81,66,67, &end
#
#  chirality for residue 6 atoms:  CA CG1 CG2 HB
 &rst iat=85,89,93,88, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=83,97,86,87, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=101,106,104,105, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=99,118,102,103, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=122,126,130,125, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=120,132,123,124, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=144,156,147,148, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=160,165,163,164, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=162,168,166,167, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=158,171,161,162, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=185,190,188,189, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=187,193,191,192, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=193,199,197,198, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=190,196,194,195, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=183,203,186,187, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=207,212,210,211, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=205,220,208,209, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=224,229,227,228, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=222,237,225,226, &end
#
#  chirality for residue 16 atoms:  CA CG1 CG2 HB
 &rst iat=241,245,249,244, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=239,253,242,243, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=257,262,260,261, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=259,265,263,264, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=255,268,258,259, &end
#
#  chirality for residue 18 atoms:  CA CG2 OG1 HB
 &rst iat=272,276,280,275, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=270,282,273,274, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=286,291,289,290, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=288,294,292,293, &end
#
#  chirality for residue 19 atoms:  CG NE HD2 HD3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=284,306,287,288, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=308,330,311,312, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=334,339,337,338, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=332,347,335,336, &end
#
#  chirality for residue 23 atoms:  CA CG2 OG1 HB
 &rst iat=361,365,369,364, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=359,371,362,363, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=375,379,383,378, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=373,387,376,377, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=403,409,407,408, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=399,412,402,403, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=414,424,417,418, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=426,445,429,430, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=449,454,452,453, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=447,457,450,451, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=463,468,472,467, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=459,476,462,463, &end
#
#  chirality for residue 32 atoms:  CA CG2 CG1 HB
 &rst iat=490,494,498,493, &end
#
#  chirality for residue 32 atoms:  CB CD1 2HG1 3HG1
 &rst iat=492,501,499,500, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=488,505,491,492, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=509,514,512,513, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=507,519,510,511, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=533,538,536,537, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=531,550,534,535, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=554,559,557,558, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=552,564,555,556, &end
#
#  chirality for residue 37 atoms:  CA CG2 OG1 HB
 &rst iat=568,572,576,571, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=566,578,569,570, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 38 atoms:  CD NZ HE2 HE3
 &rst iat=590,596,594,595, &end
#
#  chirality for residue 38 atoms:  CG CE HD2 HD3
 &rst iat=587,593,591,592, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=580,600,583,584, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=602,611,605,606, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=615,620,618,619, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=613,628,616,617, &end
#
#  chirality for residue 41 atoms:  CA CG2 OG1 HB
 &rst iat=632,636,640,635, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=630,642,633,634, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=646,651,649,650, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=644,659,647,648, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=663,668,666,667, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=665,671,669,670, &end
#
#  chirality for residue 43 atoms:  CD NZ HE2 HE3
 &rst iat=671,677,675,676, &end
#
#  chirality for residue 43 atoms:  CG CE HD2 HD3
 &rst iat=668,674,672,673, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=661,681,664,665, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=685,690,688,689, &end
#
#  chirality for residue 44 atoms:  CB SD HG2 HG3
 &rst iat=687,693,691,692, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=683,698,686,687, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=702,706,710,705, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=700,714,703,704, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=718,723,721,722, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=720,726,724,725, &end
#
#  chirality for residue 46 atoms:  CD NZ HE2 HE3
 &rst iat=726,732,730,731, &end
#
#  chirality for residue 46 atoms:  CG CE HD2 HD3
 &rst iat=723,729,727,728, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=716,736,719,720, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=740,745,743,744, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=738,760,741,742, &end
#
#  chirality for residue 48 atoms:  N C HA2 HA3
 &rst iat=762,767,765,766, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=771,776,774,775, &end
#
#  chirality for residue 49 atoms:  CB CD1 CD2 HG
 &rst iat=773,778,782,777, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=769,786,772,773, &end
#
#  chirality for residue 50 atoms:  N C HA2 HA3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=799,804,808,803, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=795,812,798,799, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=816,821,819,820, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=814,824,817,818, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=29,27,25,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=41,39,37,29, &end
#
#  trans-omega constraint for residue 5
 &rst iat=65,63,61,41, &end
#
#  trans-omega constraint for residue 6
 &rst iat=85,83,81,65, &end
#
#  trans-omega constraint for residue 7
 &rst iat=101,99,97,85, &end
#
#  trans-omega constraint for residue 8
 &rst iat=122,120,118,101, &end
#
#  trans-omega constraint for residue 9
 &rst iat=136,134,132,122, &end
#
#  trans-omega constraint for residue 10
 &rst iat=146,144,142,136, &end
#
#  trans-omega constraint for residue 11
 &rst iat=160,158,156,146, &end
#
#  trans-omega constraint for residue 12
 &rst iat=175,173,171,160, &end
#
#  trans-omega constraint for residue 13
 &rst iat=185,183,181,175, &end
#
#  trans-omega constraint for residue 14
 &rst iat=207,205,203,185, &end
#
#  trans-omega constraint for residue 15
 &rst iat=224,222,220,207, &end
#
#  trans-omega constraint for residue 16
 &rst iat=241,239,237,224, &end
#
#  trans-omega constraint for residue 17
 &rst iat=257,255,253,241, &end
#
#  trans-omega constraint for residue 18
 &rst iat=272,270,268,257, &end
#
#  trans-omega constraint for residue 19
 &rst iat=286,284,282,272, &end
#
#  trans-omega constraint for residue 20
 &rst iat=310,308,306,286, &end
#
#  trans-omega constraint for residue 21
 &rst iat=334,332,330,310, &end
#
#  trans-omega constraint for residue 22
 &rst iat=351,349,347,334, &end
#
#  trans-omega constraint for residue 23
 &rst iat=361,359,357,351, &end
#
#  trans-omega constraint for residue 24
 &rst iat=375,373,371,361, &end
#
#  trans-omega constraint for residue 25
 &rst iat=391,389,387,375, &end
#
#  trans-omega constraint for residue 26
 &rst iat=401,399,397,391, &end
#
#  trans-omega constraint for residue 27
 &rst iat=416,414,412,401, &end
#
#  trans-omega constraint for residue 28
 &rst iat=428,426,424,416, &end
#
#  trans-omega constraint for residue 29
 &rst iat=449,447,445,428, &end
#
#  trans-omega constraint for residue 30
 &rst iat=461,459,457,449, &end
#
#  trans-omega constraint for residue 31
 &rst iat=480,478,476,461, &end
#
#  trans-omega constraint for residue 32
 &rst iat=490,488,486,480, &end
#
#  trans-omega constraint for residue 33
 &rst iat=509,507,505,490, &end
#
#  trans-omega constraint for residue 34
 &rst iat=523,521,519,509, &end
#
#  trans-omega constraint for residue 35
 &rst iat=533,531,529,523, &end
#
#  trans-omega constraint for residue 36
 &rst iat=554,552,550,533, &end
#
#  trans-omega constraint for residue 37
 &rst iat=568,566,564,554, &end
#
#  trans-omega constraint for residue 38
 &rst iat=582,580,578,568, &end
#
#  trans-omega constraint for residue 39
 &rst iat=604,602,600,582, &end
#
#  trans-omega constraint for residue 40
 &rst iat=615,613,611,604, &end
#
#  trans-omega constraint for residue 41
 &rst iat=632,630,628,615, &end
#
#  trans-omega constraint for residue 42
 &rst iat=646,644,642,632, &end
#
#  trans-omega constraint for residue 43
 &rst iat=663,661,659,646, &end
#
#  trans-omega constraint for residue 44
 &rst iat=685,683,681,663, &end
#
#  trans-omega constraint for residue 45
 &rst iat=702,700,698,685, &end
#
#  trans-omega constraint for residue 46
 &rst iat=718,716,714,702, &end
#
#  trans-omega constraint for residue 47
 &rst iat=740,738,736,718, &end
#
#  trans-omega constraint for residue 48
 &rst iat=764,762,760,740, &end
#
#  trans-omega constraint for residue 49
 &rst iat=771,769,767,764, &end
#
#  trans-omega constraint for residue 50
 &rst iat=790,788,786,771, &end
#
#  trans-omega constraint for residue 51
 &rst iat=797,795,793,790, &end
#
#  trans-omega constraint for residue 52
 &rst iat=816,814,812,797, &end
#
#  trans-omega constraint for residue 53
 &rst iat=,,824,816, &end
#
#  trans-omega constraint for residue 54
 &rst iat=,,,, &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H1       GLY   1   3.549  -3.787 -10.384
    2   2H    GLY   1           H2       GLY   1   3.666  -2.205  -9.941
    3   3H    GLY   1           H3       GLY   1   4.829  -3.279  -9.481
    4   1HA   GLY   1          HA2       GLY   1   3.047  -4.518  -8.251
    5   2HA   GLY   1          HA3       GLY   1   3.514  -2.923  -7.601
    6    H    GLN   2           H        GLN   2   0.841  -4.368  -7.362
    7    HA   GLN   2           HA       GLN   2  -0.775  -2.036  -8.018
    8   1HB   GLN   2          HB2       GLN   2  -0.731  -3.250 -10.133
    9   2HB   GLN   2          HB3       GLN   2  -1.278  -4.728  -9.366
   10   1HG   GLN   2          HG2       GLN   2  -3.457  -3.825  -8.918
   11   2HG   GLN   2          HG3       GLN   2  -2.901  -2.160  -9.166
   12   1HE2  GLN   2          2HE2      GLN   2  -5.221  -3.153 -10.303
   13   2HE2  GLN   2          1HE2      GLN   2  -4.970  -3.191 -12.042
   14    H    ASP   3           H        ASP   3  -2.828  -2.121  -7.182
   15    HA   ASP   3           HA       ASP   3  -3.783  -3.996  -5.131
   16   1HB   ASP   3          HB2       ASP   3  -2.525  -2.241  -3.897
   17   2HB   ASP   3          HB3       ASP   3  -3.239  -1.014  -4.966
   18    H    ARG   4           H        ARG   4  -6.235  -3.294  -4.876
   19    HA   ARG   4           HA       ARG   4  -7.354  -3.078  -7.484
   20   1HB   ARG   4          HB2       ARG   4  -9.544  -2.542  -6.168
   21   2HB   ARG   4          HB3       ARG   4  -8.821  -4.146  -6.218
   22   1HG   ARG   4          HG2       ARG   4  -9.669  -3.657  -4.008
   23   2HG   ARG   4          HG3       ARG   4  -7.931  -3.910  -3.984
   24   1HD   ARG   4          HD2       ARG   4  -8.167  -1.144  -4.274
   25   2HD   ARG   4          HD3       ARG   4  -9.547  -1.530  -3.225
   26    HE   ARG   4           HE       ARG   4  -6.683  -1.686  -2.783
   27   1HH1  ARG   4          2HH1      ARG   4  -9.728  -2.518  -1.300
   28   2HH1  ARG   4          1HH1      ARG   4  -9.041  -3.218   0.135
   29   1HH2  ARG   4          1HH2      ARG   4  -5.742  -2.672  -1.119
   30   2HH2  ARG   4          2HH2      ARG   4  -6.571  -3.310   0.273
   31    H    PHE   5           H        PHE   5  -6.238  -0.419  -5.453
   32    HA   PHE   5           HA       PHE   5  -6.960   1.345  -7.654
   33   1HB   PHE   5          HB2       PHE   5  -7.913   3.068  -6.115
   34   2HB   PHE   5          HB3       PHE   5  -8.916   1.716  -6.565
   35    HD1  PHE   5           HD1      PHE   5 -10.523   1.768  -4.872
   36    HD2  PHE   5           HD2      PHE   5  -6.355   1.729  -3.802
   37    HE1  PHE   5           HE1      PHE   5 -11.120   1.393  -2.497
   38    HE2  PHE   5           HE2      PHE   5  -6.942   1.362  -1.453
   39    HZ   PHE   5           HZ       PHE   5  -9.312   1.207  -0.773
   40    H    VAL   6           H        VAL   6  -4.563   0.217  -5.954
   41    HA   VAL   6           HA       VAL   6  -3.028   2.732  -6.014
   42    HB   VAL   6           HB       VAL   6  -3.506   0.863  -3.730
   43   1HG1  VAL   6          1HG1      VAL   6  -0.683   1.903  -4.190
   44   2HG1  VAL   6          2HG1      VAL   6  -1.332   1.155  -2.713
   45   3HG1  VAL   6          3HG1      VAL   6  -1.214   0.216  -4.201
   46   1HG2  VAL   6          1HG2      VAL   6  -2.645   3.759  -3.984
   47   2HG2  VAL   6          2HG2      VAL   6  -4.286   3.166  -3.698
   48   3HG2  VAL   6          3HG2      VAL   6  -3.058   2.925  -2.453
   49    H    TYR   7           H        TYR   7  -0.816   2.367  -6.424
   50    HA   TYR   7           HA       TYR   7   0.064  -0.061  -7.841
   51   1HB   TYR   7          HB2       TYR   7  -0.213   2.745  -9.001
   52   2HB   TYR   7          HB3       TYR   7   0.455   1.355  -9.833
   53    HD1  TYR   7           HD1      TYR   7  -1.262  -0.442 -10.668
   54    HD2  TYR   7           HD2      TYR   7  -2.552   3.107  -8.574
   55    HE1  TYR   7           HE1      TYR   7  -3.538  -0.740 -11.543
   56    HE2  TYR   7           HE2      TYR   7  -4.869   2.536  -9.100
   57    HH   TYR   7           HH       TYR   7  -6.278   1.295 -10.468
   58    H    THR   8           H        THR   8   2.357   1.022  -8.913
   59    HA   THR   8           HA       THR   8   3.649   2.770  -6.901
   60    HB   THR   8           HB       THR   8   5.722   1.166  -7.565
   61    HG1  THR   8           HG1      THR   8   4.849  -0.376  -8.733
   62   1HG2  THR   8          1HG2      THR   8   5.120  -0.251  -5.521
   63   2HG2  THR   8          2HG2      THR   8   5.350   1.477  -5.332
   64   3HG2  THR   8          3HG2      THR   8   3.685   0.796  -5.389
   65    H    CYS   9           H        CYS   9   5.781   3.540  -7.826
   66    HA   CYS   9           HA       CYS   9   5.860   3.767 -10.800
   67   1HB   CYS   9          HB2       CYS   9   5.555   6.071  -9.823
   68   2HB   CYS   9          HB3       CYS   9   6.850   5.739  -8.678
   69    H    ASN  10           H        ASN  10   7.378   2.054 -11.104
   70    HA   ASN  10           HA       ASN  10   9.183   1.312  -9.024
   71   1HB   ASN  10          HB2       ASN  10   8.343  -0.247 -10.755
   72   2HB   ASN  10          HB3       ASN  10   9.406   0.561 -11.939
   73   1HD2  ASN  10          2HD2      ASN  10  11.042  -0.933 -12.267
   74   2HD2  ASN  10          1HD2      ASN  10  11.966  -1.707 -10.964
   75    H    GLU  11           H        GLU  11   9.212   4.131 -10.804
   76    HA   GLU  11           HA       GLU  11  12.136   4.218 -10.758
   77   1HB   GLU  11          HB2       GLU  11  10.190   5.678 -12.366
   78   2HB   GLU  11          HB3       GLU  11  11.336   6.734 -11.586
   79   1HG   GLU  11          HG2       GLU  11  12.198   4.226 -13.147
   80   2HG   GLU  11          HG3       GLU  11  12.202   5.832 -13.835
   81    H    CYS  12           H        CYS  12   9.369   5.302  -8.996
   82    HA   CYS  12           HA       CYS  12  11.103   6.995  -7.236
   83   1HB   CYS  12          HB2       CYS  12   8.101   6.565  -7.118
   84   2HB   CYS  12          HB3       CYS  12   9.055   7.752  -6.205
   85    H    LYS  13           H        LYS  13   9.499   3.970  -7.494
   86    HA   LYS  13           HA       LYS  13   8.956   2.237  -6.201
   87   1HB   LYS  13          HB2       LYS  13  11.723   2.842  -5.023
   88   2HB   LYS  13          HB3       LYS  13  10.753   1.460  -4.540
   89   1HG   LYS  13          HG2       LYS  13  11.604   0.322  -6.247
   90   2HG   LYS  13          HG3       LYS  13  10.645   1.298  -7.331
   91   1HD   LYS  13          HD2       LYS  13  13.554   1.575  -6.609
   92   2HD   LYS  13          HD3       LYS  13  12.787   1.194  -8.178
   93   1HE   LYS  13          HE2       LYS  13  11.759   3.548  -8.018
   94   2HE   LYS  13          HE3       LYS  13  12.999   3.905  -6.822
   95   1HZ   LYS  13          HZ1       LYS  13  14.653   3.280  -8.594
   96   2HZ   LYS  13          HZ2       LYS  13  13.396   3.065  -9.637
   97   3HZ   LYS  13          HZ3       LYS  13  13.693   4.520  -9.062
   98    H    HIS  14           H        HIS  14   7.682   4.337  -5.828
   99    HA   HIS  14           HA       HIS  14   6.787   4.068  -3.029
  100   1HB   HIS  14          HB2       HIS  14   7.934   6.214  -3.150
  101   2HB   HIS  14          HB3       HIS  14   6.952   6.687  -4.559
  102    HD2  HIS  14           HD2      HIS  14   4.915   8.085  -3.993
  103    HE1  HIS  14           HE1      HIS  14   3.727   6.277  -0.338
  104    HE2  HIS  14           HE2      HIS  14   3.072   7.944  -2.123
  105    H    HIS  15           H        HIS  15   4.519   4.790  -2.990
  106    HA   HIS  15           HA       HIS  15   2.962   3.333  -4.906
  107   1HB   HIS  15          HB2       HIS  15   1.721   3.078  -3.068
  108   2HB   HIS  15          HB3       HIS  15   2.698   4.215  -2.177
  109    HD2  HIS  15           HD2      HIS  15  -0.406   4.095  -4.422
  110    HE1  HIS  15           HE1      HIS  15  -0.633   7.789  -2.309
  111    HE2  HIS  15           HE2      HIS  15  -1.858   6.239  -3.911
  112    H    VAL  16           H        VAL  16   1.258   4.087  -6.157
  113    HA   VAL  16           HA       VAL  16   0.816   6.942  -6.537
  114    HB   VAL  16           HB       VAL  16   1.176   6.962  -8.897
  115   1HG1  VAL  16          1HG1      VAL  16   3.565   5.511  -7.735
  116   2HG1  VAL  16          2HG1      VAL  16   3.499   6.327  -9.279
  117   3HG1  VAL  16          3HG1      VAL  16   3.282   7.263  -7.755
  118   1HG2  VAL  16          1HG2      VAL  16   1.954   5.011 -10.223
  119   2HG2  VAL  16          2HG2      VAL  16   1.672   3.964  -8.823
  120   3HG2  VAL  16          3HG2      VAL  16   0.316   4.820  -9.583
  121    H    GLU  17           H        GLU  17  -1.336   7.235  -7.711
  122    HA   GLU  17           HA       GLU  17  -3.178   4.927  -7.194
  123   1HB   GLU  17          HB2       GLU  17  -4.891   6.806  -7.620
  124   2HB   GLU  17          HB3       GLU  17  -4.077   6.667  -6.052
  125   1HG   GLU  17          HG2       GLU  17  -4.316   9.017  -6.803
  126   2HG   GLU  17          HG3       GLU  17  -2.624   8.539  -6.549
  127    H    THR  18           H        THR  18  -1.600   6.710  -9.644
  128    HA   THR  18           HA       THR  18  -2.991   5.126 -11.711
  129    HB   THR  18           HB       THR  18  -2.378   8.119 -11.696
  130    HG1  THR  18           HG1      THR  18  -4.159   8.017 -10.658
  131   1HG2  THR  18          1HG2      THR  18  -4.245   7.311 -13.791
  132   2HG2  THR  18          2HG2      THR  18  -2.700   8.118 -13.978
  133   3HG2  THR  18          3HG2      THR  18  -2.756   6.351 -13.975
  134    H    ARG  19           H        ARG  19  -1.527   4.096 -13.005
  135    HA   ARG  19           HA       ARG  19   1.253   5.149 -13.138
  136   1HB   ARG  19          HB2       ARG  19   2.324   3.073 -12.773
  137   2HB   ARG  19          HB3       ARG  19   1.209   3.247 -11.425
  138   1HG   ARG  19          HG2       ARG  19  -0.366   1.668 -12.477
  139   2HG   ARG  19          HG3       ARG  19   0.678   1.552 -13.903
  140   1HD   ARG  19          HD2       ARG  19   2.319   0.346 -12.890
  141   2HD   ARG  19          HD3       ARG  19   1.769   0.647 -11.248
  142    HE   ARG  19           HE       ARG  19  -0.362  -0.695 -12.251
  143   1HH1  ARG  19          1HH2      ARG  19   3.077  -1.641 -12.349
  144   2HH1  ARG  19          2HH2      ARG  19   2.701  -3.247 -12.861
  145   1HH2  ARG  19          1HH1      ARG  19  -0.708  -3.058 -12.447
  146   2HH2  ARG  19          2HH1      ARG  19   0.708  -3.999 -12.757
  147    H    TRP  20           H        TRP  20   2.522   4.117 -14.774
  148    HA   TRP  20           HA       TRP  20   1.153   3.190 -17.275
  149   1HB   TRP  20          HB2       TRP  20   3.793   4.600 -16.769
  150   2HB   TRP  20          HB3       TRP  20   3.184   4.038 -18.333
  151    HD1  TRP  20           HD1      TRP  20   2.529   6.787 -15.732
  152    HE1  TRP  20           HE1      TRP  20   0.965   8.535 -16.662
  153    HE3  TRP  20           HE3      TRP  20   1.447   4.576 -20.200
  154    HZ2  TRP  20           HZ2      TRP  20  -0.577   8.996 -19.082
  155    HZ3  TRP  20           HZ3      TRP  20  -0.148   5.654 -21.767
  156    HH2  TRP  20           HH2      TRP  20  -1.175   7.851 -21.202
  157    H    HIS  21           H        HIS  21   1.791   1.044 -17.685
  158    HA   HIS  21           HA       HIS  21   3.713  -0.209 -15.757
  159   1HB   HIS  21          HB2       HIS  21   1.704  -0.700 -14.804
  160   2HB   HIS  21          HB3       HIS  21   0.804  -0.702 -16.289
  161    HD2  HIS  21           HD2      HIS  21   3.836  -3.056 -16.108
  162    HE1  HIS  21           HE1      HIS  21   0.419  -5.524 -15.649
  163    HE2  HIS  21           HE2      HIS  21   2.950  -5.504 -15.973
  164    H    CYS  22           H        CYS  22   5.238  -1.254 -16.791
  165    HA   CYS  22           HA       CYS  22   5.269  -1.819 -19.625
  166   1HB   CYS  22          HB2       CYS  22   7.065  -1.765 -17.276
  167   2HB   CYS  22          HB3       CYS  22   7.403  -3.121 -18.326
  168    H    THR  23           H        THR  23   4.504  -3.489 -20.605
  169    HA   THR  23           HA       THR  23   3.934  -5.940 -19.066
  170    HB   THR  23           HB       THR  23   2.291  -6.542 -20.897
  171    HG1  THR  23           HG1      THR  23   3.356  -4.333 -22.012
  172   1HG2  THR  23          1HG2      THR  23   1.953  -3.895 -19.551
  173   2HG2  THR  23          2HG2      THR  23   0.621  -5.024 -20.014
  174   3HG2  THR  23          3HG2      THR  23   1.728  -5.477 -18.732
  175    H    VAL  24           H        VAL  24   6.379  -4.917 -20.386
  176    HA   VAL  24           HA       VAL  24   7.442  -7.092 -22.017
  177    HB   VAL  24           HB       VAL  24   7.611  -4.893 -22.892
  178   1HG1  VAL  24          1HG1      VAL  24   7.156  -3.128 -21.751
  179   2HG1  VAL  24          2HG1      VAL  24   7.542  -3.840 -20.211
  180   3HG1  VAL  24          3HG1      VAL  24   8.841  -3.139 -21.154
  181   1HG2  VAL  24          1HG2      VAL  24  10.230  -5.186 -21.369
  182   2HG2  VAL  24          2HG2      VAL  24   9.840  -6.075 -22.851
  183   3HG2  VAL  24          3HG2      VAL  24   9.995  -4.288 -22.871
  184    H    CYS  25           H        CYS  25   8.418  -4.884 -19.393
  185    HA   CYS  25           HA       CYS  25  10.229  -6.597 -18.020
  186   1HB   CYS  25          HB2       CYS  25   8.807  -4.173 -16.949
  187   2HB   CYS  25          HB3       CYS  25  10.424  -4.740 -16.528
  188    H    GLU  26           H        GLU  26   9.896  -7.122 -15.651
  189    HA   GLU  26           HA       GLU  26   7.414  -8.519 -15.171
  190   1HB   GLU  26          HB2       GLU  26  10.077  -8.321 -13.807
  191   2HB   GLU  26          HB3       GLU  26   8.667  -8.720 -12.793
  192   1HG   GLU  26          HG2       GLU  26   8.038 -10.549 -14.256
  193   2HG   GLU  26          HG3       GLU  26   9.434 -10.229 -15.299
  194    H    ASP  27           H        ASP  27   5.863  -6.887 -15.266
  195    HA   ASP  27           HA       ASP  27   4.461  -5.333 -14.525
  196   1HB   ASP  27          HB2       ASP  27   4.076  -7.306 -13.056
  197   2HB   ASP  27          HB3       ASP  27   5.089  -6.580 -11.822
  198    H    TYR  28           H        TYR  28   7.042  -4.385 -14.829
  199    HA   TYR  28           HA       TYR  28   7.852  -2.514 -12.829
  200   1HB   TYR  28          HB2       TYR  28   9.281  -3.366 -14.677
  201   2HB   TYR  28          HB3       TYR  28   8.277  -2.513 -15.837
  202    HD1  TYR  28           HD1      TYR  28  11.257  -2.340 -13.969
  203    HD2  TYR  28           HD2      TYR  28   8.168   0.070 -15.743
  204    HE1  TYR  28           HE1      TYR  28  12.750  -0.352 -13.845
  205    HE2  TYR  28           HE2      TYR  28   9.622   2.014 -15.702
  206    HH   TYR  28           HH       TYR  28  12.984   1.927 -14.397
  207    H    ASP  29           H        ASP  29   7.439  -0.268 -12.699
  208    HA   ASP  29           HA       ASP  29   4.996   0.669 -14.134
  209   1HB   ASP  29          HB2       ASP  29   5.513   1.712 -11.387
  210   2HB   ASP  29          HB3       ASP  29   4.010   1.319 -12.131
  211    H    LEU  30           H        LEU  30   4.713   2.965 -14.096
  212    HA   LEU  30           HA       LEU  30   6.833   4.655 -12.980
  213   1HB   LEU  30          HB2       LEU  30   5.859   4.735 -15.856
  214   2HB   LEU  30          HB3       LEU  30   6.667   6.042 -15.017
  215    HG   LEU  30           HG       LEU  30   7.808   3.265 -15.644
  216   1HD1  LEU  30          1HD1      LEU  30   8.662   6.000 -16.696
  217   2HD1  LEU  30          2HD1      LEU  30   9.316   4.421 -17.138
  218   3HD1  LEU  30          3HD1      LEU  30   7.623   4.835 -17.555
  219   1HD2  LEU  30          1HD2      LEU  30  10.010   4.080 -14.850
  220   2HD2  LEU  30          2HD2      LEU  30   9.285   5.634 -14.394
  221   3HD2  LEU  30          3HD2      LEU  30   8.864   4.156 -13.525
  222    H    CYS  31           H        CYS  31   5.953   6.468 -12.020
  223    HA   CYS  31           HA       CYS  31   3.114   7.046 -12.149
  224   1HB   CYS  31          HB2       CYS  31   3.708   9.097 -11.047
  225   2HB   CYS  31          HB3       CYS  31   4.479   7.799 -10.157
  226    H    ILE  32           H        ILE  32   2.451   9.188 -12.963
  227    HA   ILE  32           HA       ILE  32   2.748   9.361 -15.678
  228    HB   ILE  32           HB       ILE  32   2.008  11.691 -13.881
  229   1HG1  ILE  32          2HG1      ILE  32   0.711  10.022 -12.879
  230   2HG1  ILE  32          3HG1      ILE  32  -0.378  10.844 -13.953
  231   1HG2  ILE  32          1HG2      ILE  32   1.201  10.832 -16.677
  232   2HG2  ILE  32          2HG2      ILE  32   0.469  12.189 -15.780
  233   3HG2  ILE  32          3HG2      ILE  32   2.195  12.235 -16.181
  234   1HD1  ILE  32          1HD1      ILE  32  -0.428   8.983 -15.483
  235   2HD1  ILE  32          2HD1      ILE  32   0.905   8.148 -14.622
  236   3HD1  ILE  32          3HD1      ILE  32  -0.638   8.381 -13.825
  237    H    ASN  33           H        ASN  33   4.433  11.327 -13.256
  238    HA   ASN  33           HA       ASN  33   5.719  13.058 -15.140
  239   1HB   ASN  33          HB2       ASN  33   5.626  13.903 -12.921
  240   2HB   ASN  33          HB3       ASN  33   6.075  12.360 -12.214
  241   1HD2  ASN  33          2HD2      ASN  33   8.374  11.786 -12.051
  242   2HD2  ASN  33          1HD2      ASN  33   9.576  13.025 -12.309
  243    H    CYS  34           H        CYS  34   6.767  10.023 -13.528
  244    HA   CYS  34           HA       CYS  34   9.357  10.120 -14.716
  245   1HB   CYS  34          HB2       CYS  34   7.737   7.919 -13.373
  246   2HB   CYS  34          HB3       CYS  34   9.314   7.615 -14.109
  247    H    TYR  35           H        TYR  35   6.297   8.480 -15.700
  248    HA   TYR  35           HA       TYR  35   7.336   7.224 -17.997
  249   1HB   TYR  35          HB2       TYR  35   5.071   6.780 -17.134
  250   2HB   TYR  35          HB3       TYR  35   4.564   8.416 -17.534
  251    HD1  TYR  35           HD1      TYR  35   6.179   5.435 -19.264
  252    HD2  TYR  35           HD2      TYR  35   3.422   8.784 -19.536
  253    HE1  TYR  35           HE1      TYR  35   5.526   4.705 -21.523
  254    HE2  TYR  35           HE2      TYR  35   2.767   8.020 -21.813
  255    HH   TYR  35           HH       TYR  35   4.165   5.078 -23.302
  256    H    ASN  36           H        ASN  36   6.109  10.533 -17.541
  257    HA   ASN  36           HA       ASN  36   6.364  11.502 -20.171
  258   1HB   ASN  36          HB2       ASN  36   5.988  12.655 -17.437
  259   2HB   ASN  36          HB3       ASN  36   6.624  13.760 -18.579
  260   1HD2  ASN  36          2HD2      ASN  36   3.870  11.659 -17.939
  261   2HD2  ASN  36          1HD2      ASN  36   2.738  12.504 -19.024
  262    H    THR  37           H        THR  37   8.975  10.787 -17.981
  263    HA   THR  37           HA       THR  37  10.754  12.587 -19.597
  264    HB   THR  37           HB       THR  37  11.988  12.989 -17.443
  265    HG1  THR  37           HG1      THR  37   9.699  12.097 -16.106
  266   1HG2  THR  37          1HG2      THR  37  10.471  14.615 -16.497
  267   2HG2  THR  37          2HG2      THR  37  10.338  14.651 -18.266
  268   3HG2  THR  37          3HG2      THR  37   9.071  13.882 -17.285
  269    H    LYS  38           H        LYS  38  10.667   9.726 -17.506
  270    HA   LYS  38           HA       LYS  38  13.273   8.768 -18.175
  271   1HB   LYS  38          HB2       LYS  38  10.926   7.135 -17.162
  272   2HB   LYS  38          HB3       LYS  38  12.625   6.765 -16.957
  273   1HG   LYS  38          HG2       LYS  38  11.233   9.184 -15.709
  274   2HG   LYS  38          HG3       LYS  38  11.415   7.636 -14.900
  275   1HD   LYS  38          HD2       LYS  38  13.894   7.926 -14.910
  276   2HD   LYS  38          HD3       LYS  38  13.711   9.394 -15.849
  277   1HE   LYS  38          HE2       LYS  38  14.061   9.992 -13.553
  278   2HE   LYS  38          HE3       LYS  38  12.414  10.443 -14.008
  279   1HZ   LYS  38          HZ1       LYS  38  11.623   8.554 -12.764
  280   2HZ   LYS  38          HZ2       LYS  38  13.161   8.011 -12.506
  281   3HZ   LYS  38          HZ3       LYS  38  12.645   9.367 -11.791
  282    H    SER  39           H        SER  39  10.630   9.052 -20.175
  283    HA   SER  39           HA       SER  39   9.943   8.134 -22.124
  284   1HB   SER  39          HB2       SER  39  12.942   8.114 -22.496
  285   2HB   SER  39          HB3       SER  39  11.711   8.323 -23.765
  286    HG   SER  39           HG       SER  39  12.267  10.093 -21.587
  287    H    HIS  40           H        HIS  40   9.677   5.987 -20.439
  288    HA   HIS  40           HA       HIS  40  11.028   3.637 -21.339
  289   1HB   HIS  40          HB2       HIS  40   9.114   4.348 -19.331
  290   2HB   HIS  40          HB3       HIS  40   8.352   3.113 -20.338
  291    HD1  HIS  40           HD1      HIS  40  11.366   3.479 -17.938
  292    HD2  HIS  40           HD2      HIS  40   9.388   0.704 -20.365
  293    HE1  HIS  40           HE1      HIS  40  12.224   1.204 -17.242
  294    H    THR  41           H        THR  41  10.924   2.970 -23.347
  295    HA   THR  41           HA       THR  41   8.698   3.797 -24.995
  296    HB   THR  41           HB       THR  41  10.964   2.357 -26.237
  297    HG1  THR  41           HG1      THR  41  11.608   4.599 -24.637
  298   1HG2  THR  41          1HG2      THR  41  10.021   5.213 -26.548
  299   2HG2  THR  41          2HG2      THR  41  11.128   4.319 -27.634
  300   3HG2  THR  41          3HG2      THR  41   9.430   3.805 -27.458
  301    H    HIS  42           H        HIS  42   8.885   1.060 -23.113
  302    HA   HIS  42           HA       HIS  42   8.712  -0.937 -25.211
  303   1HB   HIS  42          HB2       HIS  42   8.228  -1.115 -22.244
  304   2HB   HIS  42          HB3       HIS  42   8.612  -2.429 -23.379
  305    HD2  HIS  42           HD2      HIS  42  11.271  -0.914 -24.691
  306    HE1  HIS  42           HE1      HIS  42  12.703  -1.007 -20.680
  307    HE2  HIS  42           HE2      HIS  42  13.365  -0.682 -23.128
  308    H    LYS  43           H        LYS  43   6.962  -2.654 -24.848
  309    HA   LYS  43           HA       LYS  43   4.430  -1.453 -25.364
  310   1HB   LYS  43          HB2       LYS  43   5.453  -3.594 -26.312
  311   2HB   LYS  43          HB3       LYS  43   4.964  -4.437 -24.854
  312   1HG   LYS  43          HG2       LYS  43   2.993  -2.792 -26.473
  313   2HG   LYS  43          HG3       LYS  43   3.479  -4.381 -27.045
  314   1HD   LYS  43          HD2       LYS  43   1.711  -5.119 -25.898
  315   2HD   LYS  43          HD3       LYS  43   2.810  -5.049 -24.502
  316   1HE   LYS  43          HE2       LYS  43   1.984  -2.622 -24.190
  317   2HE   LYS  43          HE3       LYS  43   0.781  -2.959 -25.442
  318   1HZ   LYS  43          HZ1       LYS  43  -0.171  -4.592 -23.968
  319   2HZ   LYS  43          HZ2       LYS  43   1.060  -4.401 -22.897
  320   3HZ   LYS  43          HZ3       LYS  43   0.049  -3.154 -23.153
  321    H    MET  44           H        MET  44   3.557  -0.376 -23.721
  322    HA   MET  44           HA       MET  44   3.330  -1.582 -20.995
  323   1HB   MET  44          HB2       MET  44   3.514   1.275 -22.065
  324   2HB   MET  44          HB3       MET  44   2.808   0.946 -20.462
  325   1HG   MET  44          HG2       MET  44   4.643   0.142 -19.561
  326   2HG   MET  44          HG3       MET  44   5.516  -0.101 -21.084
  327   1HE   MET  44          HE1       MET  44   6.068   1.184 -18.037
  328   2HE   MET  44          HE2       MET  44   6.139   2.964 -17.986
  329   3HE   MET  44          HE3       MET  44   4.573   2.126 -18.046
  330    H    VAL  45           H        VAL  45   1.405  -0.505 -19.792
  331    HA   VAL  45           HA       VAL  45  -1.107  -0.252 -21.233
  332    HB   VAL  45           HB       VAL  45  -2.098  -1.506 -19.332
  333   1HG1  VAL  45          1HG1      VAL  45  -1.943  -3.692 -20.335
  334   2HG1  VAL  45          2HG1      VAL  45  -1.833  -2.496 -21.650
  335   3HG1  VAL  45          3HG1      VAL  45  -0.362  -3.330 -21.045
  336   1HG2  VAL  45          1HG2      VAL  45  -0.768  -3.293 -18.227
  337   2HG2  VAL  45          2HG2      VAL  45   0.692  -2.494 -18.793
  338   3HG2  VAL  45          3HG2      VAL  45  -0.428  -1.613 -17.747
  339    H    LYS  46           H        LYS  46  -2.590   0.637 -19.112
  340    HA   LYS  46           HA       LYS  46  -1.028   2.319 -17.328
  341   1HB   LYS  46          HB2       LYS  46  -1.293   3.577 -19.527
  342   2HB   LYS  46          HB3       LYS  46  -3.026   3.548 -19.292
  343   1HG   LYS  46          HG2       LYS  46  -1.087   4.823 -17.300
  344   2HG   LYS  46          HG3       LYS  46  -1.747   5.630 -18.705
  345   1HD   LYS  46          HD2       LYS  46  -4.104   5.191 -17.742
  346   2HD   LYS  46          HD3       LYS  46  -3.292   4.652 -16.266
  347   1HE   LYS  46          HE2       LYS  46  -3.773   6.942 -15.962
  348   2HE   LYS  46          HE3       LYS  46  -2.027   6.842 -16.271
  349   1HZ   LYS  46          HZ1       LYS  46  -4.162   7.678 -18.138
  350   2HZ   LYS  46          HZ2       LYS  46  -3.106   8.630 -17.476
  351   3HZ   LYS  46          HZ3       LYS  46  -2.565   7.557 -18.600
  352    H    TRP  47           H        TRP  47  -2.210   2.465 -15.499
  353    HA   TRP  47           HA       TRP  47  -5.069   1.648 -15.500
  354   1HB   TRP  47          HB2       TRP  47  -3.022   0.814 -13.438
  355   2HB   TRP  47          HB3       TRP  47  -4.697   0.297 -13.534
  356    HD1  TRP  47           HD1      TRP  47  -1.290  -0.774 -14.411
  357    HE1  TRP  47           HE1      TRP  47  -1.211  -2.674 -16.046
  358    HE3  TRP  47           HE3      TRP  47  -6.129  -0.601 -16.083
  359    HZ2  TRP  47           HZ2      TRP  47  -2.918  -3.831 -18.073
  360    HZ3  TRP  47           HZ3      TRP  47  -6.806  -2.028 -18.024
  361    HH2  TRP  47           HH2      TRP  47  -5.229  -3.649 -18.993
  362    H    GLY  48           H        GLY  48  -6.243   3.207 -14.332
  363   1HA   GLY  48          HA2       GLY  48  -4.720   5.201 -12.789
  364   2HA   GLY  48          HA3       GLY  48  -5.578   5.709 -14.251
  365    H    LEU  49           H        LEU  49  -5.909   6.332 -11.419
  366    HA   LEU  49           HA       LEU  49  -8.786   5.757 -11.169
  367   1HB   LEU  49          HB2       LEU  49  -6.801   4.272  -9.762
  368   2HB   LEU  49          HB3       LEU  49  -7.480   5.333  -8.573
  369    HG   LEU  49           HG       LEU  49  -8.524   3.190  -8.653
  370   1HD1  LEU  49          1HD1      LEU  49  -9.952   5.080  -7.972
  371   2HD1  LEU  49          2HD1      LEU  49 -10.531   5.272  -9.636
  372   3HD1  LEU  49          3HD1      LEU  49 -10.921   3.804  -8.729
  373   1HD2  LEU  49          1HD2      LEU  49  -9.637   3.694 -11.426
  374   2HD2  LEU  49          2HD2      LEU  49  -8.258   2.631 -11.060
  375   3HD2  LEU  49          3HD2      LEU  49  -9.864   2.277 -10.404
  376    H    GLY  50           H        GLY  50  -6.439   8.191 -11.072
  377   1HA   GLY  50          HA2       GLY  50  -8.313   9.924  -9.644
  378   2HA   GLY  50          HA3       GLY  50  -6.716   9.673  -8.872
  379    H    LEU  51           H        LEU  51  -4.986   9.755 -11.032
  380    HA   LEU  51           HA       LEU  51  -5.408  12.419 -12.285
  381   1HB   LEU  51          HB2       LEU  51  -2.918  11.292 -10.941
  382   2HB   LEU  51          HB3       LEU  51  -2.960  12.786 -11.861
  383    HG   LEU  51           HG       LEU  51  -4.551  12.284  -9.297
  384   1HD1  LEU  51          1HD1      LEU  51  -2.186  12.147  -8.831
  385   2HD1  LEU  51          2HD1      LEU  51  -1.879  13.683  -9.649
  386   3HD1  LEU  51          3HD1      LEU  51  -2.850  13.639  -8.152
  387   1HD2  LEU  51          1HD2      LEU  51  -5.539  14.098 -10.632
  388   2HD2  LEU  51          2HD2      LEU  51  -4.730  14.782  -9.236
  389   3HD2  LEU  51          3HD2      LEU  51  -3.941  14.848 -10.836
  390    H    ASP  52           H        ASP  52  -6.200  10.923 -14.049
  391    HA   ASP  52           HA       ASP  52  -4.426   8.992 -15.181
  392   1HB   ASP  52          HB2       ASP  52  -7.009   9.163 -15.365
  393   2HB   ASP  52          HB3       ASP  52  -6.709  10.216 -16.737
  Start of MODEL    2
    1   1H    GLY   1           H1       GLY   1   3.970  -3.706 -10.451
    2   2H    GLY   1           H2       GLY   1   4.273  -2.158 -10.034
    3   3H    GLY   1           H3       GLY   1   5.307  -3.332  -9.577
    4   1HA   GLY   1          HA2       GLY   1   3.529  -4.326  -8.190
    5   2HA   GLY   1          HA3       GLY   1   3.996  -2.664  -7.708
    6    H    GLN   2           H        GLN   2   1.322  -4.337  -7.540
    7    HA   GLN   2           HA       GLN   2  -0.405  -2.130  -8.378
    8   1HB   GLN   2          HB2       GLN   2  -1.901  -3.982  -9.522
    9   2HB   GLN   2          HB3       GLN   2  -0.649  -3.151 -10.398
   10   1HG   GLN   2          HG2       GLN   2   0.878  -5.070 -10.160
   11   2HG   GLN   2          HG3       GLN   2  -0.365  -5.944  -9.229
   12   1HE2  GLN   2          2HE2      GLN   2   0.943  -5.630 -12.337
   13   2HE2  GLN   2          1HE2      GLN   2  -0.460  -6.240 -13.210
   14    H    ASP   3           H        ASP   3  -2.499  -2.264  -7.707
   15    HA   ASP   3           HA       ASP   3  -3.556  -4.100  -5.720
   16   1HB   ASP   3          HB2       ASP   3  -2.405  -2.519  -4.264
   17   2HB   ASP   3          HB3       ASP   3  -2.989  -1.131  -5.175
   18    H    ARG   4           H        ARG   4  -6.026  -3.457  -5.609
   19    HA   ARG   4           HA       ARG   4  -6.915  -3.062  -8.268
   20   1HB   ARG   4          HB2       ARG   4  -9.266  -2.715  -7.071
   21   2HB   ARG   4          HB3       ARG   4  -8.493  -4.261  -7.246
   22   1HG   ARG   4          HG2       ARG   4  -9.428  -4.084  -5.021
   23   2HG   ARG   4          HG3       ARG   4  -7.704  -4.201  -4.915
   24   1HD   ARG   4          HD2       ARG   4  -8.109  -1.452  -4.975
   25   2HD   ARG   4          HD3       ARG   4  -9.504  -2.024  -4.024
   26    HE   ARG   4           HE       ARG   4  -6.626  -2.056  -3.477
   27   1HH1  ARG   4          1HH2      ARG   4  -9.734  -3.056  -2.240
   28   2HH1  ARG   4          2HH2      ARG   4  -9.116  -3.726  -0.743
   29   1HH2  ARG   4          1HH1      ARG   4  -5.772  -3.037  -1.780
   30   2HH2  ARG   4          2HH1      ARG   4  -6.652  -3.624  -0.405
   31    H    PHE   5           H        PHE   5  -6.126  -0.555  -5.950
   32    HA   PHE   5           HA       PHE   5  -6.773   1.368  -8.083
   33   1HB   PHE   5          HB2       PHE   5  -7.868   2.931  -6.439
   34   2HB   PHE   5          HB3       PHE   5  -8.783   1.593  -7.039
   35    HD1  PHE   5           HD1      PHE   5 -10.450   1.307  -5.431
   36    HD2  PHE   5           HD2      PHE   5  -6.363   1.540  -4.125
   37    HE1  PHE   5           HE1      PHE   5 -11.153   0.657  -3.157
   38    HE2  PHE   5           HE2      PHE   5  -7.059   0.854  -1.858
   39    HZ   PHE   5           HZ       PHE   5  -9.446   0.430  -1.342
   40    H    VAL   6           H        VAL   6  -4.454   0.172  -6.236
   41    HA   VAL   6           HA       VAL   6  -3.002   2.735  -6.183
   42    HB   VAL   6           HB       VAL   6  -3.548   0.778  -3.962
   43   1HG1  VAL   6          1HG1      VAL   6  -0.851   2.145  -4.166
   44   2HG1  VAL   6          2HG1      VAL   6  -1.512   1.271  -2.751
   45   3HG1  VAL   6          3HG1      VAL   6  -1.142   0.393  -4.247
   46   1HG2  VAL   6          1HG2      VAL   6  -4.395   3.160  -4.137
   47   2HG2  VAL   6          2HG2      VAL   6  -3.444   2.816  -2.658
   48   3HG2  VAL   6          3HG2      VAL   6  -2.705   3.702  -4.011
   49    H    TYR   7           H        TYR   7  -0.742   2.421  -6.510
   50    HA   TYR   7           HA       TYR   7   0.200  -0.085  -7.757
   51   1HB   TYR   7          HB2       TYR   7  -0.195   2.666  -9.039
   52   2HB   TYR   7          HB3       TYR   7   0.695   1.388  -9.799
   53    HD1  TYR   7           HD1      TYR   7  -0.688  -0.874 -10.168
   54    HD2  TYR   7           HD2      TYR   7  -2.575   2.805  -9.047
   55    HE1  TYR   7           HE1      TYR   7  -2.905  -1.755 -10.980
   56    HE2  TYR   7           HE2      TYR   7  -4.736   1.863  -9.545
   57    HH   TYR   7           HH       TYR   7  -5.920  -0.002 -10.414
   58    H    THR   8           H        THR   8   2.565   0.758  -8.786
   59    HA   THR   8           HA       THR   8   3.707   2.714  -6.838
   60    HB   THR   8           HB       THR   8   5.851   1.210  -7.477
   61    HG1  THR   8           HG1      THR   8   4.989  -0.369  -8.647
   62   1HG2  THR   8          1HG2      THR   8   5.528  -0.109  -5.415
   63   2HG2  THR   8          2HG2      THR   8   5.183   1.608  -5.196
   64   3HG2  THR   8          3HG2      THR   8   3.826   0.462  -5.346
   65    H    CYS   9           H        CYS   9   5.746   3.663  -7.763
   66    HA   CYS   9           HA       CYS   9   5.713   3.825 -10.754
   67   1HB   CYS   9          HB2       CYS   9   5.483   6.117  -9.854
   68   2HB   CYS   9          HB3       CYS   9   6.786   5.832  -8.676
   69    H    ASN  10           H        ASN  10   7.315   2.164 -11.187
   70    HA   ASN  10           HA       ASN  10   9.070   1.337  -9.094
   71   1HB   ASN  10          HB2       ASN  10   8.207  -0.153 -10.947
   72   2HB   ASN  10          HB3       ASN  10   9.391   0.640 -12.019
   73   1HD2  ASN  10          2HD2      ASN  10  11.078  -0.848 -12.227
   74   2HD2  ASN  10          1HD2      ASN  10  11.821  -1.707 -10.886
   75    H    GLU  11           H        GLU  11   9.177   4.203 -10.749
   76    HA   GLU  11           HA       GLU  11  12.101   4.241 -10.633
   77   1HB   GLU  11          HB2       GLU  11  10.188   5.694 -12.287
   78   2HB   GLU  11          HB3       GLU  11  11.342   6.748 -11.473
   79   1HG   GLU  11          HG2       GLU  11  12.184   4.216 -13.014
   80   2HG   GLU  11          HG3       GLU  11  12.238   5.829 -13.704
   81    H    CYS  12           H        CYS  12   9.236   5.353  -8.961
   82    HA   CYS  12           HA       CYS  12  10.940   7.068  -7.205
   83   1HB   CYS  12          HB2       CYS  12   7.937   6.615  -7.062
   84   2HB   CYS  12          HB3       CYS  12   8.923   7.797  -6.180
   85    H    LYS  13           H        LYS  13   9.395   3.996  -7.469
   86    HA   LYS  13           HA       LYS  13   8.940   2.230  -6.152
   87   1HB   LYS  13          HB2       LYS  13  11.686   2.965  -5.037
   88   2HB   LYS  13          HB3       LYS  13  10.768   1.597  -4.457
   89   1HG   LYS  13          HG2       LYS  13  11.591   0.361  -6.100
   90   2HG   LYS  13          HG3       LYS  13  10.569   1.238  -7.217
   91   1HD   LYS  13          HD2       LYS  13  13.500   1.578  -6.649
   92   2HD   LYS  13          HD3       LYS  13  12.627   1.197  -8.155
   93   1HE   LYS  13          HE2       LYS  13  11.655   3.534  -8.010
   94   2HE   LYS  13          HE3       LYS  13  12.867   3.898  -6.786
   95   1HZ   LYS  13          HZ1       LYS  13  13.558   4.515  -9.016
   96   2HZ   LYS  13          HZ2       LYS  13  14.577   3.328  -8.510
   97   3HZ   LYS  13          HZ3       LYS  13  13.321   3.040  -9.578
   98    H    HIS  14           H        HIS  14   7.545   4.317  -5.765
   99    HA   HIS  14           HA       HIS  14   6.701   4.060  -2.962
  100   1HB   HIS  14          HB2       HIS  14   7.875   6.228  -3.099
  101   2HB   HIS  14          HB3       HIS  14   6.937   6.665  -4.531
  102    HD2  HIS  14           HD2      HIS  14   4.920   8.185  -4.048
  103    HE1  HIS  14           HE1      HIS  14   3.725   6.658  -0.272
  104    HE2  HIS  14           HE2      HIS  14   3.185   8.332  -2.124
  105    H    HIS  15           H        HIS  15   4.443   4.683  -2.815
  106    HA   HIS  15           HA       HIS  15   2.897   3.350  -4.846
  107   1HB   HIS  15          HB2       HIS  15   2.153   4.620  -2.184
  108   2HB   HIS  15          HB3       HIS  15   0.954   4.031  -3.329
  109    HD2  HIS  15           HD2      HIS  15   1.286   1.344  -4.106
  110    HE1  HIS  15           HE1      HIS  15   2.640   0.272  -0.212
  111    HE2  HIS  15           HE2      HIS  15   1.706  -0.637  -2.418
  112    H    VAL  16           H        VAL  16   1.272   4.121  -6.074
  113    HA   VAL  16           HA       VAL  16   0.780   7.006  -6.361
  114    HB   VAL  16           HB       VAL  16   1.264   6.968  -8.734
  115   1HG1  VAL  16          1HG1      VAL  16   3.660   6.473  -8.868
  116   2HG1  VAL  16          2HG1      VAL  16   3.283   7.333  -7.358
  117   3HG1  VAL  16          3HG1      VAL  16   3.639   5.575  -7.391
  118   1HG2  VAL  16          1HG2      VAL  16   0.548   4.760  -9.405
  119   2HG2  VAL  16          2HG2      VAL  16   2.208   4.989  -9.921
  120   3HG2  VAL  16          3HG2      VAL  16   1.849   3.963  -8.517
  121    H    GLU  17           H        GLU  17  -1.373   7.283  -7.539
  122    HA   GLU  17           HA       GLU  17  -3.113   4.907  -7.100
  123   1HB   GLU  17          HB2       GLU  17  -4.897   6.686  -7.676
  124   2HB   GLU  17          HB3       GLU  17  -4.184   6.608  -6.056
  125   1HG   GLU  17          HG2       GLU  17  -4.465   8.928  -6.865
  126   2HG   GLU  17          HG3       GLU  17  -2.757   8.540  -6.555
  127    H    THR  18           H        THR  18  -1.646   6.774  -9.607
  128    HA   THR  18           HA       THR  18  -2.906   5.032 -11.647
  129    HB   THR  18           HB       THR  18  -2.412   8.043 -11.666
  130    HG1  THR  18           HG1      THR  18  -4.193   7.886 -10.694
  131   1HG2  THR  18          1HG2      THR  18  -2.185   7.515 -13.966
  132   2HG2  THR  18          2HG2      THR  18  -3.147   6.060 -13.859
  133   3HG2  THR  18          3HG2      THR  18  -3.968   7.631 -13.845
  134    H    ARG  19           H        ARG  19  -1.453   4.178 -13.109
  135    HA   ARG  19           HA       ARG  19   1.294   5.303 -13.266
  136   1HB   ARG  19          HB2       ARG  19   2.401   3.202 -12.830
  137   2HB   ARG  19          HB3       ARG  19   1.324   3.475 -11.480
  138   1HG   ARG  19          HG2       ARG  19  -0.284   1.906 -12.375
  139   2HG   ARG  19          HG3       ARG  19   0.644   1.724 -13.902
  140   1HD   ARG  19          HD2       ARG  19   2.292   0.411 -12.970
  141   2HD   ARG  19          HD3       ARG  19   1.810   0.748 -11.326
  142    HE   ARG  19           HE       ARG  19  -0.481  -0.271 -12.233
  143   1HH1  ARG  19          1HH2      ARG  19   2.717  -1.774 -12.212
  144   2HH1  ARG  19          2HH2      ARG  19   2.158  -3.305 -12.750
  145   1HH2  ARG  19          2HH1      ARG  19  -1.222  -2.364 -12.984
  146   2HH2  ARG  19          1HH1      ARG  19  -0.050  -3.632 -13.097
  147    H    TRP  20           H        TRP  20   2.570   4.168 -14.863
  148    HA   TRP  20           HA       TRP  20   1.159   3.144 -17.285
  149   1HB   TRP  20          HB2       TRP  20   3.852   4.490 -16.866
  150   2HB   TRP  20          HB3       TRP  20   3.217   3.884 -18.406
  151    HD1  TRP  20           HD1      TRP  20   2.702   6.723 -15.887
  152    HE1  TRP  20           HE1      TRP  20   1.190   8.514 -16.854
  153    HE3  TRP  20           HE3      TRP  20   1.479   4.447 -20.277
  154    HZ2  TRP  20           HZ2      TRP  20  -0.527   8.859 -19.127
  155    HZ3  TRP  20           HZ3      TRP  20  -0.165   5.508 -21.827
  156    HH2  TRP  20           HH2      TRP  20  -1.163   7.721 -21.267
  157    H    HIS  21           H        HIS  21   1.851   0.965 -17.742
  158    HA   HIS  21           HA       HIS  21   3.801  -0.218 -15.821
  159   1HB   HIS  21          HB2       HIS  21   1.866  -0.719 -14.756
  160   2HB   HIS  21          HB3       HIS  21   0.877  -0.766 -16.201
  161    HD2  HIS  21           HD2      HIS  21   3.940  -3.056 -16.080
  162    HE1  HIS  21           HE1      HIS  21   0.533  -5.556 -15.741
  163    HE2  HIS  21           HE2      HIS  21   3.067  -5.503 -16.020
  164    H    CYS  22           H        CYS  22   5.287  -1.273 -16.841
  165    HA   CYS  22           HA       CYS  22   5.299  -1.848 -19.678
  166   1HB   CYS  22          HB2       CYS  22   7.100  -1.761 -17.339
  167   2HB   CYS  22          HB3       CYS  22   7.448  -3.119 -18.386
  168    H    THR  23           H        THR  23   4.523  -3.541 -20.617
  169    HA   THR  23           HA       THR  23   3.978  -6.006 -19.062
  170    HB   THR  23           HB       THR  23   2.292  -6.597 -20.861
  171    HG1  THR  23           HG1      THR  23   3.306  -4.361 -21.954
  172   1HG2  THR  23          1HG2      THR  23   1.964  -3.931 -19.482
  173   2HG2  THR  23          2HG2      THR  23   0.647  -5.057 -19.949
  174   3HG2  THR  23          3HG2      THR  23   1.762  -5.490 -18.659
  175    H    VAL  24           H        VAL  24   6.374  -4.979 -20.387
  176    HA   VAL  24           HA       VAL  24   7.463  -7.126 -22.051
  177    HB   VAL  24           HB       VAL  24   7.527  -4.909 -22.932
  178   1HG1  VAL  24          1HG1      VAL  24   7.061  -3.166 -21.822
  179   2HG1  VAL  24          2HG1      VAL  24   7.499  -3.842 -20.267
  180   3HG1  VAL  24          3HG1      VAL  24   8.751  -3.137 -21.236
  181   1HG2  VAL  24          1HG2      VAL  24   9.864  -4.285 -23.046
  182   2HG2  VAL  24          2HG2      VAL  24  10.206  -5.145 -21.512
  183   3HG2  VAL  24          3HG2      VAL  24   9.770  -6.062 -22.970
  184    H    CYS  25           H        CYS  25   8.400  -4.883 -19.470
  185    HA   CYS  25           HA       CYS  25  10.334  -6.533 -18.159
  186   1HB   CYS  25          HB2       CYS  25   8.792  -4.177 -16.995
  187   2HB   CYS  25          HB3       CYS  25  10.401  -4.712 -16.541
  188    H    GLU  26           H        GLU  26   9.993  -6.923 -15.682
  189    HA   GLU  26           HA       GLU  26   7.586  -8.524 -15.256
  190   1HB   GLU  26          HB2       GLU  26  10.279  -8.247 -13.963
  191   2HB   GLU  26          HB3       GLU  26   8.941  -8.631 -12.884
  192   1HG   GLU  26          HG2       GLU  26   8.244 -10.499 -14.272
  193   2HG   GLU  26          HG3       GLU  26   9.579 -10.212 -15.377
  194    H    ASP  27           H        ASP  27   6.005  -6.902 -15.302
  195    HA   ASP  27           HA       ASP  27   4.588  -5.330 -14.521
  196   1HB   ASP  27          HB2       ASP  27   4.226  -7.285 -13.019
  197   2HB   ASP  27          HB3       ASP  27   5.310  -6.549 -11.849
  198    H    TYR  28           H        TYR  28   7.118  -4.326 -14.949
  199    HA   TYR  28           HA       TYR  28   7.936  -2.494 -12.900
  200   1HB   TYR  28          HB2       TYR  28   9.382  -3.314 -14.765
  201   2HB   TYR  28          HB3       TYR  28   8.406  -2.440 -15.897
  202    HD1  TYR  28           HD1      TYR  28  11.334  -2.281 -13.954
  203    HD2  TYR  28           HD2      TYR  28   8.269   0.139 -15.731
  204    HE1  TYR  28           HE1      TYR  28  12.843  -0.309 -13.826
  205    HE2  TYR  28           HE2      TYR  28   9.763   2.114 -15.640
  206    HH   TYR  28           HH       TYR  28  13.041   1.988 -14.209
  207    H    ASP  29           H        ASP  29   7.462  -0.248 -12.742
  208    HA   ASP  29           HA       ASP  29   4.996   0.635 -14.183
  209   1HB   ASP  29          HB2       ASP  29   5.548   1.642 -11.411
  210   2HB   ASP  29          HB3       ASP  29   4.038   1.322 -12.184
  211    H    LEU  30           H        LEU  30   4.691   2.988 -14.129
  212    HA   LEU  30           HA       LEU  30   6.807   4.641 -13.002
  213   1HB   LEU  30          HB2       LEU  30   5.929   4.735 -15.915
  214   2HB   LEU  30          HB3       LEU  30   6.735   6.048 -15.067
  215    HG   LEU  30           HG       LEU  30   7.892   3.287 -15.640
  216   1HD1  LEU  30          1HD1      LEU  30   7.771   4.802 -17.581
  217   2HD1  LEU  30          2HD1      LEU  30   8.662   6.050 -16.663
  218   3HD1  LEU  30          3HD1      LEU  30   9.451   4.529 -17.087
  219   1HD2  LEU  30          1HD2      LEU  30   8.825   4.236 -13.459
  220   2HD2  LEU  30          2HD2      LEU  30  10.036   4.135 -14.744
  221   3HD2  LEU  30          3HD2      LEU  30   9.284   5.687 -14.359
  222    H    CYS  31           H        CYS  31   5.864   6.475 -12.051
  223    HA   CYS  31           HA       CYS  31   3.034   7.030 -12.302
  224   1HB   CYS  31          HB2       CYS  31   3.616   9.087 -11.110
  225   2HB   CYS  31          HB3       CYS  31   4.339   7.732 -10.285
  226    H    ILE  32           H        ILE  32   2.354   9.208 -13.052
  227    HA   ILE  32           HA       ILE  32   2.718   9.369 -15.766
  228    HB   ILE  32           HB       ILE  32   1.880  11.664 -13.947
  229   1HG1  ILE  32          2HG1      ILE  32   0.420   9.792 -13.344
  230   2HG1  ILE  32          3HG1      ILE  32  -0.427  11.015 -14.241
  231   1HG2  ILE  32          1HG2      ILE  32   0.485  12.191 -16.028
  232   2HG2  ILE  32          2HG2      ILE  32   2.238  12.469 -16.134
  233   3HG2  ILE  32          3HG2      ILE  32   1.520  11.030 -16.894
  234   1HD1  ILE  32          1HD1      ILE  32  -0.127   9.502 -16.337
  235   2HD1  ILE  32          2HD1      ILE  32   0.286   8.224 -15.133
  236   3HD1  ILE  32          3HD1      ILE  32  -1.279   9.036 -15.112
  237    H    ASN  33           H        ASN  33   4.374  11.320 -13.270
  238    HA   ASN  33           HA       ASN  33   5.744  13.056 -15.082
  239   1HB   ASN  33          HB2       ASN  33   5.547  13.858 -12.884
  240   2HB   ASN  33          HB3       ASN  33   5.973  12.324 -12.139
  241   1HD2  ASN  33          2HD2      ASN  33   8.181  11.817 -11.715
  242   2HD2  ASN  33          1HD2      ASN  33   9.440  12.988 -12.002
  243    H    CYS  34           H        CYS  34   6.769  10.009 -13.494
  244    HA   CYS  34           HA       CYS  34   9.419  10.111 -14.642
  245   1HB   CYS  34          HB2       CYS  34   7.760   7.922 -13.333
  246   2HB   CYS  34          HB3       CYS  34   9.366   7.657 -14.031
  247    H    TYR  35           H        TYR  35   6.347   8.491 -15.657
  248    HA   TYR  35           HA       TYR  35   7.424   7.258 -17.949
  249   1HB   TYR  35          HB2       TYR  35   5.196   6.766 -17.159
  250   2HB   TYR  35          HB3       TYR  35   4.637   8.404 -17.521
  251    HD1  TYR  35           HD1      TYR  35   6.283   5.478 -19.237
  252    HD2  TYR  35           HD2      TYR  35   3.442   8.725 -19.517
  253    HE1  TYR  35           HE1      TYR  35   5.649   4.718 -21.496
  254    HE2  TYR  35           HE2      TYR  35   2.847   7.996 -21.813
  255    HH   TYR  35           HH       TYR  35   4.290   5.081 -23.297
  256    H    ASN  36           H        ASN  36   6.177  10.555 -17.513
  257    HA   ASN  36           HA       ASN  36   6.436  11.497 -20.134
  258   1HB   ASN  36          HB2       ASN  36   6.057  12.669 -17.417
  259   2HB   ASN  36          HB3       ASN  36   6.757  13.776 -18.534
  260   1HD2  ASN  36          2HD2      ASN  36   3.959  11.750 -17.912
  261   2HD2  ASN  36          1HD2      ASN  36   2.856  12.606 -19.008
  262    H    THR  37           H        THR  37   9.043  10.782 -17.974
  263    HA   THR  37           HA       THR  37  10.888  12.574 -19.523
  264    HB   THR  37           HB       THR  37  12.178  12.781 -17.382
  265    HG1  THR  37           HG1      THR  37   9.793  12.066 -16.050
  266   1HG2  THR  37          1HG2      THR  37  10.733  14.554 -16.430
  267   2HG2  THR  37          2HG2      THR  37  10.681  14.593 -18.200
  268   3HG2  THR  37          3HG2      THR  37   9.337  13.896 -17.284
  269    H    LYS  38           H        LYS  38  10.734   9.644 -17.559
  270    HA   LYS  38           HA       LYS  38  13.287   8.641 -18.231
  271   1HB   LYS  38          HB2       LYS  38  10.856   7.077 -17.262
  272   2HB   LYS  38          HB3       LYS  38  12.535   6.593 -17.121
  273   1HG   LYS  38          HG2       LYS  38  11.325   9.048 -15.741
  274   2HG   LYS  38          HG3       LYS  38  11.433   7.453 -15.012
  275   1HD   LYS  38          HD2       LYS  38  13.863   7.594 -14.943
  276   2HD   LYS  38          HD3       LYS  38  13.863   9.025 -15.969
  277   1HE   LYS  38          HE2       LYS  38  14.218   9.730 -13.675
  278   2HE   LYS  38          HE3       LYS  38  12.626  10.298 -14.217
  279   1HZ   LYS  38          HZ1       LYS  38  12.628   9.349 -11.957
  280   2HZ   LYS  38          HZ2       LYS  38  11.634   8.508 -12.911
  281   3HZ   LYS  38          HZ3       LYS  38  13.142   7.941 -12.536
  282    H    SER  39           H        SER  39  10.742   8.997 -20.346
  283    HA   SER  39           HA       SER  39  10.039   8.057 -22.229
  284   1HB   SER  39          HB2       SER  39  13.055   7.993 -22.645
  285   2HB   SER  39          HB3       SER  39  11.821   8.089 -23.917
  286    HG   SER  39           HG       SER  39  12.387  10.038 -21.909
  287    H    HIS  40           H        HIS  40   9.671   5.990 -20.539
  288    HA   HIS  40           HA       HIS  40  10.997   3.557 -21.376
  289   1HB   HIS  40          HB2       HIS  40   9.208   4.352 -19.325
  290   2HB   HIS  40          HB3       HIS  40   8.347   3.139 -20.263
  291    HD1  HIS  40           HD1      HIS  40  11.372   3.468 -17.946
  292    HD2  HIS  40           HD2      HIS  40   9.435   0.682 -20.406
  293    HE1  HIS  40           HE1      HIS  40  12.241   1.161 -17.244
  294    H    THR  41           H        THR  41  10.883   2.948 -23.361
  295    HA   THR  41           HA       THR  41   8.664   3.771 -25.022
  296    HB   THR  41           HB       THR  41  10.865   2.295 -26.298
  297    HG1  THR  41           HG1      THR  41  11.689   4.442 -24.684
  298   1HG2  THR  41          1HG2      THR  41   9.424   4.015 -27.401
  299   2HG2  THR  41          2HG2      THR  41  10.160   5.272 -26.395
  300   3HG2  THR  41          3HG2      THR  41  11.150   4.351 -27.563
  301    H    HIS  42           H        HIS  42   8.828   1.053 -23.135
  302    HA   HIS  42           HA       HIS  42   8.573  -0.931 -25.250
  303   1HB   HIS  42          HB2       HIS  42   8.194  -1.162 -22.273
  304   2HB   HIS  42          HB3       HIS  42   8.538  -2.451 -23.458
  305    HD2  HIS  42           HD2      HIS  42  11.132  -0.911 -24.800
  306    HE1  HIS  42           HE1      HIS  42  12.693  -0.982 -20.828
  307    HE2  HIS  42           HE2      HIS  42  13.303  -0.731 -23.307
  308    H    LYS  43           H        LYS  43   6.872  -2.638 -24.888
  309    HA   LYS  43           HA       LYS  43   4.313  -1.451 -25.325
  310   1HB   LYS  43          HB2       LYS  43   5.338  -3.569 -26.298
  311   2HB   LYS  43          HB3       LYS  43   4.847  -4.415 -24.826
  312   1HG   LYS  43          HG2       LYS  43   2.873  -2.787 -26.415
  313   2HG   LYS  43          HG3       LYS  43   3.380  -4.364 -27.018
  314   1HD   LYS  43          HD2       LYS  43   1.609  -5.162 -25.859
  315   2HD   LYS  43          HD3       LYS  43   2.717  -5.106 -24.492
  316   1HE   LYS  43          HE2       LYS  43   1.934  -2.680 -24.133
  317   2HE   LYS  43          HE3       LYS  43   0.702  -2.954 -25.339
  318   1HZ   LYS  43          HZ1       LYS  43  -0.021  -3.213 -23.081
  319   2HZ   LYS  43          HZ2       LYS  43  -0.255  -4.647 -23.895
  320   3HZ   LYS  43          HZ3       LYS  43   0.984  -4.468 -22.828
  321    H    MET  44           H        MET  44   3.489  -0.367 -23.672
  322    HA   MET  44           HA       MET  44   3.302  -1.586 -20.956
  323   1HB   MET  44          HB2       MET  44   3.370   1.257 -22.012
  324   2HB   MET  44          HB3       MET  44   2.756   0.907 -20.390
  325   1HG   MET  44          HG2       MET  44   4.645   0.094 -19.569
  326   2HG   MET  44          HG3       MET  44   5.472  -0.115 -21.124
  327   1HE   MET  44          HE1       MET  44   6.168   2.960 -18.066
  328   2HE   MET  44          HE2       MET  44   4.633   2.090 -18.019
  329   3HE   MET  44          HE3       MET  44   6.131   1.173 -18.121
  330    H    VAL  45           H        VAL  45   1.342  -0.509 -19.759
  331    HA   VAL  45           HA       VAL  45  -1.175  -0.274 -21.178
  332    HB   VAL  45           HB       VAL  45  -2.121  -1.516 -19.238
  333   1HG1  VAL  45          1HG1      VAL  45  -1.926  -3.698 -20.177
  334   2HG1  VAL  45          2HG1      VAL  45  -1.883  -2.544 -21.523
  335   3HG1  VAL  45          3HG1      VAL  45  -0.364  -3.329 -20.952
  336   1HG2  VAL  45          1HG2      VAL  45   0.692  -2.513 -18.784
  337   2HG2  VAL  45          2HG2      VAL  45  -0.329  -1.544 -17.717
  338   3HG2  VAL  45          3HG2      VAL  45  -0.745  -3.248 -18.082
  339    H    LYS  46           H        LYS  46  -2.643   0.711 -19.182
  340    HA   LYS  46           HA       LYS  46  -1.052   2.317 -17.322
  341   1HB   LYS  46          HB2       LYS  46  -1.313   3.591 -19.539
  342   2HB   LYS  46          HB3       LYS  46  -3.042   3.606 -19.254
  343   1HG   LYS  46          HG2       LYS  46  -0.991   4.872 -17.368
  344   2HG   LYS  46          HG3       LYS  46  -1.716   5.675 -18.729
  345   1HD   LYS  46          HD2       LYS  46  -4.027   5.263 -17.622
  346   2HD   LYS  46          HD3       LYS  46  -3.120   4.823 -16.176
  347   1HE   LYS  46          HE2       LYS  46  -3.558   7.117 -15.984
  348   2HE   LYS  46          HE3       LYS  46  -1.838   6.990 -16.401
  349   1HZ   LYS  46          HZ1       LYS  46  -4.101   7.715 -18.171
  350   2HZ   LYS  46          HZ2       LYS  46  -3.012   8.709 -17.629
  351   3HZ   LYS  46          HZ3       LYS  46  -2.532   7.579 -18.719
  352    H    TRP  47           H        TRP  47  -2.231   2.599 -15.491
  353    HA   TRP  47           HA       TRP  47  -5.053   1.691 -15.465
  354   1HB   TRP  47          HB2       TRP  47  -2.987   0.942 -13.349
  355   2HB   TRP  47          HB3       TRP  47  -4.653   0.376 -13.488
  356    HD1  TRP  47           HD1      TRP  47  -1.166  -0.382 -14.488
  357    HE1  TRP  47           HE1      TRP  47  -1.023  -2.463 -15.989
  358    HE3  TRP  47           HE3      TRP  47  -6.064  -0.737 -15.845
  359    HZ2  TRP  47           HZ2      TRP  47  -2.734  -3.808 -17.858
  360    HZ3  TRP  47           HZ3      TRP  47  -6.728  -2.331 -17.665
  361    HH2  TRP  47           HH2      TRP  47  -5.099  -3.879 -18.613
  362    H    GLY  48           H        GLY  48  -6.229   3.321 -14.379
  363   1HA   GLY  48          HA2       GLY  48  -4.794   5.145 -12.625
  364   2HA   GLY  48          HA3       GLY  48  -5.420   5.833 -14.141
  365    H    LEU  49           H        LEU  49  -5.978   6.339 -11.425
  366    HA   LEU  49           HA       LEU  49  -8.884   5.897 -11.412
  367   1HB   LEU  49          HB2       LEU  49  -6.885   5.116  -9.266
  368   2HB   LEU  49          HB3       LEU  49  -8.487   5.591  -8.790
  369    HG   LEU  49           HG       LEU  49  -8.578   3.379  -8.794
  370   1HD1  LEU  49          1HD1      LEU  49  -9.793   3.866 -11.515
  371   2HD1  LEU  49          2HD1      LEU  49 -10.263   2.664 -10.296
  372   3HD1  LEU  49          3HD1      LEU  49 -10.539   4.386  -9.997
  373   1HD2  LEU  49          1HD2      LEU  49  -7.786   1.753 -10.159
  374   2HD2  LEU  49          2HD2      LEU  49  -7.625   2.780 -11.571
  375   3HD2  LEU  49          3HD2      LEU  49  -6.480   2.981 -10.214
  376    H    GLY  50           H        GLY  50  -6.398   8.243 -11.313
  377   1HA   GLY  50          HA2       GLY  50  -8.392  10.181 -10.379
  378   2HA   GLY  50          HA3       GLY  50  -7.001   9.999  -9.300
  379    H    LEU  51           H        LEU  51  -4.824   9.931 -10.734
  380    HA   LEU  51           HA       LEU  51  -4.777  12.480 -12.261
  381   1HB   LEU  51          HB2       LEU  51  -2.653  10.842 -10.810
  382   2HB   LEU  51          HB3       LEU  51  -2.264  12.123 -11.925
  383    HG   LEU  51           HG       LEU  51  -3.382  13.803 -10.551
  384   1HD1  LEU  51          1HD1      LEU  51  -3.938  11.472  -8.661
  385   2HD1  LEU  51          2HD1      LEU  51  -3.989  13.180  -8.137
  386   3HD1  LEU  51          3HD1      LEU  51  -5.121  12.612  -9.359
  387   1HD2  LEU  51          1HD2      LEU  51  -1.437  12.058  -8.986
  388   2HD2  LEU  51          2HD2      LEU  51  -0.983  13.265 -10.219
  389   3HD2  LEU  51          3HD2      LEU  51  -1.735  13.800  -8.722
  390    H    ASP  52           H        ASP  52  -5.894  11.129 -14.053
  391    HA   ASP  52           HA       ASP  52  -4.224   9.080 -15.299
  392   1HB   ASP  52          HB2       ASP  52  -6.834   9.203 -15.236
  393   2HB   ASP  52          HB3       ASP  52  -6.644  10.216 -16.670
  Start of MODEL    3
    1   1H    GLY   1           H1       GLY   1   5.049  -3.263  -9.410
    2   2H    GLY   1           H2       GLY   1   3.738  -3.638 -10.337
    3   3H    GLY   1           H3       GLY   1   4.004  -2.089  -9.909
    4   1HA   GLY   1          HA2       GLY   1   3.269  -4.290  -8.127
    5   2HA   GLY   1          HA3       GLY   1   3.651  -2.644  -7.568
    6    H    GLN   2           H        GLN   2   0.972  -4.306  -7.499
    7    HA   GLN   2           HA       GLN   2  -0.655  -2.062  -8.368
    8   1HB   GLN   2          HB2       GLN   2  -2.130  -3.716  -9.735
    9   2HB   GLN   2          HB3       GLN   2  -0.672  -3.057 -10.458
   10   1HG   GLN   2          HG2       GLN   2   0.525  -5.198 -10.047
   11   2HG   GLN   2          HG3       GLN   2  -0.954  -5.871  -9.362
   12   1HE2  GLN   2          2HE2      GLN   2   0.844  -5.701 -12.227
   13   2HE2  GLN   2          1HE2      GLN   2  -0.461  -6.093 -13.339
   14    H    ASP   3           H        ASP   3  -2.732  -2.101  -7.795
   15    HA   ASP   3           HA       ASP   3  -3.993  -3.956  -5.918
   16   1HB   ASP   3          HB2       ASP   3  -3.006  -2.380  -4.340
   17   2HB   ASP   3          HB3       ASP   3  -3.394  -1.000  -5.367
   18    H    ARG   4           H        ARG   4  -6.397  -3.108  -5.857
   19    HA   ARG   4           HA       ARG   4  -7.298  -2.851  -8.533
   20   1HB   ARG   4          HB2       ARG   4  -9.564  -2.466  -7.503
   21   2HB   ARG   4          HB3       ARG   4  -8.734  -3.964  -7.135
   22   1HG   ARG   4          HG2       ARG   4  -9.900  -3.168  -5.205
   23   2HG   ARG   4          HG3       ARG   4  -8.166  -3.228  -4.889
   24   1HD   ARG   4          HD2       ARG   4  -8.023  -0.800  -4.994
   25   2HD   ARG   4          HD3       ARG   4  -9.674  -0.678  -5.634
   26    HE   ARG   4           HE       ARG   4 -10.530  -0.836  -3.543
   27   1HH1  ARG   4          1HH2      ARG   4  -7.044  -1.625  -3.264
   28   2HH1  ARG   4          2HH2      ARG   4  -7.007  -1.605  -1.589
   29   1HH2  ARG   4          1HH1      ARG   4 -10.496  -0.757  -1.277
   30   2HH2  ARG   4          2HH1      ARG   4  -9.010  -0.993  -0.413
   31    H    PHE   5           H        PHE   5  -6.453  -0.232  -6.268
   32    HA   PHE   5           HA       PHE   5  -6.817   1.571  -8.529
   33   1HB   PHE   5          HB2       PHE   5  -8.052   3.262  -7.333
   34   2HB   PHE   5          HB3       PHE   5  -8.966   1.814  -7.662
   35    HD1  PHE   5           HD1      PHE   5 -10.692   2.480  -6.136
   36    HD2  PHE   5           HD2      PHE   5  -6.675   1.911  -4.660
   37    HE1  PHE   5           HE1      PHE   5 -11.540   2.519  -3.805
   38    HE2  PHE   5           HE2      PHE   5  -7.501   2.019  -2.368
   39    HZ   PHE   5           HZ       PHE   5  -9.941   2.318  -1.911
   40    H    VAL   6           H        VAL   6  -4.650   0.385  -6.717
   41    HA   VAL   6           HA       VAL   6  -3.149   2.887  -6.404
   42    HB   VAL   6           HB       VAL   6  -3.955   1.034  -4.189
   43   1HG1  VAL   6          1HG1      VAL   6  -1.632   0.357  -4.296
   44   2HG1  VAL   6          2HG1      VAL   6  -1.113   2.057  -4.304
   45   3HG1  VAL   6          3HG1      VAL   6  -1.934   1.355  -2.871
   46   1HG2  VAL   6          1HG2      VAL   6  -4.676   3.335  -4.392
   47   2HG2  VAL   6          2HG2      VAL   6  -3.656   3.111  -2.946
   48   3HG2  VAL   6          3HG2      VAL   6  -3.020   3.901  -4.451
   49    H    TYR   7           H        TYR   7  -0.993   2.576  -6.692
   50    HA   TYR   7           HA       TYR   7  -0.010   0.047  -7.850
   51   1HB   TYR   7          HB2       TYR   7  -0.455   2.751  -9.216
   52   2HB   TYR   7          HB3       TYR   7   0.493   1.474  -9.921
   53    HD1  TYR   7           HD1      TYR   7  -0.849  -0.849 -10.227
   54    HD2  TYR   7           HD2      TYR   7  -2.826   2.868  -9.350
   55    HE1  TYR   7           HE1      TYR   7  -2.986  -1.775 -11.105
   56    HE2  TYR   7           HE2      TYR   7  -4.950   1.900  -9.896
   57    HH   TYR   7           HH       TYR   7  -6.073  -0.035 -10.811
   58    H    THR   8           H        THR   8   2.333   0.998  -8.881
   59    HA   THR   8           HA       THR   8   3.596   2.853  -6.933
   60    HB   THR   8           HB       THR   8   5.665   1.212  -7.535
   61    HG1  THR   8           HG1      THR   8   4.788  -0.339  -8.685
   62   1HG2  THR   8          1HG2      THR   8   5.231   1.590  -5.294
   63   2HG2  THR   8          2HG2      THR   8   3.609   0.800  -5.374
   64   3HG2  THR   8          3HG2      THR   8   5.114  -0.149  -5.476
   65    H    CYS   9           H        CYS   9   5.706   3.601  -7.851
   66    HA   CYS   9           HA       CYS   9   5.764   3.788 -10.846
   67   1HB   CYS   9          HB2       CYS   9   5.513   6.086  -9.901
   68   2HB   CYS   9          HB3       CYS   9   6.813   5.769  -8.740
   69    H    ASN  10           H        ASN  10   7.345   2.133 -11.219
   70    HA   ASN  10           HA       ASN  10   9.107   1.318  -9.107
   71   1HB   ASN  10          HB2       ASN  10   8.214  -0.220 -10.916
   72   2HB   ASN  10          HB3       ASN  10   9.338   0.584 -12.036
   73   1HD2  ASN  10          2HD2      ASN  10  11.048  -0.905 -12.286
   74   2HD2  ASN  10          1HD2      ASN  10  11.821  -1.741 -10.949
   75    H    GLU  11           H        GLU  11   9.172   4.160 -10.814
   76    HA   GLU  11           HA       GLU  11  12.091   4.205 -10.746
   77   1HB   GLU  11          HB2       GLU  11  10.178   5.720 -12.352
   78   2HB   GLU  11          HB3       GLU  11  11.360   6.739 -11.533
   79   1HG   GLU  11          HG2       GLU  11  12.158   4.265 -13.111
   80   2HG   GLU  11          HG3       GLU  11  12.173   5.883 -13.786
   81    H    CYS  12           H        CYS  12   9.271   5.333  -9.012
   82    HA   CYS  12           HA       CYS  12  10.959   7.039  -7.231
   83   1HB   CYS  12          HB2       CYS  12   7.958   6.573  -7.154
   84   2HB   CYS  12          HB3       CYS  12   8.898   7.783  -6.260
   85    H    LYS  13           H        LYS  13   9.423   3.955  -7.526
   86    HA   LYS  13           HA       LYS  13   8.887   2.202  -6.183
   87   1HB   LYS  13          HB2       LYS  13  11.668   2.913  -5.115
   88   2HB   LYS  13          HB3       LYS  13  10.731   1.535  -4.540
   89   1HG   LYS  13          HG2       LYS  13  11.483   0.306  -6.244
   90   2HG   LYS  13          HG3       LYS  13  10.546   1.298  -7.342
   91   1HD   LYS  13          HD2       LYS  13  13.507   1.505  -6.698
   92   2HD   LYS  13          HD3       LYS  13  12.667   1.115  -8.208
   93   1HE   LYS  13          HE2       LYS  13  11.688   3.489  -8.073
   94   2HE   LYS  13          HE3       LYS  13  12.965   3.833  -6.900
   95   1HZ   LYS  13          HZ1       LYS  13  14.563   3.194  -8.729
   96   2HZ   LYS  13          HZ2       LYS  13  13.260   2.950  -9.719
   97   3HZ   LYS  13          HZ3       LYS  13  13.578   4.419  -9.168
   98    H    HIS  14           H        HIS  14   7.554   4.338  -5.795
   99    HA   HIS  14           HA       HIS  14   6.658   3.942  -3.041
  100   1HB   HIS  14          HB2       HIS  14   7.799   6.129  -2.961
  101   2HB   HIS  14          HB3       HIS  14   6.890   6.682  -4.362
  102    HD2  HIS  14           HD2      HIS  14   4.751   7.990  -3.849
  103    HE1  HIS  14           HE1      HIS  14   3.601   6.170  -0.181
  104    HE2  HIS  14           HE2      HIS  14   2.925   7.828  -1.997
  105    H    HIS  15           H        HIS  15   4.389   4.675  -2.942
  106    HA   HIS  15           HA       HIS  15   2.853   3.360  -4.956
  107   1HB   HIS  15          HB2       HIS  15   1.594   3.051  -3.132
  108   2HB   HIS  15          HB3       HIS  15   2.527   4.223  -2.220
  109    HD2  HIS  15           HD2      HIS  15  -0.571   4.098  -4.534
  110    HE1  HIS  15           HE1      HIS  15  -0.856   7.680  -2.291
  111    HE2  HIS  15           HE2      HIS  15  -2.059   6.157  -3.941
  112    H    VAL  16           H        VAL  16   1.122   4.250  -6.177
  113    HA   VAL  16           HA       VAL  16   0.786   7.105  -6.517
  114    HB   VAL  16           HB       VAL  16   1.217   7.084  -8.909
  115   1HG1  VAL  16          1HG1      VAL  16   3.303   7.325  -7.704
  116   2HG1  VAL  16          2HG1      VAL  16   3.554   5.563  -7.675
  117   3HG1  VAL  16          3HG1      VAL  16   3.531   6.405  -9.208
  118   1HG2  VAL  16          1HG2      VAL  16   0.290   4.907  -9.582
  119   2HG2  VAL  16          2HG2      VAL  16   1.921   5.106 -10.197
  120   3HG2  VAL  16          3HG2      VAL  16   1.625   4.064  -8.787
  121    H    GLU  17           H        GLU  17  -1.398   7.492  -7.556
  122    HA   GLU  17           HA       GLU  17  -3.207   5.194  -7.170
  123   1HB   GLU  17          HB2       GLU  17  -4.903   6.704  -7.110
  124   2HB   GLU  17          HB3       GLU  17  -3.597   7.598  -6.359
  125   1HG   GLU  17          HG2       GLU  17  -4.734   7.973  -9.138
  126   2HG   GLU  17          HG3       GLU  17  -4.874   9.084  -7.811
  127    H    THR  18           H        THR  18  -1.588   7.008  -9.754
  128    HA   THR  18           HA       THR  18  -2.878   5.192 -11.747
  129    HB   THR  18           HB       THR  18  -2.207   8.142 -12.139
  130    HG1  THR  18           HG1      THR  18  -3.770   8.354 -10.972
  131   1HG2  THR  18          1HG2      THR  18  -4.088   6.499 -13.906
  132   2HG2  THR  18          2HG2      THR  18  -3.291   8.040 -14.240
  133   3HG2  THR  18          3HG2      THR  18  -2.344   6.566 -14.228
  134    H    ARG  19           H        ARG  19  -1.482   4.199 -13.188
  135    HA   ARG  19           HA       ARG  19   1.286   5.236 -13.328
  136   1HB   ARG  19          HB2       ARG  19   2.353   3.165 -12.843
  137   2HB   ARG  19          HB3       ARG  19   1.204   3.383 -11.533
  138   1HG   ARG  19          HG2       ARG  19  -0.397   1.872 -12.608
  139   2HG   ARG  19          HG3       ARG  19   0.686   1.658 -13.988
  140   1HD   ARG  19          HD2       ARG  19   2.195   0.329 -12.918
  141   2HD   ARG  19          HD3       ARG  19   1.644   0.712 -11.306
  142    HE   ARG  19           HE       ARG  19  -0.627  -0.300 -12.336
  143   1HH1  ARG  19          1HH2      ARG  19   2.609  -1.749 -12.212
  144   2HH1  ARG  19          2HH2      ARG  19   2.093  -3.296 -12.737
  145   1HH2  ARG  19          2HH1      ARG  19  -1.315  -2.439 -13.053
  146   2HH2  ARG  19          1HH1      ARG  19  -0.103  -3.649 -13.201
  147    H    TRP  20           H        TRP  20   2.564   4.145 -14.902
  148    HA   TRP  20           HA       TRP  20   1.207   3.134 -17.366
  149   1HB   TRP  20          HB2       TRP  20   3.870   4.508 -16.863
  150   2HB   TRP  20          HB3       TRP  20   3.295   3.878 -18.412
  151    HD1  TRP  20           HD1      TRP  20   2.611   6.728 -15.919
  152    HE1  TRP  20           HE1      TRP  20   0.941   8.374 -16.879
  153    HE3  TRP  20           HE3      TRP  20   1.742   4.432 -20.389
  154    HZ2  TRP  20           HZ2      TRP  20  -0.558   8.729 -19.322
  155    HZ3  TRP  20           HZ3      TRP  20   0.177   5.445 -22.020
  156    HH2  TRP  20           HH2      TRP  20  -0.995   7.602 -21.500
  157    H    HIS  21           H        HIS  21   1.823   0.939 -17.747
  158    HA   HIS  21           HA       HIS  21   3.694  -0.273 -15.769
  159   1HB   HIS  21          HB2       HIS  21   1.659  -0.741 -14.806
  160   2HB   HIS  21          HB3       HIS  21   0.800  -0.775 -16.305
  161    HD2  HIS  21           HD2      HIS  21   3.805  -3.131 -15.970
  162    HE1  HIS  21           HE1      HIS  21   0.306  -5.519 -15.750
  163    HE2  HIS  21           HE2      HIS  21   2.850  -5.570 -15.872
  164    H    CYS  22           H        CYS  22   5.236  -1.316 -16.787
  165    HA   CYS  22           HA       CYS  22   5.282  -1.954 -19.606
  166   1HB   CYS  22          HB2       CYS  22   7.007  -1.903 -17.208
  167   2HB   CYS  22          HB3       CYS  22   7.372  -3.220 -18.326
  168    H    THR  23           H        THR  23   4.485  -3.582 -20.569
  169    HA   THR  23           HA       THR  23   4.015  -6.079 -19.000
  170    HB   THR  23           HB       THR  23   2.287  -6.747 -20.629
  171    HG1  THR  23           HG1      THR  23   3.196  -4.512 -21.887
  172   1HG2  THR  23          1HG2      THR  23   2.018  -4.018 -19.398
  173   2HG2  THR  23          2HG2      THR  23   0.658  -5.123 -19.787
  174   3HG2  THR  23          3HG2      THR  23   1.817  -5.553 -18.520
  175    H    VAL  24           H        VAL  24   6.353  -5.005 -20.348
  176    HA   VAL  24           HA       VAL  24   7.426  -7.105 -22.065
  177    HB   VAL  24           HB       VAL  24   7.508  -4.884 -22.908
  178   1HG1  VAL  24          1HG1      VAL  24   6.989  -3.171 -21.799
  179   2HG1  VAL  24          2HG1      VAL  24   7.427  -3.847 -20.252
  180   3HG1  VAL  24          3HG1      VAL  24   8.675  -3.099 -21.176
  181   1HG2  VAL  24          1HG2      VAL  24   9.875  -4.232 -22.946
  182   2HG2  VAL  24          2HG2      VAL  24  10.167  -5.099 -21.434
  183   3HG2  VAL  24          3HG2      VAL  24   9.806  -6.016 -22.921
  184    H    CYS  25           H        CYS  25   8.299  -4.903 -19.406
  185    HA   CYS  25           HA       CYS  25  10.227  -6.623 -18.157
  186   1HB   CYS  25          HB2       CYS  25   8.757  -4.267 -16.949
  187   2HB   CYS  25          HB3       CYS  25  10.381  -4.820 -16.554
  188    H    GLU  26           H        GLU  26   9.870  -7.010 -15.656
  189    HA   GLU  26           HA       GLU  26   7.375  -8.491 -15.278
  190   1HB   GLU  26          HB2       GLU  26  10.074  -8.437 -14.024
  191   2HB   GLU  26          HB3       GLU  26   8.743  -8.744 -12.921
  192   1HG   GLU  26          HG2       GLU  26   7.902 -10.562 -14.378
  193   2HG   GLU  26          HG3       GLU  26   9.267 -10.330 -15.462
  194    H    ASP  27           H        ASP  27   5.796  -6.990 -15.114
  195    HA   ASP  27           HA       ASP  27   4.473  -5.346 -14.338
  196   1HB   ASP  27          HB2       ASP  27   4.165  -7.268 -12.821
  197   2HB   ASP  27          HB3       ASP  27   5.245  -6.511 -11.657
  198    H    TYR  28           H        TYR  28   7.034  -4.363 -14.822
  199    HA   TYR  28           HA       TYR  28   7.907  -2.488 -12.839
  200   1HB   TYR  28          HB2       TYR  28   9.292  -3.406 -14.699
  201   2HB   TYR  28          HB3       TYR  28   8.308  -2.529 -15.854
  202    HD1  TYR  28           HD1      TYR  28  11.381  -2.409 -14.061
  203    HD2  TYR  28           HD2      TYR  28   8.190   0.055 -15.605
  204    HE1  TYR  28           HE1      TYR  28  12.823  -0.404 -13.868
  205    HE2  TYR  28           HE2      TYR  28   9.664   2.040 -15.486
  206    HH   TYR  28           HH       TYR  28  11.623   2.855 -14.686
  207    H    ASP  29           H        ASP  29   7.432  -0.234 -12.692
  208    HA   ASP  29           HA       ASP  29   4.957   0.628 -14.124
  209   1HB   ASP  29          HB2       ASP  29   5.481   1.618 -11.355
  210   2HB   ASP  29          HB3       ASP  29   3.980   1.319 -12.187
  211    H    LEU  30           H        LEU  30   4.645   2.950 -14.122
  212    HA   LEU  30           HA       LEU  30   6.775   4.617 -13.027
  213   1HB   LEU  30          HB2       LEU  30   5.888   4.715 -15.941
  214   2HB   LEU  30          HB3       LEU  30   6.686   6.019 -15.103
  215    HG   LEU  30           HG       LEU  30   7.799   3.242 -15.612
  216   1HD1  LEU  30          1HD1      LEU  30   8.713   5.936 -16.735
  217   2HD1  LEU  30          2HD1      LEU  30   9.345   4.317 -17.139
  218   3HD1  LEU  30          3HD1      LEU  30   7.692   4.759 -17.597
  219   1HD2  LEU  30          1HD2      LEU  30   9.999   4.105 -14.774
  220   2HD2  LEU  30          2HD2      LEU  30   9.232   5.672 -14.427
  221   3HD2  LEU  30          3HD2      LEU  30   8.796   4.214 -13.508
  222    H    CYS  31           H        CYS  31   5.897   6.448 -12.072
  223    HA   CYS  31           HA       CYS  31   3.072   6.987 -12.178
  224   1HB   CYS  31          HB2       CYS  31   3.653   9.084 -11.113
  225   2HB   CYS  31          HB3       CYS  31   4.463   7.797 -10.249
  226    H    ILE  32           H        ILE  32   2.377   9.218 -12.972
  227    HA   ILE  32           HA       ILE  32   2.697   9.310 -15.737
  228    HB   ILE  32           HB       ILE  32   1.847  11.654 -13.977
  229   1HG1  ILE  32          2HG1      ILE  32   0.522   9.865 -13.154
  230   2HG1  ILE  32          3HG1      ILE  32  -0.465  10.878 -14.210
  231   1HG2  ILE  32          1HG2      ILE  32   2.187  12.268 -16.267
  232   2HG2  ILE  32          2HG2      ILE  32   1.333  10.840 -16.870
  233   3HG2  ILE  32          3HG2      ILE  32   0.421  12.115 -16.014
  234   1HD1  ILE  32          1HD1      ILE  32  -0.318   9.177 -15.991
  235   2HD1  ILE  32          2HD1      ILE  32   0.638   8.134 -14.912
  236   3HD1  ILE  32          3HD1      ILE  32  -1.032   8.563 -14.512
  237    H    ASN  33           H        ASN  33   4.302  11.345 -13.273
  238    HA   ASN  33           HA       ASN  33   5.651  13.033 -15.143
  239   1HB   ASN  33          HB2       ASN  33   5.508  13.825 -12.887
  240   2HB   ASN  33          HB3       ASN  33   6.066  12.291 -12.206
  241   1HD2  ASN  33          2HD2      ASN  33   8.289  11.784 -12.071
  242   2HD2  ASN  33          1HD2      ASN  33   9.495  13.040 -12.319
  243    H    CYS  34           H        CYS  34   6.714  10.031 -13.524
  244    HA   CYS  34           HA       CYS  34   9.348  10.132 -14.668
  245   1HB   CYS  34          HB2       CYS  34   7.720   7.942 -13.315
  246   2HB   CYS  34          HB3       CYS  34   9.294   7.638 -14.092
  247    H    TYR  35           H        TYR  35   6.256   8.537 -15.703
  248    HA   TYR  35           HA       TYR  35   7.367   7.196 -17.921
  249   1HB   TYR  35          HB2       TYR  35   5.089   6.796 -17.143
  250   2HB   TYR  35          HB3       TYR  35   4.606   8.436 -17.592
  251    HD1  TYR  35           HD1      TYR  35   6.297   5.450 -19.184
  252    HD2  TYR  35           HD2      TYR  35   3.394   8.611 -19.588
  253    HE1  TYR  35           HE1      TYR  35   5.797   4.655 -21.460
  254    HE2  TYR  35           HE2      TYR  35   2.880   7.811 -21.902
  255    HH   TYR  35           HH       TYR  35   4.479   4.954 -23.311
  256    H    ASN  36           H        ASN  36   6.098  10.514 -17.576
  257    HA   ASN  36           HA       ASN  36   6.411  11.430 -20.195
  258   1HB   ASN  36          HB2       ASN  36   5.956  12.581 -17.453
  259   2HB   ASN  36          HB3       ASN  36   6.586  13.709 -18.592
  260   1HD2  ASN  36          2HD2      ASN  36   3.895  11.516 -17.926
  261   2HD2  ASN  36          1HD2      ASN  36   2.757  12.297 -19.036
  262    H    THR  37           H        THR  37   8.977  10.765 -17.984
  263    HA   THR  37           HA       THR  37  10.776  12.598 -19.547
  264    HB   THR  37           HB       THR  37  12.064  12.843 -17.406
  265    HG1  THR  37           HG1      THR  37   9.708  12.081 -16.087
  266   1HG2  THR  37          1HG2      THR  37  10.627  14.571 -16.456
  267   2HG2  THR  37          2HG2      THR  37  10.549  14.618 -18.224
  268   3HG2  THR  37          3HG2      THR  37   9.205  13.912 -17.299
  269    H    LYS  38           H        LYS  38  10.653   9.672 -17.553
  270    HA   LYS  38           HA       LYS  38  13.283   8.783 -18.151
  271   1HB   LYS  38          HB2       LYS  38  10.934   7.128 -17.150
  272   2HB   LYS  38          HB3       LYS  38  12.636   6.769 -16.933
  273   1HG   LYS  38          HG2       LYS  38  11.261   9.213 -15.698
  274   2HG   LYS  38          HG3       LYS  38  11.423   7.657 -14.915
  275   1HD   LYS  38          HD2       LYS  38  13.867   7.896 -14.864
  276   2HD   LYS  38          HD3       LYS  38  13.750   9.367 -15.843
  277   1HE   LYS  38          HE2       LYS  38  14.022  10.084 -13.568
  278   2HE   LYS  38          HE3       LYS  38  12.356  10.423 -14.048
  279   1HZ   LYS  38          HZ1       LYS  38  12.604   9.435 -11.810
  280   2HZ   LYS  38          HZ2       LYS  38  11.631   8.563 -12.769
  281   3HZ   LYS  38          HZ3       LYS  38  13.179   8.073 -12.497
  282    H    SER  39           H        SER  39  10.809   9.036 -20.266
  283    HA   SER  39           HA       SER  39  10.130   8.040 -22.157
  284   1HB   SER  39          HB2       SER  39  13.144   7.976 -22.523
  285   2HB   SER  39          HB3       SER  39  11.937   8.142 -23.798
  286    HG   SER  39           HG       SER  39  12.565   9.994 -21.742
  287    H    HIS  40           H        HIS  40   9.759   5.989 -20.501
  288    HA   HIS  40           HA       HIS  40  11.121   3.568 -21.300
  289   1HB   HIS  40          HB2       HIS  40   9.273   4.368 -19.290
  290   2HB   HIS  40          HB3       HIS  40   8.419   3.168 -20.244
  291    HD1  HIS  40           HD1      HIS  40  11.503   3.431 -17.960
  292    HD2  HIS  40           HD2      HIS  40   9.349   0.719 -20.300
  293    HE1  HIS  40           HE1      HIS  40  12.259   1.111 -17.205
  294    H    THR  41           H        THR  41  11.064   3.019 -23.310
  295    HA   THR  41           HA       THR  41   8.925   3.843 -25.049
  296    HB   THR  41           HB       THR  41  11.116   2.191 -26.156
  297    HG1  THR  41           HG1      THR  41  11.863   4.445 -24.645
  298   1HG2  THR  41          1HG2      THR  41   9.742   3.778 -27.486
  299   2HG2  THR  41          2HG2      THR  41  10.438   5.132 -26.587
  300   3HG2  THR  41          3HG2      THR  41  11.488   4.130 -27.602
  301    H    HIS  42           H        HIS  42   9.041   1.030 -23.155
  302    HA   HIS  42           HA       HIS  42   8.599  -0.897 -25.244
  303   1HB   HIS  42          HB2       HIS  42   8.071  -1.105 -22.300
  304   2HB   HIS  42          HB3       HIS  42   8.421  -2.403 -23.445
  305    HD2  HIS  42           HD2      HIS  42  11.147  -1.104 -24.727
  306    HE1  HIS  42           HE1      HIS  42  12.546  -1.202 -20.686
  307    HE2  HIS  42           HE2      HIS  42  13.257  -1.064 -23.161
  308    H    LYS  43           H        LYS  43   6.693  -2.505 -24.959
  309    HA   LYS  43           HA       LYS  43   4.257  -0.980 -25.267
  310   1HB   LYS  43          HB2       LYS  43   4.859  -3.025 -26.667
  311   2HB   LYS  43          HB3       LYS  43   4.454  -3.992 -25.268
  312   1HG   LYS  43          HG2       LYS  43   2.268  -2.180 -25.504
  313   2HG   LYS  43          HG3       LYS  43   2.723  -2.483 -27.170
  314   1HD   LYS  43          HD2       LYS  43   0.972  -4.009 -26.597
  315   2HD   LYS  43          HD3       LYS  43   2.465  -4.940 -26.760
  316   1HE   LYS  43          HE2       LYS  43   1.317  -5.728 -24.757
  317   2HE   LYS  43          HE3       LYS  43   2.761  -4.818 -24.266
  318   1HZ   LYS  43          HZ1       LYS  43   1.057  -4.198 -22.895
  319   2HZ   LYS  43          HZ2       LYS  43   1.262  -2.908 -23.855
  320   3HZ   LYS  43          HZ3       LYS  43  -0.039  -3.881 -24.076
  321    H    MET  44           H        MET  44   4.061  -0.060 -23.267
  322    HA   MET  44           HA       MET  44   3.487  -1.613 -20.862
  323   1HB   MET  44          HB2       MET  44   3.454   1.337 -21.770
  324   2HB   MET  44          HB3       MET  44   2.859   0.873 -20.156
  325   1HG   MET  44          HG2       MET  44   4.807   0.110 -19.393
  326   2HG   MET  44          HG3       MET  44   5.543  -0.115 -20.970
  327   1HE   MET  44          HE1       MET  44   6.200   1.161 -17.933
  328   2HE   MET  44          HE2       MET  44   6.251   2.953 -17.903
  329   3HE   MET  44          HE3       MET  44   4.704   2.100 -17.923
  330    H    VAL  45           H        VAL  45   1.425  -0.544 -19.789
  331    HA   VAL  45           HA       VAL  45  -0.999  -0.307 -21.338
  332    HB   VAL  45           HB       VAL  45  -2.075  -1.601 -19.507
  333   1HG1  VAL  45          1HG1      VAL  45  -0.146  -3.395 -21.088
  334   2HG1  VAL  45          2HG1      VAL  45  -1.768  -3.795 -20.492
  335   3HG1  VAL  45          3HG1      VAL  45  -1.585  -2.645 -21.823
  336   1HG2  VAL  45          1HG2      VAL  45   0.682  -2.624 -18.848
  337   2HG2  VAL  45          2HG2      VAL  45  -0.364  -1.592 -17.850
  338   3HG2  VAL  45          3HG2      VAL  45  -0.812  -3.288 -18.227
  339    H    LYS  46           H        LYS  46  -2.577   0.718 -19.371
  340    HA   LYS  46           HA       LYS  46  -0.991   2.355 -17.519
  341   1HB   LYS  46          HB2       LYS  46  -0.825   3.721 -19.397
  342   2HB   LYS  46          HB3       LYS  46  -2.454   3.381 -19.980
  343   1HG   LYS  46          HG2       LYS  46  -2.167   4.820 -17.328
  344   2HG   LYS  46          HG3       LYS  46  -1.772   5.679 -18.801
  345   1HD   LYS  46          HD2       LYS  46  -4.044   5.054 -19.734
  346   2HD   LYS  46          HD3       LYS  46  -4.471   4.418 -18.131
  347   1HE   LYS  46          HE2       LYS  46  -4.294   6.523 -17.103
  348   2HE   LYS  46          HE3       LYS  46  -3.362   7.224 -18.428
  349   1HZ   LYS  46          HZ1       LYS  46  -6.194   6.576 -18.440
  350   2HZ   LYS  46          HZ2       LYS  46  -5.518   8.022 -18.523
  351   3HZ   LYS  46          HZ3       LYS  46  -5.389   7.063 -19.831
  352    H    TRP  47           H        TRP  47  -2.244   2.818 -15.715
  353    HA   TRP  47           HA       TRP  47  -5.133   2.225 -15.761
  354   1HB   TRP  47          HB2       TRP  47  -3.281   0.970 -13.719
  355   2HB   TRP  47          HB3       TRP  47  -4.933   0.530 -14.094
  356    HD1  TRP  47           HD1      TRP  47  -1.449  -0.477 -14.623
  357    HE1  TRP  47           HE1      TRP  47  -1.251  -2.472 -16.171
  358    HE3  TRP  47           HE3      TRP  47  -6.112  -0.294 -16.735
  359    HZ2  TRP  47           HZ2      TRP  47  -2.917  -3.819 -18.165
  360    HZ3  TRP  47           HZ3      TRP  47  -6.725  -1.882 -18.536
  361    HH2  TRP  47           HH2      TRP  47  -5.162  -3.684 -19.218
  362    H    GLY  48           H        GLY  48  -6.018   2.762 -13.486
  363   1HA   GLY  48          HA2       GLY  48  -4.503   3.705 -11.464
  364   2HA   GLY  48          HA3       GLY  48  -4.768   5.164 -12.473
  365    H    LEU  49           H        LEU  49  -7.008   5.353 -13.306
  366    HA   LEU  49           HA       LEU  49  -9.225   5.655 -13.032
  367   1HB   LEU  49          HB2       LEU  49  -9.258   4.217 -10.398
  368   2HB   LEU  49          HB3       LEU  49 -10.588   4.560 -11.494
  369    HG   LEU  49           HG       LEU  49  -8.307   2.563 -11.916
  370   1HD1  LEU  49          1HD1      LEU  49 -11.335   2.231 -11.680
  371   2HD1  LEU  49          2HD1      LEU  49 -10.130   0.926 -11.892
  372   3HD1  LEU  49          3HD1      LEU  49 -10.143   1.897 -10.415
  373   1HD2  LEU  49          1HD2      LEU  49  -8.795   3.606 -14.105
  374   2HD2  LEU  49          2HD2      LEU  49  -9.492   1.973 -14.050
  375   3HD2  LEU  49          3HD2      LEU  49 -10.527   3.394 -13.854
  376    H    GLY  50           H        GLY  50  -6.848   7.208 -11.514
  377   1HA   GLY  50          HA2       GLY  50  -8.672   8.979  -9.944
  378   2HA   GLY  50          HA3       GLY  50  -6.998   8.641  -9.495
  379    H    LEU  51           H        LEU  51  -5.626   8.968 -11.916
  380    HA   LEU  51           HA       LEU  51  -6.273  11.671 -12.951
  381   1HB   LEU  51          HB2       LEU  51  -3.614  10.745 -11.839
  382   2HB   LEU  51          HB3       LEU  51  -3.810  12.193 -12.809
  383    HG   LEU  51           HG       LEU  51  -5.062  11.748 -10.059
  384   1HD1  LEU  51          1HD1      LEU  51  -2.702  13.453 -10.922
  385   2HD1  LEU  51          2HD1      LEU  51  -3.405  13.399  -9.278
  386   3HD1  LEU  51          3HD1      LEU  51  -2.626  11.975  -9.963
  387   1HD2  LEU  51          1HD2      LEU  51  -4.973  14.240 -11.830
  388   2HD2  LEU  51          2HD2      LEU  51  -6.427  13.312 -11.403
  389   3HD2  LEU  51          3HD2      LEU  51  -5.559  14.197 -10.138
  390    H    ASP  52           H        ASP  52  -6.959   9.292 -13.925
  391    HA   ASP  52           HA       ASP  52  -5.136   7.861 -15.464
  392   1HB   ASP  52          HB2       ASP  52  -7.570   7.383 -14.484
  393   2HB   ASP  52          HB3       ASP  52  -8.121   7.823 -16.080
  Start of MODEL    4
    1   1H    GLY   1           H1       GLY   1   4.175  -2.125  -9.812
    2   2H    GLY   1           H2       GLY   1   5.313  -3.266  -9.524
    3   3H    GLY   1           H3       GLY   1   3.926  -3.659 -10.307
    4   1HA   GLY   1          HA2       GLY   1   3.732  -4.488  -8.123
    5   2HA   GLY   1          HA3       GLY   1   4.145  -2.867  -7.495
    6    H    GLN   2           H        GLN   2   1.560  -4.557  -7.182
    7    HA   GLN   2           HA       GLN   2  -0.352  -2.445  -7.976
    8   1HB   GLN   2          HB2       GLN   2  -0.878  -5.401  -8.462
    9   2HB   GLN   2          HB3       GLN   2  -1.906  -4.056  -8.903
   10   1HG   GLN   2          HG2       GLN   2   0.108  -3.294 -10.410
   11   2HG   GLN   2          HG3       GLN   2   0.680  -4.929 -10.180
   12   1HE2  GLN   2          2HE2      GLN   2   0.403  -5.674 -12.288
   13   2HE2  GLN   2          1HE2      GLN   2  -1.203  -5.842 -13.015
   14    H    ASP   3           H        ASP   3  -2.451  -2.782  -6.972
   15    HA   ASP   3           HA       ASP   3  -2.725  -4.365  -4.537
   16   1HB   ASP   3          HB2       ASP   3  -1.423  -2.232  -3.957
   17   2HB   ASP   3          HB3       ASP   3  -2.888  -1.344  -4.417
   18    H    ARG   4           H        ARG   4  -5.065  -2.800  -3.698
   19    HA   ARG   4           HA       ARG   4  -6.974  -3.845  -5.591
   20   1HB   ARG   4          HB2       ARG   4  -7.336  -1.889  -3.273
   21   2HB   ARG   4          HB3       ARG   4  -8.640  -2.701  -4.151
   22   1HG   ARG   4          HG2       ARG   4  -8.626  -4.187  -2.558
   23   2HG   ARG   4          HG3       ARG   4  -7.227  -4.891  -3.326
   24   1HD   ARG   4          HD2       ARG   4  -6.705  -2.666  -1.342
   25   2HD   ARG   4          HD3       ARG   4  -7.384  -4.134  -0.664
   26    HE   ARG   4           HE       ARG   4  -4.720  -3.662  -1.613
   27   1HH1  ARG   4          1HH1      ARG   4  -7.036  -6.295  -1.036
   28   2HH1  ARG   4          2HH1      ARG   4  -5.804  -7.502  -0.825
   29   1HH2  ARG   4          1HH2      ARG   4  -3.187  -5.199  -1.434
   30   2HH2  ARG   4          2HH2      ARG   4  -3.491  -6.865  -1.076
   31    H    PHE   5           H        PHE   5  -5.797  -0.594  -4.874
   32    HA   PHE   5           HA       PHE   5  -6.604   0.413  -7.488
   33   1HB   PHE   5          HB2       PHE   5  -7.797   2.420  -6.396
   34   2HB   PHE   5          HB3       PHE   5  -8.670   0.909  -6.418
   35    HD1  PHE   5           HD1      PHE   5  -9.461  -0.150  -4.480
   36    HD2  PHE   5           HD2      PHE   5  -6.623   3.079  -4.118
   37    HE1  PHE   5           HE1      PHE   5  -9.779  -0.146  -2.027
   38    HE2  PHE   5           HE2      PHE   5  -6.926   3.060  -1.662
   39    HZ   PHE   5           HZ       PHE   5  -8.518   1.460  -0.611
   40    H    VAL   6           H        VAL   6  -4.174  -0.148  -5.799
   41    HA   VAL   6           HA       VAL   6  -2.869   2.479  -5.951
   42    HB   VAL   6           HB       VAL   6  -3.246   0.651  -3.576
   43   1HG1  VAL   6          1HG1      VAL   6  -1.165   1.307  -2.503
   44   2HG1  VAL   6          2HG1      VAL   6  -0.812   0.405  -3.979
   45   3HG1  VAL   6          3HG1      VAL   6  -0.645   2.186  -3.942
   46   1HG2  VAL   6          1HG2      VAL   6  -4.269   2.915  -3.771
   47   2HG2  VAL   6          2HG2      VAL   6  -3.183   2.743  -2.364
   48   3HG2  VAL   6          3HG2      VAL   6  -2.626   3.620  -3.801
   49    H    TYR   7           H        TYR   7  -0.696   2.234  -6.387
   50    HA   TYR   7           HA       TYR   7   0.350  -0.298  -7.500
   51   1HB   TYR   7          HB2       TYR   7  -0.156   2.344  -8.955
   52   2HB   TYR   7          HB3       TYR   7   0.750   1.034  -9.626
   53    HD1  TYR   7           HD1      TYR   7  -0.639  -1.306  -9.868
   54    HD2  TYR   7           HD2      TYR   7  -2.474   2.494  -8.989
   55    HE1  TYR   7           HE1      TYR   7  -2.893  -2.332 -10.109
   56    HE2  TYR   7           HE2      TYR   7  -4.691   1.443  -9.026
   57    HH   TYR   7           HH       TYR   7  -5.192  -2.034  -9.585
   58    H    THR   8           H        THR   8   2.647   0.670  -8.653
   59    HA   THR   8           HA       THR   8   3.857   2.617  -6.745
   60    HB   THR   8           HB       THR   8   5.976   1.158  -7.451
   61    HG1  THR   8           HG1      THR   8   5.042  -0.401  -8.663
   62   1HG2  THR   8          1HG2      THR   8   4.043   0.395  -5.253
   63   2HG2  THR   8          2HG2      THR   8   5.707  -0.234  -5.424
   64   3HG2  THR   8          3HG2      THR   8   5.468   1.483  -5.165
   65    H    CYS   9           H        CYS   9   5.837   3.640  -7.725
   66    HA   CYS   9           HA       CYS   9   5.760   3.843 -10.713
   67   1HB   CYS   9          HB2       CYS   9   5.519   6.131  -9.745
   68   2HB   CYS   9          HB3       CYS   9   6.859   5.833  -8.645
   69    H    ASN  10           H        ASN  10   7.333   2.167 -11.160
   70    HA   ASN  10           HA       ASN  10   9.158   1.424  -9.109
   71   1HB   ASN  10          HB2       ASN  10   8.280  -0.144 -10.922
   72   2HB   ASN  10          HB3       ASN  10   9.473   0.616 -12.000
   73   1HD2  ASN  10          2HD2      ASN  10  11.042  -0.958 -12.176
   74   2HD2  ASN  10          1HD2      ASN  10  11.852  -1.731 -10.796
   75    H    GLU  11           H        GLU  11   9.226   4.221 -10.793
   76    HA   GLU  11           HA       GLU  11  12.157   4.233 -10.797
   77   1HB   GLU  11          HB2       GLU  11  10.223   5.657 -12.441
   78   2HB   GLU  11          HB3       GLU  11  11.368   6.720 -11.665
   79   1HG   GLU  11          HG2       GLU  11  12.207   4.155 -13.126
   80   2HG   GLU  11          HG3       GLU  11  12.220   5.751 -13.896
   81    H    CYS  12           H        CYS  12   9.374   5.396  -9.033
   82    HA   CYS  12           HA       CYS  12  11.153   7.126  -7.386
   83   1HB   CYS  12          HB2       CYS  12   8.157   6.735  -7.226
   84   2HB   CYS  12          HB3       CYS  12   9.134   7.927  -6.346
   85    H    LYS  13           H        LYS  13   9.597   4.093  -7.555
   86    HA   LYS  13           HA       LYS  13   9.071   2.377  -6.182
   87   1HB   LYS  13          HB2       LYS  13  11.850   3.058  -5.110
   88   2HB   LYS  13          HB3       LYS  13  10.901   1.699  -4.538
   89   1HG   LYS  13          HG2       LYS  13  11.605   0.447  -6.215
   90   2HG   LYS  13          HG3       LYS  13  10.637   1.406  -7.285
   91   1HD   LYS  13          HD2       LYS  13  13.603   1.625  -6.725
   92   2HD   LYS  13          HD3       LYS  13  12.740   1.192  -8.238
   93   1HE   LYS  13          HE2       LYS  13  11.768   3.568  -8.115
   94   2HE   LYS  13          HE3       LYS  13  13.044   3.940  -6.950
   95   1HZ   LYS  13          HZ1       LYS  13  13.664   4.506  -9.203
   96   2HZ   LYS  13          HZ2       LYS  13  14.644   3.274  -8.747
   97   3HZ   LYS  13          HZ3       LYS  13  13.344   3.027  -9.734
   98    H    HIS  14           H        HIS  14   7.706   4.546  -5.794
   99    HA   HIS  14           HA       HIS  14   6.917   4.210  -2.988
  100   1HB   HIS  14          HB2       HIS  14   6.435   6.475  -2.683
  101   2HB   HIS  14          HB3       HIS  14   8.086   6.398  -3.270
  102    HD2  HIS  14           HD2      HIS  14   7.947   8.959  -3.990
  103    HE1  HIS  14           HE1      HIS  14   5.521   8.344  -7.416
  104    HE2  HIS  14           HE2      HIS  14   7.062   9.965  -6.275
  105    H    HIS  15           H        HIS  15   4.601   4.912  -2.823
  106    HA   HIS  15           HA       HIS  15   3.146   3.355  -4.797
  107   1HB   HIS  15          HB2       HIS  15   2.352   4.659  -2.152
  108   2HB   HIS  15          HB3       HIS  15   1.161   3.982  -3.226
  109    HD2  HIS  15           HD2      HIS  15   1.441   1.316  -3.884
  110    HE1  HIS  15           HE1      HIS  15   3.549   0.324  -0.318
  111    HE2  HIS  15           HE2      HIS  15   2.284  -0.632  -2.306
  112    H    VAL  16           H        VAL  16   1.401   4.002  -5.968
  113    HA   VAL  16           HA       VAL  16   0.762   6.854  -6.344
  114    HB   VAL  16           HB       VAL  16   1.200   6.776  -8.714
  115   1HG1  VAL  16          1HG1      VAL  16   3.555   6.351  -8.920
  116   2HG1  VAL  16          2HG1      VAL  16   3.212   7.220  -7.378
  117   3HG1  VAL  16          3HG1      VAL  16   3.649   5.506  -7.408
  118   1HG2  VAL  16          1HG2      VAL  16   0.476   4.549  -9.357
  119   2HG2  VAL  16          2HG2      VAL  16   2.147   4.796  -9.861
  120   3HG2  VAL  16          3HG2      VAL  16   1.771   3.793  -8.442
  121    H    GLU  17           H        GLU  17  -1.376   7.028  -7.569
  122    HA   GLU  17           HA       GLU  17  -3.106   4.629  -7.061
  123   1HB   GLU  17          HB2       GLU  17  -4.913   6.438  -7.544
  124   2HB   GLU  17          HB3       GLU  17  -4.136   6.321  -5.960
  125   1HG   GLU  17          HG2       GLU  17  -4.460   8.648  -6.699
  126   2HG   GLU  17          HG3       GLU  17  -2.744   8.256  -6.418
  127    H    THR  18           H        THR  18  -1.670   6.570  -9.547
  128    HA   THR  18           HA       THR  18  -3.005   4.904 -11.629
  129    HB   THR  18           HB       THR  18  -2.526   7.932 -11.578
  130    HG1  THR  18           HG1      THR  18  -4.300   7.667 -10.571
  131   1HG2  THR  18          1HG2      THR  18  -4.177   7.454 -13.715
  132   2HG2  THR  18          2HG2      THR  18  -2.411   7.712 -13.852
  133   3HG2  THR  18          3HG2      THR  18  -3.088   6.080 -13.881
  134    H    ARG  19           H        ARG  19  -1.520   4.102 -13.151
  135    HA   ARG  19           HA       ARG  19   1.180   5.319 -13.279
  136   1HB   ARG  19          HB2       ARG  19   2.353   3.209 -12.894
  137   2HB   ARG  19          HB3       ARG  19   1.336   3.498 -11.490
  138   1HG   ARG  19          HG2       ARG  19  -0.318   1.904 -12.252
  139   2HG   ARG  19          HG3       ARG  19   0.496   1.705 -13.821
  140   1HD   ARG  19          HD2       ARG  19   2.235   0.465 -12.975
  141   2HD   ARG  19          HD3       ARG  19   1.859   0.833 -11.302
  142    HE   ARG  19           HE       ARG  19  -0.452  -0.282 -12.033
  143   1HH1  ARG  19          1HH2      ARG  19   2.776  -1.671 -12.076
  144   2HH1  ARG  19          2HH2      ARG  19   2.292  -3.172 -12.780
  145   1HH2  ARG  19          1HH1      ARG  19  -1.093  -2.351 -13.009
  146   2HH2  ARG  19          2HH1      ARG  19   0.151  -3.499 -13.354
  147    H    TRP  20           H        TRP  20   2.498   4.249 -14.883
  148    HA   TRP  20           HA       TRP  20   1.151   3.201 -17.320
  149   1HB   TRP  20          HB2       TRP  20   3.799   4.548 -16.782
  150   2HB   TRP  20          HB3       TRP  20   3.250   3.972 -18.391
  151    HD1  TRP  20           HD1      TRP  20   2.670   6.756 -15.871
  152    HE1  TRP  20           HE1      TRP  20   1.057   8.504 -16.798
  153    HE3  TRP  20           HE3      TRP  20   1.526   4.516 -20.294
  154    HZ2  TRP  20           HZ2      TRP  20  -0.610   8.854 -19.093
  155    HZ3  TRP  20           HZ3      TRP  20  -0.107   5.560 -21.847
  156    HH2  TRP  20           HH2      TRP  20  -1.211   7.728 -21.271
  157    H    HIS  21           H        HIS  21   1.849   1.053 -17.757
  158    HA   HIS  21           HA       HIS  21   3.742  -0.157 -15.794
  159   1HB   HIS  21          HB2       HIS  21   1.767  -0.680 -14.795
  160   2HB   HIS  21          HB3       HIS  21   0.837  -0.691 -16.257
  161    HD2  HIS  21           HD2      HIS  21   3.893  -3.001 -16.071
  162    HE1  HIS  21           HE1      HIS  21   0.454  -5.486 -15.864
  163    HE2  HIS  21           HE2      HIS  21   2.993  -5.463 -16.080
  164    H    CYS  22           H        CYS  22   5.251  -1.243 -16.778
  165    HA   CYS  22           HA       CYS  22   5.346  -1.787 -19.608
  166   1HB   CYS  22          HB2       CYS  22   7.058  -1.786 -17.202
  167   2HB   CYS  22          HB3       CYS  22   7.362  -3.173 -18.251
  168    H    THR  23           H        THR  23   4.523  -3.445 -20.615
  169    HA   THR  23           HA       THR  23   3.929  -5.949 -19.104
  170    HB   THR  23           HB       THR  23   2.322  -6.478 -21.000
  171    HG1  THR  23           HG1      THR  23   3.405  -4.240 -21.973
  172   1HG2  THR  23          1HG2      THR  23   1.949  -3.882 -19.523
  173   2HG2  THR  23          2HG2      THR  23   0.635  -4.986 -20.081
  174   3HG2  THR  23          3HG2      THR  23   1.720  -5.480 -18.768
  175    H    VAL  24           H        VAL  24   6.406  -5.002 -20.178
  176    HA   VAL  24           HA       VAL  24   7.507  -7.152 -21.855
  177    HB   VAL  24           HB       VAL  24   7.530  -4.943 -22.763
  178   1HG1  VAL  24          1HG1      VAL  24   7.125  -3.157 -21.663
  179   2HG1  VAL  24          2HG1      VAL  24   7.492  -3.848 -20.135
  180   3HG1  VAL  24          3HG1      VAL  24   8.822  -3.169 -21.046
  181   1HG2  VAL  24          1HG2      VAL  24  10.223  -5.187 -21.369
  182   2HG2  VAL  24          2HG2      VAL  24   9.774  -6.123 -22.804
  183   3HG2  VAL  24          3HG2      VAL  24   9.907  -4.338 -22.891
  184    H    CYS  25           H        CYS  25   8.569  -4.802 -19.391
  185    HA   CYS  25           HA       CYS  25  10.271  -6.560 -17.932
  186   1HB   CYS  25          HB2       CYS  25   8.903  -4.052 -16.941
  187   2HB   CYS  25          HB3       CYS  25  10.477  -4.696 -16.422
  188    H    GLU  26           H        GLU  26   9.719  -7.484 -15.755
  189    HA   GLU  26           HA       GLU  26   6.976  -8.327 -15.574
  190   1HB   GLU  26          HB2       GLU  26   9.465  -8.839 -13.957
  191   2HB   GLU  26          HB3       GLU  26   7.854  -9.240 -13.307
  192   1HG   GLU  26          HG2       GLU  26   7.319 -10.537 -15.289
  193   2HG   GLU  26          HG3       GLU  26   8.905 -10.179 -16.002
  194    H    ASP  27           H        ASP  27   5.606  -6.908 -15.208
  195    HA   ASP  27           HA       ASP  27   4.360  -5.209 -14.399
  196   1HB   ASP  27          HB2       ASP  27   3.889  -7.214 -12.981
  197   2HB   ASP  27          HB3       ASP  27   4.940  -6.549 -11.746
  198    H    TYR  28           H        TYR  28   6.916  -4.338 -14.830
  199    HA   TYR  28           HA       TYR  28   7.840  -2.524 -12.776
  200   1HB   TYR  28          HB2       TYR  28   9.272  -3.408 -14.586
  201   2HB   TYR  28          HB3       TYR  28   8.269  -2.576 -15.761
  202    HD1  TYR  28           HD1      TYR  28  11.249  -2.358 -13.879
  203    HD2  TYR  28           HD2      TYR  28   8.170   0.001 -15.701
  204    HE1  TYR  28           HE1      TYR  28  12.745  -0.373 -13.805
  205    HE2  TYR  28           HE2      TYR  28   9.651   1.980 -15.696
  206    HH   TYR  28           HH       TYR  28  12.994   1.871 -14.381
  207    H    ASP  29           H        ASP  29   7.416  -0.271 -12.676
  208    HA   ASP  29           HA       ASP  29   4.954   0.642 -14.137
  209   1HB   ASP  29          HB2       ASP  29   5.492   1.686 -11.399
  210   2HB   ASP  29          HB3       ASP  29   3.996   1.357 -12.193
  211    H    LEU  30           H        LEU  30   4.658   2.993 -14.064
  212    HA   LEU  30           HA       LEU  30   6.814   4.655 -13.031
  213   1HB   LEU  30          HB2       LEU  30   5.839   4.670 -15.916
  214   2HB   LEU  30          HB3       LEU  30   6.642   6.019 -15.149
  215    HG   LEU  30           HG       LEU  30   7.805   3.247 -15.679
  216   1HD1  LEU  30          1HD1      LEU  30   7.671   4.779 -17.636
  217   2HD1  LEU  30          2HD1      LEU  30   8.637   5.976 -16.745
  218   3HD1  LEU  30          3HD1      LEU  30   9.351   4.407 -17.156
  219   1HD2  LEU  30          1HD2      LEU  30   9.959   4.080 -14.813
  220   2HD2  LEU  30          2HD2      LEU  30   9.195   5.660 -14.446
  221   3HD2  LEU  30          3HD2      LEU  30   8.768   4.218 -13.527
  222    H    CYS  31           H        CYS  31   5.873   6.444 -12.024
  223    HA   CYS  31           HA       CYS  31   3.065   6.950 -12.235
  224   1HB   CYS  31          HB2       CYS  31   3.577   9.022 -11.036
  225   2HB   CYS  31          HB3       CYS  31   4.347   7.703 -10.217
  226    H    ILE  32           H        ILE  32   2.304   9.103 -12.988
  227    HA   ILE  32           HA       ILE  32   2.614   9.324 -15.716
  228    HB   ILE  32           HB       ILE  32   1.777  11.581 -13.831
  229   1HG1  ILE  32          2HG1      ILE  32   0.364   9.660 -13.234
  230   2HG1  ILE  32          3HG1      ILE  32  -0.534  10.896 -14.057
  231   1HG2  ILE  32          1HG2      ILE  32   0.334  12.181 -15.868
  232   2HG2  ILE  32          2HG2      ILE  32   2.088  12.422 -16.023
  233   3HG2  ILE  32          3HG2      ILE  32   1.314  11.007 -16.760
  234   1HD1  ILE  32          1HD1      ILE  32   0.222   8.161 -15.060
  235   2HD1  ILE  32          2HD1      ILE  32  -1.364   8.998 -15.050
  236   3HD1  ILE  32          3HD1      ILE  32  -0.204   9.463 -16.231
  237    H    ASN  33           H        ASN  33   4.329  11.225 -13.221
  238    HA   ASN  33           HA       ASN  33   5.657  12.987 -15.083
  239   1HB   ASN  33          HB2       ASN  33   5.483  13.692 -12.767
  240   2HB   ASN  33          HB3       ASN  33   6.100  12.167 -12.170
  241   1HD2  ASN  33          2HD2      ASN  33   8.409  11.762 -12.134
  242   2HD2  ASN  33          1HD2      ASN  33   9.504  13.107 -12.362
  243    H    CYS  34           H        CYS  34   6.716   9.944 -13.515
  244    HA   CYS  34           HA       CYS  34   9.311  10.098 -14.718
  245   1HB   CYS  34          HB2       CYS  34   7.731   7.874 -13.357
  246   2HB   CYS  34          HB3       CYS  34   9.292   7.611 -14.169
  247    H    TYR  35           H        TYR  35   6.260   8.471 -15.702
  248    HA   TYR  35           HA       TYR  35   7.329   7.179 -17.983
  249   1HB   TYR  35          HB2       TYR  35   5.129   6.680 -17.239
  250   2HB   TYR  35          HB3       TYR  35   4.612   8.352 -17.401
  251    HD1  TYR  35           HD1      TYR  35   5.767   5.381 -19.386
  252    HD2  TYR  35           HD2      TYR  35   3.683   9.139 -19.455
  253    HE1  TYR  35           HE1      TYR  35   5.058   4.928 -21.731
  254    HE2  TYR  35           HE2      TYR  35   3.026   8.744 -21.791
  255    HH   TYR  35           HH       TYR  35   3.182   7.313 -23.615
  256    H    ASN  36           H        ASN  36   6.089  10.490 -17.557
  257    HA   ASN  36           HA       ASN  36   6.374  11.438 -20.169
  258   1HB   ASN  36          HB2       ASN  36   5.906  12.582 -17.452
  259   2HB   ASN  36          HB3       ASN  36   6.608  13.699 -18.556
  260   1HD2  ASN  36          2HD2      ASN  36   3.809  11.724 -17.898
  261   2HD2  ASN  36          1HD2      ASN  36   2.740  12.486 -19.083
  262    H    THR  37           H        THR  37   8.969  10.750 -17.941
  263    HA   THR  37           HA       THR  37  10.742  12.541 -19.566
  264    HB   THR  37           HB       THR  37  12.075  12.730 -17.429
  265    HG1  THR  37           HG1      THR  37   9.675  12.072 -16.136
  266   1HG2  THR  37          1HG2      THR  37  10.760  14.536 -16.472
  267   2HG2  THR  37          2HG2      THR  37  10.692  14.599 -18.224
  268   3HG2  THR  37          3HG2      THR  37   9.296  13.976 -17.327
  269    H    LYS  38           H        LYS  38  10.647   9.604 -17.558
  270    HA   LYS  38           HA       LYS  38  13.268   8.704 -18.223
  271   1HB   LYS  38          HB2       LYS  38  10.915   7.033 -17.261
  272   2HB   LYS  38          HB3       LYS  38  12.621   6.650 -17.068
  273   1HG   LYS  38          HG2       LYS  38  11.247   9.061 -15.779
  274   2HG   LYS  38          HG3       LYS  38  11.484   7.512 -14.981
  275   1HD   LYS  38          HD2       LYS  38  13.911   7.840 -15.001
  276   2HD   LYS  38          HD3       LYS  38  13.735   9.279 -16.000
  277   1HE   LYS  38          HE2       LYS  38  14.075   9.979 -13.717
  278   2HE   LYS  38          HE3       LYS  38  12.411  10.379 -14.188
  279   1HZ   LYS  38          HZ1       LYS  38  12.658   9.374 -11.951
  280   2HZ   LYS  38          HZ2       LYS  38  11.664   8.519 -12.904
  281   3HZ   LYS  38          HZ3       LYS  38  13.200   7.995 -12.648
  282    H    SER  39           H        SER  39  10.655   8.909 -20.283
  283    HA   SER  39           HA       SER  39  10.113   8.003 -22.266
  284   1HB   SER  39          HB2       SER  39  13.133   7.970 -22.509
  285   2HB   SER  39          HB3       SER  39  11.960   8.090 -23.839
  286    HG   SER  39           HG       SER  39  12.428   9.981 -21.763
  287    H    HIS  40           H        HIS  40   9.805   5.937 -20.523
  288    HA   HIS  40           HA       HIS  40  11.168   3.517 -21.333
  289   1HB   HIS  40          HB2       HIS  40   9.282   4.335 -19.341
  290   2HB   HIS  40          HB3       HIS  40   8.479   3.083 -20.293
  291    HD1  HIS  40           HD1      HIS  40  11.451   3.446 -17.894
  292    HD2  HIS  40           HD2      HIS  40   9.506   0.650 -20.310
  293    HE1  HIS  40           HE1      HIS  40  12.330   1.149 -17.168
  294    H    THR  41           H        THR  41  11.055   2.855 -23.334
  295    HA   THR  41           HA       THR  41   8.883   3.719 -25.025
  296    HB   THR  41           HB       THR  41  11.120   2.155 -26.196
  297    HG1  THR  41           HG1      THR  41  11.785   4.430 -24.669
  298   1HG2  THR  41          1HG2      THR  41  10.272   5.061 -26.595
  299   2HG2  THR  41          2HG2      THR  41  11.397   4.123 -27.613
  300   3HG2  THR  41          3HG2      THR  41   9.686   3.676 -27.534
  301    H    HIS  42           H        HIS  42   9.154   0.948 -23.126
  302    HA   HIS  42           HA       HIS  42   8.777  -1.014 -25.185
  303   1HB   HIS  42          HB2       HIS  42   8.265  -1.241 -22.217
  304   2HB   HIS  42          HB3       HIS  42   8.649  -2.531 -23.374
  305    HD2  HIS  42           HD2      HIS  42  11.322  -1.066 -24.663
  306    HE1  HIS  42           HE1      HIS  42  12.738  -1.044 -20.642
  307    HE2  HIS  42           HE2      HIS  42  13.411  -0.772 -23.087
  308    H    LYS  43           H        LYS  43   6.816  -2.605 -24.962
  309    HA   LYS  43           HA       LYS  43   4.481  -0.970 -25.291
  310   1HB   LYS  43          HB2       LYS  43   5.178  -3.137 -26.525
  311   2HB   LYS  43          HB3       LYS  43   4.433  -3.998 -25.193
  312   1HG   LYS  43          HG2       LYS  43   3.179  -1.833 -26.951
  313   2HG   LYS  43          HG3       LYS  43   2.950  -3.564 -27.202
  314   1HD   LYS  43          HD2       LYS  43   1.858  -1.805 -25.009
  315   2HD   LYS  43          HD3       LYS  43   0.964  -2.670 -26.267
  316   1HE   LYS  43          HE2       LYS  43   1.470  -4.841 -25.269
  317   2HE   LYS  43          HE3       LYS  43   2.593  -4.108 -24.130
  318   1HZ   LYS  43          HZ1       LYS  43   0.839  -4.270 -22.848
  319   2HZ   LYS  43          HZ2       LYS  43   0.616  -2.774 -23.390
  320   3HZ   LYS  43          HZ3       LYS  43  -0.311  -3.989 -24.028
  321    H    MET  44           H        MET  44   3.494  -0.135 -23.642
  322    HA   MET  44           HA       MET  44   3.334  -1.472 -20.976
  323   1HB   MET  44          HB2       MET  44   3.464   1.407 -21.972
  324   2HB   MET  44          HB3       MET  44   2.809   1.009 -20.363
  325   1HG   MET  44          HG2       MET  44   4.684   0.184 -19.540
  326   2HG   MET  44          HG3       MET  44   5.509  -0.026 -21.084
  327   1HE   MET  44          HE1       MET  44   6.097   1.219 -18.028
  328   2HE   MET  44          HE2       MET  44   6.132   3.004 -17.956
  329   3HE   MET  44          HE3       MET  44   4.582   2.164 -18.017
  330    H    VAL  45           H        VAL  45   1.376  -0.432 -19.816
  331    HA   VAL  45           HA       VAL  45  -1.119  -0.169 -21.260
  332    HB   VAL  45           HB       VAL  45  -2.097  -1.473 -19.338
  333   1HG1  VAL  45          1HG1      VAL  45  -1.800  -3.677 -20.344
  334   2HG1  VAL  45          2HG1      VAL  45  -1.833  -2.498 -21.662
  335   3HG1  VAL  45          3HG1      VAL  45  -0.284  -3.214 -21.093
  336   1HG2  VAL  45          1HG2      VAL  45  -0.664  -3.175 -18.199
  337   2HG2  VAL  45          2HG2      VAL  45   0.741  -2.387 -18.879
  338   3HG2  VAL  45          3HG2      VAL  45  -0.297  -1.470 -17.811
  339    H    LYS  46           H        LYS  46  -2.629   0.800 -19.236
  340    HA   LYS  46           HA       LYS  46  -1.061   2.391 -17.369
  341   1HB   LYS  46          HB2       LYS  46  -1.224   3.674 -19.539
  342   2HB   LYS  46          HB3       LYS  46  -2.955   3.683 -19.390
  343   1HG   LYS  46          HG2       LYS  46  -1.097   4.932 -17.298
  344   2HG   LYS  46          HG3       LYS  46  -1.722   5.796 -18.678
  345   1HD   LYS  46          HD2       LYS  46  -4.105   5.261 -17.760
  346   2HD   LYS  46          HD3       LYS  46  -3.256   4.759 -16.293
  347   1HE   LYS  46          HE2       LYS  46  -3.814   7.014 -15.960
  348   2HE   LYS  46          HE3       LYS  46  -2.078   6.997 -16.277
  349   1HZ   LYS  46          HZ1       LYS  46  -3.218   8.730 -17.438
  350   2HZ   LYS  46          HZ2       LYS  46  -2.614   7.707 -18.586
  351   3HZ   LYS  46          HZ3       LYS  46  -4.227   7.760 -18.121
  352    H    TRP  47           H        TRP  47  -2.274   2.532 -15.539
  353    HA   TRP  47           HA       TRP  47  -5.126   1.731 -15.646
  354   1HB   TRP  47          HB2       TRP  47  -3.162   0.902 -13.469
  355   2HB   TRP  47          HB3       TRP  47  -4.802   0.336 -13.684
  356    HD1  TRP  47           HD1      TRP  47  -1.304  -0.454 -14.521
  357    HE1  TRP  47           HE1      TRP  47  -1.092  -2.461 -16.076
  358    HE3  TRP  47           HE3      TRP  47  -6.131  -0.662 -16.149
  359    HZ2  TRP  47           HZ2      TRP  47  -2.762  -3.798 -18.056
  360    HZ3  TRP  47           HZ3      TRP  47  -6.731  -2.179 -18.031
  361    HH2  TRP  47           HH2      TRP  47  -5.071  -3.770 -18.950
  362    H    GLY  48           H        GLY  48  -6.227   3.441 -14.858
  363   1HA   GLY  48          HA2       GLY  48  -4.828   5.226 -12.935
  364   2HA   GLY  48          HA3       GLY  48  -5.657   5.851 -14.385
  365    H    LEU  49           H        LEU  49  -5.986   6.090 -11.437
  366    HA   LEU  49           HA       LEU  49  -8.881   5.602 -11.298
  367   1HB   LEU  49          HB2       LEU  49  -6.855   4.543  -9.300
  368   2HB   LEU  49          HB3       LEU  49  -8.549   4.688  -8.920
  369    HG   LEU  49           HG       LEU  49  -7.463   2.988 -11.212
  370   1HD1  LEU  49          1HD1      LEU  49  -6.861   2.195  -9.004
  371   2HD1  LEU  49          2HD1      LEU  49  -8.579   2.218  -8.519
  372   3HD1  LEU  49          3HD1      LEU  49  -8.040   1.106  -9.792
  373   1HD2  LEU  49          1HD2      LEU  49  -9.800   3.673 -11.727
  374   2HD2  LEU  49          2HD2      LEU  49  -9.758   1.995 -11.234
  375   3HD2  LEU  49          3HD2      LEU  49 -10.308   3.226 -10.085
  376    H    GLY  50           H        GLY  50  -6.527   7.963 -11.075
  377   1HA   GLY  50          HA2       GLY  50  -8.341   9.608  -9.443
  378   2HA   GLY  50          HA3       GLY  50  -6.754   9.287  -8.741
  379    H    LEU  51           H        LEU  51  -5.016   9.486 -10.830
  380    HA   LEU  51           HA       LEU  51  -5.428  12.197 -12.028
  381   1HB   LEU  51          HB2       LEU  51  -2.932  11.044 -10.715
  382   2HB   LEU  51          HB3       LEU  51  -3.014  12.603 -11.527
  383    HG   LEU  51           HG       LEU  51  -4.594  11.945  -9.010
  384   1HD1  LEU  51          1HD1      LEU  51  -1.967  13.447  -9.328
  385   2HD1  LEU  51          2HD1      LEU  51  -2.935  13.387  -7.855
  386   3HD1  LEU  51          3HD1      LEU  51  -2.214  11.884  -8.517
  387   1HD2  LEU  51          1HD2      LEU  51  -4.059  14.595 -10.421
  388   2HD2  LEU  51          2HD2      LEU  51  -5.633  13.767 -10.271
  389   3HD2  LEU  51          3HD2      LEU  51  -4.871  14.419  -8.841
  390    H    ASP  52           H        ASP  52  -6.231  10.890 -13.820
  391    HA   ASP  52           HA       ASP  52  -4.449   8.991 -15.101
  392   1HB   ASP  52          HB2       ASP  52  -7.055   9.040 -15.161
  393   2HB   ASP  52          HB3       ASP  52  -6.866  10.248 -16.446
  Start of MODEL    5
    1   1H    GLY   1           H1       GLY   1   3.866  -3.653 -10.396
    2   2H    GLY   1           H2       GLY   1   4.023  -2.121  -9.853
    3   3H    GLY   1           H3       GLY   1   5.134  -3.241  -9.410
    4   1HA   GLY   1          HA2       GLY   1   3.336  -4.473  -8.239
    5   2HA   GLY   1          HA3       GLY   1   3.722  -2.855  -7.591
    6    H    GLN   2           H        GLN   2   1.061  -4.489  -7.591
    7    HA   GLN   2           HA       GLN   2  -0.624  -2.240  -8.371
    8   1HB   GLN   2          HB2       GLN   2  -2.141  -3.858  -9.692
    9   2HB   GLN   2          HB3       GLN   2  -0.718  -3.175 -10.472
   10   1HG   GLN   2          HG2       GLN   2   0.520  -5.283 -10.176
   11   2HG   GLN   2          HG3       GLN   2  -0.883  -6.000  -9.374
   12   1HE2  GLN   2          2HE2      GLN   2   0.648  -5.724 -12.424
   13   2HE2  GLN   2          1HE2      GLN   2  -0.756  -6.157 -13.384
   14    H    ASP   3           H        ASP   3  -2.678  -2.253  -7.628
   15    HA   ASP   3           HA       ASP   3  -3.661  -4.150  -5.637
   16   1HB   ASP   3          HB2       ASP   3  -2.103  -2.413  -4.545
   17   2HB   ASP   3          HB3       ASP   3  -3.237  -1.186  -5.139
   18    H    ARG   4           H        ARG   4  -5.906  -3.046  -4.946
   19    HA   ARG   4           HA       ARG   4  -7.601  -2.997  -7.159
   20   1HB   ARG   4          HB2       ARG   4  -9.387  -2.327  -5.662
   21   2HB   ARG   4          HB3       ARG   4  -8.402  -3.582  -4.967
   22   1HG   ARG   4          HG2       ARG   4  -7.491  -0.880  -4.171
   23   2HG   ARG   4          HG3       ARG   4  -9.186  -1.149  -3.782
   24   1HD   ARG   4          HD2       ARG   4  -8.667  -2.461  -2.001
   25   2HD   ARG   4          HD3       ARG   4  -7.497  -3.396  -2.940
   26    HE   ARG   4           HE       ARG   4  -5.799  -2.063  -2.403
   27   1HH1  ARG   4          1HH1      ARG   4  -8.649  -0.770  -0.785
   28   2HH1  ARG   4          2HH1      ARG   4  -7.747   0.323   0.226
   29   1HH2  ARG   4          1HH2      ARG   4  -4.698  -0.600  -1.344
   30   2HH2  ARG   4          2HH2      ARG   4  -5.320   0.480  -0.129
   31    H    PHE   5           H        PHE   5  -6.058  -0.170  -5.716
   32    HA   PHE   5           HA       PHE   5  -6.594   1.419  -8.063
   33   1HB   PHE   5          HB2       PHE   5  -7.735   3.283  -6.796
   34   2HB   PHE   5          HB3       PHE   5  -8.727   1.884  -7.087
   35    HD1  PHE   5           HD1      PHE   5  -9.965   0.958  -5.296
   36    HD2  PHE   5           HD2      PHE   5  -6.648   3.566  -4.397
   37    HE1  PHE   5           HE1      PHE   5 -10.644   1.013  -2.923
   38    HE2  PHE   5           HE2      PHE   5  -7.267   3.543  -2.034
   39    HZ   PHE   5           HZ       PHE   5  -9.276   2.301  -1.263
   40    H    VAL   6           H        VAL   6  -4.385   0.287  -6.513
   41    HA   VAL   6           HA       VAL   6  -2.797   2.712  -6.058
   42    HB   VAL   6           HB       VAL   6  -3.688   0.726  -3.994
   43   1HG1  VAL   6          1HG1      VAL   6  -0.792   1.672  -3.999
   44   2HG1  VAL   6          2HG1      VAL   6  -1.657   0.865  -2.658
   45   3HG1  VAL   6          3HG1      VAL   6  -1.394  -0.004  -4.161
   46   1HG2  VAL   6          1HG2      VAL   6  -3.241   2.699  -2.539
   47   2HG2  VAL   6          2HG2      VAL   6  -2.763   3.604  -3.999
   48   3HG2  VAL   6          3HG2      VAL   6  -4.402   2.983  -3.865
   49    H    TYR   7           H        TYR   7  -0.652   2.328  -6.382
   50    HA   TYR   7           HA       TYR   7   0.298  -0.148  -7.614
   51   1HB   TYR   7          HB2       TYR   7  -0.014   2.580  -8.978
   52   2HB   TYR   7          HB3       TYR   7   0.811   1.214  -9.691
   53    HD1  TYR   7           HD1      TYR   7  -0.759  -0.947 -10.049
   54    HD2  TYR   7           HD2      TYR   7  -2.261   2.962  -9.097
   55    HE1  TYR   7           HE1      TYR   7  -3.079  -1.712 -10.596
   56    HE2  TYR   7           HE2      TYR   7  -4.552   2.194  -9.476
   57    HH   TYR   7           HH       TYR   7  -5.347  -1.181 -10.167
   58    H    THR   8           H        THR   8   2.553   0.896  -8.727
   59    HA   THR   8           HA       THR   8   3.798   2.705  -6.753
   60    HB   THR   8           HB       THR   8   5.901   1.118  -7.473
   61    HG1  THR   8           HG1      THR   8   4.956  -0.449  -8.555
   62   1HG2  THR   8          1HG2      THR   8   5.514  -0.204  -5.356
   63   2HG2  THR   8          2HG2      THR   8   5.487   1.544  -5.184
   64   3HG2  THR   8          3HG2      THR   8   3.940   0.645  -5.214
   65    H    CYS   9           H        CYS   9   5.902   3.570  -7.772
   66    HA   CYS   9           HA       CYS   9   5.810   3.758 -10.739
   67   1HB   CYS   9          HB2       CYS   9   5.546   6.090  -9.798
   68   2HB   CYS   9          HB3       CYS   9   6.883   5.820  -8.692
   69    H    ASN  10           H        ASN  10   7.403   2.163 -11.162
   70    HA   ASN  10           HA       ASN  10   9.232   1.342  -9.121
   71   1HB   ASN  10          HB2       ASN  10   8.284  -0.145 -10.896
   72   2HB   ASN  10          HB3       ASN  10   9.392   0.631 -12.041
   73   1HD2  ASN  10          2HD2      ASN  10  11.037  -0.952 -12.319
   74   2HD2  ASN  10          1HD2      ASN  10  11.902  -1.690 -10.989
   75    H    GLU  11           H        GLU  11   9.228   4.189 -10.817
   76    HA   GLU  11           HA       GLU  11  12.150   4.247 -10.827
   77   1HB   GLU  11          HB2       GLU  11  10.197   5.714 -12.403
   78   2HB   GLU  11          HB3       GLU  11  11.358   6.763 -11.627
   79   1HG   GLU  11          HG2       GLU  11  12.190   4.273 -13.190
   80   2HG   GLU  11          HG3       GLU  11  12.162   5.891 -13.878
   81    H    CYS  12           H        CYS  12   9.361   5.344  -9.036
   82    HA   CYS  12           HA       CYS  12  11.101   7.071  -7.332
   83   1HB   CYS  12          HB2       CYS  12   8.088   6.614  -7.129
   84   2HB   CYS  12          HB3       CYS  12   9.060   7.836  -6.289
   85    H    LYS  13           H        LYS  13   9.519   4.007  -7.512
   86    HA   LYS  13           HA       LYS  13   9.097   2.267  -6.170
   87   1HB   LYS  13          HB2       LYS  13  11.875   2.989  -5.118
   88   2HB   LYS  13          HB3       LYS  13  10.954   1.596  -4.546
   89   1HG   LYS  13          HG2       LYS  13  11.730   0.392  -6.244
   90   2HG   LYS  13          HG3       LYS  13  10.708   1.338  -7.304
   91   1HD   LYS  13          HD2       LYS  13  13.690   1.646  -6.805
   92   2HD   LYS  13          HD3       LYS  13  12.800   1.228  -8.268
   93   1HE   LYS  13          HE2       LYS  13  11.783   3.572  -8.132
   94   2HE   LYS  13          HE3       LYS  13  13.065   3.976  -6.982
   95   1HZ   LYS  13          HZ1       LYS  13  13.376   3.067  -9.778
   96   2HZ   LYS  13          HZ2       LYS  13  13.639   4.548  -9.238
   97   3HZ   LYS  13          HZ3       LYS  13  14.669   3.364  -8.776
   98    H    HIS  14           H        HIS  14   7.779   4.385  -5.809
   99    HA   HIS  14           HA       HIS  14   6.933   4.191  -3.005
  100   1HB   HIS  14          HB2       HIS  14   7.260   6.720  -4.710
  101   2HB   HIS  14          HB3       HIS  14   6.139   6.641  -3.335
  102    HD2  HIS  14           HD2      HIS  14   9.548   7.652  -4.039
  103    HE1  HIS  14           HE1      HIS  14   9.823   6.156  -0.056
  104    HE2  HIS  14           HE2      HIS  14  11.036   7.438  -1.902
  105    H    HIS  15           H        HIS  15   4.644   4.865  -2.871
  106    HA   HIS  15           HA       HIS  15   3.083   3.317  -4.720
  107   1HB   HIS  15          HB2       HIS  15   1.982   3.043  -2.827
  108   2HB   HIS  15          HB3       HIS  15   2.819   4.376  -2.048
  109    HD2  HIS  15           HD2      HIS  15  -0.335   3.791  -4.242
  110    HE1  HIS  15           HE1      HIS  15  -0.778   7.571  -2.356
  111    HE2  HIS  15           HE2      HIS  15  -1.904   5.876  -3.873
  112    H    VAL  16           H        VAL  16   1.325   4.060  -5.952
  113    HA   VAL  16           HA       VAL  16   0.844   6.881  -6.378
  114    HB   VAL  16           HB       VAL  16   1.219   6.874  -8.796
  115   1HG1  VAL  16          1HG1      VAL  16   3.556   6.416  -9.102
  116   2HG1  VAL  16          2HG1      VAL  16   3.301   7.280  -7.559
  117   3HG1  VAL  16          3HG1      VAL  16   3.667   5.516  -7.619
  118   1HG2  VAL  16          1HG2      VAL  16   2.077   4.922 -10.034
  119   2HG2  VAL  16          2HG2      VAL  16   1.838   3.912  -8.585
  120   3HG2  VAL  16          3HG2      VAL  16   0.458   4.674  -9.406
  121    H    GLU  17           H        GLU  17  -1.303   7.055  -7.756
  122    HA   GLU  17           HA       GLU  17  -3.041   4.717  -7.127
  123   1HB   GLU  17          HB2       GLU  17  -4.847   6.525  -7.431
  124   2HB   GLU  17          HB3       GLU  17  -3.937   6.455  -5.928
  125   1HG   GLU  17          HG2       GLU  17  -4.308   8.771  -6.732
  126   2HG   GLU  17          HG3       GLU  17  -2.596   8.390  -6.563
  127    H    THR  18           H        THR  18  -1.645   6.552  -9.646
  128    HA   THR  18           HA       THR  18  -3.084   4.987 -11.707
  129    HB   THR  18           HB       THR  18  -2.422   7.957 -11.575
  130    HG1  THR  18           HG1      THR  18  -4.276   7.776 -10.606
  131   1HG2  THR  18          1HG2      THR  18  -2.744   8.267 -13.769
  132   2HG2  THR  18          2HG2      THR  18  -2.514   6.535 -13.983
  133   3HG2  THR  18          3HG2      THR  18  -4.144   7.228 -13.820
  134    H    ARG  19           H        ARG  19  -1.572   4.159 -13.236
  135    HA   ARG  19           HA       ARG  19   1.152   5.245 -13.275
  136   1HB   ARG  19          HB2       ARG  19   2.334   3.196 -12.823
  137   2HB   ARG  19          HB3       ARG  19   1.198   3.389 -11.486
  138   1HG   ARG  19          HG2       ARG  19  -0.330   1.780 -12.534
  139   2HG   ARG  19          HG3       ARG  19   0.726   1.622 -13.941
  140   1HD   ARG  19          HD2       ARG  19   2.293   0.355 -12.939
  141   2HD   ARG  19          HD3       ARG  19   1.820   0.742 -11.298
  142    HE   ARG  19           HE       ARG  19  -0.472  -0.342 -12.140
  143   1HH1  ARG  19          2HH2      ARG  19   2.737  -1.803 -12.145
  144   2HH1  ARG  19          1HH2      ARG  19   2.198  -3.317 -12.772
  145   1HH2  ARG  19          1HH1      ARG  19  -1.178  -2.387 -13.022
  146   2HH2  ARG  19          2HH1      ARG  19   0.029  -3.629 -13.219
  147    H    TRP  20           H        TRP  20   2.515   4.151 -14.858
  148    HA   TRP  20           HA       TRP  20   1.175   3.039 -17.285
  149   1HB   TRP  20          HB2       TRP  20   3.810   4.477 -16.791
  150   2HB   TRP  20          HB3       TRP  20   3.308   3.790 -18.346
  151    HD1  TRP  20           HD1      TRP  20   2.437   6.651 -15.980
  152    HE1  TRP  20           HE1      TRP  20   0.626   8.099 -16.961
  153    HE3  TRP  20           HE3      TRP  20   1.674   4.139 -20.366
  154    HZ2  TRP  20           HZ2      TRP  20  -0.908   8.284 -19.387
  155    HZ3  TRP  20           HZ3      TRP  20  -0.010   4.988 -22.013
  156    HH2  TRP  20           HH2      TRP  20  -1.315   7.025 -21.510
  157    H    HIS  21           H        HIS  21   1.809   0.950 -17.682
  158    HA   HIS  21           HA       HIS  21   3.764  -0.236 -15.771
  159   1HB   HIS  21          HB2       HIS  21   1.834  -0.766 -14.723
  160   2HB   HIS  21          HB3       HIS  21   0.853  -0.776 -16.168
  161    HD2  HIS  21           HD2      HIS  21   3.943  -3.095 -16.011
  162    HE1  HIS  21           HE1      HIS  21   0.503  -5.577 -15.743
  163    HE2  HIS  21           HE2      HIS  21   3.041  -5.527 -16.030
  164    H    CYS  22           H        CYS  22   5.272  -1.298 -16.782
  165    HA   CYS  22           HA       CYS  22   5.331  -1.878 -19.605
  166   1HB   CYS  22          HB2       CYS  22   7.080  -1.760 -17.236
  167   2HB   CYS  22          HB3       CYS  22   7.454  -3.122 -18.278
  168    H    THR  23           H        THR  23   4.582  -3.483 -20.586
  169    HA   THR  23           HA       THR  23   4.007  -6.024 -19.149
  170    HB   THR  23           HB       THR  23   2.263  -6.548 -20.837
  171    HG1  THR  23           HG1      THR  23   3.277  -4.168 -21.814
  172   1HG2  THR  23          1HG2      THR  23   1.979  -3.830 -19.588
  173   2HG2  THR  23          2HG2      THR  23   0.646  -4.965 -20.010
  174   3HG2  THR  23          3HG2      THR  23   1.761  -5.342 -18.673
  175    H    VAL  24           H        VAL  24   6.411  -5.128 -20.184
  176    HA   VAL  24           HA       VAL  24   7.495  -7.108 -22.032
  177    HB   VAL  24           HB       VAL  24   7.508  -4.866 -22.822
  178   1HG1  VAL  24          1HG1      VAL  24   7.123  -3.122 -21.686
  179   2HG1  VAL  24          2HG1      VAL  24   7.442  -3.884 -20.162
  180   3HG1  VAL  24          3HG1      VAL  24   8.778  -3.150 -21.015
  181   1HG2  VAL  24          1HG2      VAL  24   9.786  -6.043 -22.856
  182   2HG2  VAL  24          2HG2      VAL  24   9.899  -4.250 -22.899
  183   3HG2  VAL  24          3HG2      VAL  24  10.213  -5.110 -21.405
  184    H    CYS  25           H        CYS  25   8.398  -4.890 -19.382
  185    HA   CYS  25           HA       CYS  25  10.237  -6.634 -18.066
  186   1HB   CYS  25          HB2       CYS  25   8.791  -4.230 -16.913
  187   2HB   CYS  25          HB3       CYS  25  10.404  -4.773 -16.494
  188    H    GLU  26           H        GLU  26   9.843  -7.134 -15.607
  189    HA   GLU  26           HA       GLU  26   7.284  -8.493 -15.259
  190   1HB   GLU  26          HB2       GLU  26   9.926  -8.397 -13.846
  191   2HB   GLU  26          HB3       GLU  26   8.511  -8.756 -12.863
  192   1HG   GLU  26          HG2       GLU  26   7.865 -10.588 -14.340
  193   2HG   GLU  26          HG3       GLU  26   9.317 -10.315 -15.347
  194    H    ASP  27           H        ASP  27   5.704  -7.032 -15.077
  195    HA   ASP  27           HA       ASP  27   4.431  -5.334 -14.370
  196   1HB   ASP  27          HB2       ASP  27   4.020  -7.290 -12.902
  197   2HB   ASP  27          HB3       ASP  27   5.030  -6.556 -11.664
  198    H    TYR  28           H        TYR  28   6.962  -4.380 -14.811
  199    HA   TYR  28           HA       TYR  28   7.845  -2.534 -12.806
  200   1HB   TYR  28          HB2       TYR  28   9.254  -3.439 -14.659
  201   2HB   TYR  28          HB3       TYR  28   8.235  -2.583 -15.813
  202    HD1  TYR  28           HD1      TYR  28  11.288  -2.409 -14.091
  203    HD2  TYR  28           HD2      TYR  28   8.096   0.034 -15.631
  204    HE1  TYR  28           HE1      TYR  28  12.760  -0.392 -13.965
  205    HE2  TYR  28           HE2      TYR  28   9.553   2.000 -15.542
  206    HH   TYR  28           HH       TYR  28  11.577   2.856 -14.805
  207    H    ASP  29           H        ASP  29   7.394  -0.316 -12.611
  208    HA   ASP  29           HA       ASP  29   4.911   0.613 -14.017
  209   1HB   ASP  29          HB2       ASP  29   5.545   1.628 -11.269
  210   2HB   ASP  29          HB3       ASP  29   4.011   1.349 -12.072
  211    H    LEU  30           H        LEU  30   4.621   2.965 -14.053
  212    HA   LEU  30           HA       LEU  30   6.781   4.608 -12.967
  213   1HB   LEU  30          HB2       LEU  30   5.848   4.687 -15.873
  214   2HB   LEU  30          HB3       LEU  30   6.681   6.001 -15.075
  215    HG   LEU  30           HG       LEU  30   7.774   3.202 -15.589
  216   1HD1  LEU  30          1HD1      LEU  30   8.620   5.875 -16.761
  217   2HD1  LEU  30          2HD1      LEU  30   9.296   4.283 -17.139
  218   3HD1  LEU  30          3HD1      LEU  30   7.591   4.664 -17.568
  219   1HD2  LEU  30          1HD2      LEU  30   9.977   4.165 -14.864
  220   2HD2  LEU  30          2HD2      LEU  30   9.155   5.669 -14.382
  221   3HD2  LEU  30          3HD2      LEU  30   8.826   4.175 -13.517
  222    H    CYS  31           H        CYS  31   5.904   6.441 -11.987
  223    HA   CYS  31           HA       CYS  31   3.100   7.023 -12.149
  224   1HB   CYS  31          HB2       CYS  31   3.660   9.053 -11.034
  225   2HB   CYS  31          HB3       CYS  31   4.481   7.766 -10.180
  226    H    ILE  32           H        ILE  32   2.425   9.153 -12.988
  227    HA   ILE  32           HA       ILE  32   2.762   9.254 -15.727
  228    HB   ILE  32           HB       ILE  32   1.856  11.563 -13.952
  229   1HG1  ILE  32          2HG1      ILE  32   0.627   9.730 -13.063
  230   2HG1  ILE  32          3HG1      ILE  32  -0.458  10.563 -14.151
  231   1HG2  ILE  32          1HG2      ILE  32   1.200  10.750 -16.812
  232   2HG2  ILE  32          2HG2      ILE  32   0.392  12.054 -15.923
  233   3HG2  ILE  32          3HG2      ILE  32   2.137  12.160 -16.251
  234   1HD1  ILE  32          1HD1      ILE  32  -0.138   8.876 -15.838
  235   2HD1  ILE  32          2HD1      ILE  32   1.002   7.948 -14.796
  236   3HD1  ILE  32          3HD1      ILE  32  -0.676   8.121 -14.325
  237    H    ASN  33           H        ASN  33   4.313  11.274 -13.264
  238    HA   ASN  33           HA       ASN  33   5.631  13.039 -15.101
  239   1HB   ASN  33          HB2       ASN  33   5.395  13.853 -12.875
  240   2HB   ASN  33          HB3       ASN  33   5.913  12.339 -12.137
  241   1HD2  ASN  33          2HD2      ASN  33   8.242  11.811 -12.084
  242   2HD2  ASN  33          1HD2      ASN  33   9.370  13.140 -12.216
  243    H    CYS  34           H        CYS  34   6.684  10.018 -13.512
  244    HA   CYS  34           HA       CYS  34   9.316  10.182 -14.661
  245   1HB   CYS  34          HB2       CYS  34   7.740   7.950 -13.323
  246   2HB   CYS  34          HB3       CYS  34   9.319   7.675 -14.099
  247    H    TYR  35           H        TYR  35   6.276   8.509 -15.658
  248    HA   TYR  35           HA       TYR  35   7.418   7.264 -17.908
  249   1HB   TYR  35          HB2       TYR  35   5.125   6.791 -17.102
  250   2HB   TYR  35          HB3       TYR  35   4.588   8.394 -17.595
  251    HD1  TYR  35           HD1      TYR  35   6.527   5.569 -19.240
  252    HD2  TYR  35           HD2      TYR  35   3.272   8.409 -19.528
  253    HE1  TYR  35           HE1      TYR  35   6.056   4.770 -21.508
  254    HE2  TYR  35           HE2      TYR  35   2.816   7.606 -21.847
  255    HH   TYR  35           HH       TYR  35   4.732   4.954 -23.343
  256    H    ASN  36           H        ASN  36   6.099  10.514 -17.500
  257    HA   ASN  36           HA       ASN  36   6.357  11.466 -20.138
  258   1HB   ASN  36          HB2       ASN  36   5.913  12.653 -17.403
  259   2HB   ASN  36          HB3       ASN  36   6.523  13.773 -18.564
  260   1HD2  ASN  36          2HD2      ASN  36   3.894  11.419 -18.158
  261   2HD2  ASN  36          1HD2      ASN  36   2.754  12.285 -19.209
  262    H    THR  37           H        THR  37   8.923  10.842 -17.921
  263    HA   THR  37           HA       THR  37  10.709  12.636 -19.530
  264    HB   THR  37           HB       THR  37  12.060  12.845 -17.392
  265    HG1  THR  37           HG1      THR  37   9.666  12.149 -16.076
  266   1HG2  THR  37          1HG2      THR  37  10.612  14.679 -18.174
  267   2HG2  THR  37          2HG2      THR  37   9.252  14.014 -17.244
  268   3HG2  THR  37          3HG2      THR  37  10.709  14.577 -16.391
  269    H    LYS  38           H        LYS  38  10.594   9.695 -17.574
  270    HA   LYS  38           HA       LYS  38  13.227   8.755 -18.237
  271   1HB   LYS  38          HB2       LYS  38  10.869   7.147 -17.233
  272   2HB   LYS  38          HB3       LYS  38  12.575   6.746 -17.070
  273   1HG   LYS  38          HG2       LYS  38  11.218   9.153 -15.718
  274   2HG   LYS  38          HG3       LYS  38  11.476   7.599 -14.973
  275   1HD   LYS  38          HD2       LYS  38  13.882   7.925 -15.056
  276   2HD   LYS  38          HD3       LYS  38  13.692   9.409 -16.015
  277   1HE   LYS  38          HE2       LYS  38  14.103  10.003 -13.724
  278   2HE   LYS  38          HE3       LYS  38  12.455  10.496 -14.193
  279   1HZ   LYS  38          HZ1       LYS  38  12.621   9.424 -11.969
  280   2HZ   LYS  38          HZ2       LYS  38  11.613   8.619 -12.952
  281   3HZ   LYS  38          HZ3       LYS  38  13.146   8.062 -12.677
  282    H    SER  39           H        SER  39  10.660   9.043 -20.308
  283    HA   SER  39           HA       SER  39  10.019   8.050 -22.223
  284   1HB   SER  39          HB2       SER  39  13.047   8.045 -22.544
  285   2HB   SER  39          HB3       SER  39  11.850   8.168 -23.838
  286    HG   SER  39           HG       SER  39  12.452  10.061 -21.810
  287    H    HIS  40           H        HIS  40   9.680   6.023 -20.538
  288    HA   HIS  40           HA       HIS  40  11.079   3.594 -21.282
  289   1HB   HIS  40          HB2       HIS  40   9.233   4.411 -19.291
  290   2HB   HIS  40          HB3       HIS  40   8.398   3.195 -20.251
  291    HD1  HIS  40           HD1      HIS  40  11.455   3.471 -17.908
  292    HD2  HIS  40           HD2      HIS  40   9.391   0.719 -20.293
  293    HE1  HIS  40           HE1      HIS  40  12.256   1.142 -17.192
  294    H    THR  41           H        THR  41  10.998   2.911 -23.285
  295    HA   THR  41           HA       THR  41   8.846   3.748 -25.031
  296    HB   THR  41           HB       THR  41  11.073   2.167 -26.123
  297    HG1  THR  41           HG1      THR  41  11.795   4.450 -24.641
  298   1HG2  THR  41          1HG2      THR  41  10.307   5.078 -26.570
  299   2HG2  THR  41          2HG2      THR  41  11.379   4.097 -27.598
  300   3HG2  THR  41          3HG2      THR  41   9.653   3.689 -27.467
  301    H    HIS  42           H        HIS  42   8.978   1.001 -23.097
  302    HA   HIS  42           HA       HIS  42   8.657  -0.960 -25.195
  303   1HB   HIS  42          HB2       HIS  42   8.171  -1.200 -22.245
  304   2HB   HIS  42          HB3       HIS  42   8.613  -2.493 -23.422
  305    HD2  HIS  42           HD2      HIS  42  11.258  -1.095 -24.647
  306    HE1  HIS  42           HE1      HIS  42  12.594  -1.014 -20.590
  307    HE2  HIS  42           HE2      HIS  42  13.326  -0.828 -23.046
  308    H    LYS  43           H        LYS  43   6.827  -2.606 -24.900
  309    HA   LYS  43           HA       LYS  43   4.285  -1.291 -25.231
  310   1HB   LYS  43          HB2       LYS  43   4.874  -3.472 -26.309
  311   2HB   LYS  43          HB3       LYS  43   4.804  -4.244 -24.706
  312   1HG   LYS  43          HG2       LYS  43   2.373  -3.231 -24.570
  313   2HG   LYS  43          HG3       LYS  43   2.590  -2.829 -26.255
  314   1HD   LYS  43          HD2       LYS  43   1.427  -4.771 -26.373
  315   2HD   LYS  43          HD3       LYS  43   3.063  -5.376 -26.604
  316   1HE   LYS  43          HE2       LYS  43   1.602  -5.291 -23.910
  317   2HE   LYS  43          HE3       LYS  43   1.467  -6.669 -24.997
  318   1HZ   LYS  43          HZ1       LYS  43   3.114  -7.017 -23.303
  319   2HZ   LYS  43          HZ2       LYS  43   3.888  -6.972 -24.761
  320   3HZ   LYS  43          HZ3       LYS  43   3.915  -5.708 -23.678
  321    H    MET  44           H        MET  44   3.552  -0.156 -23.518
  322    HA   MET  44           HA       MET  44   3.330  -1.481 -20.856
  323   1HB   MET  44          HB2       MET  44   3.436   1.392 -21.842
  324   2HB   MET  44          HB3       MET  44   2.797   0.976 -20.226
  325   1HG   MET  44          HG2       MET  44   4.713   0.111 -19.465
  326   2HG   MET  44          HG3       MET  44   5.528  -0.018 -20.998
  327   1HE   MET  44          HE1       MET  44   4.646   1.909 -17.836
  328   2HE   MET  44          HE2       MET  44   6.241   1.166 -17.932
  329   3HE   MET  44          HE3       MET  44   6.117   2.931 -17.795
  330    H    VAL  45           H        VAL  45   1.377  -0.560 -19.697
  331    HA   VAL  45           HA       VAL  45  -1.097  -0.291 -21.234
  332    HB   VAL  45           HB       VAL  45  -2.117  -1.492 -19.281
  333   1HG1  VAL  45          1HG1      VAL  45  -1.962  -2.552 -21.542
  334   2HG1  VAL  45          2HG1      VAL  45  -0.370  -3.239 -21.092
  335   3HG1  VAL  45          3HG1      VAL  45  -1.836  -3.753 -20.262
  336   1HG2  VAL  45          1HG2      VAL  45   0.699  -2.489 -18.807
  337   2HG2  VAL  45          2HG2      VAL  45  -0.342  -1.555 -17.722
  338   3HG2  VAL  45          3HG2      VAL  45  -0.737  -3.259 -18.157
  339    H    LYS  46           H        LYS  46  -2.673   0.694 -19.301
  340    HA   LYS  46           HA       LYS  46  -1.184   2.509 -17.506
  341   1HB   LYS  46          HB2       LYS  46  -1.402   3.830 -19.499
  342   2HB   LYS  46          HB3       LYS  46  -3.083   3.383 -19.731
  343   1HG   LYS  46          HG2       LYS  46  -2.085   4.993 -17.323
  344   2HG   LYS  46          HG3       LYS  46  -2.498   5.743 -18.865
  345   1HD   LYS  46          HD2       LYS  46  -4.861   4.666 -18.598
  346   2HD   LYS  46          HD3       LYS  46  -4.375   4.333 -16.933
  347   1HE   LYS  46          HE2       LYS  46  -5.630   6.331 -16.907
  348   2HE   LYS  46          HE3       LYS  46  -3.971   6.706 -16.500
  349   1HZ   LYS  46          HZ1       LYS  46  -4.975   7.152 -19.271
  350   2HZ   LYS  46          HZ2       LYS  46  -5.070   8.248 -18.037
  351   3HZ   LYS  46          HZ3       LYS  46  -3.670   7.802 -18.463
  352    H    TRP  47           H        TRP  47  -2.274   2.627 -15.642
  353    HA   TRP  47           HA       TRP  47  -5.083   1.651 -15.559
  354   1HB   TRP  47          HB2       TRP  47  -2.986   1.096 -13.419
  355   2HB   TRP  47          HB3       TRP  47  -4.625   0.463 -13.501
  356    HD1  TRP  47           HD1      TRP  47  -1.155  -0.272 -14.519
  357    HE1  TRP  47           HE1      TRP  47  -0.995  -2.361 -16.002
  358    HE3  TRP  47           HE3      TRP  47  -6.069  -0.732 -15.819
  359    HZ2  TRP  47           HZ2      TRP  47  -2.713  -3.799 -17.847
  360    HZ3  TRP  47           HZ3      TRP  47  -6.704  -2.305 -17.639
  361    HH2  TRP  47           HH2      TRP  47  -5.056  -3.850 -18.601
  362    H    GLY  48           H        GLY  48  -6.315   3.367 -14.804
  363   1HA   GLY  48          HA2       GLY  48  -4.897   5.339 -13.156
  364   2HA   GLY  48          HA3       GLY  48  -5.574   5.898 -14.724
  365    H    LEU  49           H        LEU  49  -5.988   6.404 -11.871
  366    HA   LEU  49           HA       LEU  49  -8.918   5.965 -11.614
  367   1HB   LEU  49          HB2       LEU  49  -6.718   5.480  -9.581
  368   2HB   LEU  49          HB3       LEU  49  -8.373   5.757  -9.108
  369    HG   LEU  49           HG       LEU  49  -8.048   3.514  -9.039
  370   1HD1  LEU  49          1HD1      LEU  49  -9.640   3.873 -11.592
  371   2HD1  LEU  49          2HD1      LEU  49  -9.795   2.583 -10.374
  372   3HD1  LEU  49          3HD1      LEU  49 -10.235   4.251  -9.961
  373   1HD2  LEU  49          1HD2      LEU  49  -7.102   2.026 -10.543
  374   2HD2  LEU  49          2HD2      LEU  49  -7.374   3.075 -11.939
  375   3HD2  LEU  49          3HD2      LEU  49  -6.085   3.453 -10.773
  376    H    GLY  50           H        GLY  50  -6.370   8.321 -11.725
  377   1HA   GLY  50          HA2       GLY  50  -8.244  10.394 -11.083
  378   2HA   GLY  50          HA3       GLY  50  -7.218  10.089  -9.695
  379    H    LEU  51           H        LEU  51  -4.700   9.643 -11.085
  380    HA   LEU  51           HA       LEU  51  -4.061  12.437 -11.466
  381   1HB   LEU  51          HB2       LEU  51  -2.846  10.666 -10.139
  382   2HB   LEU  51          HB3       LEU  51  -2.230  10.023 -11.668
  383    HG   LEU  51           HG       LEU  51  -0.979  12.105 -12.059
  384   1HD1  LEU  51          1HD1      LEU  51  -2.400  13.750 -10.823
  385   2HD1  LEU  51          2HD1      LEU  51  -2.060  12.909  -9.302
  386   3HD1  LEU  51          3HD1      LEU  51  -0.755  13.749 -10.176
  387   1HD2  LEU  51          1HD2      LEU  51  -0.579  10.807  -9.313
  388   2HD2  LEU  51          2HD2      LEU  51   0.036  10.191 -10.850
  389   3HD2  LEU  51          3HD2      LEU  51   0.658  11.719 -10.191
  390    H    ASP  52           H        ASP  52  -4.792   9.910 -13.731
  391    HA   ASP  52           HA       ASP  52  -4.508  11.488 -16.080
  392   1HB   ASP  52          HB2       ASP  52  -2.256  11.165 -16.337
  393   2HB   ASP  52          HB3       ASP  52  -2.229   9.784 -15.250
  Start of MODEL    6
    1   1H    GLY   1           H1       GLY   1   3.867  -3.769 -10.298
    2   2H    GLY   1           H2       GLY   1   4.157  -2.218  -9.897
    3   3H    GLY   1           H3       GLY   1   5.234  -3.393  -9.480
    4   1HA   GLY   1          HA2       GLY   1   3.479  -4.437  -8.110
    5   2HA   GLY   1          HA3       GLY   1   3.989  -2.840  -7.509
    6    H    GLN   2           H        GLN   2   1.264  -4.315  -7.244
    7    HA   GLN   2           HA       GLN   2  -0.389  -2.029  -7.977
    8   1HB   GLN   2          HB2       GLN   2  -1.971  -3.343  -9.246
    9   2HB   GLN   2          HB3       GLN   2  -0.400  -3.464 -10.033
   10   1HG   GLN   2          HG2       GLN   2  -1.634  -5.610  -8.246
   11   2HG   GLN   2          HG3       GLN   2  -1.625  -5.641 -10.001
   12   1HE2  GLN   2          2HE2      GLN   2   0.590  -5.586 -11.088
   13   2HE2  GLN   2          1HE2      GLN   2   1.919  -6.308 -10.254
   14    H    ASP   3           H        ASP   3  -2.545  -2.335  -7.395
   15    HA   ASP   3           HA       ASP   3  -3.546  -4.094  -5.339
   16   1HB   ASP   3          HB2       ASP   3  -2.621  -2.446  -3.823
   17   2HB   ASP   3          HB3       ASP   3  -3.076  -1.102  -4.893
   18    H    ARG   4           H        ARG   4  -5.966  -3.303  -5.227
   19    HA   ARG   4           HA       ARG   4  -6.965  -3.086  -7.904
   20   1HB   ARG   4          HB2       ARG   4  -9.216  -2.793  -6.815
   21   2HB   ARG   4          HB3       ARG   4  -8.346  -4.280  -6.449
   22   1HG   ARG   4          HG2       ARG   4  -9.488  -3.502  -4.505
   23   2HG   ARG   4          HG3       ARG   4  -7.750  -3.484  -4.244
   24   1HD   ARG   4          HD2       ARG   4  -7.653  -1.089  -4.379
   25   2HD   ARG   4          HD3       ARG   4  -9.300  -0.994  -5.035
   26    HE   ARG   4           HE       ARG   4 -10.146  -0.987  -2.963
   27   1HH1  ARG   4          1HH2      ARG   4  -6.722  -1.955  -2.692
   28   2HH1  ARG   4          2HH2      ARG   4  -6.676  -1.944  -1.013
   29   1HH2  ARG   4          1HH1      ARG   4 -10.145  -1.015  -0.693
   30   2HH2  ARG   4          2HH1      ARG   4  -8.689  -1.338   0.195
   31    H    PHE   5           H        PHE   5  -6.119  -0.534  -5.604
   32    HA   PHE   5           HA       PHE   5  -6.659   1.332  -7.793
   33   1HB   PHE   5          HB2       PHE   5  -7.902   2.949  -6.526
   34   2HB   PHE   5          HB3       PHE   5  -8.746   1.433  -6.701
   35    HD1  PHE   5           HD1      PHE   5  -6.215   1.518  -3.946
   36    HD2  PHE   5           HD2      PHE   5 -10.301   2.404  -5.027
   37    HE1  PHE   5           HE1      PHE   5  -6.808   1.634  -1.581
   38    HE2  PHE   5           HE2      PHE   5 -10.899   2.452  -2.616
   39    HZ   PHE   5           HZ       PHE   5  -9.133   2.107  -0.880
   40    H    VAL   6           H        VAL   6  -4.398   0.175  -5.956
   41    HA   VAL   6           HA       VAL   6  -2.926   2.721  -5.926
   42    HB   VAL   6           HB       VAL   6  -3.410   0.802  -3.657
   43   1HG1  VAL   6          1HG1      VAL   6  -1.309   1.320  -2.537
   44   2HG1  VAL   6          2HG1      VAL   6  -1.030   0.385  -4.020
   45   3HG1  VAL   6          3HG1      VAL   6  -0.708   2.142  -3.979
   46   1HG2  VAL   6          1HG2      VAL   6  -2.588   3.734  -3.792
   47   2HG2  VAL   6          2HG2      VAL   6  -4.270   3.164  -3.821
   48   3HG2  VAL   6          3HG2      VAL   6  -3.264   2.859  -2.381
   49    H    TYR   7           H        TYR   7  -0.698   2.377  -6.288
   50    HA   TYR   7           HA       TYR   7   0.231  -0.101  -7.595
   51   1HB   TYR   7          HB2       TYR   7  -0.187   2.640  -8.845
   52   2HB   TYR   7          HB3       TYR   7   0.642   1.371  -9.669
   53    HD1  TYR   7           HD1      TYR   7  -0.871  -0.892 -10.007
   54    HD2  TYR   7           HD2      TYR   7  -2.490   2.889  -8.831
   55    HE1  TYR   7           HE1      TYR   7  -3.128  -1.640 -10.758
   56    HE2  TYR   7           HE2      TYR   7  -4.749   2.052  -9.226
   57    HH   TYR   7           HH       TYR   7  -6.055   0.326 -10.178
   58    H    THR   8           H        THR   8   2.521   0.864  -8.682
   59    HA   THR   8           HA       THR   8   3.730   2.805  -6.772
   60    HB   THR   8           HB       THR   8   5.842   1.258  -7.412
   61    HG1  THR   8           HG1      THR   8   4.983  -0.358  -8.532
   62   1HG2  THR   8          1HG2      THR   8   3.876   0.381  -5.279
   63   2HG2  THR   8          2HG2      THR   8   5.642   0.082  -5.301
   64   3HG2  THR   8          3HG2      THR   8   5.028   1.730  -5.118
   65    H    CYS   9           H        CYS   9   5.749   3.728  -7.735
   66    HA   CYS   9           HA       CYS   9   5.726   3.845 -10.729
   67   1HB   CYS   9          HB2       CYS   9   5.531   6.157  -9.843
   68   2HB   CYS   9          HB3       CYS   9   6.844   5.827  -8.703
   69    H    ASN  10           H        ASN  10   7.317   2.193 -11.162
   70    HA   ASN  10           HA       ASN  10   9.059   1.340  -9.080
   71   1HB   ASN  10          HB2       ASN  10   8.140  -0.135 -10.912
   72   2HB   ASN  10          HB3       ASN  10   9.302   0.627 -12.009
   73   1HD2  ASN  10          2HD2      ASN  10  10.938  -0.946 -12.277
   74   2HD2  ASN  10          1HD2      ASN  10  11.686  -1.816 -10.943
   75    H    GLU  11           H        GLU  11   9.183   4.183 -10.744
   76    HA   GLU  11           HA       GLU  11  12.101   4.188 -10.698
   77   1HB   GLU  11          HB2       GLU  11  10.206   5.662 -12.345
   78   2HB   GLU  11          HB3       GLU  11  11.358   6.702 -11.537
   79   1HG   GLU  11          HG2       GLU  11  12.184   4.192 -13.086
   80   2HG   GLU  11          HG3       GLU  11  12.272   5.833 -13.735
   81    H    CYS  12           H        CYS  12   9.282   5.347  -8.984
   82    HA   CYS  12           HA       CYS  12  11.021   7.051  -7.248
   83   1HB   CYS  12          HB2       CYS  12   8.022   6.601  -7.150
   84   2HB   CYS  12          HB3       CYS  12   8.956   7.825  -6.263
   85    H    LYS  13           H        LYS  13   9.450   4.000  -7.475
   86    HA   LYS  13           HA       LYS  13   8.958   2.260  -6.118
   87   1HB   LYS  13          HB2       LYS  13  11.741   2.889  -5.040
   88   2HB   LYS  13          HB3       LYS  13  10.746   1.530  -4.494
   89   1HG   LYS  13          HG2       LYS  13  11.539   0.300  -6.128
   90   2HG   LYS  13          HG3       LYS  13  10.559   1.222  -7.234
   91   1HD   LYS  13          HD2       LYS  13  13.525   1.462  -6.750
   92   2HD   LYS  13          HD3       LYS  13  12.615   1.115  -8.230
   93   1HE   LYS  13          HE2       LYS  13  11.680   3.488  -8.050
   94   2HE   LYS  13          HE3       LYS  13  12.889   3.817  -6.816
   95   1HZ   LYS  13          HZ1       LYS  13  14.573   3.231  -8.578
   96   2HZ   LYS  13          HZ2       LYS  13  13.326   3.058  -9.637
   97   3HZ   LYS  13          HZ3       LYS  13  13.608   4.487  -8.976
   98    H    HIS  14           H        HIS  14   7.601   4.308  -5.783
   99    HA   HIS  14           HA       HIS  14   6.801   4.218  -2.960
  100   1HB   HIS  14          HB2       HIS  14   8.038   6.311  -3.211
  101   2HB   HIS  14          HB3       HIS  14   7.127   6.727  -4.664
  102    HD2  HIS  14           HD2      HIS  14   5.147   8.272  -4.309
  103    HE1  HIS  14           HE1      HIS  14   3.892   7.054  -0.443
  104    HE2  HIS  14           HE2      HIS  14   3.391   8.559  -2.434
  105    H    HIS  15           H        HIS  15   4.537   4.846  -2.802
  106    HA   HIS  15           HA       HIS  15   2.992   3.444  -4.796
  107   1HB   HIS  15          HB2       HIS  15   2.258   4.794  -2.177
  108   2HB   HIS  15          HB3       HIS  15   1.057   4.060  -3.234
  109    HD2  HIS  15           HD2      HIS  15   1.413   1.420  -3.854
  110    HE1  HIS  15           HE1      HIS  15   3.377   0.530  -0.172
  111    HE2  HIS  15           HE2      HIS  15   2.172  -0.473  -2.203
  112    H    VAL  16           H        VAL  16   1.282   4.166  -6.009
  113    HA   VAL  16           HA       VAL  16   0.728   7.033  -6.340
  114    HB   VAL  16           HB       VAL  16   1.158   6.961  -8.687
  115   1HG1  VAL  16          1HG1      VAL  16   3.246   7.334  -7.414
  116   2HG1  VAL  16          2HG1      VAL  16   3.555   5.584  -7.377
  117   3HG1  VAL  16          3HG1      VAL  16   3.550   6.410  -8.922
  118   1HG2  VAL  16          1HG2      VAL  16   1.794   3.980  -8.478
  119   2HG2  VAL  16          2HG2      VAL  16   0.382   4.725  -9.260
  120   3HG2  VAL  16          3HG2      VAL  16   1.995   4.982  -9.921
  121    H    GLU  17           H        GLU  17  -1.417   7.228  -7.647
  122    HA   GLU  17           HA       GLU  17  -3.159   4.898  -7.062
  123   1HB   GLU  17          HB2       GLU  17  -4.953   6.700  -7.596
  124   2HB   GLU  17          HB3       GLU  17  -4.179   6.642  -6.015
  125   1HG   GLU  17          HG2       GLU  17  -4.490   8.947  -6.870
  126   2HG   GLU  17          HG3       GLU  17  -2.804   8.554  -6.531
  127    H    THR  18           H        THR  18  -1.705   6.716  -9.606
  128    HA   THR  18           HA       THR  18  -3.017   4.998 -11.652
  129    HB   THR  18           HB       THR  18  -2.486   7.998 -11.644
  130    HG1  THR  18           HG1      THR  18  -4.295   7.810 -10.740
  131   1HG2  THR  18          1HG2      THR  18  -3.051   6.095 -13.932
  132   2HG2  THR  18          2HG2      THR  18  -3.893   7.652 -13.892
  133   3HG2  THR  18          3HG2      THR  18  -2.088   7.549 -13.849
  134    H    ARG  19           H        ARG  19  -1.509   4.116 -13.136
  135    HA   ARG  19           HA       ARG  19   1.201   5.262 -13.209
  136   1HB   ARG  19          HB2       ARG  19   2.370   3.218 -12.729
  137   2HB   ARG  19          HB3       ARG  19   1.251   3.433 -11.400
  138   1HG   ARG  19          HG2       ARG  19  -0.327   1.867 -12.391
  139   2HG   ARG  19          HG3       ARG  19   0.707   1.649 -13.825
  140   1HD   ARG  19          HD2       ARG  19   2.259   0.341 -12.797
  141   2HD   ARG  19          HD3       ARG  19   1.777   0.780 -11.169
  142    HE   ARG  19           HE       ARG  19  -0.492  -0.287 -11.895
  143   1HH1  ARG  19          1HH2      ARG  19   2.714  -1.828 -12.110
  144   2HH1  ARG  19          2HH2      ARG  19   2.122  -3.313 -12.671
  145   1HH2  ARG  19          1HH1      ARG  19  -1.256  -2.332 -12.817
  146   2HH2  ARG  19          2HH1      ARG  19  -0.067  -3.553 -13.142
  147    H    TRP  20           H        TRP  20   2.533   4.102 -14.785
  148    HA   TRP  20           HA       TRP  20   1.126   3.115 -17.203
  149   1HB   TRP  20          HB2       TRP  20   3.824   4.428 -16.810
  150   2HB   TRP  20          HB3       TRP  20   3.172   3.781 -18.333
  151    HD1  TRP  20           HD1      TRP  20   2.627   6.626 -15.819
  152    HE1  TRP  20           HE1      TRP  20   1.066   8.391 -16.796
  153    HE3  TRP  20           HE3      TRP  20   1.601   4.427 -20.267
  154    HZ2  TRP  20           HZ2      TRP  20  -0.503   8.796 -19.141
  155    HZ3  TRP  20           HZ3      TRP  20   0.031   5.504 -21.898
  156    HH2  TRP  20           HH2      TRP  20  -1.066   7.667 -21.323
  157    H    HIS  21           H        HIS  21   1.818   0.904 -17.616
  158    HA   HIS  21           HA       HIS  21   3.772  -0.251 -15.695
  159   1HB   HIS  21          HB2       HIS  21   1.822  -0.797 -14.651
  160   2HB   HIS  21          HB3       HIS  21   0.861  -0.838 -16.091
  161    HD2  HIS  21           HD2      HIS  21   3.951  -3.180 -16.005
  162    HE1  HIS  21           HE1      HIS  21   0.536  -5.620 -15.416
  163    HE2  HIS  21           HE2      HIS  21   3.048  -5.594 -15.828
  164    H    CYS  22           H        CYS  22   5.276  -1.249 -16.783
  165    HA   CYS  22           HA       CYS  22   5.251  -1.809 -19.609
  166   1HB   CYS  22          HB2       CYS  22   7.061  -1.732 -17.277
  167   2HB   CYS  22          HB3       CYS  22   7.374  -3.122 -18.338
  168    H    THR  23           H        THR  23   4.357  -3.458 -20.544
  169    HA   THR  23           HA       THR  23   3.998  -5.992 -18.992
  170    HB   THR  23           HB       THR  23   2.265  -6.600 -20.747
  171    HG1  THR  23           HG1      THR  23   3.117  -4.309 -21.813
  172   1HG2  THR  23          1HG2      THR  23   1.951  -4.072 -19.134
  173   2HG2  THR  23          2HG2      THR  23   0.598  -5.152 -19.627
  174   3HG2  THR  23          3HG2      THR  23   1.796  -5.695 -18.442
  175    H    VAL  24           H        VAL  24   6.315  -4.920 -20.375
  176    HA   VAL  24           HA       VAL  24   7.330  -7.064 -22.103
  177    HB   VAL  24           HB       VAL  24   7.381  -4.825 -22.957
  178   1HG1  VAL  24          1HG1      VAL  24   7.445  -3.818 -20.276
  179   2HG1  VAL  24          2HG1      VAL  24   8.673  -3.092 -21.227
  180   3HG1  VAL  24          3HG1      VAL  24   6.946  -3.087 -21.790
  181   1HG2  VAL  24          1HG2      VAL  24   9.742  -4.240 -23.143
  182   2HG2  VAL  24          2HG2      VAL  24  10.106  -5.072 -21.630
  183   3HG2  VAL  24          3HG2      VAL  24   9.624  -6.015 -23.052
  184    H    CYS  25           H        CYS  25   8.258  -4.875 -19.452
  185    HA   CYS  25           HA       CYS  25  10.264  -6.564 -18.261
  186   1HB   CYS  25          HB2       CYS  25   8.744  -4.244 -17.021
  187   2HB   CYS  25          HB3       CYS  25  10.397  -4.744 -16.662
  188    H    GLU  26           H        GLU  26  10.015  -6.988 -15.823
  189    HA   GLU  26           HA       GLU  26   7.610  -8.590 -15.289
  190   1HB   GLU  26          HB2       GLU  26  10.332  -8.322 -14.055
  191   2HB   GLU  26          HB3       GLU  26   8.995  -8.670 -12.956
  192   1HG   GLU  26          HG2       GLU  26   8.273 -10.550 -14.280
  193   2HG   GLU  26          HG3       GLU  26   9.564 -10.275 -15.446
  194    H    ASP  27           H        ASP  27   6.005  -6.989 -15.314
  195    HA   ASP  27           HA       ASP  27   4.652  -5.393 -14.480
  196   1HB   ASP  27          HB2       ASP  27   4.283  -7.343 -13.029
  197   2HB   ASP  27          HB3       ASP  27   5.482  -6.738 -11.901
  198    H    TYR  28           H        TYR  28   7.071  -4.275 -15.015
  199    HA   TYR  28           HA       TYR  28   7.979  -2.495 -12.911
  200   1HB   TYR  28          HB2       TYR  28   9.380  -3.322 -14.806
  201   2HB   TYR  28          HB3       TYR  28   8.377  -2.447 -15.930
  202    HD1  TYR  28           HD1      TYR  28  11.340  -2.261 -13.963
  203    HD2  TYR  28           HD2      TYR  28   8.241   0.139 -15.761
  204    HE1  TYR  28           HE1      TYR  28  12.795  -0.237 -13.801
  205    HE2  TYR  28           HE2      TYR  28   9.712   2.121 -15.656
  206    HH   TYR  28           HH       TYR  28  12.975   2.022 -14.208
  207    H    ASP  29           H        ASP  29   7.456  -0.301 -12.675
  208    HA   ASP  29           HA       ASP  29   4.943   0.613 -14.043
  209   1HB   ASP  29          HB2       ASP  29   5.573   1.597 -11.295
  210   2HB   ASP  29          HB3       ASP  29   4.050   1.316 -12.084
  211    H    LEU  30           H        LEU  30   4.658   2.957 -14.048
  212    HA   LEU  30           HA       LEU  30   6.801   4.628 -12.982
  213   1HB   LEU  30          HB2       LEU  30   5.878   4.690 -15.890
  214   2HB   LEU  30          HB3       LEU  30   6.661   6.008 -15.055
  215    HG   LEU  30           HG       LEU  30   7.853   3.284 -15.705
  216   1HD1  LEU  30          1HD1      LEU  30   7.687   4.927 -17.595
  217   2HD1  LEU  30          2HD1      LEU  30   8.607   6.106 -16.628
  218   3HD1  LEU  30          3HD1      LEU  30   9.369   4.604 -17.159
  219   1HD2  LEU  30          1HD2      LEU  30   9.268   5.657 -14.361
  220   2HD2  LEU  30          2HD2      LEU  30   8.818   4.184 -13.507
  221   3HD2  LEU  30          3HD2      LEU  30  10.006   4.098 -14.798
  222    H    CYS  31           H        CYS  31   5.873   6.482 -12.063
  223    HA   CYS  31           HA       CYS  31   3.021   7.029 -12.317
  224   1HB   CYS  31          HB2       CYS  31   3.560   9.047 -11.121
  225   2HB   CYS  31          HB3       CYS  31   4.309   7.713 -10.265
  226    H    ILE  32           H        ILE  32   2.324   9.192 -13.027
  227    HA   ILE  32           HA       ILE  32   2.597   9.375 -15.763
  228    HB   ILE  32           HB       ILE  32   1.857  11.608 -13.799
  229   1HG1  ILE  32          2HG1      ILE  32   0.385   9.764 -13.212
  230   2HG1  ILE  32          3HG1      ILE  32  -0.499  10.961 -14.118
  231   1HG2  ILE  32          1HG2      ILE  32   1.275  11.201 -16.747
  232   2HG2  ILE  32          2HG2      ILE  32   0.381  12.347 -15.741
  233   3HG2  ILE  32          3HG2      ILE  32   2.139  12.535 -15.962
  234   1HD1  ILE  32          1HD1      ILE  32  -1.281   9.008 -15.046
  235   2HD1  ILE  32          2HD1      ILE  32  -0.069   9.478 -16.196
  236   3HD1  ILE  32          3HD1      ILE  32   0.316   8.204 -14.988
  237    H    ASN  33           H        ASN  33   4.347  11.202 -13.266
  238    HA   ASN  33           HA       ASN  33   5.664  13.017 -15.072
  239   1HB   ASN  33          HB2       ASN  33   5.330  13.716 -12.797
  240   2HB   ASN  33          HB3       ASN  33   5.992  12.239 -12.131
  241   1HD2  ASN  33          2HD2      ASN  33   8.274  12.016 -11.842
  242   2HD2  ASN  33          1HD2      ASN  33   9.360  13.332 -12.201
  243    H    CYS  34           H        CYS  34   6.714   9.958 -13.504
  244    HA   CYS  34           HA       CYS  34   9.366  10.127 -14.654
  245   1HB   CYS  34          HB2       CYS  34   7.772   7.897 -13.340
  246   2HB   CYS  34          HB3       CYS  34   9.369   7.661 -14.088
  247    H    TYR  35           H        TYR  35   6.338   8.475 -15.648
  248    HA   TYR  35           HA       TYR  35   7.289   7.207 -17.978
  249   1HB   TYR  35          HB2       TYR  35   5.084   6.805 -17.141
  250   2HB   TYR  35          HB3       TYR  35   4.634   8.485 -17.308
  251    HD1  TYR  35           HD1      TYR  35   5.791   5.577 -19.432
  252    HD2  TYR  35           HD2      TYR  35   3.362   9.128 -19.188
  253    HE1  TYR  35           HE1      TYR  35   4.813   5.070 -21.651
  254    HE2  TYR  35           HE2      TYR  35   2.437   8.669 -21.408
  255    HH   TYR  35           HH       TYR  35   2.283   7.141 -23.168
  256    H    ASN  36           H        ASN  36   6.138  10.540 -17.527
  257    HA   ASN  36           HA       ASN  36   6.430  11.559 -20.130
  258   1HB   ASN  36          HB2       ASN  36   6.046  12.618 -17.392
  259   2HB   ASN  36          HB3       ASN  36   6.813  13.749 -18.424
  260   1HD2  ASN  36          2HD2      ASN  36   3.878  12.057 -17.830
  261   2HD2  ASN  36          1HD2      ASN  36   2.905  12.881 -19.061
  262    H    THR  37           H        THR  37   9.037  10.749 -17.968
  263    HA   THR  37           HA       THR  37  10.841  12.529 -19.580
  264    HB   THR  37           HB       THR  37  12.182  12.745 -17.470
  265    HG1  THR  37           HG1      THR  37   9.844  12.094 -16.044
  266   1HG2  THR  37          1HG2      THR  37  10.810  14.589 -18.210
  267   2HG2  THR  37          2HG2      THR  37   9.395  13.950 -17.372
  268   3HG2  THR  37          3HG2      THR  37  10.794  14.487 -16.436
  269    H    LYS  38           H        LYS  38  10.731   9.592 -17.577
  270    HA   LYS  38           HA       LYS  38  13.331   8.707 -18.262
  271   1HB   LYS  38          HB2       LYS  38  11.001   7.009 -17.357
  272   2HB   LYS  38          HB3       LYS  38  12.708   6.616 -17.147
  273   1HG   LYS  38          HG2       LYS  38  11.325   9.007 -15.807
  274   2HG   LYS  38          HG3       LYS  38  11.450   7.413 -15.082
  275   1HD   LYS  38          HD2       LYS  38  13.911   7.640 -14.979
  276   2HD   LYS  38          HD3       LYS  38  13.825   9.096 -15.957
  277   1HE   LYS  38          HE2       LYS  38  14.119   9.836 -13.701
  278   2HE   LYS  38          HE3       LYS  38  12.489  10.246 -14.202
  279   1HZ   LYS  38          HZ1       LYS  38  12.582   9.284 -11.951
  280   2HZ   LYS  38          HZ2       LYS  38  11.671   8.367 -12.935
  281   3HZ   LYS  38          HZ3       LYS  38  13.199   7.908 -12.554
  282    H    SER  39           H        SER  39  10.638   8.849 -20.296
  283    HA   SER  39           HA       SER  39  10.131   7.995 -22.301
  284   1HB   SER  39          HB2       SER  39  13.173   7.924 -22.517
  285   2HB   SER  39          HB3       SER  39  12.016   8.048 -23.862
  286    HG   SER  39           HG       SER  39  12.449   9.929 -21.742
  287    H    HIS  40           H        HIS  40   9.755   5.968 -20.588
  288    HA   HIS  40           HA       HIS  40  11.097   3.531 -21.334
  289   1HB   HIS  40          HB2       HIS  40   9.242   4.363 -19.358
  290   2HB   HIS  40          HB3       HIS  40   8.380   3.181 -20.338
  291    HD1  HIS  40           HD1      HIS  40  11.360   3.415 -17.897
  292    HD2  HIS  40           HD2      HIS  40   9.372   0.708 -20.408
  293    HE1  HIS  40           HE1      HIS  40  12.204   1.116 -17.242
  294    H    THR  41           H        THR  41  11.053   2.916 -23.321
  295    HA   THR  41           HA       THR  41   9.005   3.769 -25.167
  296    HB   THR  41           HB       THR  41  11.225   2.132 -26.183
  297    HG1  THR  41           HG1      THR  41  11.949   4.328 -24.550
  298   1HG2  THR  41          1HG2      THR  41  10.610   5.104 -26.482
  299   2HG2  THR  41          2HG2      THR  41  11.705   4.111 -27.497
  300   3HG2  THR  41          3HG2      THR  41   9.958   3.813 -27.511
  301    H    HIS  42           H        HIS  42   8.899   1.069 -23.213
  302    HA   HIS  42           HA       HIS  42   8.543  -0.924 -25.276
  303   1HB   HIS  42          HB2       HIS  42   8.053  -1.090 -22.312
  304   2HB   HIS  42          HB3       HIS  42   8.366  -2.398 -23.455
  305    HD2  HIS  42           HD2      HIS  42  11.052  -1.176 -24.840
  306    HE1  HIS  42           HE1      HIS  42  12.622  -1.214 -20.878
  307    HE2  HIS  42           HE2      HIS  42  13.213  -1.105 -23.358
  308    H    LYS  43           H        LYS  43   6.608  -2.542 -24.894
  309    HA   LYS  43           HA       LYS  43   4.190  -0.980 -25.246
  310   1HB   LYS  43          HB2       LYS  43   4.764  -3.079 -26.590
  311   2HB   LYS  43          HB3       LYS  43   4.367  -4.019 -25.165
  312   1HG   LYS  43          HG2       LYS  43   2.182  -2.213 -25.418
  313   2HG   LYS  43          HG3       LYS  43   2.610  -2.547 -27.067
  314   1HD   LYS  43          HD2       LYS  43   0.920  -4.120 -26.458
  315   2HD   LYS  43          HD3       LYS  43   2.411  -5.020 -26.544
  316   1HE   LYS  43          HE2       LYS  43   1.301  -5.728 -24.547
  317   2HE   LYS  43          HE3       LYS  43   2.657  -4.724 -24.021
  318   1HZ   LYS  43          HZ1       LYS  43   0.849  -4.110 -22.779
  319   2HZ   LYS  43          HZ2       LYS  43   0.998  -2.883 -23.802
  320   3HZ   LYS  43          HZ3       LYS  43  -0.202  -3.983 -24.030
  321    H    MET  44           H        MET  44   3.840  -0.001 -23.302
  322    HA   MET  44           HA       MET  44   3.430  -1.580 -20.842
  323   1HB   MET  44          HB2       MET  44   3.315   1.364 -21.717
  324   2HB   MET  44          HB3       MET  44   2.739   0.885 -20.123
  325   1HG   MET  44          HG2       MET  44   4.717   0.205 -19.354
  326   2HG   MET  44          HG3       MET  44   5.481   0.001 -20.923
  327   1HE   MET  44          HE1       MET  44   6.147   1.268 -17.946
  328   2HE   MET  44          HE2       MET  44   6.150   3.052 -17.825
  329   3HE   MET  44          HE3       MET  44   4.615   2.133 -17.809
  330    H    VAL  45           H        VAL  45   1.394  -0.612 -19.657
  331    HA   VAL  45           HA       VAL  45  -1.105  -0.407 -21.102
  332    HB   VAL  45           HB       VAL  45  -2.076  -1.640 -19.198
  333   1HG1  VAL  45          1HG1      VAL  45  -1.728  -2.696 -21.478
  334   2HG1  VAL  45          2HG1      VAL  45  -0.223  -3.426 -20.848
  335   3HG1  VAL  45          3HG1      VAL  45  -1.798  -3.870 -20.140
  336   1HG2  VAL  45          1HG2      VAL  45   0.712  -2.579 -18.620
  337   2HG2  VAL  45          2HG2      VAL  45  -0.360  -1.618 -17.609
  338   3HG2  VAL  45          3HG2      VAL  45  -0.719  -3.349 -17.974
  339    H    LYS  46           H        LYS  46  -2.612   0.647 -19.192
  340    HA   LYS  46           HA       LYS  46  -1.053   2.264 -17.310
  341   1HB   LYS  46          HB2       LYS  46  -1.151   3.497 -19.535
  342   2HB   LYS  46          HB3       LYS  46  -2.887   3.534 -19.406
  343   1HG   LYS  46          HG2       LYS  46  -1.015   4.793 -17.336
  344   2HG   LYS  46          HG3       LYS  46  -1.628   5.616 -18.776
  345   1HD   LYS  46          HD2       LYS  46  -3.969   5.275 -17.936
  346   2HD   LYS  46          HD3       LYS  46  -3.275   4.672 -16.419
  347   1HE   LYS  46          HE2       LYS  46  -3.598   7.011 -16.065
  348   2HE   LYS  46          HE3       LYS  46  -1.855   6.803 -16.312
  349   1HZ   LYS  46          HZ1       LYS  46  -2.671   8.665 -17.568
  350   2HZ   LYS  46          HZ2       LYS  46  -2.301   7.537 -18.684
  351   3HZ   LYS  46          HZ3       LYS  46  -3.855   7.838 -18.211
  352    H    TRP  47           H        TRP  47  -2.227   2.449 -15.510
  353    HA   TRP  47           HA       TRP  47  -5.093   1.634 -15.572
  354   1HB   TRP  47          HB2       TRP  47  -3.101   0.912 -13.374
  355   2HB   TRP  47          HB3       TRP  47  -4.748   0.350 -13.558
  356    HD1  TRP  47           HD1      TRP  47  -1.255  -0.476 -14.398
  357    HE1  TRP  47           HE1      TRP  47  -1.051  -2.515 -15.899
  358    HE3  TRP  47           HE3      TRP  47  -6.066  -0.650 -16.077
  359    HZ2  TRP  47           HZ2      TRP  47  -2.753  -3.955 -17.781
  360    HZ3  TRP  47           HZ3      TRP  47  -6.678  -2.243 -17.899
  361    HH2  TRP  47           HH2      TRP  47  -5.051  -3.915 -18.706
  362    H    GLY  48           H        GLY  48  -6.183   3.482 -14.922
  363   1HA   GLY  48          HA2       GLY  48  -4.803   5.276 -13.005
  364   2HA   GLY  48          HA3       GLY  48  -5.440   5.885 -14.556
  365    H    LEU  49           H        LEU  49  -5.959   6.260 -11.630
  366    HA   LEU  49           HA       LEU  49  -8.886   5.994 -11.704
  367   1HB   LEU  49          HB2       LEU  49  -7.066   4.903  -9.529
  368   2HB   LEU  49          HB3       LEU  49  -8.760   5.203  -9.216
  369    HG   LEU  49           HG       LEU  49  -7.793   3.434 -11.512
  370   1HD1  LEU  49          1HD1      LEU  49  -8.221   1.535 -10.161
  371   2HD1  LEU  49          2HD1      LEU  49  -6.983   2.590  -9.442
  372   3HD1  LEU  49          3HD1      LEU  49  -8.667   2.583  -8.778
  373   1HD2  LEU  49          1HD2      LEU  49 -10.490   3.677 -10.119
  374   2HD2  LEU  49          2HD2      LEU  49 -10.130   4.221 -11.775
  375   3HD2  LEU  49          3HD2      LEU  49 -10.096   2.493 -11.401
  376    H    GLY  50           H        GLY  50  -6.428   8.243 -11.452
  377   1HA   GLY  50          HA2       GLY  50  -8.318  10.113 -10.295
  378   2HA   GLY  50          HA3       GLY  50  -6.934   9.805  -9.239
  379    H    LEU  51           H        LEU  51  -4.771   9.777 -10.964
  380    HA   LEU  51           HA       LEU  51  -4.830  12.444 -12.315
  381   1HB   LEU  51          HB2       LEU  51  -2.625  11.074 -10.730
  382   2HB   LEU  51          HB3       LEU  51  -2.430  12.583 -11.622
  383    HG   LEU  51           HG       LEU  51  -4.309  12.191  -9.253
  384   1HD1  LEU  51          1HD1      LEU  51  -1.666  13.685  -9.365
  385   2HD1  LEU  51          2HD1      LEU  51  -2.752  13.499  -7.956
  386   3HD1  LEU  51          3HD1      LEU  51  -1.930  12.087  -8.648
  387   1HD2  LEU  51          1HD2      LEU  51  -4.452  14.689  -9.247
  388   2HD2  LEU  51          2HD2      LEU  51  -3.573  14.712 -10.794
  389   3HD2  LEU  51          3HD2      LEU  51  -5.195  13.980 -10.678
  390    H    ASP  52           H        ASP  52  -5.431  11.416 -14.250
  391    HA   ASP  52           HA       ASP  52  -3.928   9.231 -15.361
  392   1HB   ASP  52          HB2       ASP  52  -6.434  10.079 -15.718
  393   2HB   ASP  52          HB3       ASP  52  -5.723  10.934 -17.071
  Start of MODEL    7
    1   1H    GLY   1           H1       GLY   1   4.076  -3.709 -10.387
    2   2H    GLY   1           H2       GLY   1   4.330  -2.130 -10.024
    3   3H    GLY   1           H3       GLY   1   5.421  -3.264  -9.560
    4   1HA   GLY   1          HA2       GLY   1   3.705  -4.309  -8.151
    5   2HA   GLY   1          HA3       GLY   1   4.126  -2.649  -7.658
    6    H    GLN   2           H        GLN   2   1.490  -4.393  -7.533
    7    HA   GLN   2           HA       GLN   2  -0.259  -2.171  -8.369
    8   1HB   GLN   2          HB2       GLN   2  -1.718  -3.749  -9.654
    9   2HB   GLN   2          HB3       GLN   2  -0.084  -3.584 -10.289
   10   1HG   GLN   2          HG2       GLN   2  -0.319  -5.801 -10.525
   11   2HG   GLN   2          HG3       GLN   2   0.361  -5.812  -8.898
   12   1HE2  GLN   2          2HE2      GLN   2  -1.300  -5.953  -7.043
   13   2HE2  GLN   2          1HE2      GLN   2  -2.737  -6.905  -7.369
   14    H    ASP   3           H        ASP   3  -2.385  -2.253  -7.628
   15    HA   ASP   3           HA       ASP   3  -3.260  -4.029  -5.483
   16   1HB   ASP   3          HB2       ASP   3  -1.905  -2.053  -4.454
   17   2HB   ASP   3          HB3       ASP   3  -3.233  -1.030  -5.031
   18    H    ARG   4           H        ARG   4  -5.570  -2.868  -4.878
   19    HA   ARG   4           HA       ARG   4  -7.072  -3.252  -7.295
   20   1HB   ARG   4          HB2       ARG   4  -9.041  -2.883  -5.861
   21   2HB   ARG   4          HB3       ARG   4  -7.950  -4.108  -5.253
   22   1HG   ARG   4          HG2       ARG   4  -7.282  -1.468  -4.137
   23   2HG   ARG   4          HG3       ARG   4  -8.973  -1.843  -3.881
   24   1HD   ARG   4          HD2       ARG   4  -7.462  -2.430  -2.049
   25   2HD   ARG   4          HD3       ARG   4  -8.522  -3.774  -2.567
   26    HE   ARG   4           HE       ARG   4  -5.606  -3.412  -2.887
   27   1HH1  ARG   4          2HH1      ARG   4  -8.299  -5.698  -2.820
   28   2HH1  ARG   4          1HH1      ARG   4  -7.290  -7.111  -2.874
   29   1HH2  ARG   4          1HH2      ARG   4  -4.324  -5.125  -2.886
   30   2HH2  ARG   4          2HH2      ARG   4  -4.853  -6.779  -2.826
   31    H    PHE   5           H        PHE   5  -6.006  -0.316  -5.641
   32    HA   PHE   5           HA       PHE   5  -6.741   1.201  -8.014
   33   1HB   PHE   5          HB2       PHE   5  -7.926   3.011  -6.689
   34   2HB   PHE   5          HB3       PHE   5  -8.813   1.520  -6.871
   35    HD1  PHE   5           HD1      PHE   5  -6.813   3.562  -4.485
   36    HD2  PHE   5           HD2      PHE   5  -9.541   0.266  -4.992
   37    HE1  PHE   5           HE1      PHE   5  -7.142   3.466  -2.031
   38    HE2  PHE   5           HE2      PHE   5  -9.938   0.211  -2.526
   39    HZ   PHE   5           HZ       PHE   5  -8.697   1.764  -1.053
   40    H    VAL   6           H        VAL   6  -4.337   0.287  -6.352
   41    HA   VAL   6           HA       VAL   6  -2.950   2.868  -6.204
   42    HB   VAL   6           HB       VAL   6  -3.518   0.874  -3.998
   43   1HG1  VAL   6          1HG1      VAL   6  -0.943   2.451  -4.113
   44   2HG1  VAL   6          2HG1      VAL   6  -1.572   1.537  -2.717
   45   3HG1  VAL   6          3HG1      VAL   6  -1.117   0.660  -4.194
   46   1HG2  VAL   6          1HG2      VAL   6  -4.606   3.108  -4.053
   47   2HG2  VAL   6          2HG2      VAL   6  -3.589   2.870  -2.630
   48   3HG2  VAL   6          3HG2      VAL   6  -3.012   3.879  -3.977
   49    H    TYR   7           H        TYR   7  -0.701   2.531  -6.588
   50    HA   TYR   7           HA       TYR   7   0.257  -0.069  -7.627
   51   1HB   TYR   7          HB2       TYR   7  -0.003   2.550  -9.168
   52   2HB   TYR   7          HB3       TYR   7   0.823   1.152  -9.749
   53    HD1  TYR   7           HD1      TYR   7  -0.791  -1.048  -9.978
   54    HD2  TYR   7           HD2      TYR   7  -2.250   2.949  -9.366
   55    HE1  TYR   7           HE1      TYR   7  -3.123  -1.863 -10.192
   56    HE2  TYR   7           HE2      TYR   7  -4.574   2.128  -9.508
   57    HH   TYR   7           HH       TYR   7  -5.328  -1.316  -9.686
   58    H    THR   8           H        THR   8   2.640   0.775  -8.734
   59    HA   THR   8           HA       THR   8   3.802   2.762  -6.849
   60    HB   THR   8           HB       THR   8   5.953   1.266  -7.497
   61    HG1  THR   8           HG1      THR   8   5.048  -0.312  -8.624
   62   1HG2  THR   8          1HG2      THR   8   5.566   1.684  -5.273
   63   2HG2  THR   8          2HG2      THR   8   3.998   0.810  -5.265
   64   3HG2  THR   8          3HG2      THR   8   5.562  -0.061  -5.381
   65    H    CYS   9           H        CYS   9   5.823   3.640  -7.809
   66    HA   CYS   9           HA       CYS   9   5.803   3.889 -10.796
   67   1HB   CYS   9          HB2       CYS   9   5.543   6.180  -9.803
   68   2HB   CYS   9          HB3       CYS   9   6.866   5.872  -8.699
   69    H    ASN  10           H        ASN  10   7.405   2.319 -11.294
   70    HA   ASN  10           HA       ASN  10   9.191   1.470  -9.262
   71   1HB   ASN  10          HB2       ASN  10   8.257  -0.058 -11.004
   72   2HB   ASN  10          HB3       ASN  10   9.426   0.639 -12.144
   73   1HD2  ASN  10          2HD2      ASN  10  11.102  -0.830 -12.272
   74   2HD2  ASN  10          1HD2      ASN  10  11.816  -1.657 -10.886
   75    H    GLU  11           H        GLU  11   9.258   4.345 -10.668
   76    HA   GLU  11           HA       GLU  11  12.170   4.357 -10.705
   77   1HB   GLU  11          HB2       GLU  11  10.279   5.909 -12.314
   78   2HB   GLU  11          HB3       GLU  11  11.512   6.883 -11.502
   79   1HG   GLU  11          HG2       GLU  11  12.220   4.370 -13.093
   80   2HG   GLU  11          HG3       GLU  11  12.291   5.996 -13.752
   81    H    CYS  12           H        CYS  12   9.262   5.564  -9.126
   82    HA   CYS  12           HA       CYS  12  10.945   7.170  -7.291
   83   1HB   CYS  12          HB2       CYS  12   7.958   6.630  -7.140
   84   2HB   CYS  12          HB3       CYS  12   8.884   7.830  -6.249
   85    H    LYS  13           H        LYS  13   9.554   4.021  -7.554
   86    HA   LYS  13           HA       LYS  13   9.241   2.189  -6.167
   87   1HB   LYS  13          HB2       LYS  13  11.824   3.379  -5.033
   88   2HB   LYS  13          HB3       LYS  13  11.051   2.031  -4.241
   89   1HG   LYS  13          HG2       LYS  13  12.889   1.311  -5.549
   90   2HG   LYS  13          HG3       LYS  13  11.377   0.543  -6.001
   91   1HD   LYS  13          HD2       LYS  13  12.984   1.062  -7.879
   92   2HD   LYS  13          HD3       LYS  13  11.330   1.609  -8.079
   93   1HE   LYS  13          HE2       LYS  13  11.812   3.769  -8.051
   94   2HE   LYS  13          HE3       LYS  13  13.159   3.654  -6.903
   95   1HZ   LYS  13          HZ1       LYS  13  13.241   2.957  -9.773
   96   2HZ   LYS  13          HZ2       LYS  13  13.750   4.339  -9.164
   97   3HZ   LYS  13          HZ3       LYS  13  14.572   2.973  -8.777
   98    H    HIS  14           H        HIS  14   7.689   4.374  -5.941
   99    HA   HIS  14           HA       HIS  14   6.866   4.362  -3.093
  100   1HB   HIS  14          HB2       HIS  14   8.055   6.454  -3.499
  101   2HB   HIS  14          HB3       HIS  14   7.124   6.719  -4.989
  102    HD2  HIS  14           HD2      HIS  14   5.418   8.548  -4.640
  103    HE1  HIS  14           HE1      HIS  14   3.839   7.396  -0.871
  104    HE2  HIS  14           HE2      HIS  14   3.569   8.970  -2.860
  105    H    HIS  15           H        HIS  15   4.623   4.898  -2.911
  106    HA   HIS  15           HA       HIS  15   3.001   3.415  -4.784
  107   1HB   HIS  15          HB2       HIS  15   2.608   4.623  -2.042
  108   2HB   HIS  15          HB3       HIS  15   1.190   4.291  -3.026
  109    HD2  HIS  15           HD2      HIS  15   1.101   1.649  -4.073
  110    HE1  HIS  15           HE1      HIS  15   2.563   0.080  -0.421
  111    HE2  HIS  15           HE2      HIS  15   1.235  -0.445  -2.528
  112    H    VAL  16           H        VAL  16   1.300   4.136  -5.954
  113    HA   VAL  16           HA       VAL  16   0.730   6.984  -6.293
  114    HB   VAL  16           HB       VAL  16   1.168   6.931  -8.669
  115   1HG1  VAL  16          1HG1      VAL  16   3.519   5.463  -7.431
  116   2HG1  VAL  16          2HG1      VAL  16   3.510   6.328  -8.948
  117   3HG1  VAL  16          3HG1      VAL  16   3.278   7.239  -7.445
  118   1HG2  VAL  16          1HG2      VAL  16   1.927   4.943  -9.924
  119   2HG2  VAL  16          2HG2      VAL  16   1.722   3.927  -8.490
  120   3HG2  VAL  16          3HG2      VAL  16   0.328   4.698  -9.253
  121    H    GLU  17           H        GLU  17  -1.348   7.068  -7.860
  122    HA   GLU  17           HA       GLU  17  -3.130   4.790  -7.145
  123   1HB   GLU  17          HB2       GLU  17  -4.910   6.570  -7.504
  124   2HB   GLU  17          HB3       GLU  17  -4.017   6.529  -5.985
  125   1HG   GLU  17          HG2       GLU  17  -4.318   8.904  -6.786
  126   2HG   GLU  17          HG3       GLU  17  -2.627   8.458  -6.668
  127    H    THR  18           H        THR  18  -1.712   6.648  -9.703
  128    HA   THR  18           HA       THR  18  -3.040   4.955 -11.737
  129    HB   THR  18           HB       THR  18  -2.489   7.975 -11.799
  130    HG1  THR  18           HG1      THR  18  -4.304   7.711 -10.740
  131   1HG2  THR  18          1HG2      THR  18  -4.168   7.463 -13.919
  132   2HG2  THR  18          2HG2      THR  18  -2.425   7.702 -14.064
  133   3HG2  THR  18          3HG2      THR  18  -3.086   6.080 -14.036
  134    H    ARG  19           H        ARG  19  -1.539   4.149 -13.266
  135    HA   ARG  19           HA       ARG  19   1.199   5.274 -13.287
  136   1HB   ARG  19          HB2       ARG  19   2.369   3.264 -12.782
  137   2HB   ARG  19          HB3       ARG  19   1.164   3.365 -11.489
  138   1HG   ARG  19          HG2       ARG  19  -0.261   1.773 -12.600
  139   2HG   ARG  19          HG3       ARG  19   0.820   1.651 -13.984
  140   1HD   ARG  19          HD2       ARG  19   2.346   0.325 -12.943
  141   2HD   ARG  19          HD3       ARG  19   1.959   0.841 -11.338
  142    HE   ARG  19           HE       ARG  19  -0.375  -0.264 -11.982
  143   1HH1  ARG  19          1HH2      ARG  19   2.817  -1.737 -12.172
  144   2HH1  ARG  19          2HH2      ARG  19   2.262  -3.260 -12.710
  145   1HH2  ARG  19          2HH1      ARG  19  -1.135  -2.402 -12.857
  146   2HH2  ARG  19          1HH1      ARG  19   0.093  -3.572 -13.171
  147    H    TRP  20           H        TRP  20   2.532   4.204 -14.874
  148    HA   TRP  20           HA       TRP  20   1.165   3.162 -17.293
  149   1HB   TRP  20          HB2       TRP  20   3.879   4.458 -16.858
  150   2HB   TRP  20          HB3       TRP  20   3.265   3.873 -18.388
  151    HD1  TRP  20           HD1      TRP  20   2.655   6.701 -15.890
  152    HE1  TRP  20           HE1      TRP  20   1.167   8.478 -16.902
  153    HE3  TRP  20           HE3      TRP  20   1.637   4.465 -20.346
  154    HZ2  TRP  20           HZ2      TRP  20  -0.470   8.830 -19.207
  155    HZ3  TRP  20           HZ3      TRP  20   0.053   5.546 -21.951
  156    HH2  TRP  20           HH2      TRP  20  -0.972   7.757 -21.429
  157    H    HIS  21           H        HIS  21   1.864   0.971 -17.723
  158    HA   HIS  21           HA       HIS  21   3.746  -0.215 -15.739
  159   1HB   HIS  21          HB2       HIS  21   1.781  -0.749 -14.720
  160   2HB   HIS  21          HB3       HIS  21   0.847  -0.774 -16.178
  161    HD2  HIS  21           HD2      HIS  21   3.922  -3.108 -15.980
  162    HE1  HIS  21           HE1      HIS  21   0.523  -5.597 -15.519
  163    HE2  HIS  21           HE2      HIS  21   3.035  -5.533 -15.836
  164    H    CYS  22           H        CYS  22   5.288  -1.259 -16.808
  165    HA   CYS  22           HA       CYS  22   5.230  -1.907 -19.613
  166   1HB   CYS  22          HB2       CYS  22   7.039  -1.872 -17.268
  167   2HB   CYS  22          HB3       CYS  22   7.364  -3.189 -18.378
  168    H    THR  23           H        THR  23   4.398  -3.567 -20.528
  169    HA   THR  23           HA       THR  23   3.959  -6.060 -18.966
  170    HB   THR  23           HB       THR  23   2.224  -6.713 -20.652
  171    HG1  THR  23           HG1      THR  23   3.115  -4.455 -21.824
  172   1HG2  THR  23          1HG2      THR  23   1.942  -4.046 -19.266
  173   2HG2  THR  23          2HG2      THR  23   0.593  -5.139 -19.672
  174   3HG2  THR  23          3HG2      THR  23   1.767  -5.619 -18.444
  175    H    VAL  24           H        VAL  24   6.282  -4.981 -20.372
  176    HA   VAL  24           HA       VAL  24   7.341  -7.117 -22.062
  177    HB   VAL  24           HB       VAL  24   7.418  -4.888 -22.928
  178   1HG1  VAL  24          1HG1      VAL  24   6.984  -3.150 -21.836
  179   2HG1  VAL  24          2HG1      VAL  24   7.348  -3.822 -20.287
  180   3HG1  VAL  24          3HG1      VAL  24   8.676  -3.159 -21.178
  181   1HG2  VAL  24          1HG2      VAL  24   9.627  -6.051 -23.009
  182   2HG2  VAL  24          2HG2      VAL  24   9.774  -4.273 -23.017
  183   3HG2  VAL  24          3HG2      VAL  24  10.112  -5.167 -21.533
  184    H    CYS  25           H        CYS  25   8.217  -4.905 -19.419
  185    HA   CYS  25           HA       CYS  25  10.189  -6.559 -18.169
  186   1HB   CYS  25          HB2       CYS  25   8.695  -4.208 -16.994
  187   2HB   CYS  25          HB3       CYS  25  10.331  -4.753 -16.590
  188    H    GLU  26           H        GLU  26   9.899  -7.063 -15.740
  189    HA   GLU  26           HA       GLU  26   7.417  -8.483 -15.255
  190   1HB   GLU  26          HB2       GLU  26  10.129  -8.304 -13.944
  191   2HB   GLU  26          HB3       GLU  26   8.761  -8.754 -12.927
  192   1HG   GLU  26          HG2       GLU  26   8.122 -10.574 -14.425
  193   2HG   GLU  26          HG3       GLU  26   9.488 -10.215 -15.485
  194    H    ASP  27           H        ASP  27   5.878  -6.963 -15.158
  195    HA   ASP  27           HA       ASP  27   4.591  -5.256 -14.356
  196   1HB   ASP  27          HB2       ASP  27   4.257  -7.269 -12.867
  197   2HB   ASP  27          HB3       ASP  27   5.380  -6.558 -11.722
  198    H    TYR  28           H        TYR  28   7.103  -4.301 -14.887
  199    HA   TYR  28           HA       TYR  28   7.988  -2.417 -12.878
  200   1HB   TYR  28          HB2       TYR  28   9.369  -3.305 -14.760
  201   2HB   TYR  28          HB3       TYR  28   8.391  -2.411 -15.898
  202    HD1  TYR  28           HD1      TYR  28  11.375  -2.312 -14.008
  203    HD2  TYR  28           HD2      TYR  28   8.296   0.189 -15.678
  204    HE1  TYR  28           HE1      TYR  28  12.898  -0.368 -13.847
  205    HE2  TYR  28           HE2      TYR  28   9.812   2.123 -15.559
  206    HH   TYR  28           HH       TYR  28  13.108   1.944 -14.194
  207    H    ASP  29           H        ASP  29   7.504  -0.205 -12.742
  208    HA   ASP  29           HA       ASP  29   5.014   0.677 -14.141
  209   1HB   ASP  29          HB2       ASP  29   5.611   1.718 -11.401
  210   2HB   ASP  29          HB3       ASP  29   4.074   1.383 -12.177
  211    H    LEU  30           H        LEU  30   4.699   3.006 -14.095
  212    HA   LEU  30           HA       LEU  30   6.822   4.689 -13.023
  213   1HB   LEU  30          HB2       LEU  30   5.928   4.667 -15.944
  214   2HB   LEU  30          HB3       LEU  30   6.686   6.038 -15.145
  215    HG   LEU  30           HG       LEU  30   7.934   3.290 -15.620
  216   1HD1  LEU  30          1HD1      LEU  30   7.833   4.774 -17.576
  217   2HD1  LEU  30          2HD1      LEU  30   8.773   6.013 -16.703
  218   3HD1  LEU  30          3HD1      LEU  30   9.501   4.443 -17.066
  219   1HD2  LEU  30          1HD2      LEU  30   9.343   5.728 -14.413
  220   2HD2  LEU  30          2HD2      LEU  30   8.846   4.319 -13.460
  221   3HD2  LEU  30          3HD2      LEU  30  10.064   4.138 -14.723
  222    H    CYS  31           H        CYS  31   5.900   6.478 -12.077
  223    HA   CYS  31           HA       CYS  31   3.051   6.962 -12.301
  224   1HB   CYS  31          HB2       CYS  31   3.550   9.025 -11.119
  225   2HB   CYS  31          HB3       CYS  31   4.292   7.677 -10.268
  226    H    ILE  32           H        ILE  32   2.295   9.144 -13.074
  227    HA   ILE  32           HA       ILE  32   2.678   9.296 -15.783
  228    HB   ILE  32           HB       ILE  32   1.812  11.625 -14.012
  229   1HG1  ILE  32          2HG1      ILE  32   0.399   9.748 -13.398
  230   2HG1  ILE  32          3HG1      ILE  32  -0.483  10.958 -14.299
  231   1HG2  ILE  32          1HG2      ILE  32   2.229  12.398 -16.225
  232   2HG2  ILE  32          2HG2      ILE  32   1.546  10.945 -16.957
  233   3HG2  ILE  32          3HG2      ILE  32   0.471  12.127 -16.161
  234   1HD1  ILE  32          1HD1      ILE  32  -1.312   8.998 -15.192
  235   2HD1  ILE  32          2HD1      ILE  32  -0.155   9.486 -16.382
  236   3HD1  ILE  32          3HD1      ILE  32   0.275   8.200 -15.202
  237    H    ASN  33           H        ASN  33   4.306  11.219 -13.276
  238    HA   ASN  33           HA       ASN  33   5.678  13.001 -15.081
  239   1HB   ASN  33          HB2       ASN  33   5.386  13.699 -12.785
  240   2HB   ASN  33          HB3       ASN  33   6.086  12.202 -12.152
  241   1HD2  ASN  33          2HD2      ASN  33   8.488  11.909 -12.226
  242   2HD2  ASN  33          1HD2      ASN  33   9.481  13.312 -12.560
  243    H    CYS  34           H        CYS  34   6.740   9.989 -13.441
  244    HA   CYS  34           HA       CYS  34   9.360  10.145 -14.588
  245   1HB   CYS  34          HB2       CYS  34   7.800   7.949 -13.202
  246   2HB   CYS  34          HB3       CYS  34   9.389   7.684 -13.960
  247    H    TYR  35           H        TYR  35   6.329   8.500 -15.600
  248    HA   TYR  35           HA       TYR  35   7.432   7.213 -17.874
  249   1HB   TYR  35          HB2       TYR  35   5.130   6.824 -17.104
  250   2HB   TYR  35          HB3       TYR  35   4.680   8.463 -17.555
  251    HD1  TYR  35           HD1      TYR  35   6.470   5.541 -19.127
  252    HD2  TYR  35           HD2      TYR  35   3.476   8.606 -19.597
  253    HE1  TYR  35           HE1      TYR  35   6.077   4.789 -21.434
  254    HE2  TYR  35           HE2      TYR  35   3.038   7.820 -21.917
  255    HH   TYR  35           HH       TYR  35   4.893   5.069 -23.334
  256    H    ASN  36           H        ASN  36   6.202  10.520 -17.468
  257    HA   ASN  36           HA       ASN  36   6.695  11.512 -20.061
  258   1HB   ASN  36          HB2       ASN  36   6.033  12.654 -17.360
  259   2HB   ASN  36          HB3       ASN  36   6.749  13.766 -18.473
  260   1HD2  ASN  36          2HD2      ASN  36   3.993  11.640 -18.002
  261   2HD2  ASN  36          1HD2      ASN  36   2.965  12.434 -19.228
  262    H    THR  37           H        THR  37   9.071  10.838 -17.580
  263    HA   THR  37           HA       THR  37  11.012  12.583 -19.018
  264    HB   THR  37           HB       THR  37  12.064  13.060 -16.803
  265    HG1  THR  37           HG1      THR  37   9.650  12.191 -15.652
  266   1HG2  THR  37          1HG2      THR  37   9.182  13.992 -17.017
  267   2HG2  THR  37          2HG2      THR  37  10.460  14.761 -16.056
  268   3HG2  THR  37          3HG2      THR  37  10.586  14.750 -17.809
  269    H    LYS  38           H        LYS  38  10.366   9.385 -18.360
  270    HA   LYS  38           HA       LYS  38  13.279   8.681 -18.349
  271   1HB   LYS  38          HB2       LYS  38  10.989   7.028 -17.214
  272   2HB   LYS  38          HB3       LYS  38  12.686   6.695 -17.081
  273   1HG   LYS  38          HG2       LYS  38  11.395   9.160 -15.812
  274   2HG   LYS  38          HG3       LYS  38  11.515   7.607 -15.035
  275   1HD   LYS  38          HD2       LYS  38  13.982   7.793 -15.002
  276   2HD   LYS  38          HD3       LYS  38  13.897   9.229 -16.032
  277   1HE   LYS  38          HE2       LYS  38  14.216   9.988 -13.750
  278   2HE   LYS  38          HE3       LYS  38  12.585  10.435 -14.290
  279   1HZ   LYS  38          HZ1       LYS  38  12.592   9.537 -12.056
  280   2HZ   LYS  38          HZ2       LYS  38  11.718   8.587 -13.013
  281   3HZ   LYS  38          HZ3       LYS  38  13.245   8.129 -12.583
  282    H    SER  39           H        SER  39  10.960   9.042 -20.468
  283    HA   SER  39           HA       SER  39  10.130   7.982 -22.296
  284   1HB   SER  39          HB2       SER  39  13.142   7.870 -22.636
  285   2HB   SER  39          HB3       SER  39  11.931   7.973 -23.946
  286    HG   SER  39           HG       SER  39  12.833  10.002 -23.360
  287    H    HIS  40           H        HIS  40   9.767   5.961 -20.523
  288    HA   HIS  40           HA       HIS  40  11.042   3.512 -21.327
  289   1HB   HIS  40          HB2       HIS  40   9.316   4.364 -19.283
  290   2HB   HIS  40          HB3       HIS  40   8.369   3.204 -20.211
  291    HD1  HIS  40           HD1      HIS  40  11.457   3.356 -17.927
  292    HD2  HIS  40           HD2      HIS  40   9.315   0.709 -20.369
  293    HE1  HIS  40           HE1      HIS  40  12.271   1.037 -17.309
  294    H    THR  41           H        THR  41  10.922   2.937 -23.366
  295    HA   THR  41           HA       THR  41   8.744   3.818 -25.035
  296    HB   THR  41           HB       THR  41  10.901   2.162 -26.209
  297    HG1  THR  41           HG1      THR  41  11.651   4.391 -24.650
  298   1HG2  THR  41          1HG2      THR  41   9.470   3.666 -27.558
  299   2HG2  THR  41          2HG2      THR  41  10.108   5.071 -26.695
  300   3HG2  THR  41          3HG2      THR  41  11.187   4.084 -27.701
  301    H    HIS  42           H        HIS  42   8.955   1.004 -23.187
  302    HA   HIS  42           HA       HIS  42   8.482  -0.908 -25.274
  303   1HB   HIS  42          HB2       HIS  42   8.009  -1.160 -22.306
  304   2HB   HIS  42          HB3       HIS  42   8.347  -2.453 -23.493
  305    HD2  HIS  42           HD2      HIS  42  11.017  -1.178 -24.818
  306    HE1  HIS  42           HE1      HIS  42  12.514  -1.184 -20.813
  307    HE2  HIS  42           HE2      HIS  42  13.160  -1.054 -23.290
  308    H    LYS  43           H        LYS  43   6.612  -2.513 -24.981
  309    HA   LYS  43           HA       LYS  43   4.133  -1.039 -25.297
  310   1HB   LYS  43          HB2       LYS  43   4.767  -3.111 -26.662
  311   2HB   LYS  43          HB3       LYS  43   4.407  -4.074 -25.217
  312   1HG   LYS  43          HG2       LYS  43   2.186  -2.324 -25.480
  313   2HG   LYS  43          HG3       LYS  43   2.612  -2.709 -27.150
  314   1HD   LYS  43          HD2       LYS  43   0.955  -4.254 -26.522
  315   2HD   LYS  43          HD3       LYS  43   2.462  -5.142 -26.579
  316   1HE   LYS  43          HE2       LYS  43   1.306  -5.851 -24.563
  317   2HE   LYS  43          HE3       LYS  43   2.679  -4.860 -24.054
  318   1HZ   LYS  43          HZ1       LYS  43  -0.179  -4.078 -24.098
  319   2HZ   LYS  43          HZ2       LYS  43   0.866  -4.250 -22.827
  320   3HZ   LYS  43          HZ3       LYS  43   1.056  -3.011 -23.818
  321    H    MET  44           H        MET  44   3.814  -0.098 -23.338
  322    HA   MET  44           HA       MET  44   3.416  -1.625 -20.862
  323   1HB   MET  44          HB2       MET  44   3.328   1.284 -21.798
  324   2HB   MET  44          HB3       MET  44   2.729   0.866 -20.187
  325   1HG   MET  44          HG2       MET  44   4.686   0.154 -19.414
  326   2HG   MET  44          HG3       MET  44   5.439  -0.119 -20.990
  327   1HE   MET  44          HE1       MET  44   6.187   2.997 -17.990
  328   2HE   MET  44          HE2       MET  44   4.651   2.092 -17.951
  329   3HE   MET  44          HE3       MET  44   6.184   1.219 -18.041
  330    H    VAL  45           H        VAL  45   1.353  -0.596 -19.718
  331    HA   VAL  45           HA       VAL  45  -1.123  -0.428 -21.198
  332    HB   VAL  45           HB       VAL  45  -2.106  -1.670 -19.279
  333   1HG1  VAL  45          1HG1      VAL  45  -1.838  -3.876 -20.209
  334   2HG1  VAL  45          2HG1      VAL  45  -1.790  -2.732 -21.533
  335   3HG1  VAL  45          3HG1      VAL  45  -0.257  -3.447 -20.932
  336   1HG2  VAL  45          1HG2      VAL  45  -0.718  -3.330 -18.041
  337   2HG2  VAL  45          2HG2      VAL  45   0.722  -2.582 -18.695
  338   3HG2  VAL  45          3HG2      VAL  45  -0.367  -1.621 -17.680
  339    H    LYS  46           H        LYS  46  -2.631   0.566 -19.169
  340    HA   LYS  46           HA       LYS  46  -1.050   2.242 -17.376
  341   1HB   LYS  46          HB2       LYS  46  -1.254   3.461 -19.592
  342   2HB   LYS  46          HB3       LYS  46  -2.994   3.470 -19.398
  343   1HG   LYS  46          HG2       LYS  46  -1.100   4.774 -17.376
  344   2HG   LYS  46          HG3       LYS  46  -1.638   5.562 -18.849
  345   1HD   LYS  46          HD2       LYS  46  -4.042   5.293 -18.012
  346   2HD   LYS  46          HD3       LYS  46  -3.374   4.684 -16.512
  347   1HE   LYS  46          HE2       LYS  46  -3.750   7.015 -16.221
  348   2HE   LYS  46          HE3       LYS  46  -1.994   6.825 -16.346
  349   1HZ   LYS  46          HZ1       LYS  46  -2.880   8.682 -17.637
  350   2HZ   LYS  46          HZ2       LYS  46  -2.244   7.582 -18.697
  351   3HZ   LYS  46          HZ3       LYS  46  -3.876   7.746 -18.435
  352    H    TRP  47           H        TRP  47  -2.221   2.433 -15.539
  353    HA   TRP  47           HA       TRP  47  -5.072   1.573 -15.585
  354   1HB   TRP  47          HB2       TRP  47  -3.048   0.915 -13.416
  355   2HB   TRP  47          HB3       TRP  47  -4.699   0.306 -13.550
  356    HD1  TRP  47           HD1      TRP  47  -1.223  -0.550 -14.427
  357    HE1  TRP  47           HE1      TRP  47  -1.077  -2.572 -15.969
  358    HE3  TRP  47           HE3      TRP  47  -6.071  -0.671 -16.049
  359    HZ2  TRP  47           HZ2      TRP  47  -2.771  -3.919 -17.873
  360    HZ3  TRP  47           HZ3      TRP  47  -6.696  -2.230 -17.884
  361    HH2  TRP  47           HH2      TRP  47  -5.095  -3.885 -18.739
  362    H    GLY  48           H        GLY  48  -6.278   3.250 -14.722
  363   1HA   GLY  48          HA2       GLY  48  -4.884   5.237 -13.071
  364   2HA   GLY  48          HA3       GLY  48  -5.635   5.756 -14.622
  365    H    LEU  49           H        LEU  49  -5.999   6.139 -11.660
  366    HA   LEU  49           HA       LEU  49  -8.822   5.340 -11.392
  367   1HB   LEU  49          HB2       LEU  49  -6.525   5.357  -9.457
  368   2HB   LEU  49          HB3       LEU  49  -8.144   5.514  -8.853
  369    HG   LEU  49           HG       LEU  49  -7.271   3.272  -8.763
  370   1HD1  LEU  49          1HD1      LEU  49  -9.694   3.712  -8.676
  371   2HD1  LEU  49          2HD1      LEU  49  -9.801   3.490 -10.456
  372   3HD1  LEU  49          3HD1      LEU  49  -9.321   2.143  -9.403
  373   1HD2  LEU  49          1HD2      LEU  49  -7.129   1.729 -10.503
  374   2HD2  LEU  49          2HD2      LEU  49  -7.736   2.864 -11.723
  375   3HD2  LEU  49          3HD2      LEU  49  -6.133   3.109 -10.985
  376    H    GLY  50           H        GLY  50  -6.436   8.025 -10.878
  377   1HA   GLY  50          HA2       GLY  50  -8.684   9.893 -10.881
  378   2HA   GLY  50          HA3       GLY  50  -7.825   9.746  -9.337
  379    H    LEU  51           H        LEU  51  -5.573   9.310 -11.871
  380    HA   LEU  51           HA       LEU  51  -5.000  12.167 -12.286
  381   1HB   LEU  51          HB2       LEU  51  -3.919  11.397 -10.121
  382   2HB   LEU  51          HB3       LEU  51  -3.068  10.161 -11.036
  383    HG   LEU  51           HG       LEU  51  -1.624  11.741 -12.082
  384   1HD1  LEU  51          1HD1      LEU  51  -1.833  14.196 -11.730
  385   2HD1  LEU  51          2HD1      LEU  51  -3.138  13.516 -12.701
  386   3HD1  LEU  51          3HD1      LEU  51  -3.424  13.945 -10.990
  387   1HD2  LEU  51          1HD2      LEU  51  -2.102  12.558  -9.180
  388   2HD2  LEU  51          2HD2      LEU  51  -1.200  11.145  -9.720
  389   3HD2  LEU  51          3HD2      LEU  51  -0.583  12.761 -10.093
  390    H    ASP  52           H        ASP  52  -6.068  10.712 -14.183
  391    HA   ASP  52           HA       ASP  52  -4.266   8.933 -15.523
  392   1HB   ASP  52          HB2       ASP  52  -6.879   9.044 -15.592
  393   2HB   ASP  52          HB3       ASP  52  -6.633  10.159 -16.930
  Start of MODEL    8
    1   1H    GLY   1           H1       GLY   1   5.351  -3.222  -9.582
    2   2H    GLY   1           H2       GLY   1   3.957  -3.596 -10.333
    3   3H    GLY   1           H3       GLY   1   4.245  -2.043  -9.909
    4   1HA   GLY   1          HA2       GLY   1   3.706  -4.320  -8.139
    5   2HA   GLY   1          HA3       GLY   1   4.173  -2.689  -7.561
    6    H    GLN   2           H        GLN   2   1.508  -4.468  -7.464
    7    HA   GLN   2           HA       GLN   2  -0.290  -2.260  -8.271
    8   1HB   GLN   2          HB2       GLN   2  -0.923  -5.207  -8.760
    9   2HB   GLN   2          HB3       GLN   2  -1.800  -3.788  -9.335
   10   1HG   GLN   2          HG2       GLN   2   0.464  -3.256 -10.599
   11   2HG   GLN   2          HG3       GLN   2   0.763  -4.988 -10.383
   12   1HE2  GLN   2          2HE2      GLN   2   0.750  -5.222 -12.701
   13   2HE2  GLN   2          1HE2      GLN   2  -0.784  -5.268 -13.570
   14    H    ASP   3           H        ASP   3  -2.446  -2.518  -7.561
   15    HA   ASP   3           HA       ASP   3  -3.339  -4.011  -5.263
   16   1HB   ASP   3          HB2       ASP   3  -1.955  -1.813  -4.476
   17   2HB   ASP   3          HB3       ASP   3  -3.447  -1.005  -4.980
   18    H    ARG   4           H        ARG   4  -5.708  -3.180  -4.968
   19    HA   ARG   4           HA       ARG   4  -7.036  -3.461  -7.376
   20   1HB   ARG   4          HB2       ARG   4  -9.069  -2.438  -5.985
   21   2HB   ARG   4          HB3       ARG   4  -8.388  -4.027  -5.705
   22   1HG   ARG   4          HG2       ARG   4  -8.900  -2.879  -3.619
   23   2HG   ARG   4          HG3       ARG   4  -7.211  -3.282  -3.713
   24   1HD   ARG   4          HD2       ARG   4  -7.449  -0.617  -4.750
   25   2HD   ARG   4          HD3       ARG   4  -8.570  -0.699  -3.368
   26    HE   ARG   4           HE       ARG   4  -5.970  -1.781  -2.778
   27   1HH1  ARG   4          1HH2      ARG   4  -7.578   1.347  -3.240
   28   2HH1  ARG   4          2HH2      ARG   4  -6.390   2.210  -2.330
   29   1HH2  ARG   4          1HH1      ARG   4  -4.374  -0.579  -1.726
   30   2HH2  ARG   4          2HH1      ARG   4  -4.580   1.076  -1.317
   31    H    PHE   5           H        PHE   5  -5.961  -0.358  -6.171
   32    HA   PHE   5           HA       PHE   5  -6.355   0.867  -8.712
   33   1HB   PHE   5          HB2       PHE   5  -7.789   2.757  -8.011
   34   2HB   PHE   5          HB3       PHE   5  -8.631   1.242  -8.110
   35    HD1  PHE   5           HD1      PHE   5  -7.308   3.809  -5.780
   36    HD2  PHE   5           HD2      PHE   5  -9.737   0.306  -6.218
   37    HE1  PHE   5           HE1      PHE   5  -8.221   4.204  -3.519
   38    HE2  PHE   5           HE2      PHE   5 -10.754   0.726  -3.958
   39    HZ   PHE   5           HZ       PHE   5 -10.026   2.699  -2.630
   40    H    VAL   6           H        VAL   6  -4.269   0.244  -6.759
   41    HA   VAL   6           HA       VAL   6  -2.983   2.834  -6.448
   42    HB   VAL   6           HB       VAL   6  -3.994   1.120  -4.203
   43   1HG1  VAL   6          1HG1      VAL   6  -2.112   1.594  -2.701
   44   2HG1  VAL   6          2HG1      VAL   6  -1.560   0.622  -4.049
   45   3HG1  VAL   6          3HG1      VAL   6  -1.225   2.379  -4.051
   46   1HG2  VAL   6          1HG2      VAL   6  -3.114   3.993  -4.433
   47   2HG2  VAL   6          2HG2      VAL   6  -4.766   3.357  -4.611
   48   3HG2  VAL   6          3HG2      VAL   6  -3.927   3.257  -3.030
   49    H    TYR   7           H        TYR   7  -0.802   2.532  -6.714
   50    HA   TYR   7           HA       TYR   7   0.179  -0.184  -7.307
   51   1HB   TYR   7          HB2       TYR   7   0.012   2.085  -9.283
   52   2HB   TYR   7          HB3       TYR   7   0.666   0.471  -9.564
   53    HD1  TYR   7           HD1      TYR   7  -0.808  -1.407 -10.086
   54    HD2  TYR   7           HD2      TYR   7  -2.488   2.466  -9.211
   55    HE1  TYR   7           HE1      TYR   7  -3.026  -2.158 -10.942
   56    HE2  TYR   7           HE2      TYR   7  -4.664   1.709  -9.907
   57    HH   TYR   7           HH       TYR   7  -5.903  -0.064 -11.037
   58    H    THR   8           H        THR   8   2.497   0.633  -8.626
   59    HA   THR   8           HA       THR   8   3.681   2.735  -6.843
   60    HB   THR   8           HB       THR   8   5.818   1.265  -7.452
   61    HG1  THR   8           HG1      THR   8   4.941  -0.278  -8.662
   62   1HG2  THR   8          1HG2      THR   8   3.819   0.464  -5.293
   63   2HG2  THR   8          2HG2      THR   8   5.527  -0.049  -5.363
   64   3HG2  THR   8          3HG2      THR   8   5.148   1.650  -5.159
   65    H    CYS   9           H        CYS   9   5.673   3.628  -7.793
   66    HA   CYS   9           HA       CYS   9   5.668   3.755 -10.790
   67   1HB   CYS   9          HB2       CYS   9   5.442   6.062  -9.838
   68   2HB   CYS   9          HB3       CYS   9   6.759   5.733  -8.699
   69    H    ASN  10           H        ASN  10   7.236   2.077 -11.204
   70    HA   ASN  10           HA       ASN  10   8.985   1.224  -9.130
   71   1HB   ASN  10          HB2       ASN  10   8.097  -0.203 -11.047
   72   2HB   ASN  10          HB3       ASN  10   9.378   0.571 -12.040
   73   1HD2  ASN  10          2HD2      ASN  10  10.920  -0.996 -12.218
   74   2HD2  ASN  10          1HD2      ASN  10  11.589  -1.908 -10.861
   75    H    GLU  11           H        GLU  11   9.141   4.101 -10.766
   76    HA   GLU  11           HA       GLU  11  12.056   4.094 -10.644
   77   1HB   GLU  11          HB2       GLU  11  10.165   5.585 -12.288
   78   2HB   GLU  11          HB3       GLU  11  11.379   6.609 -11.552
   79   1HG   GLU  11          HG2       GLU  11  12.083   3.998 -13.014
   80   2HG   GLU  11          HG3       GLU  11  12.177   5.573 -13.775
   81    H    CYS  12           H        CYS  12   9.219   5.319  -8.994
   82    HA   CYS  12           HA       CYS  12  10.939   6.993  -7.214
   83   1HB   CYS  12          HB2       CYS  12   7.926   6.620  -7.107
   84   2HB   CYS  12          HB3       CYS  12   8.934   7.799  -6.237
   85    H    LYS  13           H        LYS  13   9.362   3.941  -7.474
   86    HA   LYS  13           HA       LYS  13   8.940   2.201  -6.142
   87   1HB   LYS  13          HB2       LYS  13  11.672   2.996  -5.080
   88   2HB   LYS  13          HB3       LYS  13  10.777   1.615  -4.418
   89   1HG   LYS  13          HG2       LYS  13  11.557   0.333  -5.990
   90   2HG   LYS  13          HG3       LYS  13  10.523   1.145  -7.132
   91   1HD   LYS  13          HD2       LYS  13  13.478   1.459  -6.691
   92   2HD   LYS  13          HD3       LYS  13  12.532   1.077  -8.157
   93   1HE   LYS  13          HE2       LYS  13  11.631   3.446  -8.051
   94   2HE   LYS  13          HE3       LYS  13  12.853   3.795  -6.819
   95   1HZ   LYS  13          HZ1       LYS  13  13.596   4.417  -8.996
   96   2HZ   LYS  13          HZ2       LYS  13  14.534   3.179  -8.546
   97   3HZ   LYS  13          HZ3       LYS  13  13.298   2.964  -9.629
   98    H    HIS  14           H        HIS  14   7.545   4.313  -5.797
   99    HA   HIS  14           HA       HIS  14   6.641   4.057  -3.010
  100   1HB   HIS  14          HB2       HIS  14   7.865   6.147  -3.091
  101   2HB   HIS  14          HB3       HIS  14   6.949   6.669  -4.528
  102    HD2  HIS  14           HD2      HIS  14   4.942   8.187  -4.020
  103    HE1  HIS  14           HE1      HIS  14   3.709   6.613  -0.281
  104    HE2  HIS  14           HE2      HIS  14   3.206   8.329  -2.088
  105    H    HIS  15           H        HIS  15   4.424   4.720  -2.863
  106    HA   HIS  15           HA       HIS  15   2.825   3.417  -4.820
  107   1HB   HIS  15          HB2       HIS  15   2.267   4.804  -2.189
  108   2HB   HIS  15          HB3       HIS  15   0.929   4.331  -3.223
  109    HD2  HIS  15           HD2      HIS  15   0.848   1.622  -3.989
  110    HE1  HIS  15           HE1      HIS  15   2.470   0.364  -0.262
  111    HE2  HIS  15           HE2      HIS  15   1.177  -0.387  -2.332
  112    H    VAL  16           H        VAL  16   1.201   4.198  -6.132
  113    HA   VAL  16           HA       VAL  16   0.734   7.074  -6.459
  114    HB   VAL  16           HB       VAL  16   1.199   6.973  -8.846
  115   1HG1  VAL  16          1HG1      VAL  16   3.550   6.396  -9.009
  116   2HG1  VAL  16          2HG1      VAL  16   3.215   7.330  -7.513
  117   3HG1  VAL  16          3HG1      VAL  16   3.514   5.594  -7.443
  118   1HG2  VAL  16          1HG2      VAL  16   2.030   4.914  -9.996
  119   2HG2  VAL  16          2HG2      VAL  16   1.716   3.970  -8.520
  120   3HG2  VAL  16          3HG2      VAL  16   0.394   4.705  -9.452
  121    H    GLU  17           H        GLU  17  -1.392   7.482  -7.549
  122    HA   GLU  17           HA       GLU  17  -3.250   5.205  -7.229
  123   1HB   GLU  17          HB2       GLU  17  -4.950   6.692  -7.321
  124   2HB   GLU  17          HB3       GLU  17  -3.722   7.556  -6.421
  125   1HG   GLU  17          HG2       GLU  17  -4.729   8.030  -9.232
  126   2HG   GLU  17          HG3       GLU  17  -4.812   9.129  -7.878
  127    H    THR  18           H        THR  18  -1.797   7.205  -9.855
  128    HA   THR  18           HA       THR  18  -2.818   5.184 -11.785
  129    HB   THR  18           HB       THR  18  -2.314   8.148 -12.213
  130    HG1  THR  18           HG1      THR  18  -3.918   8.319 -11.070
  131   1HG2  THR  18          1HG2      THR  18  -2.458   6.557 -14.313
  132   2HG2  THR  18          2HG2      THR  18  -4.193   6.527 -13.938
  133   3HG2  THR  18          3HG2      THR  18  -3.381   8.058 -14.286
  134    H    ARG  19           H        ARG  19  -1.445   4.356 -13.276
  135    HA   ARG  19           HA       ARG  19   1.315   5.478 -13.471
  136   1HB   ARG  19          HB2       ARG  19   2.343   3.437 -12.931
  137   2HB   ARG  19          HB3       ARG  19   1.081   3.609 -11.715
  138   1HG   ARG  19          HG2       ARG  19  -0.356   2.178 -13.537
  139   2HG   ARG  19          HG3       ARG  19   1.267   1.653 -14.024
  140   1HD   ARG  19          HD2       ARG  19   1.083   1.615 -11.211
  141   2HD   ARG  19          HD3       ARG  19  -0.396   0.854 -11.837
  142    HE   ARG  19           HE       ARG  19   2.362  -0.144 -11.952
  143   1HH1  ARG  19          1HH1      ARG  19  -1.058  -1.031 -12.680
  144   2HH1  ARG  19          2HH1      ARG  19  -0.563  -2.595 -13.167
  145   1HH2  ARG  19          1HH2      ARG  19   2.834  -2.100 -12.330
  146   2HH2  ARG  19          2HH2      ARG  19   1.770  -3.291 -12.896
  147    H    TRP  20           H        TRP  20   2.608   4.232 -15.021
  148    HA   TRP  20           HA       TRP  20   1.268   3.204 -17.477
  149   1HB   TRP  20          HB2       TRP  20   3.919   4.587 -17.025
  150   2HB   TRP  20          HB3       TRP  20   3.325   3.960 -18.580
  151    HD1  TRP  20           HD1      TRP  20   2.714   6.762 -16.034
  152    HE1  TRP  20           HE1      TRP  20   1.135   8.516 -16.968
  153    HE3  TRP  20           HE3      TRP  20   1.706   4.567 -20.494
  154    HZ2  TRP  20           HZ2      TRP  20  -0.549   8.862 -19.320
  155    HZ3  TRP  20           HZ3      TRP  20   0.143   5.632 -22.115
  156    HH2  TRP  20           HH2      TRP  20  -0.983   7.796 -21.529
  157    H    HIS  21           H        HIS  21   1.896   1.049 -17.842
  158    HA   HIS  21           HA       HIS  21   3.767  -0.170 -15.875
  159   1HB   HIS  21          HB2       HIS  21   1.736  -0.473 -14.901
  160   2HB   HIS  21          HB3       HIS  21   0.835  -0.581 -16.369
  161    HD2  HIS  21           HD2      HIS  21   3.780  -2.983 -16.064
  162    HE1  HIS  21           HE1      HIS  21   0.300  -5.359 -15.550
  163    HE2  HIS  21           HE2      HIS  21   2.829  -5.407 -15.788
  164    H    CYS  22           H        CYS  22   5.287  -1.226 -16.929
  165    HA   CYS  22           HA       CYS  22   5.292  -1.916 -19.724
  166   1HB   CYS  22          HB2       CYS  22   7.026  -1.847 -17.333
  167   2HB   CYS  22          HB3       CYS  22   7.388  -3.194 -18.375
  168    H    THR  23           H        THR  23   4.551  -3.629 -20.646
  169    HA   THR  23           HA       THR  23   4.011  -6.039 -19.010
  170    HB   THR  23           HB       THR  23   2.309  -6.704 -20.784
  171    HG1  THR  23           HG1      THR  23   3.310  -4.452 -21.927
  172   1HG2  THR  23          1HG2      THR  23   1.999  -4.045 -19.404
  173   2HG2  THR  23          2HG2      THR  23   0.657  -5.139 -19.897
  174   3HG2  THR  23          3HG2      THR  23   1.773  -5.631 -18.622
  175    H    VAL  24           H        VAL  24   6.414  -5.018 -20.390
  176    HA   VAL  24           HA       VAL  24   7.461  -7.209 -22.015
  177    HB   VAL  24           HB       VAL  24   7.574  -5.014 -22.933
  178   1HG1  VAL  24          1HG1      VAL  24   8.817  -3.229 -21.233
  179   2HG1  VAL  24          2HG1      VAL  24   7.102  -3.255 -21.800
  180   3HG1  VAL  24          3HG1      VAL  24   7.564  -3.928 -20.254
  181   1HG2  VAL  24          1HG2      VAL  24  10.226  -5.190 -21.481
  182   2HG2  VAL  24          2HG2      VAL  24   9.813  -6.168 -22.933
  183   3HG2  VAL  24          3HG2      VAL  24   9.919  -4.387 -23.019
  184    H    CYS  25           H        CYS  25   8.416  -4.987 -19.442
  185    HA   CYS  25           HA       CYS  25  10.353  -6.587 -18.123
  186   1HB   CYS  25          HB2       CYS  25   8.814  -4.220 -17.052
  187   2HB   CYS  25          HB3       CYS  25  10.461  -4.712 -16.628
  188    H    GLU  26           H        GLU  26  10.031  -6.870 -15.625
  189    HA   GLU  26           HA       GLU  26   7.634  -8.446 -15.097
  190   1HB   GLU  26          HB2       GLU  26  10.273  -8.046 -13.750
  191   2HB   GLU  26          HB3       GLU  26   8.889  -8.448 -12.721
  192   1HG   GLU  26          HG2       GLU  26   8.365 -10.392 -14.060
  193   2HG   GLU  26          HG3       GLU  26   9.742 -10.072 -15.129
  194    H    ASP  27           H        ASP  27   6.007  -6.978 -15.132
  195    HA   ASP  27           HA       ASP  27   4.589  -5.331 -14.487
  196   1HB   ASP  27          HB2       ASP  27   4.287  -7.247 -12.877
  197   2HB   ASP  27          HB3       ASP  27   5.347  -6.443 -11.745
  198    H    TYR  28           H        TYR  28   7.086  -4.306 -14.946
  199    HA   TYR  28           HA       TYR  28   7.942  -2.407 -12.955
  200   1HB   TYR  28          HB2       TYR  28   9.363  -3.326 -14.801
  201   2HB   TYR  28          HB3       TYR  28   8.396  -2.444 -15.955
  202    HD1  TYR  28           HD1      TYR  28  11.329  -2.305 -13.920
  203    HD2  TYR  28           HD2      TYR  28   8.350   0.125 -15.874
  204    HE1  TYR  28           HE1      TYR  28  12.846  -0.353 -13.821
  205    HE2  TYR  28           HE2      TYR  28   9.829   2.048 -15.802
  206    HH   TYR  28           HH       TYR  28  13.142   1.899 -14.403
  207    H    ASP  29           H        ASP  29   7.415  -0.196 -12.775
  208    HA   ASP  29           HA       ASP  29   5.039   0.729 -14.325
  209   1HB   ASP  29          HB2       ASP  29   5.422   1.684 -11.521
  210   2HB   ASP  29          HB3       ASP  29   3.928   1.305 -12.362
  211    H    LEU  30           H        LEU  30   4.754   3.037 -14.233
  212    HA   LEU  30           HA       LEU  30   6.905   4.671 -13.089
  213   1HB   LEU  30          HB2       LEU  30   6.004   4.699 -15.998
  214   2HB   LEU  30          HB3       LEU  30   6.803   6.030 -15.203
  215    HG   LEU  30           HG       LEU  30   7.963   3.240 -15.723
  216   1HD1  LEU  30          1HD1      LEU  30   9.554   4.457 -17.136
  217   2HD1  LEU  30          2HD1      LEU  30   7.866   4.810 -17.621
  218   3HD1  LEU  30          3HD1      LEU  30   8.783   6.006 -16.687
  219   1HD2  LEU  30          1HD2      LEU  30   8.915   4.167 -13.542
  220   2HD2  LEU  30          2HD2      LEU  30  10.125   4.039 -14.793
  221   3HD2  LEU  30          3HD2      LEU  30   9.406   5.611 -14.431
  222    H    CYS  31           H        CYS  31   5.934   6.410 -12.082
  223    HA   CYS  31           HA       CYS  31   3.131   6.930 -12.275
  224   1HB   CYS  31          HB2       CYS  31   3.683   9.037 -11.162
  225   2HB   CYS  31          HB3       CYS  31   4.399   7.713 -10.284
  226    H    ILE  32           H        ILE  32   2.367   9.154 -13.058
  227    HA   ILE  32           HA       ILE  32   2.765   9.278 -15.806
  228    HB   ILE  32           HB       ILE  32   1.928  11.623 -14.067
  229   1HG1  ILE  32          2HG1      ILE  32   0.542   9.906 -13.226
  230   2HG1  ILE  32          3HG1      ILE  32  -0.434  10.874 -14.297
  231   1HG2  ILE  32          1HG2      ILE  32   1.326  10.840 -16.953
  232   2HG2  ILE  32          2HG2      ILE  32   0.580  12.208 -16.075
  233   3HG2  ILE  32          3HG2      ILE  32   2.311  12.197 -16.359
  234   1HD1  ILE  32          1HD1      ILE  32  -0.309   9.147 -16.033
  235   2HD1  ILE  32          2HD1      ILE  32   0.684   8.120 -14.936
  236   3HD1  ILE  32          3HD1      ILE  32  -0.957   8.524 -14.505
  237    H    ASN  33           H        ASN  33   4.341  11.261 -13.270
  238    HA   ASN  33           HA       ASN  33   5.717  12.983 -15.075
  239   1HB   ASN  33          HB2       ASN  33   5.434  13.737 -12.813
  240   2HB   ASN  33          HB3       ASN  33   5.999  12.214 -12.131
  241   1HD2  ASN  33          2HD2      ASN  33   8.309  11.770 -11.994
  242   2HD2  ASN  33          1HD2      ASN  33   9.440  13.088 -12.158
  243    H    CYS  34           H        CYS  34   6.687   9.916 -13.529
  244    HA   CYS  34           HA       CYS  34   9.364  10.059 -14.593
  245   1HB   CYS  34          HB2       CYS  34   7.734   7.869 -13.289
  246   2HB   CYS  34          HB3       CYS  34   9.294   7.549 -14.098
  247    H    TYR  35           H        TYR  35   6.319   8.495 -15.692
  248    HA   TYR  35           HA       TYR  35   7.444   7.215 -17.959
  249   1HB   TYR  35          HB2       TYR  35   5.142   6.843 -17.180
  250   2HB   TYR  35          HB3       TYR  35   4.703   8.478 -17.641
  251    HD1  TYR  35           HD1      TYR  35   6.228   5.394 -19.146
  252    HD2  TYR  35           HD2      TYR  35   3.723   8.846 -19.742
  253    HE1  TYR  35           HE1      TYR  35   5.758   4.634 -21.456
  254    HE2  TYR  35           HE2      TYR  35   3.247   8.102 -22.066
  255    HH   TYR  35           HH       TYR  35   4.711   5.109 -23.408
  256    H    ASN  36           H        ASN  36   6.100  10.478 -17.570
  257    HA   ASN  36           HA       ASN  36   6.577  11.563 -20.101
  258   1HB   ASN  36          HB2       ASN  36   6.125  12.662 -17.298
  259   2HB   ASN  36          HB3       ASN  36   6.476  13.759 -18.556
  260   1HD2  ASN  36          2HD2      ASN  36   4.328  14.669 -18.133
  261   2HD2  ASN  36          1HD2      ASN  36   2.942  13.896 -18.897
  262    H    THR  37           H        THR  37   9.043  10.693 -17.890
  263    HA   THR  37           HA       THR  37  10.900  12.644 -19.201
  264    HB   THR  37           HB       THR  37  12.179  12.598 -17.036
  265    HG1  THR  37           HG1      THR  37   9.725  11.923 -15.854
  266   1HG2  THR  37          1HG2      THR  37  10.898  14.570 -17.703
  267   2HG2  THR  37          2HG2      THR  37   9.430  13.926 -16.948
  268   3HG2  THR  37          3HG2      THR  37  10.841  14.336 -15.955
  269    H    LYS  38           H        LYS  38  10.758   9.620 -17.372
  270    HA   LYS  38           HA       LYS  38  13.278   8.620 -18.249
  271   1HB   LYS  38          HB2       LYS  38  10.917   6.995 -17.285
  272   2HB   LYS  38          HB3       LYS  38  12.600   6.553 -17.141
  273   1HG   LYS  38          HG2       LYS  38  11.270   8.884 -15.628
  274   2HG   LYS  38          HG3       LYS  38  11.515   7.274 -14.995
  275   1HD   LYS  38          HD2       LYS  38  13.920   7.594 -14.970
  276   2HD   LYS  38          HD3       LYS  38  13.781   9.054 -15.974
  277   1HE   LYS  38          HE2       LYS  38  14.203   9.683 -13.663
  278   2HE   LYS  38          HE3       LYS  38  12.573  10.208 -14.153
  279   1HZ   LYS  38          HZ1       LYS  38  12.685   9.163 -11.914
  280   2HZ   LYS  38          HZ2       LYS  38  11.649   8.404 -12.905
  281   3HZ   LYS  38          HZ3       LYS  38  13.129   7.759 -12.607
  282    H    SER  39           H        SER  39  10.326   8.920 -19.990
  283    HA   SER  39           HA       SER  39   9.576   8.114 -21.937
  284   1HB   SER  39          HB2       SER  39  12.548   8.418 -22.579
  285   2HB   SER  39          HB3       SER  39  11.176   8.568 -23.714
  286    HG   SER  39           HG       SER  39  11.857  10.218 -21.504
  287    H    HIS  40           H        HIS  40   9.577   5.957 -20.423
  288    HA   HIS  40           HA       HIS  40  11.021   3.688 -21.416
  289   1HB   HIS  40          HB2       HIS  40   9.206   4.266 -19.317
  290   2HB   HIS  40          HB3       HIS  40   8.404   3.041 -20.289
  291    HD1  HIS  40           HD1      HIS  40  11.511   3.405 -18.032
  292    HD2  HIS  40           HD2      HIS  40   9.417   0.655 -20.397
  293    HE1  HIS  40           HE1      HIS  40  12.371   1.079 -17.377
  294    H    THR  41           H        THR  41  10.820   2.892 -23.352
  295    HA   THR  41           HA       THR  41   8.544   3.722 -24.978
  296    HB   THR  41           HB       THR  41  10.802   2.358 -26.298
  297    HG1  THR  41           HG1      THR  41  11.391   4.649 -24.760
  298   1HG2  THR  41          1HG2      THR  41   9.214   3.777 -27.530
  299   2HG2  THR  41          2HG2      THR  41   9.692   5.189 -26.558
  300   3HG2  THR  41          3HG2      THR  41  10.851   4.394 -27.673
  301    H    HIS  42           H        HIS  42   8.769   0.972 -23.115
  302    HA   HIS  42           HA       HIS  42   8.569  -0.965 -25.269
  303   1HB   HIS  42          HB2       HIS  42   8.176  -1.291 -22.316
  304   2HB   HIS  42          HB3       HIS  42   8.594  -2.546 -23.487
  305    HD2  HIS  42           HD2      HIS  42  11.141  -0.924 -24.836
  306    HE1  HIS  42           HE1      HIS  42  12.693  -0.864 -20.878
  307    HE2  HIS  42           HE2      HIS  42  13.270  -0.604 -23.337
  308    H    LYS  43           H        LYS  43   6.943  -2.774 -24.800
  309    HA   LYS  43           HA       LYS  43   4.370  -1.649 -25.352
  310   1HB   LYS  43          HB2       LYS  43   5.429  -3.808 -26.259
  311   2HB   LYS  43          HB3       LYS  43   4.923  -4.592 -24.767
  312   1HG   LYS  43          HG2       LYS  43   2.962  -2.949 -26.404
  313   2HG   LYS  43          HG3       LYS  43   3.443  -4.545 -26.985
  314   1HD   LYS  43          HD2       LYS  43   1.654  -5.262 -25.864
  315   2HD   LYS  43          HD3       LYS  43   2.725  -5.227 -24.456
  316   1HE   LYS  43          HE2       LYS  43   1.975  -2.807 -24.142
  317   2HE   LYS  43          HE3       LYS  43   0.755  -3.079 -25.367
  318   1HZ   LYS  43          HZ1       LYS  43  -0.180  -4.790 -23.894
  319   2HZ   LYS  43          HZ2       LYS  43   1.033  -4.499 -22.795
  320   3HZ   LYS  43          HZ3       LYS  43  -0.063  -3.335 -23.135
  321    H    MET  44           H        MET  44   3.576  -0.502 -23.726
  322    HA   MET  44           HA       MET  44   3.325  -1.659 -20.987
  323   1HB   MET  44          HB2       MET  44   3.420   1.162 -22.146
  324   2HB   MET  44          HB3       MET  44   2.809   0.864 -20.504
  325   1HG   MET  44          HG2       MET  44   4.680   0.074 -19.671
  326   2HG   MET  44          HG3       MET  44   5.499  -0.212 -21.218
  327   1HE   MET  44          HE1       MET  44   6.203   1.171 -18.228
  328   2HE   MET  44          HE2       MET  44   6.259   2.946 -18.243
  329   3HE   MET  44          HE3       MET  44   4.702   2.105 -18.217
  330    H    VAL  45           H        VAL  45   1.373  -0.622 -19.811
  331    HA   VAL  45           HA       VAL  45  -1.114  -0.336 -21.279
  332    HB   VAL  45           HB       VAL  45  -2.123  -1.576 -19.421
  333   1HG1  VAL  45          1HG1      VAL  45  -1.817  -3.804 -20.306
  334   2HG1  VAL  45          2HG1      VAL  45  -1.731  -2.657 -21.671
  335   3HG1  VAL  45          3HG1      VAL  45  -0.234  -3.378 -20.998
  336   1HG2  VAL  45          1HG2      VAL  45   0.690  -2.628 -18.855
  337   2HG2  VAL  45          2HG2      VAL  45  -0.266  -1.547 -17.820
  338   3HG2  VAL  45          3HG2      VAL  45  -0.786  -3.222 -18.104
  339    H    LYS  46           H        LYS  46  -2.615   0.816 -19.392
  340    HA   LYS  46           HA       LYS  46  -0.999   2.430 -17.545
  341   1HB   LYS  46          HB2       LYS  46  -0.850   3.747 -19.557
  342   2HB   LYS  46          HB3       LYS  46  -2.533   3.471 -19.956
  343   1HG   LYS  46          HG2       LYS  46  -1.957   4.895 -17.365
  344   2HG   LYS  46          HG3       LYS  46  -1.610   5.728 -18.884
  345   1HD   LYS  46          HD2       LYS  46  -3.944   5.288 -19.636
  346   2HD   LYS  46          HD3       LYS  46  -4.326   4.597 -18.047
  347   1HE   LYS  46          HE2       LYS  46  -3.899   6.644 -16.934
  348   2HE   LYS  46          HE3       LYS  46  -3.173   7.394 -18.374
  349   1HZ   LYS  46          HZ1       LYS  46  -5.988   6.579 -18.084
  350   2HZ   LYS  46          HZ2       LYS  46  -5.484   8.074 -18.012
  351   3HZ   LYS  46          HZ3       LYS  46  -5.373   7.293 -19.437
  352    H    TRP  47           H        TRP  47  -2.227   2.930 -15.789
  353    HA   TRP  47           HA       TRP  47  -5.122   2.370 -15.774
  354   1HB   TRP  47          HB2       TRP  47  -3.253   1.140 -13.766
  355   2HB   TRP  47          HB3       TRP  47  -4.918   0.673 -14.063
  356    HD1  TRP  47           HD1      TRP  47  -1.412  -0.206 -14.717
  357    HE1  TRP  47           HE1      TRP  47  -1.217  -2.328 -16.093
  358    HE3  TRP  47           HE3      TRP  47  -6.160  -0.316 -16.638
  359    HZ2  TRP  47           HZ2      TRP  47  -2.900  -3.808 -17.979
  360    HZ3  TRP  47           HZ3      TRP  47  -6.777  -2.040 -18.327
  361    HH2  TRP  47           HH2      TRP  47  -5.165  -3.811 -18.960
  362    H    GLY  48           H        GLY  48  -5.985   2.887 -13.487
  363   1HA   GLY  48          HA2       GLY  48  -4.437   3.762 -11.463
  364   2HA   GLY  48          HA3       GLY  48  -4.741   5.255 -12.400
  365    H    LEU  49           H        LEU  49  -7.151   5.087 -13.297
  366    HA   LEU  49           HA       LEU  49  -9.342   5.290 -12.944
  367   1HB   LEU  49          HB2       LEU  49  -9.230   4.029 -10.223
  368   2HB   LEU  49          HB3       LEU  49 -10.575   4.154 -11.338
  369    HG   LEU  49           HG       LEU  49  -8.153   2.331 -11.624
  370   1HD1  LEU  49          1HD1      LEU  49 -11.123   1.742 -11.408
  371   2HD1  LEU  49          2HD1      LEU  49  -9.787   0.561 -11.396
  372   3HD1  LEU  49          3HD1      LEU  49  -9.967   1.706 -10.042
  373   1HD2  LEU  49          1HD2      LEU  49  -9.231   1.439 -13.686
  374   2HD2  LEU  49          2HD2      LEU  49 -10.457   2.699 -13.607
  375   3HD2  LEU  49          3HD2      LEU  49  -8.765   3.133 -13.898
  376    H    GLY  50           H        GLY  50  -7.036   6.905 -11.165
  377   1HA   GLY  50          HA2       GLY  50  -9.094   8.646  -9.842
  378   2HA   GLY  50          HA3       GLY  50  -7.473   8.334  -9.209
  379    H    LEU  51           H        LEU  51  -6.356   8.553 -12.046
  380    HA   LEU  51           HA       LEU  51  -6.667  11.386 -12.720
  381   1HB   LEU  51          HB2       LEU  51  -4.842  10.898 -10.924
  382   2HB   LEU  51          HB3       LEU  51  -3.980  10.028 -12.207
  383    HG   LEU  51           HG       LEU  51  -3.709  12.096 -13.486
  384   1HD1  LEU  51          1HD1      LEU  51  -5.684  13.389 -12.824
  385   2HD1  LEU  51          2HD1      LEU  51  -5.197  13.337 -11.125
  386   3HD1  LEU  51          3HD1      LEU  51  -4.229  14.259 -12.320
  387   1HD2  LEU  51          1HD2      LEU  51  -2.132  13.142 -11.855
  388   2HD2  LEU  51          2HD2      LEU  51  -2.890  12.197 -10.537
  389   3HD2  LEU  51          3HD2      LEU  51  -2.025  11.375 -11.823
  390    H    ASP  52           H        ASP  52  -7.641   8.982 -13.815
  391    HA   ASP  52           HA       ASP  52  -5.875   7.911 -15.834
  392   1HB   ASP  52          HB2       ASP  52  -8.035   6.932 -14.366
  393   2HB   ASP  52          HB3       ASP  52  -8.777   7.251 -15.922
  Start of MODEL    9
    1   1H    GLY   1           H1       GLY   1   4.107  -2.188  -9.888
    2   2H    GLY   1           H2       GLY   1   5.196  -3.325  -9.407
    3   3H    GLY   1           H3       GLY   1   3.909  -3.725 -10.372
    4   1HA   GLY   1          HA2       GLY   1   3.382  -4.483  -8.223
    5   2HA   GLY   1          HA3       GLY   1   3.783  -2.852  -7.578
    6    H    GLN   2           H        GLN   2   1.092  -4.503  -7.576
    7    HA   GLN   2           HA       GLN   2  -0.519  -2.216  -8.334
    8   1HB   GLN   2          HB2       GLN   2  -2.048  -3.753  -9.751
    9   2HB   GLN   2          HB3       GLN   2  -0.599  -3.014 -10.447
   10   1HG   GLN   2          HG2       GLN   2   0.628  -5.167 -10.233
   11   2HG   GLN   2          HG3       GLN   2  -0.858  -5.921  -9.599
   12   1HE2  GLN   2          2HE2      GLN   2   0.875  -5.882 -12.405
   13   2HE2  GLN   2          1HE2      GLN   2  -0.442  -6.013 -13.547
   14    H    ASP   3           H        ASP   3  -2.581  -2.274  -7.647
   15    HA   ASP   3           HA       ASP   3  -3.693  -4.257  -5.795
   16   1HB   ASP   3          HB2       ASP   3  -2.503  -2.640  -4.335
   17   2HB   ASP   3          HB3       ASP   3  -3.180  -1.279  -5.246
   18    H    ARG   4           H        ARG   4  -6.127  -3.454  -5.544
   19    HA   ARG   4           HA       ARG   4  -7.132  -3.093  -8.203
   20   1HB   ARG   4          HB2       ARG   4  -9.399  -2.781  -6.940
   21   2HB   ARG   4          HB3       ARG   4  -8.623  -4.330  -7.105
   22   1HG   ARG   4          HG2       ARG   4  -9.563  -4.071  -4.893
   23   2HG   ARG   4          HG3       ARG   4  -7.812  -4.285  -4.835
   24   1HD   ARG   4          HD2       ARG   4  -8.153  -1.492  -4.847
   25   2HD   ARG   4          HD3       ARG   4  -9.530  -2.053  -3.892
   26    HE   ARG   4           HE       ARG   4  -6.693  -2.094  -3.302
   27   1HH1  ARG   4          2HH2      ARG   4  -9.784  -3.267  -2.150
   28   2HH1  ARG   4          1HH2      ARG   4  -9.142  -4.038  -0.730
   29   1HH2  ARG   4          2HH1      ARG   4  -5.798  -3.292  -1.726
   30   2HH2  ARG   4          1HH1      ARG   4  -6.703  -4.001  -0.424
   31    H    PHE   5           H        PHE   5  -6.127  -0.656  -5.934
   32    HA   PHE   5           HA       PHE   5  -6.815   1.303  -7.960
   33   1HB   PHE   5          HB2       PHE   5  -7.929   2.859  -6.325
   34   2HB   PHE   5          HB3       PHE   5  -8.843   1.525  -6.953
   35    HD1  PHE   5           HD1      PHE   5  -6.425   1.305  -4.024
   36    HD2  PHE   5           HD2      PHE   5 -10.544   1.303  -5.342
   37    HE1  PHE   5           HE1      PHE   5  -7.137   0.718  -1.765
   38    HE2  PHE   5           HE2      PHE   5 -11.255   0.679  -3.054
   39    HZ   PHE   5           HZ       PHE   5  -9.549   0.406  -1.239
   40    H    VAL   6           H        VAL   6  -4.460   0.045  -6.300
   41    HA   VAL   6           HA       VAL   6  -3.036   2.576  -6.073
   42    HB   VAL   6           HB       VAL   6  -3.600   0.598  -3.898
   43   1HG1  VAL   6          1HG1      VAL   6  -0.752   1.676  -4.137
   44   2HG1  VAL   6          2HG1      VAL   6  -1.493   0.963  -2.694
   45   3HG1  VAL   6          3HG1      VAL   6  -1.274  -0.021  -4.148
   46   1HG2  VAL   6          1HG2      VAL   6  -2.697   3.477  -4.013
   47   2HG2  VAL   6          2HG2      VAL   6  -4.376   2.904  -3.933
   48   3HG2  VAL   6          3HG2      VAL   6  -3.286   2.626  -2.558
   49    H    TYR   7           H        TYR   7  -0.801   2.289  -6.440
   50    HA   TYR   7           HA       TYR   7   0.167  -0.128  -7.773
   51   1HB   TYR   7          HB2       TYR   7  -0.187   2.635  -9.031
   52   2HB   TYR   7          HB3       TYR   7   0.641   1.292  -9.778
   53    HD1  TYR   7           HD1      TYR   7  -0.878  -0.883 -10.090
   54    HD2  TYR   7           HD2      TYR   7  -2.477   2.960  -9.104
   55    HE1  TYR   7           HE1      TYR   7  -3.181  -1.715 -10.633
   56    HE2  TYR   7           HE2      TYR   7  -4.757   2.120  -9.454
   57    HH   TYR   7           HH       TYR   7  -5.436  -1.244 -10.352
   58    H    THR   8           H        THR   8   2.449   0.914  -8.820
   59    HA   THR   8           HA       THR   8   3.679   2.725  -6.839
   60    HB   THR   8           HB       THR   8   5.773   1.144  -7.505
   61    HG1  THR   8           HG1      THR   8   4.857  -0.436  -8.598
   62   1HG2  THR   8          1HG2      THR   8   5.402   1.549  -5.260
   63   2HG2  THR   8          2HG2      THR   8   3.808   0.704  -5.257
   64   3HG2  THR   8          3HG2      THR   8   5.336  -0.204  -5.405
   65    H    CYS   9           H        CYS   9   5.779   3.564  -7.805
   66    HA   CYS   9           HA       CYS   9   5.775   3.773 -10.765
   67   1HB   CYS   9          HB2       CYS   9   5.483   6.061  -9.851
   68   2HB   CYS   9          HB3       CYS   9   6.807   5.804  -8.704
   69    H    ASN  10           H        ASN  10   7.333   2.121 -11.168
   70    HA   ASN  10           HA       ASN  10   9.179   1.383  -9.108
   71   1HB   ASN  10          HB2       ASN  10   8.247  -0.187 -10.857
   72   2HB   ASN  10          HB3       ASN  10   9.359   0.578 -12.028
   73   1HD2  ASN  10          2HD2      ASN  10  11.072  -0.883 -12.284
   74   2HD2  ASN  10          1HD2      ASN  10  11.871  -1.687 -10.933
   75    H    GLU  11           H        GLU  11   9.181   4.192 -10.812
   76    HA   GLU  11           HA       GLU  11  12.097   4.285 -10.799
   77   1HB   GLU  11          HB2       GLU  11  10.133   5.655 -12.421
   78   2HB   GLU  11          HB3       GLU  11  11.243   6.774 -11.640
   79   1HG   GLU  11          HG2       GLU  11  12.137   4.271 -13.179
   80   2HG   GLU  11          HG3       GLU  11  12.110   5.902 -13.852
   81    H    CYS  12           H        CYS  12   9.297   5.389  -9.036
   82    HA   CYS  12           HA       CYS  12  11.044   7.049  -7.289
   83   1HB   CYS  12          HB2       CYS  12   8.033   6.668  -7.199
   84   2HB   CYS  12          HB3       CYS  12   8.988   7.860  -6.294
   85    H    LYS  13           H        LYS  13   9.503   4.014  -7.551
   86    HA   LYS  13           HA       LYS  13   8.994   2.260  -6.214
   87   1HB   LYS  13          HB2       LYS  13  11.754   2.986  -5.122
   88   2HB   LYS  13          HB3       LYS  13  10.863   1.567  -4.583
   89   1HG   LYS  13          HG2       LYS  13  11.629   0.378  -6.270
   90   2HG   LYS  13          HG3       LYS  13  10.643   1.346  -7.341
   91   1HD   LYS  13          HD2       LYS  13  13.604   1.661  -6.768
   92   2HD   LYS  13          HD3       LYS  13  12.737   1.253  -8.273
   93   1HE   LYS  13          HE2       LYS  13  11.690   3.584  -8.115
   94   2HE   LYS  13          HE3       LYS  13  12.932   3.977  -6.925
   95   1HZ   LYS  13          HZ1       LYS  13  13.333   3.109  -9.717
   96   2HZ   LYS  13          HZ2       LYS  13  13.565   4.596  -9.161
   97   3HZ   LYS  13          HZ3       LYS  13  14.596   3.404  -8.701
   98    H    HIS  14           H        HIS  14   7.666   4.410  -5.794
   99    HA   HIS  14           HA       HIS  14   6.763   3.979  -3.029
  100   1HB   HIS  14          HB2       HIS  14   7.869   6.205  -3.012
  101   2HB   HIS  14          HB3       HIS  14   6.920   6.708  -4.404
  102    HD2  HIS  14           HD2      HIS  14   4.734   7.944  -3.839
  103    HE1  HIS  14           HE1      HIS  14   3.720   6.129  -0.148
  104    HE2  HIS  14           HE2      HIS  14   2.943   7.719  -1.976
  105    H    HIS  15           H        HIS  15   4.493   4.683  -2.902
  106    HA   HIS  15           HA       HIS  15   2.984   3.283  -4.871
  107   1HB   HIS  15          HB2       HIS  15   1.738   2.936  -3.037
  108   2HB   HIS  15          HB3       HIS  15   2.663   4.081  -2.109
  109    HD2  HIS  15           HD2      HIS  15  -0.487   3.850  -4.315
  110    HE1  HIS  15           HE1      HIS  15  -0.817   7.511  -2.180
  111    HE2  HIS  15           HE2      HIS  15  -2.011   5.936  -3.768
  112    H    VAL  16           H        VAL  16   1.228   4.022  -6.058
  113    HA   VAL  16           HA       VAL  16   0.746   6.867  -6.407
  114    HB   VAL  16           HB       VAL  16   1.166   6.906  -8.816
  115   1HG1  VAL  16          1HG1      VAL  16   3.574   5.470  -7.619
  116   2HG1  VAL  16          2HG1      VAL  16   3.479   6.412  -9.086
  117   3HG1  VAL  16          3HG1      VAL  16   3.219   7.211  -7.509
  118   1HG2  VAL  16          1HG2      VAL  16   0.412   4.676  -9.471
  119   2HG2  VAL  16          2HG2      VAL  16   2.055   4.951 -10.057
  120   3HG2  VAL  16          3HG2      VAL  16   1.797   3.928  -8.633
  121    H    GLU  17           H        GLU  17  -1.394   7.139  -7.635
  122    HA   GLU  17           HA       GLU  17  -3.188   4.804  -7.133
  123   1HB   GLU  17          HB2       GLU  17  -4.942   6.652  -7.650
  124   2HB   GLU  17          HB3       GLU  17  -4.210   6.528  -6.055
  125   1HG   GLU  17          HG2       GLU  17  -4.410   8.887  -6.794
  126   2HG   GLU  17          HG3       GLU  17  -2.740   8.405  -6.497
  127    H    THR  18           H        THR  18  -1.667   6.701  -9.602
  128    HA   THR  18           HA       THR  18  -3.002   5.095 -11.716
  129    HB   THR  18           HB       THR  18  -2.422   8.089 -11.635
  130    HG1  THR  18           HG1      THR  18  -4.199   7.941 -10.613
  131   1HG2  THR  18          1HG2      THR  18  -2.743   8.133 -13.933
  132   2HG2  THR  18          2HG2      THR  18  -2.790   6.356 -13.946
  133   3HG2  THR  18          3HG2      THR  18  -4.266   7.305 -13.724
  134    H    ARG  19           H        ARG  19  -1.518   4.116 -13.061
  135    HA   ARG  19           HA       ARG  19   1.224   5.219 -13.161
  136   1HB   ARG  19          HB2       ARG  19   2.335   3.173 -12.775
  137   2HB   ARG  19          HB3       ARG  19   1.196   3.331 -11.416
  138   1HG   ARG  19          HG2       ARG  19  -0.354   1.757 -12.475
  139   2HG   ARG  19          HG3       ARG  19   0.687   1.622 -13.903
  140   1HD   ARG  19          HD2       ARG  19   2.246   0.317 -12.919
  141   2HD   ARG  19          HD3       ARG  19   1.816   0.708 -11.272
  142    HE   ARG  19           HE       ARG  19  -0.500  -0.364 -12.080
  143   1HH1  ARG  19          1HH2      ARG  19   2.726  -1.812 -12.119
  144   2HH1  ARG  19          2HH2      ARG  19   2.195  -3.326 -12.706
  145   1HH2  ARG  19          1HH1      ARG  19  -1.189  -2.449 -12.962
  146   2HH2  ARG  19          2HH1      ARG  19   0.049  -3.612 -13.288
  147    H    TRP  20           H        TRP  20   2.476   4.135 -14.795
  148    HA   TRP  20           HA       TRP  20   1.053   3.134 -17.195
  149   1HB   TRP  20          HB2       TRP  20   3.711   4.547 -16.837
  150   2HB   TRP  20          HB3       TRP  20   3.049   3.958 -18.373
  151    HD1  TRP  20           HD1      TRP  20   2.497   6.670 -15.729
  152    HE1  TRP  20           HE1      TRP  20   0.925   8.487 -16.598
  153    HE3  TRP  20           HE3      TRP  20   1.330   4.589 -20.181
  154    HZ2  TRP  20           HZ2      TRP  20  -0.635   8.995 -18.979
  155    HZ3  TRP  20           HZ3      TRP  20  -0.238   5.708 -21.770
  156    HH2  TRP  20           HH2      TRP  20  -1.224   7.936 -21.168
  157    H    HIS  21           H        HIS  21   1.750   0.970 -17.675
  158    HA   HIS  21           HA       HIS  21   3.700  -0.224 -15.745
  159   1HB   HIS  21          HB2       HIS  21   1.733  -0.746 -14.714
  160   2HB   HIS  21          HB3       HIS  21   0.787  -0.780 -16.170
  161    HD2  HIS  21           HD2      HIS  21   3.891  -3.039 -15.972
  162    HE1  HIS  21           HE1      HIS  21   0.504  -5.593 -15.834
  163    HE2  HIS  21           HE2      HIS  21   3.047  -5.493 -16.050
  164    H    CYS  22           H        CYS  22   5.262  -1.223 -16.790
  165    HA   CYS  22           HA       CYS  22   5.277  -1.773 -19.598
  166   1HB   CYS  22          HB2       CYS  22   7.009  -1.743 -17.221
  167   2HB   CYS  22          HB3       CYS  22   7.371  -3.120 -18.258
  168    H    THR  23           H        THR  23   4.491  -3.400 -20.593
  169    HA   THR  23           HA       THR  23   3.932  -5.931 -19.129
  170    HB   THR  23           HB       THR  23   2.226  -6.461 -20.879
  171    HG1  THR  23           HG1      THR  23   3.230  -4.030 -21.774
  172   1HG2  THR  23          1HG2      THR  23   1.900  -3.771 -19.608
  173   2HG2  THR  23          2HG2      THR  23   0.579  -4.896 -20.024
  174   3HG2  THR  23          3HG2      THR  23   1.692  -5.295 -18.703
  175    H    VAL  24           H        VAL  24   6.341  -5.046 -20.155
  176    HA   VAL  24           HA       VAL  24   7.433  -7.056 -22.015
  177    HB   VAL  24           HB       VAL  24   7.376  -4.793 -22.808
  178   1HG1  VAL  24          1HG1      VAL  24   8.745  -3.145 -21.010
  179   2HG1  VAL  24          2HG1      VAL  24   7.074  -3.037 -21.653
  180   3HG1  VAL  24          3HG1      VAL  24   7.398  -3.840 -20.157
  181   1HG2  VAL  24          1HG2      VAL  24   9.591  -5.994 -23.016
  182   2HG2  VAL  24          2HG2      VAL  24   9.802  -4.222 -22.957
  183   3HG2  VAL  24          3HG2      VAL  24  10.102  -5.175 -21.510
  184    H    CYS  25           H        CYS  25   8.370  -4.858 -19.386
  185    HA   CYS  25           HA       CYS  25  10.285  -6.583 -18.139
  186   1HB   CYS  25          HB2       CYS  25   8.770  -4.227 -16.973
  187   2HB   CYS  25          HB3       CYS  25  10.365  -4.790 -16.496
  188    H    GLU  26           H        GLU  26   9.942  -7.031 -15.660
  189    HA   GLU  26           HA       GLU  26   7.448  -8.502 -15.267
  190   1HB   GLU  26          HB2       GLU  26  10.114  -8.393 -13.894
  191   2HB   GLU  26          HB3       GLU  26   8.730  -8.759 -12.881
  192   1HG   GLU  26          HG2       GLU  26   8.054 -10.584 -14.416
  193   2HG   GLU  26          HG3       GLU  26   9.475 -10.277 -15.420
  194    H    ASP  27           H        ASP  27   5.866  -6.960 -15.140
  195    HA   ASP  27           HA       ASP  27   4.575  -5.296 -14.352
  196   1HB   ASP  27          HB2       ASP  27   4.250  -7.287 -12.858
  197   2HB   ASP  27          HB3       ASP  27   5.313  -6.549 -11.688
  198    H    TYR  28           H        TYR  28   7.030  -4.268 -14.876
  199    HA   TYR  28           HA       TYR  28   7.940  -2.458 -12.829
  200   1HB   TYR  28          HB2       TYR  28   9.367  -3.307 -14.683
  201   2HB   TYR  28          HB3       TYR  28   8.349  -2.489 -15.846
  202    HD1  TYR  28           HD1      TYR  28  11.353  -2.255 -13.937
  203    HD2  TYR  28           HD2      TYR  28   8.213   0.094 -15.724
  204    HE1  TYR  28           HE1      TYR  28  12.804  -0.273 -13.852
  205    HE2  TYR  28           HE2      TYR  28   9.669   2.088 -15.680
  206    HH   TYR  28           HH       TYR  28  12.970   2.016 -14.311
  207    H    ASP  29           H        ASP  29   7.394  -0.251 -12.623
  208    HA   ASP  29           HA       ASP  29   4.907   0.629 -14.064
  209   1HB   ASP  29          HB2       ASP  29   5.520   1.650 -11.319
  210   2HB   ASP  29          HB3       ASP  29   4.008   1.357 -12.102
  211    H    LEU  30           H        LEU  30   4.628   2.985 -14.095
  212    HA   LEU  30           HA       LEU  30   6.812   4.623 -13.052
  213   1HB   LEU  30          HB2       LEU  30   5.812   4.678 -15.929
  214   2HB   LEU  30          HB3       LEU  30   6.615   6.003 -15.134
  215    HG   LEU  30           HG       LEU  30   7.772   3.253 -15.733
  216   1HD1  LEU  30          1HD1      LEU  30   7.552   4.840 -17.672
  217   2HD1  LEU  30          2HD1      LEU  30   8.596   5.971 -16.802
  218   3HD1  LEU  30          3HD1      LEU  30   9.235   4.385 -17.268
  219   1HD2  LEU  30          1HD2      LEU  30   8.792   4.159 -13.611
  220   2HD2  LEU  30          2HD2      LEU  30   9.972   4.180 -14.946
  221   3HD2  LEU  30          3HD2      LEU  30   9.137   5.664 -14.448
  222    H    CYS  31           H        CYS  31   5.913   6.458 -12.046
  223    HA   CYS  31           HA       CYS  31   3.107   6.965 -12.229
  224   1HB   CYS  31          HB2       CYS  31   3.616   9.024 -11.075
  225   2HB   CYS  31          HB3       CYS  31   4.393   7.740 -10.227
  226    H    ILE  32           H        ILE  32   2.444   9.191 -12.938
  227    HA   ILE  32           HA       ILE  32   2.675   9.379 -15.676
  228    HB   ILE  32           HB       ILE  32   2.002  11.665 -13.788
  229   1HG1  ILE  32          2HG1      ILE  32   0.684  10.008 -12.821
  230   2HG1  ILE  32          3HG1      ILE  32  -0.412  10.872 -13.858
  231   1HG2  ILE  32          1HG2      ILE  32   2.127  12.278 -16.088
  232   2HG2  ILE  32          2HG2      ILE  32   1.005  10.964 -16.561
  233   3HG2  ILE  32          3HG2      ILE  32   0.432  12.318 -15.558
  234   1HD1  ILE  32          1HD1      ILE  32  -0.497   9.055 -15.441
  235   2HD1  ILE  32          2HD1      ILE  32   0.848   8.196 -14.634
  236   3HD1  ILE  32          3HD1      ILE  32  -0.664   8.372 -13.794
  237    H    ASN  33           H        ASN  33   4.430  11.290 -13.221
  238    HA   ASN  33           HA       ASN  33   5.686  13.025 -15.104
  239   1HB   ASN  33          HB2       ASN  33   5.650  13.770 -12.800
  240   2HB   ASN  33          HB3       ASN  33   6.222  12.214 -12.187
  241   1HD2  ASN  33          2HD2      ASN  33   8.528  11.720 -12.246
  242   2HD2  ASN  33          1HD2      ASN  33   9.673  13.010 -12.562
  243    H    CYS  34           H        CYS  34   6.753   9.983 -13.566
  244    HA   CYS  34           HA       CYS  34   9.341  10.071 -14.783
  245   1HB   CYS  34          HB2       CYS  34   7.749   7.855 -13.450
  246   2HB   CYS  34          HB3       CYS  34   9.372   7.633 -14.159
  247    H    TYR  35           H        TYR  35   6.289   8.440 -15.718
  248    HA   TYR  35           HA       TYR  35   7.239   7.181 -18.060
  249   1HB   TYR  35          HB2       TYR  35   5.068   6.681 -17.234
  250   2HB   TYR  35          HB3       TYR  35   4.541   8.363 -17.313
  251    HD1  TYR  35           HD1      TYR  35   5.713   5.548 -19.542
  252    HD2  TYR  35           HD2      TYR  35   3.242   9.066 -19.112
  253    HE1  TYR  35           HE1      TYR  35   4.725   5.159 -21.787
  254    HE2  TYR  35           HE2      TYR  35   2.268   8.676 -21.337
  255    HH   TYR  35           HH       TYR  35   2.246   7.290 -23.175
  256    H    ASN  36           H        ASN  36   6.070  10.509 -17.549
  257    HA   ASN  36           HA       ASN  36   6.288  11.459 -20.187
  258   1HB   ASN  36          HB2       ASN  36   5.947  12.582 -17.454
  259   2HB   ASN  36          HB3       ASN  36   6.643  13.713 -18.556
  260   1HD2  ASN  36          2HD2      ASN  36   3.808  11.758 -17.905
  261   2HD2  ASN  36          1HD2      ASN  36   2.736  12.583 -19.047
  262    H    THR  37           H        THR  37   8.920  10.742 -17.993
  263    HA   THR  37           HA       THR  37  10.699  12.553 -19.614
  264    HB   THR  37           HB       THR  37  12.009  12.852 -17.508
  265    HG1  THR  37           HG1      THR  37   9.667  12.076 -16.161
  266   1HG2  THR  37          1HG2      THR  37  10.443  14.599 -18.322
  267   2HG2  THR  37          2HG2      THR  37   9.132  13.880 -17.353
  268   3HG2  THR  37          3HG2      THR  37  10.543  14.567 -16.545
  269    H    LYS  38           H        LYS  38  10.659   9.641 -17.598
  270    HA   LYS  38           HA       LYS  38  13.302   8.798 -18.208
  271   1HB   LYS  38          HB2       LYS  38  10.985   7.069 -17.307
  272   2HB   LYS  38          HB3       LYS  38  12.691   6.762 -17.025
  273   1HG   LYS  38          HG2       LYS  38  11.211   9.131 -15.773
  274   2HG   LYS  38          HG3       LYS  38  11.424   7.567 -15.028
  275   1HD   LYS  38          HD2       LYS  38  13.860   7.884 -14.954
  276   2HD   LYS  38          HD3       LYS  38  13.705   9.361 -15.932
  277   1HE   LYS  38          HE2       LYS  38  14.026  10.006 -13.619
  278   2HE   LYS  38          HE3       LYS  38  12.400  10.459 -14.145
  279   1HZ   LYS  38          HZ1       LYS  38  13.063   8.063 -12.581
  280   2HZ   LYS  38          HZ2       LYS  38  12.500   9.431 -11.912
  281   3HZ   LYS  38          HZ3       LYS  38  11.535   8.607 -12.918
  282    H    SER  39           H        SER  39  10.761   8.933 -20.317
  283    HA   SER  39           HA       SER  39  10.205   7.994 -22.274
  284   1HB   SER  39          HB2       SER  39  13.237   8.046 -22.560
  285   2HB   SER  39          HB3       SER  39  12.048   8.177 -23.862
  286    HG   SER  39           HG       SER  39  12.531  10.018 -21.752
  287    H    HIS  40           H        HIS  40   9.850   5.963 -20.628
  288    HA   HIS  40           HA       HIS  40  11.266   3.553 -21.305
  289   1HB   HIS  40          HB2       HIS  40   9.280   4.389 -19.456
  290   2HB   HIS  40          HB3       HIS  40   8.504   3.158 -20.445
  291    HD1  HIS  40           HD1      HIS  40  11.418   3.491 -17.985
  292    HD2  HIS  40           HD2      HIS  40   9.416   0.704 -20.367
  293    HE1  HIS  40           HE1      HIS  40  12.228   1.185 -17.220
  294    H    THR  41           H        THR  41  11.262   2.789 -23.300
  295    HA   THR  41           HA       THR  41   9.206   3.646 -25.125
  296    HB   THR  41           HB       THR  41  11.457   2.053 -26.169
  297    HG1  THR  41           HG1      THR  41  12.055   4.293 -24.547
  298   1HG2  THR  41          1HG2      THR  41  10.613   4.955 -26.590
  299   2HG2  THR  41          2HG2      THR  41  11.872   4.086 -27.504
  300   3HG2  THR  41          3HG2      THR  41  10.179   3.557 -27.594
  301    H    HIS  42           H        HIS  42   8.961   1.059 -23.169
  302    HA   HIS  42           HA       HIS  42   8.637  -0.992 -25.220
  303   1HB   HIS  42          HB2       HIS  42   8.212  -1.130 -22.234
  304   2HB   HIS  42          HB3       HIS  42   8.531  -2.450 -23.387
  305    HD2  HIS  42           HD2      HIS  42  11.221  -1.199 -24.719
  306    HE1  HIS  42           HE1      HIS  42  12.699  -1.179 -20.734
  307    HE2  HIS  42           HE2      HIS  42  13.349  -1.123 -23.195
  308    H    LYS  43           H        LYS  43   6.770  -2.536 -24.849
  309    HA   LYS  43           HA       LYS  43   4.263  -1.152 -25.189
  310   1HB   LYS  43          HB2       LYS  43   4.779  -3.370 -26.310
  311   2HB   LYS  43          HB3       LYS  43   4.748  -4.122 -24.707
  312   1HG   LYS  43          HG2       LYS  43   2.337  -3.165 -24.504
  313   2HG   LYS  43          HG3       LYS  43   2.483  -2.736 -26.194
  314   1HD   LYS  43          HD2       LYS  43   1.362  -4.696 -26.334
  315   2HD   LYS  43          HD3       LYS  43   2.999  -5.277 -26.583
  316   1HE   LYS  43          HE2       LYS  43   1.550  -5.231 -23.868
  317   2HE   LYS  43          HE3       LYS  43   1.428  -6.601 -24.960
  318   1HZ   LYS  43          HZ1       LYS  43   3.815  -6.947 -24.767
  319   2HZ   LYS  43          HZ2       LYS  43   3.930  -5.600 -23.807
  320   3HZ   LYS  43          HZ3       LYS  43   3.145  -6.881 -23.275
  321    H    MET  44           H        MET  44   3.428  -0.090 -23.511
  322    HA   MET  44           HA       MET  44   3.266  -1.398 -20.835
  323   1HB   MET  44          HB2       MET  44   3.368   1.518 -21.769
  324   2HB   MET  44          HB3       MET  44   2.761   1.049 -20.168
  325   1HG   MET  44          HG2       MET  44   4.695   0.228 -19.389
  326   2HG   MET  44          HG3       MET  44   5.467   0.050 -20.949
  327   1HE   MET  44          HE1       MET  44   4.524   2.321 -17.939
  328   2HE   MET  44          HE2       MET  44   5.953   1.280 -17.888
  329   3HE   MET  44          HE3       MET  44   6.125   3.056 -17.804
  330    H    VAL  45           H        VAL  45   1.303  -0.633 -19.658
  331    HA   VAL  45           HA       VAL  45  -1.159  -0.213 -21.190
  332    HB   VAL  45           HB       VAL  45  -2.187  -1.482 -19.302
  333   1HG1  VAL  45          1HG1      VAL  45  -0.448  -3.224 -21.090
  334   2HG1  VAL  45          2HG1      VAL  45  -1.995  -3.671 -20.341
  335   3HG1  VAL  45          3HG1      VAL  45  -1.983  -2.457 -21.602
  336   1HG2  VAL  45          1HG2      VAL  45  -0.437  -1.547 -17.720
  337   2HG2  VAL  45          2HG2      VAL  45  -0.822  -3.261 -18.158
  338   3HG2  VAL  45          3HG2      VAL  45   0.617  -2.472 -18.760
  339    H    LYS  46           H        LYS  46  -2.697   0.681 -19.145
  340    HA   LYS  46           HA       LYS  46  -1.168   2.370 -17.312
  341   1HB   LYS  46          HB2       LYS  46  -1.426   3.601 -19.526
  342   2HB   LYS  46          HB3       LYS  46  -3.157   3.581 -19.304
  343   1HG   LYS  46          HG2       LYS  46  -1.235   4.843 -17.293
  344   2HG   LYS  46          HG3       LYS  46  -1.837   5.696 -18.697
  345   1HD   LYS  46          HD2       LYS  46  -4.215   5.328 -17.805
  346   2HD   LYS  46          HD3       LYS  46  -3.463   4.744 -16.309
  347   1HE   LYS  46          HE2       LYS  46  -3.835   7.031 -15.963
  348   2HE   LYS  46          HE3       LYS  46  -2.104   6.856 -16.212
  349   1HZ   LYS  46          HZ1       LYS  46  -2.542   7.635 -18.550
  350   2HZ   LYS  46          HZ2       LYS  46  -4.140   7.826 -18.102
  351   3HZ   LYS  46          HZ3       LYS  46  -3.026   8.708 -17.414
  352    H    TRP  47           H        TRP  47  -2.267   2.509 -15.491
  353    HA   TRP  47           HA       TRP  47  -5.106   1.663 -15.413
  354   1HB   TRP  47          HB2       TRP  47  -3.032   0.919 -13.337
  355   2HB   TRP  47          HB3       TRP  47  -4.701   0.357 -13.442
  356    HD1  TRP  47           HD1      TRP  47  -1.239  -0.524 -14.431
  357    HE1  TRP  47           HE1      TRP  47  -1.129  -2.479 -16.040
  358    HE3  TRP  47           HE3      TRP  47  -6.099  -0.551 -15.951
  359    HZ2  TRP  47           HZ2      TRP  47  -2.882  -3.776 -17.954
  360    HZ3  TRP  47           HZ3      TRP  47  -6.782  -2.052 -17.838
  361    HH2  TRP  47           HH2      TRP  47  -5.211  -3.690 -18.775
  362    H    GLY  48           H        GLY  48  -6.303   3.238 -14.285
  363   1HA   GLY  48          HA2       GLY  48  -4.810   5.300 -12.844
  364   2HA   GLY  48          HA3       GLY  48  -5.679   5.758 -14.341
  365    H    LEU  49           H        LEU  49  -5.934   6.359 -11.450
  366    HA   LEU  49           HA       LEU  49  -8.805   5.813 -11.134
  367   1HB   LEU  49          HB2       LEU  49  -6.781   4.309  -9.810
  368   2HB   LEU  49          HB3       LEU  49  -7.436   5.369  -8.598
  369    HG   LEU  49           HG       LEU  49  -8.516   3.232  -8.652
  370   1HD1  LEU  49          1HD1      LEU  49 -10.866   3.902  -8.628
  371   2HD1  LEU  49          2HD1      LEU  49  -9.859   5.160  -7.909
  372   3HD1  LEU  49          3HD1      LEU  49 -10.471   5.383  -9.560
  373   1HD2  LEU  49          1HD2      LEU  49  -9.743   3.745 -11.368
  374   2HD2  LEU  49          2HD2      LEU  49  -8.312   2.726 -11.105
  375   3HD2  LEU  49          3HD2      LEU  49  -9.834   2.294 -10.346
  376    H    GLY  50           H        GLY  50  -6.462   8.225 -11.135
  377   1HA   GLY  50          HA2       GLY  50  -8.308  10.004  -9.708
  378   2HA   GLY  50          HA3       GLY  50  -6.797   9.714  -8.864
  379    H    LEU  51           H        LEU  51  -4.919   9.772 -10.908
  380    HA   LEU  51           HA       LEU  51  -5.238  12.457 -12.159
  381   1HB   LEU  51          HB2       LEU  51  -2.827  11.209 -10.758
  382   2HB   LEU  51          HB3       LEU  51  -2.768  12.723 -11.636
  383    HG   LEU  51           HG       LEU  51  -4.531  12.217  -9.178
  384   1HD1  LEU  51          1HD1      LEU  51  -1.847  13.642  -9.335
  385   2HD1  LEU  51          2HD1      LEU  51  -2.892  13.476  -7.905
  386   3HD1  LEU  51          3HD1      LEU  51  -2.131  12.035  -8.624
  387   1HD2  LEU  51          1HD2      LEU  51  -5.368  14.068 -10.551
  388   2HD2  LEU  51          2HD2      LEU  51  -4.651  14.688  -9.054
  389   3HD2  LEU  51          3HD2      LEU  51  -3.751  14.802 -10.582
  390    H    ASP  52           H        ASP  52  -6.053  11.064 -13.935
  391    HA   ASP  52           HA       ASP  52  -4.366   9.082 -15.167
  392   1HB   ASP  52          HB2       ASP  52  -6.916   9.280 -15.224
  393   2HB   ASP  52          HB3       ASP  52  -6.665  10.394 -16.574
  Start of MODEL   10
    1   1H    GLY   1           H1       GLY   1   4.177  -3.682 -10.193
    2   2H    GLY   1           H2       GLY   1   4.410  -2.110  -9.834
    3   3H    GLY   1           H3       GLY   1   5.543  -3.231  -9.421
    4   1HA   GLY   1          HA2       GLY   1   3.911  -4.310  -7.938
    5   2HA   GLY   1          HA3       GLY   1   4.378  -2.677  -7.417
    6    H    GLN   2           H        GLN   2   1.714  -4.467  -7.258
    7    HA   GLN   2           HA       GLN   2  -0.086  -2.246  -7.980
    8   1HB   GLN   2          HB2       GLN   2  -0.821  -5.137  -8.540
    9   2HB   GLN   2          HB3       GLN   2  -1.627  -3.675  -9.077
   10   1HG   GLN   2          HG2       GLN   2   0.671  -3.230 -10.324
   11   2HG   GLN   2          HG3       GLN   2   0.892  -4.973 -10.102
   12   1HE2  GLN   2          2HE2      GLN   2   0.882  -5.105 -12.467
   13   2HE2  GLN   2          1HE2      GLN   2  -0.646  -5.081 -13.346
   14    H    ASP   3           H        ASP   3  -2.180  -2.488  -7.088
   15    HA   ASP   3           HA       ASP   3  -2.668  -4.119  -4.694
   16   1HB   ASP   3          HB2       ASP   3  -1.818  -1.890  -3.856
   17   2HB   ASP   3          HB3       ASP   3  -3.102  -1.105  -4.768
   18    H    ARG   4           H        ARG   4  -5.179  -2.052  -4.804
   19    HA   ARG   4           HA       ARG   4  -6.600  -3.487  -7.015
   20   1HB   ARG   4          HB2       ARG   4  -7.742  -2.427  -4.382
   21   2HB   ARG   4          HB3       ARG   4  -8.610  -3.259  -5.653
   22   1HG   ARG   4          HG2       ARG   4  -8.316  -4.911  -4.074
   23   2HG   ARG   4          HG3       ARG   4  -7.065  -5.263  -5.273
   24   1HD   ARG   4          HD2       ARG   4  -5.348  -4.353  -3.794
   25   2HD   ARG   4          HD3       ARG   4  -6.577  -3.832  -2.623
   26    HE   ARG   4           HE       ARG   4  -6.890  -6.583  -3.165
   27   1HH1  ARG   4          1HH1      ARG   4  -4.390  -4.511  -1.680
   28   2HH1  ARG   4          2HH1      ARG   4  -3.920  -5.647  -0.505
   29   1HH2  ARG   4          2HH2      ARG   4  -6.158  -8.161  -1.665
   30   2HH2  ARG   4          1HH2      ARG   4  -4.900  -7.775  -0.532
   31    H    PHE   5           H        PHE   5  -5.961  -0.440  -5.324
   32    HA   PHE   5           HA       PHE   5  -6.794   1.040  -7.732
   33   1HB   PHE   5          HB2       PHE   5  -7.900   2.756  -6.438
   34   2HB   PHE   5          HB3       PHE   5  -8.701   1.206  -6.166
   35    HD1  PHE   5           HD1      PHE   5  -8.290  -0.019  -3.937
   36    HD2  PHE   5           HD2      PHE   5  -6.881   3.980  -4.686
   37    HE1  PHE   5           HE1      PHE   5  -7.960   0.323  -1.519
   38    HE2  PHE   5           HE2      PHE   5  -6.556   4.325  -2.251
   39    HZ   PHE   5           HZ       PHE   5  -7.078   2.477  -0.661
   40    H    VAL   6           H        VAL   6  -4.351   0.166  -5.760
   41    HA   VAL   6           HA       VAL   6  -2.904   2.722  -6.105
   42    HB   VAL   6           HB       VAL   6  -3.414   0.988  -3.691
   43   1HG1  VAL   6          1HG1      VAL   6  -0.829   2.498  -4.022
   44   2HG1  VAL   6          2HG1      VAL   6  -1.425   1.783  -2.500
   45   3HG1  VAL   6          3HG1      VAL   6  -1.024   0.714  -3.840
   46   1HG2  VAL   6          1HG2      VAL   6  -4.444   3.246  -4.058
   47   2HG2  VAL   6          2HG2      VAL   6  -3.523   3.108  -2.551
   48   3HG2  VAL   6          3HG2      VAL   6  -2.809   3.958  -3.942
   49    H    TYR   7           H        TYR   7  -0.632   2.346  -6.360
   50    HA   TYR   7           HA       TYR   7   0.370  -0.311  -7.119
   51   1HB   TYR   7          HB2       TYR   7   0.224   2.038  -9.040
   52   2HB   TYR   7          HB3       TYR   7   0.793   0.366  -9.356
   53    HD1  TYR   7           HD1      TYR   7  -0.800  -1.380  -9.881
   54    HD2  TYR   7           HD2      TYR   7  -2.186   2.579  -8.871
   55    HE1  TYR   7           HE1      TYR   7  -3.113  -1.998 -10.604
   56    HE2  TYR   7           HE2      TYR   7  -4.477   1.909  -9.383
   57    HH   TYR   7           HH       TYR   7  -5.875   0.187 -10.197
   58    H    THR   8           H        THR   8   2.729   0.516  -8.329
   59    HA   THR   8           HA       THR   8   3.809   2.724  -6.603
   60    HB   THR   8           HB       THR   8   5.997   1.335  -7.145
   61    HG1  THR   8           HG1      THR   8   5.118  -0.246  -8.373
   62   1HG2  THR   8          1HG2      THR   8   4.051   0.426  -4.994
   63   2HG2  THR   8          2HG2      THR   8   5.800   0.052  -5.073
   64   3HG2  THR   8          3HG2      THR   8   5.273   1.719  -4.868
   65    H    CYS   9           H        CYS   9   5.692   3.792  -7.621
   66    HA   CYS   9           HA       CYS   9   5.654   3.774 -10.612
   67   1HB   CYS   9          HB2       CYS   9   5.490   6.094  -9.795
   68   2HB   CYS   9          HB3       CYS   9   6.792   5.820  -8.629
   69    H    ASN  10           H        ASN  10   7.185   2.089 -11.017
   70    HA   ASN  10           HA       ASN  10   9.018   1.232  -9.015
   71   1HB   ASN  10          HB2       ASN  10   8.022  -0.197 -10.886
   72   2HB   ASN  10          HB3       ASN  10   9.232   0.582 -11.951
   73   1HD2  ASN  10          2HD2      ASN  10  10.768  -1.043 -12.224
   74   2HD2  ASN  10          1HD2      ASN  10  11.536  -1.905 -10.886
   75    H    GLU  11           H        GLU  11   9.104   4.077 -10.736
   76    HA   GLU  11           HA       GLU  11  12.012   4.041 -10.656
   77   1HB   GLU  11          HB2       GLU  11  10.147   5.549 -12.333
   78   2HB   GLU  11          HB3       GLU  11  11.372   6.548 -11.599
   79   1HG   GLU  11          HG2       GLU  11  12.089   3.926 -12.997
   80   2HG   GLU  11          HG3       GLU  11  12.148   5.511 -13.785
   81    H    CYS  12           H        CYS  12   9.237   5.351  -8.996
   82    HA   CYS  12           HA       CYS  12  10.969   7.094  -7.319
   83   1HB   CYS  12          HB2       CYS  12   7.980   6.527  -7.127
   84   2HB   CYS  12          HB3       CYS  12   8.890   7.760  -6.233
   85    H    LYS  13           H        LYS  13   9.475   4.016  -7.470
   86    HA   LYS  13           HA       LYS  13   9.012   2.289  -6.105
   87   1HB   LYS  13          HB2       LYS  13  11.785   3.005  -5.020
   88   2HB   LYS  13          HB3       LYS  13  10.845   1.665  -4.379
   89   1HG   LYS  13          HG2       LYS  13  11.662   0.376  -5.943
   90   2HG   LYS  13          HG3       LYS  13  10.582   1.171  -7.061
   91   1HD   LYS  13          HD2       LYS  13  13.562   1.478  -6.734
   92   2HD   LYS  13          HD3       LYS  13  12.575   1.103  -8.164
   93   1HE   LYS  13          HE2       LYS  13  11.685   3.450  -8.070
   94   2HE   LYS  13          HE3       LYS  13  12.915   3.833  -6.868
   95   1HZ   LYS  13          HZ1       LYS  13  14.581   3.192  -8.594
   96   2HZ   LYS  13          HZ2       LYS  13  13.335   2.947  -9.651
   97   3HZ   LYS  13          HZ3       LYS  13  13.579   4.410  -9.072
   98    H    HIS  14           H        HIS  14   7.611   4.320  -5.736
   99    HA   HIS  14           HA       HIS  14   6.876   4.333  -2.891
  100   1HB   HIS  14          HB2       HIS  14   8.157   6.404  -3.231
  101   2HB   HIS  14          HB3       HIS  14   7.316   6.692  -4.761
  102    HD2  HIS  14           HD2      HIS  14   5.455   8.365  -4.688
  103    HE1  HIS  14           HE1      HIS  14   3.929   7.590  -0.796
  104    HE2  HIS  14           HE2      HIS  14   3.586   8.921  -2.948
  105    H    HIS  15           H        HIS  15   4.567   5.015  -2.742
  106    HA   HIS  15           HA       HIS  15   3.023   3.549  -4.690
  107   1HB   HIS  15          HB2       HIS  15   2.375   4.918  -2.063
  108   2HB   HIS  15          HB3       HIS  15   1.095   4.309  -3.107
  109    HD2  HIS  15           HD2      HIS  15   1.235   1.604  -3.775
  110    HE1  HIS  15           HE1      HIS  15   3.038   0.597  -0.056
  111    HE2  HIS  15           HE2      HIS  15   1.767  -0.317  -2.060
  112    H    VAL  16           H        VAL  16   1.351   4.196  -5.902
  113    HA   VAL  16           HA       VAL  16   0.738   7.026  -6.400
  114    HB   VAL  16           HB       VAL  16   1.160   6.781  -8.777
  115   1HG1  VAL  16          1HG1      VAL  16   3.525   6.433  -8.930
  116   2HG1  VAL  16          2HG1      VAL  16   3.143   7.357  -7.447
  117   3HG1  VAL  16          3HG1      VAL  16   3.589   5.637  -7.343
  118   1HG2  VAL  16          1HG2      VAL  16   1.900   3.878  -8.241
  119   2HG2  VAL  16          2HG2      VAL  16   0.496   4.481  -9.182
  120   3HG2  VAL  16          3HG2      VAL  16   2.114   4.736  -9.781
  121    H    GLU  17           H        GLU  17  -1.348   6.975  -7.967
  122    HA   GLU  17           HA       GLU  17  -3.092   4.652  -7.249
  123   1HB   GLU  17          HB2       GLU  17  -4.912   6.441  -7.705
  124   2HB   GLU  17          HB3       GLU  17  -4.101   6.345  -6.142
  125   1HG   GLU  17          HG2       GLU  17  -4.439   8.647  -6.864
  126   2HG   GLU  17          HG3       GLU  17  -2.715   8.290  -6.650
  127    H    THR  18           H        THR  18  -1.802   6.780  -9.765
  128    HA   THR  18           HA       THR  18  -3.024   5.064 -11.841
  129    HB   THR  18           HB       THR  18  -2.552   8.090 -11.806
  130    HG1  THR  18           HG1      THR  18  -4.311   7.825 -10.750
  131   1HG2  THR  18          1HG2      THR  18  -3.097   6.238 -14.086
  132   2HG2  THR  18          2HG2      THR  18  -4.353   7.476 -13.895
  133   3HG2  THR  18          3HG2      THR  18  -2.677   7.950 -14.135
  134    H    ARG  19           H        ARG  19  -1.541   4.283 -13.360
  135    HA   ARG  19           HA       ARG  19   1.217   5.402 -13.410
  136   1HB   ARG  19          HB2       ARG  19   2.305   3.476 -12.755
  137   2HB   ARG  19          HB3       ARG  19   1.002   3.642 -11.576
  138   1HG   ARG  19          HG2       ARG  19  -0.297   1.993 -13.284
  139   2HG   ARG  19          HG3       ARG  19   1.366   1.607 -13.807
  140   1HD   ARG  19          HD2       ARG  19   1.427   1.569 -11.020
  141   2HD   ARG  19          HD3       ARG  19  -0.158   0.864 -11.467
  142    HE   ARG  19           HE       ARG  19   2.553  -0.200 -11.843
  143   1HH1  ARG  19          1HH2      ARG  19  -0.918  -0.957 -12.337
  144   2HH1  ARG  19          2HH2      ARG  19  -0.550  -2.551 -12.856
  145   1HH2  ARG  19          2HH1      ARG  19   2.938  -2.185 -12.351
  146   2HH2  ARG  19          1HH1      ARG  19   1.775  -3.313 -12.841
  147    H    TRP  20           H        TRP  20   2.533   4.281 -14.927
  148    HA   TRP  20           HA       TRP  20   1.225   3.164 -17.363
  149   1HB   TRP  20          HB2       TRP  20   3.896   4.563 -16.905
  150   2HB   TRP  20          HB3       TRP  20   3.310   3.960 -18.442
  151    HD1  TRP  20           HD1      TRP  20   2.609   6.736 -15.889
  152    HE1  TRP  20           HE1      TRP  20   0.988   8.432 -16.808
  153    HE3  TRP  20           HE3      TRP  20   1.655   4.533 -20.362
  154    HZ2  TRP  20           HZ2      TRP  20  -0.516   8.873 -19.208
  155    HZ3  TRP  20           HZ3      TRP  20   0.088   5.623 -21.976
  156    HH2  TRP  20           HH2      TRP  20  -1.021   7.761 -21.427
  157    H    HIS  21           H        HIS  21   1.913   1.025 -17.747
  158    HA   HIS  21           HA       HIS  21   3.811  -0.184 -15.767
  159   1HB   HIS  21          HB2       HIS  21   1.820  -0.622 -14.763
  160   2HB   HIS  21          HB3       HIS  21   0.910  -0.692 -16.240
  161    HD2  HIS  21           HD2      HIS  21   3.956  -3.070 -15.987
  162    HE1  HIS  21           HE1      HIS  21   0.522  -5.469 -15.421
  163    HE2  HIS  21           HE2      HIS  21   3.048  -5.463 -15.789
  164    H    CYS  22           H        CYS  22   5.322  -1.219 -16.818
  165    HA   CYS  22           HA       CYS  22   5.283  -1.908 -19.623
  166   1HB   CYS  22          HB2       CYS  22   7.122  -1.842 -17.290
  167   2HB   CYS  22          HB3       CYS  22   7.469  -3.139 -18.424
  168    H    THR  23           H        THR  23   4.449  -3.553 -20.503
  169    HA   THR  23           HA       THR  23   4.019  -6.033 -18.916
  170    HB   THR  23           HB       THR  23   2.271  -6.683 -20.618
  171    HG1  THR  23           HG1      THR  23   3.142  -4.414 -21.784
  172   1HG2  THR  23          1HG2      THR  23   1.988  -4.058 -19.178
  173   2HG2  THR  23          2HG2      THR  23   0.632  -5.121 -19.641
  174   3HG2  THR  23          3HG2      THR  23   1.782  -5.634 -18.391
  175    H    VAL  24           H        VAL  24   6.317  -4.961 -20.363
  176    HA   VAL  24           HA       VAL  24   7.357  -7.087 -22.081
  177    HB   VAL  24           HB       VAL  24   7.370  -4.871 -22.943
  178   1HG1  VAL  24          1HG1      VAL  24   8.669  -3.114 -21.215
  179   2HG1  VAL  24          2HG1      VAL  24   6.982  -3.094 -21.824
  180   3HG1  VAL  24          3HG1      VAL  24   7.380  -3.797 -20.287
  181   1HG2  VAL  24          1HG2      VAL  24   9.651  -6.016 -23.040
  182   2HG2  VAL  24          2HG2      VAL  24   9.756  -4.234 -23.089
  183   3HG2  VAL  24          3HG2      VAL  24  10.095  -5.120 -21.588
  184    H    CYS  25           H        CYS  25   8.245  -4.890 -19.445
  185    HA   CYS  25           HA       CYS  25  10.269  -6.575 -18.260
  186   1HB   CYS  25          HB2       CYS  25   8.799  -4.239 -17.021
  187   2HB   CYS  25          HB3       CYS  25  10.436  -4.787 -16.633
  188    H    GLU  26           H        GLU  26   9.961  -6.937 -15.748
  189    HA   GLU  26           HA       GLU  26   7.496  -8.467 -15.333
  190   1HB   GLU  26          HB2       GLU  26  10.216  -8.348 -14.093
  191   2HB   GLU  26          HB3       GLU  26   8.912  -8.688 -12.966
  192   1HG   GLU  26          HG2       GLU  26   8.095 -10.518 -14.385
  193   2HG   GLU  26          HG3       GLU  26   9.472 -10.295 -15.470
  194    H    ASP  27           H        ASP  27   5.929  -6.987 -15.134
  195    HA   ASP  27           HA       ASP  27   4.622  -5.333 -14.323
  196   1HB   ASP  27          HB2       ASP  27   4.299  -7.291 -12.834
  197   2HB   ASP  27          HB3       ASP  27   5.435  -6.588 -11.692
  198    H    TYR  28           H        TYR  28   7.052  -4.293 -14.915
  199    HA   TYR  28           HA       TYR  28   7.978  -2.440 -12.869
  200   1HB   TYR  28          HB2       TYR  28   9.373  -3.341 -14.761
  201   2HB   TYR  28          HB3       TYR  28   8.384  -2.507 -15.894
  202    HD1  TYR  28           HD1      TYR  28  11.353  -2.274 -13.928
  203    HD2  TYR  28           HD2      TYR  28   8.254   0.110 -15.772
  204    HE1  TYR  28           HE1      TYR  28  12.818  -0.274 -13.853
  205    HE2  TYR  28           HE2      TYR  28   9.742   2.049 -15.776
  206    HH   TYR  28           HH       TYR  28  13.092   1.959 -14.480
  207    H    ASP  29           H        ASP  29   7.465  -0.283 -12.703
  208    HA   ASP  29           HA       ASP  29   5.030   0.656 -14.142
  209   1HB   ASP  29          HB2       ASP  29   5.486   1.653 -11.387
  210   2HB   ASP  29          HB3       ASP  29   3.992   1.307 -12.196
  211    H    LEU  30           H        LEU  30   4.760   2.978 -14.168
  212    HA   LEU  30           HA       LEU  30   6.869   4.625 -13.023
  213   1HB   LEU  30          HB2       LEU  30   5.943   4.737 -15.924
  214   2HB   LEU  30          HB3       LEU  30   6.787   6.012 -15.098
  215    HG   LEU  30           HG       LEU  30   7.902   3.220 -15.719
  216   1HD1  LEU  30          1HD1      LEU  30   9.446   4.486 -17.165
  217   2HD1  LEU  30          2HD1      LEU  30   7.760   4.791 -17.630
  218   3HD1  LEU  30          3HD1      LEU  30   8.672   6.011 -16.690
  219   1HD2  LEU  30          1HD2      LEU  30  10.079   4.060 -14.842
  220   2HD2  LEU  30          2HD2      LEU  30   9.327   5.601 -14.432
  221   3HD2  LEU  30          3HD2      LEU  30   8.905   4.135 -13.542
  222    H    CYS  31           H        CYS  31   5.917   6.436 -12.043
  223    HA   CYS  31           HA       CYS  31   3.099   6.931 -12.260
  224   1HB   CYS  31          HB2       CYS  31   3.622   9.016 -11.157
  225   2HB   CYS  31          HB3       CYS  31   4.343   7.686 -10.272
  226    H    ILE  32           H        ILE  32   2.403   9.100 -13.071
  227    HA   ILE  32           HA       ILE  32   2.738   9.246 -15.811
  228    HB   ILE  32           HB       ILE  32   1.878  11.584 -14.070
  229   1HG1  ILE  32          2HG1      ILE  32   0.605   9.957 -13.029
  230   2HG1  ILE  32          3HG1      ILE  32  -0.461  10.658 -14.212
  231   1HG2  ILE  32          1HG2      ILE  32   1.153  10.679 -16.869
  232   2HG2  ILE  32          2HG2      ILE  32   0.369  12.004 -15.993
  233   3HG2  ILE  32          3HG2      ILE  32   2.111  12.113 -16.341
  234   1HD1  ILE  32          1HD1      ILE  32  -0.378   8.645 -15.577
  235   2HD1  ILE  32          2HD1      ILE  32   0.955   7.964 -14.605
  236   3HD1  ILE  32          3HD1      ILE  32  -0.588   8.170 -13.853
  237    H    ASN  33           H        ASN  33   4.251  11.258 -13.326
  238    HA   ASN  33           HA       ASN  33   5.588  13.006 -15.116
  239   1HB   ASN  33          HB2       ASN  33   5.189  13.721 -12.861
  240   2HB   ASN  33          HB3       ASN  33   5.946  12.274 -12.177
  241   1HD2  ASN  33          2HD2      ASN  33   8.159  12.275 -11.757
  242   2HD2  ASN  33          1HD2      ASN  33   9.190  13.643 -12.144
  243    H    CYS  34           H        CYS  34   6.621   9.951 -13.516
  244    HA   CYS  34           HA       CYS  34   9.315  10.124 -14.525
  245   1HB   CYS  34          HB2       CYS  34   7.633   7.937 -13.292
  246   2HB   CYS  34          HB3       CYS  34   9.178   7.597 -14.106
  247    H    TYR  35           H        TYR  35   6.292   8.555 -15.690
  248    HA   TYR  35           HA       TYR  35   7.412   7.255 -17.952
  249   1HB   TYR  35          HB2       TYR  35   5.136   6.838 -17.196
  250   2HB   TYR  35          HB3       TYR  35   4.631   8.459 -17.623
  251    HD1  TYR  35           HD1      TYR  35   6.436   5.538 -19.208
  252    HD2  TYR  35           HD2      TYR  35   3.454   8.625 -19.717
  253    HE1  TYR  35           HE1      TYR  35   6.007   4.747 -21.491
  254    HE2  TYR  35           HE2      TYR  35   3.076   7.878 -22.033
  255    HH   TYR  35           HH       TYR  35   4.914   5.101 -23.441
  256    H    ASN  36           H        ASN  36   6.188  10.577 -17.574
  257    HA   ASN  36           HA       ASN  36   6.599  11.600 -20.132
  258   1HB   ASN  36          HB2       ASN  36   6.124  12.666 -17.373
  259   2HB   ASN  36          HB3       ASN  36   6.867  13.789 -18.428
  260   1HD2  ASN  36          2HD2      ASN  36   4.014  11.774 -17.950
  261   2HD2  ASN  36          1HD2      ASN  36   2.984  12.661 -19.067
  262    H    THR  37           H        THR  37   9.127  10.778 -17.883
  263    HA   THR  37           HA       THR  37  10.969  12.568 -19.410
  264    HB   THR  37           HB       THR  37  12.257  12.689 -17.221
  265    HG1  THR  37           HG1      THR  37   9.819  12.079 -15.983
  266   1HG2  THR  37          1HG2      THR  37  10.942  14.592 -18.029
  267   2HG2  THR  37          2HG2      THR  37   9.468  13.966 -17.254
  268   3HG2  THR  37          3HG2      THR  37  10.854  14.492 -16.265
  269    H    LYS  38           H        LYS  38  10.666   9.541 -17.596
  270    HA   LYS  38           HA       LYS  38  13.283   8.572 -18.250
  271   1HB   LYS  38          HB2       LYS  38  10.866   6.969 -17.353
  272   2HB   LYS  38          HB3       LYS  38  12.550   6.493 -17.228
  273   1HG   LYS  38          HG2       LYS  38  11.357   8.894 -15.764
  274   2HG   LYS  38          HG3       LYS  38  11.431   7.277 -15.086
  275   1HD   LYS  38          HD2       LYS  38  13.881   7.395 -15.023
  276   2HD   LYS  38          HD3       LYS  38  13.875   8.880 -15.994
  277   1HE   LYS  38          HE2       LYS  38  14.240   9.444 -13.678
  278   2HE   LYS  38          HE3       LYS  38  12.707  10.106 -14.240
  279   1HZ   LYS  38          HZ1       LYS  38  11.563   8.342 -13.062
  280   2HZ   LYS  38          HZ2       LYS  38  13.001   7.641 -12.642
  281   3HZ   LYS  38          HZ3       LYS  38  12.560   9.089 -12.029
  282    H    SER  39           H        SER  39  10.575   8.935 -20.265
  283    HA   SER  39           HA       SER  39   9.990   8.131 -22.274
  284   1HB   SER  39          HB2       SER  39  13.038   8.043 -22.560
  285   2HB   SER  39          HB3       SER  39  11.861   8.284 -23.869
  286    HG   SER  39           HG       SER  39  12.494  10.022 -21.717
  287    H    HIS  40           H        HIS  40   9.648   6.010 -20.620
  288    HA   HIS  40           HA       HIS  40  11.027   3.618 -21.425
  289   1HB   HIS  40          HB2       HIS  40   9.280   4.370 -19.352
  290   2HB   HIS  40          HB3       HIS  40   8.348   3.227 -20.320
  291    HD1  HIS  40           HD1      HIS  40  11.407   3.414 -18.022
  292    HD2  HIS  40           HD2      HIS  40   9.356   0.714 -20.460
  293    HE1  HIS  40           HE1      HIS  40  12.215   1.091 -17.350
  294    H    THR  41           H        THR  41  10.906   2.983 -23.460
  295    HA   THR  41           HA       THR  41   8.689   3.793 -25.115
  296    HB   THR  41           HB       THR  41  10.936   2.205 -26.240
  297    HG1  THR  41           HG1      THR  41  11.527   4.528 -24.759
  298   1HG2  THR  41          1HG2      THR  41  11.118   4.101 -27.784
  299   2HG2  THR  41          2HG2      THR  41   9.458   3.515 -27.657
  300   3HG2  THR  41          3HG2      THR  41   9.923   5.011 -26.806
  301    H    HIS  42           H        HIS  42   8.956   1.007 -23.252
  302    HA   HIS  42           HA       HIS  42   8.520  -0.943 -25.336
  303   1HB   HIS  42          HB2       HIS  42   8.078  -1.116 -22.358
  304   2HB   HIS  42          HB3       HIS  42   8.394  -2.451 -23.493
  305    HD2  HIS  42           HD2      HIS  42  11.064  -1.195 -24.887
  306    HE1  HIS  42           HE1      HIS  42  12.568  -1.260 -20.873
  307    HE2  HIS  42           HE2      HIS  42  13.231  -1.107 -23.343
  308    H    LYS  43           H        LYS  43   6.613  -2.566 -25.008
  309    HA   LYS  43           HA       LYS  43   4.186  -1.024 -25.277
  310   1HB   LYS  43          HB2       LYS  43   4.728  -3.086 -26.637
  311   2HB   LYS  43          HB3       LYS  43   4.351  -4.064 -25.248
  312   1HG   LYS  43          HG2       LYS  43   2.165  -2.235 -25.422
  313   2HG   LYS  43          HG3       LYS  43   2.570  -2.577 -27.103
  314   1HD   LYS  43          HD2       LYS  43   0.858  -4.140 -26.411
  315   2HD   LYS  43          HD3       LYS  43   2.363  -5.034 -26.550
  316   1HE   LYS  43          HE2       LYS  43   1.346  -5.770 -24.511
  317   2HE   LYS  43          HE3       LYS  43   2.699  -4.750 -24.058
  318   1HZ   LYS  43          HZ1       LYS  43   1.071  -2.925 -23.736
  319   2HZ   LYS  43          HZ2       LYS  43  -0.155  -3.996 -23.969
  320   3HZ   LYS  43          HZ3       LYS  43   0.919  -4.166 -22.730
  321    H    MET  44           H        MET  44   3.841  -0.073 -23.342
  322    HA   MET  44           HA       MET  44   3.447  -1.601 -20.869
  323   1HB   MET  44          HB2       MET  44   3.323   1.326 -21.798
  324   2HB   MET  44          HB3       MET  44   2.762   0.873 -20.187
  325   1HG   MET  44          HG2       MET  44   4.720   0.140 -19.455
  326   2HG   MET  44          HG3       MET  44   5.474  -0.056 -21.023
  327   1HE   MET  44          HE1       MET  44   6.171   1.224 -18.059
  328   2HE   MET  44          HE2       MET  44   6.236   3.019 -17.982
  329   3HE   MET  44          HE3       MET  44   4.692   2.177 -17.943
  330    H    VAL  45           H        VAL  45   1.403  -0.580 -19.694
  331    HA   VAL  45           HA       VAL  45  -1.087  -0.403 -21.192
  332    HB   VAL  45           HB       VAL  45  -2.078  -1.645 -19.293
  333   1HG1  VAL  45          1HG1      VAL  45  -1.774  -3.862 -20.221
  334   2HG1  VAL  45          2HG1      VAL  45  -1.702  -2.706 -21.567
  335   3HG1  VAL  45          3HG1      VAL  45  -0.195  -3.424 -20.906
  336   1HG2  VAL  45          1HG2      VAL  45   0.763  -2.530 -18.723
  337   2HG2  VAL  45          2HG2      VAL  45  -0.304  -1.553 -17.715
  338   3HG2  VAL  45          3HG2      VAL  45  -0.646  -3.300 -18.044
  339    H    LYS  46           H        LYS  46  -2.633   0.685 -19.310
  340    HA   LYS  46           HA       LYS  46  -1.077   2.300 -17.405
  341   1HB   LYS  46          HB2       LYS  46  -1.218   3.585 -19.594
  342   2HB   LYS  46          HB3       LYS  46  -2.969   3.550 -19.463
  343   1HG   LYS  46          HG2       LYS  46  -1.165   4.829 -17.337
  344   2HG   LYS  46          HG3       LYS  46  -1.661   5.641 -18.810
  345   1HD   LYS  46          HD2       LYS  46  -4.084   5.363 -18.062
  346   2HD   LYS  46          HD3       LYS  46  -3.466   4.765 -16.524
  347   1HE   LYS  46          HE2       LYS  46  -3.927   7.110 -16.321
  348   2HE   LYS  46          HE3       LYS  46  -2.171   6.870 -16.213
  349   1HZ   LYS  46          HZ1       LYS  46  -2.645   8.704 -17.585
  350   2HZ   LYS  46          HZ2       LYS  46  -2.175   7.563 -18.655
  351   3HZ   LYS  46          HZ3       LYS  46  -3.770   8.030 -18.382
  352    H    TRP  47           H        TRP  47  -2.232   2.529 -15.603
  353    HA   TRP  47           HA       TRP  47  -5.086   1.683 -15.613
  354   1HB   TRP  47          HB2       TRP  47  -3.087   1.009 -13.446
  355   2HB   TRP  47          HB3       TRP  47  -4.742   0.392 -13.618
  356    HD1  TRP  47           HD1      TRP  47  -1.232  -0.344 -14.511
  357    HE1  TRP  47           HE1      TRP  47  -1.031  -2.422 -15.956
  358    HE3  TRP  47           HE3      TRP  47  -6.090  -0.677 -16.092
  359    HZ2  TRP  47           HZ2      TRP  47  -2.699  -3.879 -17.816
  360    HZ3  TRP  47           HZ3      TRP  47  -6.665  -2.279 -17.907
  361    HH2  TRP  47           HH2      TRP  47  -4.996  -3.900 -18.729
  362    H    GLY  48           H        GLY  48  -6.318   3.247 -14.534
  363   1HA   GLY  48          HA2       GLY  48  -4.857   5.249 -12.937
  364   2HA   GLY  48          HA3       GLY  48  -5.713   5.798 -14.397
  365    H    LEU  49           H        LEU  49  -5.849   6.104 -11.459
  366    HA   LEU  49           HA       LEU  49  -8.720   5.527 -11.000
  367   1HB   LEU  49          HB2       LEU  49  -6.305   4.953  -9.289
  368   2HB   LEU  49          HB3       LEU  49  -7.795   5.332  -8.483
  369    HG   LEU  49           HG       LEU  49  -7.481   3.025  -8.598
  370   1HD1  LEU  49          1HD1      LEU  49  -9.767   3.648 -10.513
  371   2HD1  LEU  49          2HD1      LEU  49  -9.624   2.243  -9.465
  372   3HD1  LEU  49          3HD1      LEU  49  -9.788   3.858  -8.745
  373   1HD2  LEU  49          1HD2      LEU  49  -6.144   2.884 -10.749
  374   2HD2  LEU  49          2HD2      LEU  49  -7.293   1.582 -10.404
  375   3HD2  LEU  49          3HD2      LEU  49  -7.717   2.807 -11.594
  376    H    GLY  50           H        GLY  50  -6.498   8.109 -11.270
  377   1HA   GLY  50          HA2       GLY  50  -8.495   9.924 -10.263
  378   2HA   GLY  50          HA3       GLY  50  -7.174   9.774  -9.115
  379    H    LEU  51           H        LEU  51  -4.930   9.706 -10.927
  380    HA   LEU  51           HA       LEU  51  -5.054  12.402 -12.222
  381   1HB   LEU  51          HB2       LEU  51  -2.844  11.107 -10.559
  382   2HB   LEU  51          HB3       LEU  51  -2.704  12.615 -11.420
  383    HG   LEU  51           HG       LEU  51  -4.647  12.102  -9.110
  384   1HD1  LEU  51          1HD1      LEU  51  -2.001  13.599  -9.215
  385   2HD1  LEU  51          2HD1      LEU  51  -3.087  13.536  -7.793
  386   3HD1  LEU  51          3HD1      LEU  51  -2.297  12.064  -8.403
  387   1HD2  LEU  51          1HD2      LEU  51  -3.928  14.707 -10.491
  388   2HD2  LEU  51          2HD2      LEU  51  -5.500  13.870 -10.582
  389   3HD2  LEU  51          3HD2      LEU  51  -4.944  14.504  -9.030
  390    H    ASP  52           H        ASP  52  -5.589  11.359 -14.184
  391    HA   ASP  52           HA       ASP  52  -4.184   9.242 -15.347
  392   1HB   ASP  52          HB2       ASP  52  -6.425  10.212 -16.062
  393   2HB   ASP  52          HB3       ASP  52  -5.511  11.433 -16.962
  Start of MODEL   11
    1   1H    GLY   1           H1       GLY   1   4.282  -2.108  -9.995
    2   2H    GLY   1           H2       GLY   1   5.324  -3.278  -9.509
    3   3H    GLY   1           H3       GLY   1   4.021  -3.669 -10.415
    4   1HA   GLY   1          HA2       GLY   1   3.543  -4.331  -8.222
    5   2HA   GLY   1          HA3       GLY   1   3.986  -2.698  -7.645
    6    H    GLN   2           H        GLN   2   1.258  -4.366  -7.592
    7    HA   GLN   2           HA       GLN   2  -0.406  -2.111  -8.388
    8   1HB   GLN   2          HB2       GLN   2  -1.911  -3.885  -9.625
    9   2HB   GLN   2          HB3       GLN   2  -0.596  -3.112 -10.455
   10   1HG   GLN   2          HG2       GLN   2   0.859  -5.091 -10.183
   11   2HG   GLN   2          HG3       GLN   2  -0.405  -5.924  -9.284
   12   1HE2  GLN   2          2HE2      GLN   2   0.991  -5.831 -12.320
   13   2HE2  GLN   2          1HE2      GLN   2  -0.387  -6.384 -13.247
   14    H    ASP   3           H        ASP   3  -2.522  -2.239  -7.699
   15    HA   ASP   3           HA       ASP   3  -3.520  -4.107  -5.688
   16   1HB   ASP   3          HB2       ASP   3  -2.328  -2.438  -4.346
   17   2HB   ASP   3          HB3       ASP   3  -3.037  -1.104  -5.259
   18    H    ARG   4           H        ARG   4  -5.960  -3.348  -5.429
   19    HA   ARG   4           HA       ARG   4  -7.047  -3.133  -8.096
   20   1HB   ARG   4          HB2       ARG   4  -9.273  -2.787  -6.780
   21   2HB   ARG   4          HB3       ARG   4  -8.473  -4.346  -6.908
   22   1HG   ARG   4          HG2       ARG   4  -9.365  -4.048  -4.710
   23   2HG   ARG   4          HG3       ARG   4  -7.623  -4.214  -4.672
   24   1HD   ARG   4          HD2       ARG   4  -8.017  -1.433  -4.765
   25   2HD   ARG   4          HD3       ARG   4  -9.368  -1.970  -3.780
   26    HE   ARG   4           HE       ARG   4  -6.508  -2.016  -3.295
   27   1HH1  ARG   4          1HH2      ARG   4  -9.552  -3.080  -1.941
   28   2HH1  ARG   4          2HH2      ARG   4  -8.856  -3.858  -0.550
   29   1HH2  ARG   4          1HH1      ARG   4  -5.549  -3.046  -1.630
   30   2HH2  ARG   4          2HH1      ARG   4  -6.421  -3.680  -0.274
   31    H    PHE   5           H        PHE   5  -6.137  -0.590  -5.879
   32    HA   PHE   5           HA       PHE   5  -6.893   1.271  -8.011
   33   1HB   PHE   5          HB2       PHE   5  -7.909   2.894  -6.379
   34   2HB   PHE   5          HB3       PHE   5  -8.867   1.545  -6.876
   35    HD1  PHE   5           HD1      PHE   5 -10.456   1.435  -5.144
   36    HD2  PHE   5           HD2      PHE   5  -6.250   1.423  -4.128
   37    HE1  PHE   5           HE1      PHE   5 -11.011   0.887  -2.817
   38    HE2  PHE   5           HE2      PHE   5  -6.816   0.878  -1.811
   39    HZ   PHE   5           HZ       PHE   5  -9.220   0.618  -1.112
   40    H    VAL   6           H        VAL   6  -4.493   0.135  -6.228
   41    HA   VAL   6           HA       VAL   6  -3.055   2.712  -6.224
   42    HB   VAL   6           HB       VAL   6  -3.520   0.768  -3.999
   43   1HG1  VAL   6          1HG1      VAL   6  -0.867   2.232  -4.239
   44   2HG1  VAL   6          2HG1      VAL   6  -1.450   1.329  -2.825
   45   3HG1  VAL   6          3HG1      VAL   6  -1.107   0.468  -4.343
   46   1HG2  VAL   6          1HG2      VAL   6  -4.485   3.044  -4.076
   47   2HG2  VAL   6          2HG2      VAL   6  -3.405   2.825  -2.681
   48   3HG2  VAL   6          3HG2      VAL   6  -2.842   3.725  -4.122
   49    H    TYR   7           H        TYR   7  -0.789   2.417  -6.528
   50    HA   TYR   7           HA       TYR   7   0.154  -0.055  -7.832
   51   1HB   TYR   7          HB2       TYR   7  -0.228   2.709  -9.074
   52   2HB   TYR   7          HB3       TYR   7   0.648   1.420  -9.841
   53    HD1  TYR   7           HD1      TYR   7  -0.815  -0.839 -10.168
   54    HD2  TYR   7           HD2      TYR   7  -2.496   2.995  -9.231
   55    HE1  TYR   7           HE1      TYR   7  -3.118  -1.699 -10.712
   56    HE2  TYR   7           HE2      TYR   7  -4.747   2.132  -9.600
   57    HH   TYR   7           HH       TYR   7  -5.387  -1.249 -10.463
   58    H    THR   8           H        THR   8   2.540   0.765  -8.795
   59    HA   THR   8           HA       THR   8   3.705   2.701  -6.865
   60    HB   THR   8           HB       THR   8   5.833   1.180  -7.497
   61    HG1  THR   8           HG1      THR   8   5.002  -0.370  -8.666
   62   1HG2  THR   8          1HG2      THR   8   3.792   0.614  -5.341
   63   2HG2  THR   8          2HG2      THR   8   5.374  -0.207  -5.428
   64   3HG2  THR   8          3HG2      THR   8   5.321   1.544  -5.237
   65    H    CYS   9           H        CYS   9   5.778   3.604  -7.795
   66    HA   CYS   9           HA       CYS   9   5.738   3.853 -10.778
   67   1HB   CYS   9          HB2       CYS   9   5.521   6.140  -9.813
   68   2HB   CYS   9          HB3       CYS   9   6.869   5.821  -8.710
   69    H    ASN  10           H        ASN  10   7.398   2.248 -11.287
   70    HA   ASN  10           HA       ASN  10   9.161   1.415  -9.200
   71   1HB   ASN  10          HB2       ASN  10   8.338  -0.072 -11.036
   72   2HB   ASN  10          HB3       ASN  10   9.499   0.740 -12.123
   73   1HD2  ASN  10          2HD2      ASN  10  11.179  -0.768 -12.333
   74   2HD2  ASN  10          1HD2      ASN  10  11.952  -1.585 -10.973
   75    H    GLU  11           H        GLU  11   9.194   4.281 -10.814
   76    HA   GLU  11           HA       GLU  11  12.143   4.395 -10.741
   77   1HB   GLU  11          HB2       GLU  11  10.131   5.883 -12.294
   78   2HB   GLU  11          HB3       GLU  11  11.321   6.905 -11.520
   79   1HG   GLU  11          HG2       GLU  11  12.028   4.443 -13.221
   80   2HG   GLU  11          HG3       GLU  11  12.040   6.090 -13.838
   81    H    CYS  12           H        CYS  12   9.270   5.370  -9.003
   82    HA   CYS  12           HA       CYS  12  10.935   7.082  -7.226
   83   1HB   CYS  12          HB2       CYS  12   7.955   6.564  -7.067
   84   2HB   CYS  12          HB3       CYS  12   8.870   7.765  -6.191
   85    H    LYS  13           H        LYS  13   9.485   3.980  -7.528
   86    HA   LYS  13           HA       LYS  13   8.966   2.226  -6.211
   87   1HB   LYS  13          HB2       LYS  13  11.715   2.905  -5.073
   88   2HB   LYS  13          HB3       LYS  13  10.816   1.505  -4.583
   89   1HG   LYS  13          HG2       LYS  13  11.631   0.352  -6.295
   90   2HG   LYS  13          HG3       LYS  13  10.624   1.311  -7.355
   91   1HD   LYS  13          HD2       LYS  13  13.583   1.621  -6.757
   92   2HD   LYS  13          HD3       LYS  13  12.741   1.264  -8.287
   93   1HE   LYS  13          HE2       LYS  13  11.691   3.544  -8.090
   94   2HE   LYS  13          HE3       LYS  13  12.912   3.920  -6.857
   95   1HZ   LYS  13          HZ1       LYS  13  13.351   3.117  -9.678
   96   2HZ   LYS  13          HZ2       LYS  13  13.546   4.609  -9.081
   97   3HZ   LYS  13          HZ3       LYS  13  14.597   3.432  -8.628
   98    H    HIS  14           H        HIS  14   7.556   4.204  -5.825
   99    HA   HIS  14           HA       HIS  14   6.754   4.085  -3.004
  100   1HB   HIS  14          HB2       HIS  14   7.949   6.179  -3.199
  101   2HB   HIS  14          HB3       HIS  14   7.092   6.599  -4.692
  102    HD2  HIS  14           HD2      HIS  14   5.320   8.370  -4.277
  103    HE1  HIS  14           HE1      HIS  14   3.761   7.006  -0.556
  104    HE2  HIS  14           HE2      HIS  14   3.489   8.722  -2.430
  105    H    HIS  15           H        HIS  15   4.470   4.691  -2.886
  106    HA   HIS  15           HA       HIS  15   2.914   3.348  -4.903
  107   1HB   HIS  15          HB2       HIS  15   2.273   4.578  -2.215
  108   2HB   HIS  15          HB3       HIS  15   0.997   4.035  -3.298
  109    HD2  HIS  15           HD2      HIS  15   1.215   1.326  -4.132
  110    HE1  HIS  15           HE1      HIS  15   2.739   0.181  -0.323
  111    HE2  HIS  15           HE2      HIS  15   1.660  -0.661  -2.487
  112    H    VAL  16           H        VAL  16   1.239   4.137  -6.120
  113    HA   VAL  16           HA       VAL  16   0.696   7.010  -6.370
  114    HB   VAL  16           HB       VAL  16   1.195   7.041  -8.742
  115   1HG1  VAL  16          1HG1      VAL  16   3.575   6.457  -8.936
  116   2HG1  VAL  16          2HG1      VAL  16   3.256   7.278  -7.381
  117   3HG1  VAL  16          3HG1      VAL  16   3.527   5.513  -7.495
  118   1HG2  VAL  16          1HG2      VAL  16   2.039   5.094 -10.019
  119   2HG2  VAL  16          2HG2      VAL  16   1.754   4.031  -8.638
  120   3HG2  VAL  16          3HG2      VAL  16   0.401   4.840  -9.463
  121    H    GLU  17           H        GLU  17  -1.409   7.238  -7.703
  122    HA   GLU  17           HA       GLU  17  -3.188   4.873  -7.239
  123   1HB   GLU  17          HB2       GLU  17  -4.936   6.729  -7.750
  124   2HB   GLU  17          HB3       GLU  17  -4.204   6.588  -6.154
  125   1HG   GLU  17          HG2       GLU  17  -4.420   8.955  -6.904
  126   2HG   GLU  17          HG3       GLU  17  -2.750   8.483  -6.571
  127    H    THR  18           H        THR  18  -1.624   6.756  -9.695
  128    HA   THR  18           HA       THR  18  -2.973   5.152 -11.798
  129    HB   THR  18           HB       THR  18  -2.376   8.141 -11.719
  130    HG1  THR  18           HG1      THR  18  -4.144   7.948 -10.705
  131   1HG2  THR  18          1HG2      THR  18  -2.716   8.228 -13.971
  132   2HG2  THR  18          2HG2      THR  18  -2.601   6.467 -14.059
  133   3HG2  THR  18          3HG2      THR  18  -4.180   7.293 -13.857
  134    H    ARG  19           H        ARG  19  -1.444   4.226 -13.239
  135    HA   ARG  19           HA       ARG  19   1.296   5.328 -13.324
  136   1HB   ARG  19          HB2       ARG  19   2.400   3.270 -12.841
  137   2HB   ARG  19          HB3       ARG  19   1.262   3.506 -11.514
  138   1HG   ARG  19          HG2       ARG  19  -0.313   1.892 -12.485
  139   2HG   ARG  19          HG3       ARG  19   0.695   1.701 -13.923
  140   1HD   ARG  19          HD2       ARG  19   2.276   0.419 -12.962
  141   2HD   ARG  19          HD3       ARG  19   1.844   0.813 -11.323
  142    HE   ARG  19           HE       ARG  19  -0.477  -0.248 -12.239
  143   1HH1  ARG  19          1HH2      ARG  19   2.768  -1.732 -12.133
  144   2HH1  ARG  19          2HH2      ARG  19   2.214  -3.266 -12.654
  145   1HH2  ARG  19          1HH1      ARG  19  -1.155  -2.355 -13.044
  146   2HH2  ARG  19          2HH1      ARG  19   0.066  -3.569 -13.232
  147    H    TRP  20           H        TRP  20   2.579   4.181 -14.897
  148    HA   TRP  20           HA       TRP  20   1.198   3.092 -17.317
  149   1HB   TRP  20          HB2       TRP  20   3.927   4.414 -16.937
  150   2HB   TRP  20          HB3       TRP  20   3.282   3.803 -18.443
  151    HD1  TRP  20           HD1      TRP  20   3.015   6.762 -16.079
  152    HE1  TRP  20           HE1      TRP  20   1.500   8.568 -17.041
  153    HE3  TRP  20           HE3      TRP  20   1.495   4.370 -20.292
  154    HZ2  TRP  20           HZ2      TRP  20  -0.413   8.834 -19.169
  155    HZ3  TRP  20           HZ3      TRP  20  -0.210   5.423 -21.805
  156    HH2  TRP  20           HH2      TRP  20  -1.174   7.652 -21.238
  157    H    HIS  21           H        HIS  21   1.917   0.956 -17.733
  158    HA   HIS  21           HA       HIS  21   3.847  -0.196 -15.800
  159   1HB   HIS  21          HB2       HIS  21   1.907  -0.758 -14.711
  160   2HB   HIS  21          HB3       HIS  21   0.926  -0.787 -16.158
  161    HD2  HIS  21           HD2      HIS  21   4.029  -3.055 -15.948
  162    HE1  HIS  21           HE1      HIS  21   0.621  -5.577 -15.648
  163    HE2  HIS  21           HE2      HIS  21   3.146  -5.525 -15.913
  164    H    CYS  22           H        CYS  22   5.326  -1.284 -16.837
  165    HA   CYS  22           HA       CYS  22   5.289  -1.893 -19.649
  166   1HB   CYS  22          HB2       CYS  22   7.128  -1.827 -17.321
  167   2HB   CYS  22          HB3       CYS  22   7.424  -3.185 -18.378
  168    H    THR  23           H        THR  23   4.431  -3.536 -20.549
  169    HA   THR  23           HA       THR  23   3.943  -6.032 -18.964
  170    HB   THR  23           HB       THR  23   2.247  -6.660 -20.666
  171    HG1  THR  23           HG1      THR  23   3.142  -4.390 -21.833
  172   1HG2  THR  23          1HG2      THR  23   1.973  -4.001 -19.275
  173   2HG2  THR  23          2HG2      THR  23   0.615  -5.079 -19.752
  174   3HG2  THR  23          3HG2      THR  23   1.726  -5.596 -18.479
  175    H    VAL  24           H        VAL  24   6.310  -5.019 -20.353
  176    HA   VAL  24           HA       VAL  24   7.313  -7.196 -22.019
  177    HB   VAL  24           HB       VAL  24   7.388  -4.987 -22.922
  178   1HG1  VAL  24          1HG1      VAL  24   7.012  -3.205 -21.786
  179   2HG1  VAL  24          2HG1      VAL  24   7.475  -3.906 -20.250
  180   3HG1  VAL  24          3HG1      VAL  24   8.718  -3.225 -21.255
  181   1HG2  VAL  24          1HG2      VAL  24   9.643  -6.155 -23.027
  182   2HG2  VAL  24          2HG2      VAL  24   9.743  -4.390 -23.099
  183   3HG2  VAL  24          3HG2      VAL  24  10.105  -5.208 -21.572
  184    H    CYS  25           H        CYS  25   8.272  -4.991 -19.441
  185    HA   CYS  25           HA       CYS  25  10.266  -6.644 -18.227
  186   1HB   CYS  25          HB2       CYS  25   8.817  -4.250 -17.040
  187   2HB   CYS  25          HB3       CYS  25  10.444  -4.790 -16.667
  188    H    GLU  26           H        GLU  26  10.050  -6.950 -15.686
  189    HA   GLU  26           HA       GLU  26   7.688  -8.547 -15.094
  190   1HB   GLU  26          HB2       GLU  26  10.409  -8.145 -13.927
  191   2HB   GLU  26          HB3       GLU  26   9.106  -8.476 -12.766
  192   1HG   GLU  26          HG2       GLU  26   8.424 -10.448 -13.993
  193   2HG   GLU  26          HG3       GLU  26   9.731 -10.206 -15.176
  194    H    ASP  27           H        ASP  27   6.023  -6.995 -15.116
  195    HA   ASP  27           HA       ASP  27   4.651  -5.345 -14.344
  196   1HB   ASP  27          HB2       ASP  27   4.355  -7.291 -12.801
  197   2HB   ASP  27          HB3       ASP  27   5.432  -6.519 -11.666
  198    H    TYR  28           H        TYR  28   7.126  -4.291 -14.893
  199    HA   TYR  28           HA       TYR  28   8.021  -2.408 -12.889
  200   1HB   TYR  28          HB2       TYR  28   9.394  -3.338 -14.771
  201   2HB   TYR  28          HB3       TYR  28   8.397  -2.459 -15.907
  202    HD1  TYR  28           HD1      TYR  28  11.426  -2.346 -14.043
  203    HD2  TYR  28           HD2      TYR  28   8.318   0.135 -15.728
  204    HE1  TYR  28           HE1      TYR  28  12.917  -0.403 -13.897
  205    HE2  TYR  28           HE2      TYR  28   9.843   2.079 -15.624
  206    HH   TYR  28           HH       TYR  28  13.121   1.887 -14.218
  207    H    ASP  29           H        ASP  29   7.522  -0.186 -12.752
  208    HA   ASP  29           HA       ASP  29   5.029   0.666 -14.164
  209   1HB   ASP  29          HB2       ASP  29   5.585   1.713 -11.414
  210   2HB   ASP  29          HB3       ASP  29   4.067   1.367 -12.233
  211    H    LEU  30           H        LEU  30   4.704   3.002 -14.119
  212    HA   LEU  30           HA       LEU  30   6.840   4.679 -13.061
  213   1HB   LEU  30          HB2       LEU  30   5.947   4.668 -15.979
  214   2HB   LEU  30          HB3       LEU  30   6.709   6.034 -15.182
  215    HG   LEU  30           HG       LEU  30   7.943   3.276 -15.638
  216   1HD1  LEU  30          1HD1      LEU  30   7.803   4.813 -17.615
  217   2HD1  LEU  30          2HD1      LEU  30   8.826   5.972 -16.719
  218   3HD1  LEU  30          3HD1      LEU  30   9.477   4.387 -17.130
  219   1HD2  LEU  30          1HD2      LEU  30   9.222   5.761 -14.387
  220   2HD2  LEU  30          2HD2      LEU  30   8.864   4.276 -13.507
  221   3HD2  LEU  30          3HD2      LEU  30  10.086   4.257 -14.747
  222    H    CYS  31           H        CYS  31   5.871   6.453 -12.045
  223    HA   CYS  31           HA       CYS  31   3.062   6.996 -12.352
  224   1HB   CYS  31          HB2       CYS  31   3.535   9.002 -11.088
  225   2HB   CYS  31          HB3       CYS  31   4.347   7.686 -10.308
  226    H    ILE  32           H        ILE  32   2.387   9.192 -13.119
  227    HA   ILE  32           HA       ILE  32   2.843   9.349 -15.859
  228    HB   ILE  32           HB       ILE  32   1.889  11.646 -14.075
  229   1HG1  ILE  32          2HG1      ILE  32   0.495   9.746 -13.454
  230   2HG1  ILE  32          3HG1      ILE  32  -0.438  10.882 -14.427
  231   1HG2  ILE  32          1HG2      ILE  32   2.322  12.404 -16.272
  232   2HG2  ILE  32          2HG2      ILE  32   1.562  10.977 -17.018
  233   3HG2  ILE  32          3HG2      ILE  32   0.570  12.200 -16.181
  234   1HD1  ILE  32          1HD1      ILE  32   0.613   8.165 -15.200
  235   2HD1  ILE  32          2HD1      ILE  32  -1.046   8.742 -15.153
  236   3HD1  ILE  32          3HD1      ILE  32  -0.015   9.364 -16.413
  237    H    ASN  33           H        ASN  33   4.331  11.326 -13.312
  238    HA   ASN  33           HA       ASN  33   5.764  13.035 -15.153
  239   1HB   ASN  33          HB2       ASN  33   5.546  13.848 -12.851
  240   2HB   ASN  33          HB3       ASN  33   6.097  12.322 -12.180
  241   1HD2  ASN  33          2HD2      ASN  33   8.362  11.805 -12.105
  242   2HD2  ASN  33          1HD2      ASN  33   9.541  13.079 -12.278
  243    H    CYS  34           H        CYS  34   6.731  10.047 -13.474
  244    HA   CYS  34           HA       CYS  34   9.403  10.130 -14.539
  245   1HB   CYS  34          HB2       CYS  34   7.732   8.007 -13.139
  246   2HB   CYS  34          HB3       CYS  34   9.325   7.679 -13.858
  247    H    TYR  35           H        TYR  35   6.386   8.537 -15.628
  248    HA   TYR  35           HA       TYR  35   7.543   7.182 -17.864
  249   1HB   TYR  35          HB2       TYR  35   5.276   6.749 -17.216
  250   2HB   TYR  35          HB3       TYR  35   4.790   8.413 -17.488
  251    HD1  TYR  35           HD1      TYR  35   6.172   5.402 -19.233
  252    HD2  TYR  35           HD2      TYR  35   3.981   9.089 -19.616
  253    HE1  TYR  35           HE1      TYR  35   5.637   4.821 -21.579
  254    HE2  TYR  35           HE2      TYR  35   3.483   8.543 -21.990
  255    HH   TYR  35           HH       TYR  35   3.729   6.975 -23.710
  256    H    ASN  36           H        ASN  36   6.173  10.450 -17.530
  257    HA   ASN  36           HA       ASN  36   6.718  11.456 -20.089
  258   1HB   ASN  36          HB2       ASN  36   6.138  12.657 -17.362
  259   2HB   ASN  36          HB3       ASN  36   6.504  13.720 -18.673
  260   1HD2  ASN  36          2HD2      ASN  36   4.108  14.188 -17.718
  261   2HD2  ASN  36          1HD2      ASN  36   2.866  13.474 -18.735
  262    H    THR  37           H        THR  37   9.050  10.862 -17.562
  263    HA   THR  37           HA       THR  37  11.003  12.611 -19.047
  264    HB   THR  37           HB       THR  37  12.130  13.023 -16.897
  265    HG1  THR  37           HG1      THR  37   9.706  12.251 -15.719
  266   1HG2  THR  37          1HG2      THR  37  10.610  14.798 -16.125
  267   2HG2  THR  37          2HG2      THR  37  10.634  14.736 -17.897
  268   3HG2  THR  37          3HG2      THR  37   9.263  14.070 -17.011
  269    H    LYS  38           H        LYS  38  10.401   9.378 -17.977
  270    HA   LYS  38           HA       LYS  38  13.219   8.807 -18.492
  271   1HB   LYS  38          HB2       LYS  38  11.245   7.217 -16.856
  272   2HB   LYS  38          HB3       LYS  38  12.799   6.601 -17.378
  273   1HG   LYS  38          HG2       LYS  38  13.408   7.485 -15.321
  274   2HG   LYS  38          HG3       LYS  38  13.803   8.805 -16.465
  275   1HD   LYS  38          HD2       LYS  38  12.008  10.040 -15.934
  276   2HD   LYS  38          HD3       LYS  38  11.191   8.747 -14.995
  277   1HE   LYS  38          HE2       LYS  38  13.797   9.962 -14.080
  278   2HE   LYS  38          HE3       LYS  38  12.242  10.772 -13.759
  279   1HZ   LYS  38          HZ1       LYS  38  12.777   9.405 -11.894
  280   2HZ   LYS  38          HZ2       LYS  38  11.531   8.699 -12.628
  281   3HZ   LYS  38          HZ3       LYS  38  13.070   8.119 -12.813
  282    H    SER  39           H        SER  39  10.465   9.027 -20.150
  283    HA   SER  39           HA       SER  39   9.428   8.019 -21.874
  284   1HB   SER  39          HB2       SER  39  12.278   8.398 -22.848
  285   2HB   SER  39          HB3       SER  39  10.809   8.516 -23.837
  286    HG   SER  39           HG       SER  39  10.150  10.278 -22.434
  287    H    HIS  40           H        HIS  40   9.515   5.859 -20.450
  288    HA   HIS  40           HA       HIS  40  11.041   3.664 -21.458
  289   1HB   HIS  40          HB2       HIS  40   9.218   4.208 -19.334
  290   2HB   HIS  40          HB3       HIS  40   8.418   3.017 -20.319
  291    HD1  HIS  40           HD1      HIS  40  11.475   3.291 -18.003
  292    HD2  HIS  40           HD2      HIS  40   9.407   0.607 -20.463
  293    HE1  HIS  40           HE1      HIS  40  12.283   0.961 -17.341
  294    H    THR  41           H        THR  41  10.827   2.877 -23.463
  295    HA   THR  41           HA       THR  41   8.538   3.725 -25.001
  296    HB   THR  41           HB       THR  41  10.796   2.255 -26.264
  297    HG1  THR  41           HG1      THR  41  11.241   4.662 -24.845
  298   1HG2  THR  41          1HG2      THR  41  10.805   4.201 -27.788
  299   2HG2  THR  41          2HG2      THR  41   9.178   3.516 -27.605
  300   3HG2  THR  41          3HG2      THR  41   9.602   5.015 -26.752
  301    H    HIS  42           H        HIS  42   8.945   0.875 -23.227
  302    HA   HIS  42           HA       HIS  42   8.495  -1.034 -25.354
  303   1HB   HIS  42          HB2       HIS  42   8.099  -1.310 -22.382
  304   2HB   HIS  42          HB3       HIS  42   8.417  -2.599 -23.566
  305    HD2  HIS  42           HD2      HIS  42  11.064  -1.185 -24.940
  306    HE1  HIS  42           HE1      HIS  42  12.600  -1.115 -20.943
  307    HE2  HIS  42           HE2      HIS  42  13.206  -0.945 -23.408
  308    H    LYS  43           H        LYS  43   6.596  -2.661 -25.082
  309    HA   LYS  43           HA       LYS  43   4.185  -1.126 -25.253
  310   1HB   LYS  43          HB2       LYS  43   4.625  -3.239 -26.600
  311   2HB   LYS  43          HB3       LYS  43   4.282  -4.145 -25.121
  312   1HG   LYS  43          HG2       LYS  43   2.148  -2.298 -25.234
  313   2HG   LYS  43          HG3       LYS  43   2.487  -2.546 -26.940
  314   1HD   LYS  43          HD2       LYS  43   0.739  -4.039 -26.393
  315   2HD   LYS  43          HD3       LYS  43   2.202  -5.035 -26.515
  316   1HE   LYS  43          HE2       LYS  43   0.976  -5.773 -24.590
  317   2HE   LYS  43          HE3       LYS  43   2.459  -4.971 -24.058
  318   1HZ   LYS  43          HZ1       LYS  43  -0.300  -3.883 -23.907
  319   2HZ   LYS  43          HZ2       LYS  43   0.737  -4.246 -22.694
  320   3HZ   LYS  43          HZ3       LYS  43   1.026  -2.972 -23.631
  321    H    MET  44           H        MET  44   3.839  -0.143 -23.380
  322    HA   MET  44           HA       MET  44   3.397  -1.578 -20.845
  323   1HB   MET  44          HB2       MET  44   3.380   1.310 -21.825
  324   2HB   MET  44          HB3       MET  44   2.791   0.890 -20.208
  325   1HG   MET  44          HG2       MET  44   4.740   0.140 -19.443
  326   2HG   MET  44          HG3       MET  44   5.498  -0.099 -21.024
  327   1HE   MET  44          HE1       MET  44   6.176   1.182 -18.014
  328   2HE   MET  44          HE2       MET  44   6.290   2.967 -17.966
  329   3HE   MET  44          HE3       MET  44   4.712   2.177 -17.948
  330    H    VAL  45           H        VAL  45   1.365  -0.554 -19.740
  331    HA   VAL  45           HA       VAL  45  -1.116  -0.430 -21.219
  332    HB   VAL  45           HB       VAL  45  -2.089  -1.600 -19.230
  333   1HG1  VAL  45          1HG1      VAL  45  -1.784  -3.867 -20.112
  334   2HG1  VAL  45          2HG1      VAL  45  -1.850  -2.740 -21.469
  335   3HG1  VAL  45          3HG1      VAL  45  -0.263  -3.379 -20.913
  336   1HG2  VAL  45          1HG2      VAL  45   0.735  -2.520 -18.723
  337   2HG2  VAL  45          2HG2      VAL  45  -0.315  -1.510 -17.707
  338   3HG2  VAL  45          3HG2      VAL  45  -0.669  -3.244 -17.973
  339    H    LYS  46           H        LYS  46  -2.629   0.626 -19.223
  340    HA   LYS  46           HA       LYS  46  -1.033   2.283 -17.406
  341   1HB   LYS  46          HB2       LYS  46  -1.268   3.572 -19.565
  342   2HB   LYS  46          HB3       LYS  46  -3.032   3.521 -19.356
  343   1HG   LYS  46          HG2       LYS  46  -1.117   4.806 -17.352
  344   2HG   LYS  46          HG3       LYS  46  -1.756   5.633 -18.776
  345   1HD   LYS  46          HD2       LYS  46  -4.105   5.276 -17.860
  346   2HD   LYS  46          HD3       LYS  46  -3.350   4.709 -16.364
  347   1HE   LYS  46          HE2       LYS  46  -3.745   6.998 -16.024
  348   2HE   LYS  46          HE3       LYS  46  -2.004   6.852 -16.280
  349   1HZ   LYS  46          HZ1       LYS  46  -2.452   7.599 -18.610
  350   2HZ   LYS  46          HZ2       LYS  46  -4.045   7.798 -18.174
  351   3HZ   LYS  46          HZ3       LYS  46  -2.960   8.678 -17.456
  352    H    TRP  47           H        TRP  47  -2.232   2.607 -15.563
  353    HA   TRP  47           HA       TRP  47  -5.048   1.669 -15.508
  354   1HB   TRP  47          HB2       TRP  47  -2.947   1.021 -13.392
  355   2HB   TRP  47          HB3       TRP  47  -4.595   0.412 -13.469
  356    HD1  TRP  47           HD1      TRP  47  -1.140  -0.323 -14.483
  357    HE1  TRP  47           HE1      TRP  47  -0.962  -2.425 -15.937
  358    HE3  TRP  47           HE3      TRP  47  -6.015  -0.680 -15.896
  359    HZ2  TRP  47           HZ2      TRP  47  -2.679  -3.857 -17.785
  360    HZ3  TRP  47           HZ3      TRP  47  -6.647  -2.277 -17.725
  361    HH2  TRP  47           HH2      TRP  47  -5.008  -3.877 -18.612
  362    H    GLY  48           H        GLY  48  -6.269   3.298 -14.407
  363   1HA   GLY  48          HA2       GLY  48  -4.738   5.319 -12.934
  364   2HA   GLY  48          HA3       GLY  48  -5.665   5.803 -14.398
  365    H    LEU  49           H        LEU  49  -5.920   6.403 -11.512
  366    HA   LEU  49           HA       LEU  49  -8.760   5.768 -11.246
  367   1HB   LEU  49          HB2       LEU  49  -6.756   4.301  -9.887
  368   2HB   LEU  49          HB3       LEU  49  -7.405   5.351  -8.660
  369    HG   LEU  49           HG       LEU  49  -8.470   3.211  -8.726
  370   1HD1  LEU  49          1HD1      LEU  49 -10.794   3.842  -8.650
  371   2HD1  LEU  49          2HD1      LEU  49  -9.800   5.154  -7.996
  372   3HD1  LEU  49          3HD1      LEU  49 -10.491   5.300  -9.634
  373   1HD2  LEU  49          1HD2      LEU  49  -9.678   3.751 -11.430
  374   2HD2  LEU  49          2HD2      LEU  49  -8.268   2.692 -11.124
  375   3HD2  LEU  49          3HD2      LEU  49  -9.839   2.295 -10.420
  376    H    GLY  50           H        GLY  50  -6.353   8.193 -11.009
  377   1HA   GLY  50          HA2       GLY  50  -8.346   9.918  -9.671
  378   2HA   GLY  50          HA3       GLY  50  -6.771   9.683  -8.864
  379    H    LEU  51           H        LEU  51  -5.088   9.701 -11.163
  380    HA   LEU  51           HA       LEU  51  -5.487  12.416 -12.322
  381   1HB   LEU  51          HB2       LEU  51  -3.025  11.242 -10.959
  382   2HB   LEU  51          HB3       LEU  51  -3.010  12.747 -11.877
  383    HG   LEU  51           HG       LEU  51  -4.678  12.282  -9.340
  384   1HD1  LEU  51          1HD1      LEU  51  -2.995  13.627  -8.154
  385   2HD1  LEU  51          2HD1      LEU  51  -2.313  12.138  -8.826
  386   3HD1  LEU  51          3HD1      LEU  51  -1.998  13.683  -9.641
  387   1HD2  LEU  51          1HD2      LEU  51  -5.587  14.081 -10.774
  388   2HD2  LEU  51          2HD2      LEU  51  -4.871  14.781  -9.330
  389   3HD2  LEU  51          3HD2      LEU  51  -3.975  14.833 -10.862
  390    H    ASP  52           H        ASP  52  -6.311  10.679 -13.962
  391    HA   ASP  52           HA       ASP  52  -4.434   8.917 -15.186
  392   1HB   ASP  52          HB2       ASP  52  -6.993   8.766 -15.243
  393   2HB   ASP  52          HB3       ASP  52  -6.946   9.945 -16.550
  Start of MODEL   12
    1   1H    GLY   1           H1       GLY   1   4.390  -2.080  -9.870
    2   2H    GLY   1           H2       GLY   1   5.562  -3.187  -9.547
    3   3H    GLY   1           H3       GLY   1   4.193  -3.625 -10.344
    4   1HA   GLY   1          HA2       GLY   1   4.038  -4.422  -8.116
    5   2HA   GLY   1          HA3       GLY   1   4.292  -2.752  -7.547
    6    H    GLN   2           H        GLN   2   1.883  -4.606  -7.145
    7    HA   GLN   2           HA       GLN   2  -0.106  -2.631  -7.933
    8   1HB   GLN   2          HB2       GLN   2  -1.442  -4.076  -9.221
    9   2HB   GLN   2          HB3       GLN   2   0.158  -4.277  -9.876
   10   1HG   GLN   2          HG2       GLN   2  -1.429  -6.211  -8.169
   11   2HG   GLN   2          HG3       GLN   2  -0.910  -6.387  -9.851
   12   1HE2  GLN   2          2HE2      GLN   2   1.937  -6.022  -9.775
   13   2HE2  GLN   2          1HE2      GLN   2   2.537  -7.200  -8.642
   14    H    ASP   3           H        ASP   3  -2.269  -3.045  -7.090
   15    HA   ASP   3           HA       ASP   3  -2.638  -4.708  -4.721
   16   1HB   ASP   3          HB2       ASP   3  -1.375  -2.568  -4.049
   17   2HB   ASP   3          HB3       ASP   3  -2.855  -1.700  -4.517
   18    H    ARG   4           H        ARG   4  -5.018  -3.177  -3.897
   19    HA   ARG   4           HA       ARG   4  -6.907  -4.079  -5.875
   20   1HB   ARG   4          HB2       ARG   4  -7.262  -2.252  -3.460
   21   2HB   ARG   4          HB3       ARG   4  -8.558  -2.985  -4.390
   22   1HG   ARG   4          HG2       ARG   4  -8.592  -4.614  -2.913
   23   2HG   ARG   4          HG3       ARG   4  -7.162  -5.246  -3.703
   24   1HD   ARG   4          HD2       ARG   4  -6.731  -3.204  -1.521
   25   2HD   ARG   4          HD3       ARG   4  -7.407  -4.757  -1.009
   26    HE   ARG   4           HE       ARG   4  -4.738  -4.126  -1.860
   27   1HH1  ARG   4          1HH2      ARG   4  -6.954  -6.837  -1.356
   28   2HH1  ARG   4          2HH2      ARG   4  -5.675  -8.025  -1.388
   29   1HH2  ARG   4          2HH1      ARG   4  -3.161  -5.599  -1.884
   30   2HH2  ARG   4          1HH1      ARG   4  -3.398  -7.301  -1.826
   31    H    PHE   5           H        PHE   5  -5.750  -0.848  -4.859
   32    HA   PHE   5           HA       PHE   5  -6.416   0.291  -7.489
   33   1HB   PHE   5          HB2       PHE   5  -7.584   2.264  -6.329
   34   2HB   PHE   5          HB3       PHE   5  -8.490   0.779  -6.437
   35    HD1  PHE   5           HD1      PHE   5  -6.444   2.787  -4.079
   36    HD2  PHE   5           HD2      PHE   5  -9.347  -0.340  -4.551
   37    HE1  PHE   5           HE1      PHE   5  -6.715   2.690  -1.611
   38    HE2  PHE   5           HE2      PHE   5  -9.637  -0.443  -2.087
   39    HZ   PHE   5           HZ       PHE   5  -8.296   1.059  -0.603
   40    H    VAL   6           H        VAL   6  -4.056  -0.426  -5.778
   41    HA   VAL   6           HA       VAL   6  -2.652   2.170  -5.787
   42    HB   VAL   6           HB       VAL   6  -3.221   0.307  -3.496
   43   1HG1  VAL   6          1HG1      VAL   6  -1.219   0.809  -2.298
   44   2HG1  VAL   6          2HG1      VAL   6  -0.832  -0.136  -3.733
   45   3HG1  VAL   6          3HG1      VAL   6  -0.483   1.610  -3.704
   46   1HG2  VAL   6          1HG2      VAL   6  -2.561   3.269  -3.780
   47   2HG2  VAL   6          2HG2      VAL   6  -4.163   2.534  -3.592
   48   3HG2  VAL   6          3HG2      VAL   6  -3.006   2.426  -2.250
   49    H    TYR   7           H        TYR   7  -0.502   1.934  -6.309
   50    HA   TYR   7           HA       TYR   7   0.618  -0.621  -7.200
   51   1HB   TYR   7          HB2       TYR   7   0.171   1.803  -8.985
   52   2HB   TYR   7          HB3       TYR   7   0.814   0.211  -9.462
   53    HD1  TYR   7           HD1      TYR   7  -0.718  -1.723  -9.739
   54    HD2  TYR   7           HD2      TYR   7  -2.216   2.215  -8.809
   55    HE1  TYR   7           HE1      TYR   7  -3.066  -2.546 -10.006
   56    HE2  TYR   7           HE2      TYR   7  -4.498   1.404  -8.970
   57    HH   TYR   7           HH       TYR   7  -5.304  -2.013  -9.576
   58    H    THR   8           H        THR   8   2.728   0.663  -8.569
   59    HA   THR   8           HA       THR   8   3.796   2.709  -6.698
   60    HB   THR   8           HB       THR   8   6.018   1.305  -7.315
   61    HG1  THR   8           HG1      THR   8   5.160  -0.269  -8.525
   62   1HG2  THR   8          1HG2      THR   8   4.048   0.548  -5.116
   63   2HG2  THR   8          2HG2      THR   8   5.716  -0.093  -5.275
   64   3HG2  THR   8          3HG2      THR   8   5.445   1.622  -5.009
   65    H    CYS   9           H        CYS   9   5.797   3.743  -7.686
   66    HA   CYS   9           HA       CYS   9   5.785   3.833 -10.674
   67   1HB   CYS   9          HB2       CYS   9   5.555   6.186  -9.755
   68   2HB   CYS   9          HB3       CYS   9   6.873   5.866  -8.628
   69    H    ASN  10           H        ASN  10   7.284   2.185 -11.047
   70    HA   ASN  10           HA       ASN  10   9.097   1.393  -9.026
   71   1HB   ASN  10          HB2       ASN  10   8.159  -0.039 -10.894
   72   2HB   ASN  10          HB3       ASN  10   9.415   0.683 -11.940
   73   1HD2  ASN  10          2HD2      ASN  10  10.889  -0.954 -12.137
   74   2HD2  ASN  10          1HD2      ASN  10  11.578  -1.849 -10.771
   75    H    GLU  11           H        GLU  11   9.177   4.257 -10.681
   76    HA   GLU  11           HA       GLU  11  12.098   4.243 -10.637
   77   1HB   GLU  11          HB2       GLU  11  10.236   5.710 -12.282
   78   2HB   GLU  11          HB3       GLU  11  11.301   6.822 -11.422
   79   1HG   GLU  11          HG2       GLU  11  12.347   4.409 -12.942
   80   2HG   GLU  11          HG3       GLU  11  12.312   6.027 -13.595
   81    H    CYS  12           H        CYS  12   9.285   5.404  -8.934
   82    HA   CYS  12           HA       CYS  12  10.969   7.164  -7.219
   83   1HB   CYS  12          HB2       CYS  12   7.988   6.618  -7.036
   84   2HB   CYS  12          HB3       CYS  12   8.895   7.890  -6.197
   85    H    LYS  13           H        LYS  13   9.480   4.070  -7.393
   86    HA   LYS  13           HA       LYS  13   9.117   2.291  -6.035
   87   1HB   LYS  13          HB2       LYS  13  11.860   3.128  -5.047
   88   2HB   LYS  13          HB3       LYS  13  10.984   1.763  -4.352
   89   1HG   LYS  13          HG2       LYS  13  11.737   0.456  -5.985
   90   2HG   LYS  13          HG3       LYS  13  10.663   1.293  -7.081
   91   1HD   LYS  13          HD2       LYS  13  13.635   1.616  -6.711
   92   2HD   LYS  13          HD3       LYS  13  12.660   1.226  -8.140
   93   1HE   LYS  13          HE2       LYS  13  11.730   3.574  -8.049
   94   2HE   LYS  13          HE3       LYS  13  12.947   3.969  -6.846
   95   1HZ   LYS  13          HZ1       LYS  13  13.630   4.540  -9.072
   96   2HZ   LYS  13          HZ2       LYS  13  14.637   3.374  -8.553
   97   3HZ   LYS  13          HZ3       LYS  13  13.390   3.058  -9.613
   98    H    HIS  14           H        HIS  14   7.756   4.485  -5.634
   99    HA   HIS  14           HA       HIS  14   6.876   4.129  -2.870
  100   1HB   HIS  14          HB2       HIS  14   7.945   6.346  -2.941
  101   2HB   HIS  14          HB3       HIS  14   6.975   6.787  -4.366
  102    HD2  HIS  14           HD2      HIS  14   4.738   7.942  -3.882
  103    HE1  HIS  14           HE1      HIS  14   3.769   6.203  -0.121
  104    HE2  HIS  14           HE2      HIS  14   2.950   7.732  -2.002
  105    H    HIS  15           H        HIS  15   4.539   4.746  -2.787
  106    HA   HIS  15           HA       HIS  15   3.134   3.214  -4.753
  107   1HB   HIS  15          HB2       HIS  15   1.819   2.867  -3.024
  108   2HB   HIS  15          HB3       HIS  15   2.659   4.064  -2.055
  109    HD2  HIS  15           HD2      HIS  15  -0.355   3.740  -4.429
  110    HE1  HIS  15           HE1      HIS  15  -0.757   7.510  -2.490
  111    HE2  HIS  15           HE2      HIS  15  -1.863   5.887  -4.115
  112    H    VAL  16           H        VAL  16   1.424   3.818  -6.079
  113    HA   VAL  16           HA       VAL  16   0.707   6.589  -6.451
  114    HB   VAL  16           HB       VAL  16   1.204   6.738  -8.808
  115   1HG1  VAL  16          1HG1      VAL  16   3.140   7.349  -7.492
  116   2HG1  VAL  16          2HG1      VAL  16   3.718   5.649  -7.478
  117   3HG1  VAL  16          3HG1      VAL  16   3.600   6.505  -9.002
  118   1HG2  VAL  16          1HG2      VAL  16   2.045   3.828  -8.604
  119   2HG2  VAL  16          2HG2      VAL  16   0.693   4.486  -9.528
  120   3HG2  VAL  16          3HG2      VAL  16   2.339   4.864 -10.038
  121    H    GLU  17           H        GLU  17  -1.398   6.700  -7.659
  122    HA   GLU  17           HA       GLU  17  -2.899   4.164  -7.419
  123   1HB   GLU  17          HB2       GLU  17  -4.730   5.399  -6.917
  124   2HB   GLU  17          HB3       GLU  17  -3.455   6.297  -6.132
  125   1HG   GLU  17          HG2       GLU  17  -4.984   6.987  -8.677
  126   2HG   GLU  17          HG3       GLU  17  -5.014   7.868  -7.167
  127    H    THR  18           H        THR  18  -1.703   6.483  -9.694
  128    HA   THR  18           HA       THR  18  -3.068   5.092 -11.926
  129    HB   THR  18           HB       THR  18  -2.419   8.066 -11.624
  130    HG1  THR  18           HG1      THR  18  -4.114   7.992 -10.675
  131   1HG2  THR  18          1HG2      THR  18  -2.593   6.698 -14.090
  132   2HG2  THR  18          2HG2      THR  18  -4.268   7.250 -13.805
  133   3HG2  THR  18          3HG2      THR  18  -2.991   8.416 -13.843
  134    H    ARG  19           H        ARG  19  -1.572   4.391 -13.486
  135    HA   ARG  19           HA       ARG  19   1.212   5.414 -13.429
  136   1HB   ARG  19          HB2       ARG  19   2.255   3.394 -12.855
  137   2HB   ARG  19          HB3       ARG  19   1.005   3.658 -11.641
  138   1HG   ARG  19          HG2       ARG  19  -0.470   2.133 -13.291
  139   2HG   ARG  19          HG3       ARG  19   1.122   1.600 -13.882
  140   1HD   ARG  19          HD2       ARG  19   1.069   1.626 -11.012
  141   2HD   ARG  19          HD3       ARG  19  -0.382   0.781 -11.606
  142    HE   ARG  19           HE       ARG  19   2.456   0.001 -11.865
  143   1HH1  ARG  19          1HH1      ARG  19  -0.910  -1.111 -12.208
  144   2HH1  ARG  19          2HH1      ARG  19  -0.399  -2.686 -12.717
  145   1HH2  ARG  19          1HH2      ARG  19   3.006  -2.026 -12.229
  146   2HH2  ARG  19          2HH2      ARG  19   1.934  -3.271 -12.663
  147    H    TRP  20           H        TRP  20   2.555   4.319 -14.975
  148    HA   TRP  20           HA       TRP  20   1.264   3.221 -17.425
  149   1HB   TRP  20          HB2       TRP  20   3.921   4.598 -16.936
  150   2HB   TRP  20          HB3       TRP  20   3.346   3.970 -18.497
  151    HD1  TRP  20           HD1      TRP  20   2.685   6.802 -15.972
  152    HE1  TRP  20           HE1      TRP  20   1.015   8.458 -16.885
  153    HE3  TRP  20           HE3      TRP  20   1.703   4.533 -20.417
  154    HZ2  TRP  20           HZ2      TRP  20  -0.690   8.754 -19.225
  155    HZ3  TRP  20           HZ3      TRP  20   0.065   5.574 -22.019
  156    HH2  TRP  20           HH2      TRP  20  -1.146   7.636 -21.409
  157    H    HIS  21           H        HIS  21   1.870   1.043 -17.739
  158    HA   HIS  21           HA       HIS  21   3.748  -0.147 -15.752
  159   1HB   HIS  21          HB2       HIS  21   1.770  -0.546 -14.705
  160   2HB   HIS  21          HB3       HIS  21   0.837  -0.621 -16.185
  161    HD2  HIS  21           HD2      HIS  21   3.794  -3.082 -16.026
  162    HE1  HIS  21           HE1      HIS  21   0.328  -5.327 -15.082
  163    HE2  HIS  21           HE2      HIS  21   2.811  -5.444 -15.660
  164    H    CYS  22           H        CYS  22   5.238  -1.245 -16.779
  165    HA   CYS  22           HA       CYS  22   5.216  -1.873 -19.596
  166   1HB   CYS  22          HB2       CYS  22   7.041  -1.777 -17.279
  167   2HB   CYS  22          HB3       CYS  22   7.351  -3.128 -18.345
  168    H    THR  23           H        THR  23   4.397  -3.534 -20.497
  169    HA   THR  23           HA       THR  23   3.930  -6.006 -18.902
  170    HB   THR  23           HB       THR  23   2.248  -6.695 -20.594
  171    HG1  THR  23           HG1      THR  23   3.123  -4.427 -21.815
  172   1HG2  THR  23          1HG2      THR  23   1.920  -4.017 -19.274
  173   2HG2  THR  23          2HG2      THR  23   0.572  -5.137 -19.664
  174   3HG2  THR  23          3HG2      THR  23   1.753  -5.556 -18.425
  175    H    VAL  24           H        VAL  24   6.288  -4.926 -20.384
  176    HA   VAL  24           HA       VAL  24   7.367  -7.152 -21.948
  177    HB   VAL  24           HB       VAL  24   7.489  -4.956 -22.883
  178   1HG1  VAL  24          1HG1      VAL  24   7.436  -3.834 -20.238
  179   2HG1  VAL  24          2HG1      VAL  24   8.682  -3.129 -21.214
  180   3HG1  VAL  24          3HG1      VAL  24   6.998  -3.184 -21.803
  181   1HG2  VAL  24          1HG2      VAL  24   9.736  -6.097 -22.910
  182   2HG2  VAL  24          2HG2      VAL  24   9.847  -4.325 -22.923
  183   3HG2  VAL  24          3HG2      VAL  24  10.121  -5.196 -21.404
  184    H    CYS  25           H        CYS  25   8.163  -4.898 -19.368
  185    HA   CYS  25           HA       CYS  25  10.122  -6.499 -18.001
  186   1HB   CYS  25          HB2       CYS  25   8.633  -4.040 -17.024
  187   2HB   CYS  25          HB3       CYS  25  10.214  -4.568 -16.489
  188    H    GLU  26           H        GLU  26   9.923  -6.660 -15.647
  189    HA   GLU  26           HA       GLU  26   7.863  -8.450 -14.948
  190   1HB   GLU  26          HB2       GLU  26  10.490  -8.173 -14.354
  191   2HB   GLU  26          HB3       GLU  26   9.828  -7.413 -12.912
  192   1HG   GLU  26          HG2       GLU  26   8.290  -9.535 -12.842
  193   2HG   GLU  26          HG3       GLU  26   9.393 -10.177 -14.079
  194    H    ASP  27           H        ASP  27   6.104  -6.709 -15.316
  195    HA   ASP  27           HA       ASP  27   4.497  -5.296 -14.570
  196   1HB   ASP  27          HB2       ASP  27   3.970  -7.160 -13.074
  197   2HB   ASP  27          HB3       ASP  27   5.132  -6.550 -11.884
  198    H    TYR  28           H        TYR  28   7.084  -4.322 -14.847
  199    HA   TYR  28           HA       TYR  28   7.885  -2.446 -12.864
  200   1HB   TYR  28          HB2       TYR  28   9.325  -3.294 -14.746
  201   2HB   TYR  28          HB3       TYR  28   8.334  -2.391 -15.881
  202    HD1  TYR  28           HD1      TYR  28  11.270  -2.341 -13.905
  203    HD2  TYR  28           HD2      TYR  28   8.265   0.183 -15.684
  204    HE1  TYR  28           HE1      TYR  28  12.707  -0.325 -13.496
  205    HE2  TYR  28           HE2      TYR  28   9.645   2.158 -15.259
  206    HH   TYR  28           HH       TYR  28  11.491   2.973 -14.000
  207    H    ASP  29           H        ASP  29   7.440  -0.220 -12.683
  208    HA   ASP  29           HA       ASP  29   4.998   0.727 -14.136
  209   1HB   ASP  29          HB2       ASP  29   5.588   1.727 -11.382
  210   2HB   ASP  29          HB3       ASP  29   4.051   1.415 -12.149
  211    H    LEU  30           H        LEU  30   4.726   3.042 -14.142
  212    HA   LEU  30           HA       LEU  30   6.863   4.695 -13.004
  213   1HB   LEU  30          HB2       LEU  30   5.962   4.746 -15.931
  214   2HB   LEU  30          HB3       LEU  30   6.717   6.089 -15.116
  215    HG   LEU  30           HG       LEU  30   7.945   3.340 -15.649
  216   1HD1  LEU  30          1HD1      LEU  30   7.811   4.825 -17.576
  217   2HD1  LEU  30          2HD1      LEU  30   8.742   6.061 -16.670
  218   3HD1  LEU  30          3HD1      LEU  30   9.485   4.493 -17.084
  219   1HD2  LEU  30          1HD2      LEU  30   9.162   5.781 -14.270
  220   2HD2  LEU  30          2HD2      LEU  30   8.930   4.216 -13.503
  221   3HD2  LEU  30          3HD2      LEU  30  10.125   4.375 -14.798
  222    H    CYS  31           H        CYS  31   5.892   6.493 -11.995
  223    HA   CYS  31           HA       CYS  31   3.069   6.986 -12.153
  224   1HB   CYS  31          HB2       CYS  31   3.603   9.078 -11.047
  225   2HB   CYS  31          HB3       CYS  31   4.381   7.773 -10.215
  226    H    ILE  32           H        ILE  32   2.356   9.217 -12.953
  227    HA   ILE  32           HA       ILE  32   2.722   9.313 -15.706
  228    HB   ILE  32           HB       ILE  32   1.841  11.668 -13.972
  229   1HG1  ILE  32          2HG1      ILE  32   0.484   9.876 -13.142
  230   2HG1  ILE  32          3HG1      ILE  32  -0.486  10.874 -14.197
  231   1HG2  ILE  32          1HG2      ILE  32   1.358  10.852 -16.857
  232   2HG2  ILE  32          2HG2      ILE  32   0.443  12.133 -16.013
  233   3HG2  ILE  32          3HG2      ILE  32   2.195  12.298 -16.218
  234   1HD1  ILE  32          1HD1      ILE  32  -0.944   8.489 -14.492
  235   2HD1  ILE  32          2HD1      ILE  32  -0.332   9.209 -15.982
  236   3HD1  ILE  32          3HD1      ILE  32   0.721   8.178 -14.929
  237    H    ASN  33           H        ASN  33   4.324  11.279 -13.216
  238    HA   ASN  33           HA       ASN  33   5.661  13.039 -15.060
  239   1HB   ASN  33          HB2       ASN  33   5.501  13.842 -12.784
  240   2HB   ASN  33          HB3       ASN  33   5.976  12.286 -12.103
  241   1HD2  ASN  33          2HD2      ASN  33   8.198  11.793 -11.766
  242   2HD2  ASN  33          1HD2      ASN  33   9.414  13.028 -12.038
  243    H    CYS  34           H        CYS  34   6.727  10.023 -13.459
  244    HA   CYS  34           HA       CYS  34   9.365  10.180 -14.579
  245   1HB   CYS  34          HB2       CYS  34   7.787   7.930 -13.308
  246   2HB   CYS  34          HB3       CYS  34   9.396   7.740 -14.037
  247    H    TYR  35           H        TYR  35   6.321   8.532 -15.628
  248    HA   TYR  35           HA       TYR  35   7.437   7.272 -17.871
  249   1HB   TYR  35          HB2       TYR  35   5.162   6.874 -17.101
  250   2HB   TYR  35          HB3       TYR  35   4.658   8.476 -17.566
  251    HD1  TYR  35           HD1      TYR  35   6.483   5.545 -19.097
  252    HD2  TYR  35           HD2      TYR  35   3.451   8.557 -19.603
  253    HE1  TYR  35           HE1      TYR  35   6.072   4.711 -21.388
  254    HE2  TYR  35           HE2      TYR  35   3.041   7.728 -21.919
  255    HH   TYR  35           HH       TYR  35   4.921   4.996 -23.296
  256    H    ASN  36           H        ASN  36   6.194  10.581 -17.514
  257    HA   ASN  36           HA       ASN  36   6.543  11.560 -20.108
  258   1HB   ASN  36          HB2       ASN  36   6.109  12.660 -17.374
  259   2HB   ASN  36          HB3       ASN  36   6.804  13.807 -18.463
  260   1HD2  ASN  36          2HD2      ASN  36   4.000  11.805 -17.879
  261   2HD2  ASN  36          1HD2      ASN  36   2.935  12.631 -19.021
  262    H    THR  37           H        THR  37   9.106  10.751 -17.928
  263    HA   THR  37           HA       THR  37  10.958  12.523 -19.518
  264    HB   THR  37           HB       THR  37  12.311  12.656 -17.376
  265    HG1  THR  37           HG1      THR  37   9.881  12.090 -16.081
  266   1HG2  THR  37          1HG2      THR  37  10.977  14.572 -18.161
  267   2HG2  THR  37          2HG2      THR  37   9.546  13.954 -17.330
  268   3HG2  THR  37          3HG2      THR  37  10.966  14.484 -16.395
  269    H    LYS  38           H        LYS  38  10.683   9.570 -17.599
  270    HA   LYS  38           HA       LYS  38  13.249   8.517 -18.274
  271   1HB   LYS  38          HB2       LYS  38  10.803   7.046 -17.262
  272   2HB   LYS  38          HB3       LYS  38  12.459   6.505 -17.156
  273   1HG   LYS  38          HG2       LYS  38  11.307   8.987 -15.763
  274   2HG   LYS  38          HG3       LYS  38  11.420   7.417 -15.022
  275   1HD   LYS  38          HD2       LYS  38  13.831   7.620 -14.896
  276   2HD   LYS  38          HD3       LYS  38  13.832   8.994 -16.035
  277   1HE   LYS  38          HE2       LYS  38  14.117   9.901 -13.834
  278   2HE   LYS  38          HE3       LYS  38  12.520  10.348 -14.414
  279   1HZ   LYS  38          HZ1       LYS  38  12.554   9.608 -12.084
  280   2HZ   LYS  38          HZ2       LYS  38  11.570   8.669 -12.952
  281   3HZ   LYS  38          HZ3       LYS  38  13.093   8.154 -12.541
  282    H    SER  39           H        SER  39  10.763   9.000 -20.391
  283    HA   SER  39           HA       SER  39  10.012   8.040 -22.294
  284   1HB   SER  39          HB2       SER  39  13.022   7.941 -22.676
  285   2HB   SER  39          HB3       SER  39  11.800   8.156 -23.953
  286    HG   SER  39           HG       SER  39  12.432   9.916 -21.831
  287    H    HIS  40           H        HIS  40   9.639   5.969 -20.636
  288    HA   HIS  40           HA       HIS  40  10.982   3.550 -21.413
  289   1HB   HIS  40          HB2       HIS  40   9.154   4.382 -19.409
  290   2HB   HIS  40          HB3       HIS  40   8.271   3.188 -20.338
  291    HD1  HIS  40           HD1      HIS  40  11.249   3.449 -17.965
  292    HD2  HIS  40           HD2      HIS  40   9.289   0.708 -20.457
  293    HE1  HIS  40           HE1      HIS  40  11.977   1.125 -17.181
  294    H    THR  41           H        THR  41  10.858   2.847 -23.405
  295    HA   THR  41           HA       THR  41   8.701   3.708 -25.128
  296    HB   THR  41           HB       THR  41  10.904   2.060 -26.229
  297    HG1  THR  41           HG1      THR  41  11.618   4.334 -24.711
  298   1HG2  THR  41          1HG2      THR  41  11.281   4.059 -27.654
  299   2HG2  THR  41          2HG2      THR  41   9.570   3.608 -27.637
  300   3HG2  THR  41          3HG2      THR  41  10.132   4.992 -26.660
  301    H    HIS  42           H        HIS  42   8.940   0.964 -23.246
  302    HA   HIS  42           HA       HIS  42   8.491  -1.008 -25.300
  303   1HB   HIS  42          HB2       HIS  42   8.014  -1.182 -22.333
  304   2HB   HIS  42          HB3       HIS  42   8.348  -2.497 -23.493
  305    HD2  HIS  42           HD2      HIS  42  11.032  -1.225 -24.827
  306    HE1  HIS  42           HE1      HIS  42  12.523  -1.179 -20.834
  307    HE2  HIS  42           HE2      HIS  42  13.172  -1.082 -23.303
  308    H    LYS  43           H        LYS  43   6.596  -2.597 -25.035
  309    HA   LYS  43           HA       LYS  43   4.182  -1.077 -25.304
  310   1HB   LYS  43          HB2       LYS  43   4.727  -3.170 -26.636
  311   2HB   LYS  43          HB3       LYS  43   4.338  -4.113 -25.213
  312   1HG   LYS  43          HG2       LYS  43   2.142  -2.323 -25.497
  313   2HG   LYS  43          HG3       LYS  43   2.577  -2.701 -27.145
  314   1HD   LYS  43          HD2       LYS  43   0.858  -4.215 -26.443
  315   2HD   LYS  43          HD3       LYS  43   2.362  -5.152 -26.557
  316   1HE   LYS  43          HE2       LYS  43   1.259  -5.835 -24.519
  317   2HE   LYS  43          HE3       LYS  43   2.646  -4.850 -24.076
  318   1HZ   LYS  43          HZ1       LYS  43   0.913  -4.203 -22.766
  319   2HZ   LYS  43          HZ2       LYS  43   1.085  -2.967 -23.754
  320   3HZ   LYS  43          HZ3       LYS  43  -0.178  -3.998 -24.000
  321    H    MET  44           H        MET  44   3.845  -0.107 -23.382
  322    HA   MET  44           HA       MET  44   3.425  -1.604 -20.889
  323   1HB   MET  44          HB2       MET  44   3.358   1.312 -21.851
  324   2HB   MET  44          HB3       MET  44   2.751   0.907 -20.242
  325   1HG   MET  44          HG2       MET  44   4.743   0.134 -19.465
  326   2HG   MET  44          HG3       MET  44   5.456  -0.122 -21.036
  327   1HE   MET  44          HE1       MET  44   6.154   1.190 -18.037
  328   2HE   MET  44          HE2       MET  44   6.384   2.942 -18.029
  329   3HE   MET  44          HE3       MET  44   4.748   2.234 -17.964
  330    H    VAL  45           H        VAL  45   1.369  -0.547 -19.718
  331    HA   VAL  45           HA       VAL  45  -1.104  -0.413 -21.229
  332    HB   VAL  45           HB       VAL  45  -2.088  -1.607 -19.275
  333   1HG1  VAL  45          1HG1      VAL  45  -1.859  -3.830 -20.212
  334   2HG1  VAL  45          2HG1      VAL  45  -1.742  -2.696 -21.556
  335   3HG1  VAL  45          3HG1      VAL  45  -0.259  -3.441 -20.918
  336   1HG2  VAL  45          1HG2      VAL  45  -0.321  -1.558 -17.685
  337   2HG2  VAL  45          2HG2      VAL  45  -0.743  -3.270 -18.015
  338   3HG2  VAL  45          3HG2      VAL  45   0.709  -2.558 -18.698
  339    H    LYS  46           H        LYS  46  -2.637   0.665 -19.279
  340    HA   LYS  46           HA       LYS  46  -1.054   2.341 -17.499
  341   1HB   LYS  46          HB2       LYS  46  -1.209   3.660 -19.588
  342   2HB   LYS  46          HB3       LYS  46  -2.957   3.511 -19.624
  343   1HG   LYS  46          HG2       LYS  46  -1.454   4.891 -17.330
  344   2HG   LYS  46          HG3       LYS  46  -1.843   5.677 -18.843
  345   1HD   LYS  46          HD2       LYS  46  -4.329   5.179 -18.328
  346   2HD   LYS  46          HD3       LYS  46  -3.782   4.899 -16.651
  347   1HE   LYS  46          HE2       LYS  46  -3.036   7.093 -16.385
  348   2HE   LYS  46          HE3       LYS  46  -2.753   7.337 -18.089
  349   1HZ   LYS  46          HZ1       LYS  46  -4.600   8.553 -17.222
  350   2HZ   LYS  46          HZ2       LYS  46  -5.146   7.598 -18.422
  351   3HZ   LYS  46          HZ3       LYS  46  -5.437   7.301 -16.836
  352    H    TRP  47           H        TRP  47  -2.214   2.647 -15.664
  353    HA   TRP  47           HA       TRP  47  -5.074   1.781 -15.647
  354   1HB   TRP  47          HB2       TRP  47  -3.017   1.065 -13.502
  355   2HB   TRP  47          HB3       TRP  47  -4.673   0.527 -13.614
  356    HD1  TRP  47           HD1      TRP  47  -1.274  -0.494 -14.450
  357    HE1  TRP  47           HE1      TRP  47  -1.183  -2.502 -15.977
  358    HE3  TRP  47           HE3      TRP  47  -6.111  -0.402 -16.216
  359    HZ2  TRP  47           HZ2      TRP  47  -2.885  -3.825 -17.891
  360    HZ3  TRP  47           HZ3      TRP  47  -6.745  -1.962 -18.049
  361    HH2  TRP  47           HH2      TRP  47  -5.185  -3.695 -18.845
  362    H    GLY  48           H        GLY  48  -6.289   3.399 -14.657
  363   1HA   GLY  48          HA2       GLY  48  -4.833   5.368 -13.038
  364   2HA   GLY  48          HA3       GLY  48  -5.766   5.883 -14.476
  365    H    LEU  49           H        LEU  49  -5.879   6.240 -11.519
  366    HA   LEU  49           HA       LEU  49  -8.745   5.720 -11.114
  367   1HB   LEU  49          HB2       LEU  49  -6.606   4.627  -9.231
  368   2HB   LEU  49          HB3       LEU  49  -8.285   4.747  -8.780
  369    HG   LEU  49           HG       LEU  49  -7.209   3.103 -11.100
  370   1HD1  LEU  49          1HD1      LEU  49  -6.643   2.316  -8.833
  371   2HD1  LEU  49          2HD1      LEU  49  -8.374   2.224  -8.473
  372   3HD1  LEU  49          3HD1      LEU  49  -7.679   1.204  -9.774
  373   1HD2  LEU  49          1HD2      LEU  49  -9.610   3.792 -11.528
  374   2HD2  LEU  49          2HD2      LEU  49  -9.440   2.081 -11.166
  375   3HD2  LEU  49          3HD2      LEU  49 -10.028   3.206  -9.902
  376    H    GLY  50           H        GLY  50  -6.472   8.103 -11.099
  377   1HA   GLY  50          HA2       GLY  50  -8.144   9.749  -9.349
  378   2HA   GLY  50          HA3       GLY  50  -6.562   9.407  -8.674
  379    H    LEU  51           H        LEU  51  -4.636   9.982 -10.037
  380    HA   LEU  51           HA       LEU  51  -5.024  12.609 -11.361
  381   1HB   LEU  51          HB2       LEU  51  -2.556  11.056 -10.437
  382   2HB   LEU  51          HB3       LEU  51  -2.488  12.503 -11.392
  383    HG   LEU  51           HG       LEU  51  -3.510  13.840  -9.643
  384   1HD1  LEU  51          1HD1      LEU  51  -4.930  12.276  -8.453
  385   2HD1  LEU  51          2HD1      LEU  51  -3.510  11.283  -7.991
  386   3HD1  LEU  51          3HD1      LEU  51  -3.726  12.919  -7.314
  387   1HD2  LEU  51          1HD2      LEU  51  -1.066  13.534  -9.751
  388   2HD2  LEU  51          2HD2      LEU  51  -1.600  13.739  -8.082
  389   3HD2  LEU  51          3HD2      LEU  51  -1.199  12.114  -8.686
  390    H    ASP  52           H        ASP  52  -6.315  11.077 -12.875
  391    HA   ASP  52           HA       ASP  52  -5.199   9.034 -14.346
  392   1HB   ASP  52          HB2       ASP  52  -7.624   9.670 -14.267
  393   2HB   ASP  52          HB3       ASP  52  -7.291  10.900 -15.491
  Start of MODEL   13
    1   1H    GLY   1           H1       GLY   1   4.432  -2.295 -10.123
    2   2H    GLY   1           H2       GLY   1   5.400  -3.538  -9.698
    3   3H    GLY   1           H3       GLY   1   3.900  -3.836 -10.315
    4   1HA   GLY   1          HA2       GLY   1   3.843  -4.199  -7.948
    5   2HA   GLY   1          HA3       GLY   1   4.443  -2.515  -7.761
    6    H    GLN   2           H        GLN   2   1.591  -4.464  -7.875
    7    HA   GLN   2           HA       GLN   2  -0.036  -2.020  -8.037
    8   1HB   GLN   2          HB2       GLN   2  -1.524  -2.985  -9.695
    9   2HB   GLN   2          HB3       GLN   2   0.093  -2.629 -10.274
   10   1HG   GLN   2          HG2       GLN   2   0.654  -5.010 -10.272
   11   2HG   GLN   2          HG3       GLN   2  -1.038  -5.392  -9.859
   12   1HE2  GLN   2          2HE2      GLN   2   0.900  -5.409 -12.588
   13   2HE2  GLN   2          1HE2      GLN   2  -0.268  -4.849 -13.741
   14    H    ASP   3           H        ASP   3  -2.140  -2.201  -7.452
   15    HA   ASP   3           HA       ASP   3  -3.063  -4.367  -5.697
   16   1HB   ASP   3          HB2       ASP   3  -1.853  -2.373  -4.494
   17   2HB   ASP   3          HB3       ASP   3  -3.276  -1.411  -4.978
   18    H    ARG   4           H        ARG   4  -5.449  -3.120  -4.994
   19    HA   ARG   4           HA       ARG   4  -7.084  -3.437  -7.319
   20   1HB   ARG   4          HB2       ARG   4  -7.738  -2.101  -4.676
   21   2HB   ARG   4          HB3       ARG   4  -8.909  -2.860  -5.765
   22   1HG   ARG   4          HG2       ARG   4  -8.623  -4.899  -4.866
   23   2HG   ARG   4          HG3       ARG   4  -6.855  -4.772  -4.786
   24   1HD   ARG   4          HD2       ARG   4  -7.211  -3.162  -2.810
   25   2HD   ARG   4          HD3       ARG   4  -8.875  -3.729  -2.772
   26    HE   ARG   4           HE       ARG   4  -8.092  -5.994  -2.314
   27   1HH1  ARG   4          1HH2      ARG   4  -5.603  -3.478  -1.996
   28   2HH1  ARG   4          2HH2      ARG   4  -4.488  -4.422  -1.351
   29   1HH2  ARG   4          1HH1      ARG   4  -6.567  -7.321  -1.156
   30   2HH2  ARG   4          2HH1      ARG   4  -5.129  -6.579  -0.510
   31    H    PHE   5           H        PHE   5  -5.846  -0.600  -5.610
   32    HA   PHE   5           HA       PHE   5  -6.477   1.138  -7.858
   33   1HB   PHE   5          HB2       PHE   5  -7.680   2.792  -6.427
   34   2HB   PHE   5          HB3       PHE   5  -8.563   1.300  -6.594
   35    HD1  PHE   5           HD1      PHE   5  -6.559   3.355  -4.243
   36    HD2  PHE   5           HD2      PHE   5  -9.074  -0.097  -4.730
   37    HE1  PHE   5           HE1      PHE   5  -6.713   3.130  -1.772
   38    HE2  PHE   5           HE2      PHE   5  -9.253  -0.309  -2.245
   39    HZ   PHE   5           HZ       PHE   5  -8.062   1.300  -0.780
   40    H    VAL   6           H        VAL   6  -4.209   0.003  -6.006
   41    HA   VAL   6           HA       VAL   6  -2.773   2.544  -5.655
   42    HB   VAL   6           HB       VAL   6  -3.483   0.484  -3.596
   43   1HG1  VAL   6          1HG1      VAL   6  -1.459   0.709  -2.249
   44   2HG1  VAL   6          2HG1      VAL   6  -1.090  -0.052  -3.807
   45   3HG1  VAL   6          3HG1      VAL   6  -0.674   1.645  -3.546
   46   1HG2  VAL   6          1HG2      VAL   6  -3.289   2.464  -2.152
   47   2HG2  VAL   6          2HG2      VAL   6  -2.581   3.377  -3.510
   48   3HG2  VAL   6          3HG2      VAL   6  -4.260   2.805  -3.594
   49    H    TYR   7           H        TYR   7  -0.561   2.293  -5.942
   50    HA   TYR   7           HA       TYR   7   0.532  -0.116  -7.252
   51   1HB   TYR   7          HB2       TYR   7   0.173   2.639  -8.529
   52   2HB   TYR   7          HB3       TYR   7   0.904   1.226  -9.273
   53    HD1  TYR   7           HD1      TYR   7  -0.648  -0.711  -9.867
   54    HD2  TYR   7           HD2      TYR   7  -2.195   3.009  -8.445
   55    HE1  TYR   7           HE1      TYR   7  -2.935  -1.295 -10.797
   56    HE2  TYR   7           HE2      TYR   7  -4.465   2.366  -9.126
   57    HH   TYR   7           HH       TYR   7  -5.759   0.828 -10.402
   58    H    THR   8           H        THR   8   2.763   1.000  -8.336
   59    HA   THR   8           HA       THR   8   3.903   2.949  -6.465
   60    HB   THR   8           HB       THR   8   6.085   1.482  -7.096
   61    HG1  THR   8           HG1      THR   8   5.068  -0.147  -8.273
   62   1HG2  THR   8          1HG2      THR   8   4.143   0.710  -4.880
   63   2HG2  THR   8          2HG2      THR   8   5.847   0.167  -5.012
   64   3HG2  THR   8          3HG2      THR   8   5.510   1.879  -4.811
   65    H    CYS   9           H        CYS   9   5.620   4.245  -7.565
   66    HA   CYS   9           HA       CYS   9   5.567   3.951 -10.559
   67   1HB   CYS   9          HB2       CYS   9   5.589   6.339  -9.792
   68   2HB   CYS   9          HB3       CYS   9   6.953   6.017  -8.747
   69    H    ASN  10           H        ASN  10   7.009   2.263 -11.020
   70    HA   ASN  10           HA       ASN  10   8.727   1.318  -8.969
   71   1HB   ASN  10          HB2       ASN  10   7.716  -0.136 -10.787
   72   2HB   ASN  10          HB3       ASN  10   9.003   0.496 -11.864
   73   1HD2  ASN  10          2HD2      ASN  10  10.469  -1.148 -11.986
   74   2HD2  ASN  10          1HD2      ASN  10  11.151  -2.008 -10.598
   75    H    GLU  11           H        GLU  11   9.021   4.110 -10.712
   76    HA   GLU  11           HA       GLU  11  11.933   3.960 -10.632
   77   1HB   GLU  11          HB2       GLU  11  10.125   5.507 -12.352
   78   2HB   GLU  11          HB3       GLU  11  11.370   6.474 -11.605
   79   1HG   GLU  11          HG2       GLU  11  12.000   3.801 -12.942
   80   2HG   GLU  11          HG3       GLU  11  12.105   5.352 -13.789
   81    H    CYS  12           H        CYS  12   9.135   5.462  -9.071
   82    HA   CYS  12           HA       CYS  12  10.930   7.154  -7.439
   83   1HB   CYS  12          HB2       CYS  12   7.950   6.666  -7.168
   84   2HB   CYS  12          HB3       CYS  12   8.870   7.936  -6.364
   85    H    LYS  13           H        LYS  13   9.375   4.060  -7.342
   86    HA   LYS  13           HA       LYS  13   9.248   2.334  -5.880
   87   1HB   LYS  13          HB2       LYS  13  11.815   3.651  -4.909
   88   2HB   LYS  13          HB3       LYS  13  11.062   2.479  -3.860
   89   1HG   LYS  13          HG2       LYS  13  12.849   1.547  -5.146
   90   2HG   LYS  13          HG3       LYS  13  11.312   0.703  -5.361
   91   1HD   LYS  13          HD2       LYS  13  12.745   0.895  -7.418
   92   2HD   LYS  13          HD3       LYS  13  11.082   1.427  -7.593
   93   1HE   LYS  13          HE2       LYS  13  11.578   3.579  -7.897
   94   2HE   LYS  13          HE3       LYS  13  12.979   3.615  -6.848
   95   1HZ   LYS  13          HZ1       LYS  13  12.882   2.525  -9.600
   96   2HZ   LYS  13          HZ2       LYS  13  13.527   3.935  -9.179
   97   3HZ   LYS  13          HZ3       LYS  13  14.252   2.562  -8.665
   98    H    HIS  14           H        HIS  14   7.930   4.982  -5.509
   99    HA   HIS  14           HA       HIS  14   6.916   4.499  -2.758
  100   1HB   HIS  14          HB2       HIS  14   7.983   6.691  -2.888
  101   2HB   HIS  14          HB3       HIS  14   6.976   7.145  -4.258
  102    HD2  HIS  14           HD2      HIS  14   4.728   8.253  -3.758
  103    HE1  HIS  14           HE1      HIS  14   3.845   6.564   0.032
  104    HE2  HIS  14           HE2      HIS  14   2.958   7.991  -1.870
  105    H    HIS  15           H        HIS  15   4.601   5.055  -2.642
  106    HA   HIS  15           HA       HIS  15   3.181   3.504  -4.565
  107   1HB   HIS  15          HB2       HIS  15   2.036   3.123  -2.707
  108   2HB   HIS  15          HB3       HIS  15   2.771   4.469  -1.860
  109    HD2  HIS  15           HD2      HIS  15  -0.259   3.763  -4.196
  110    HE1  HIS  15           HE1      HIS  15  -1.052   7.416  -2.151
  111    HE2  HIS  15           HE2      HIS  15  -1.996   5.684  -3.792
  112    H    VAL  16           H        VAL  16   1.430   4.127  -5.889
  113    HA   VAL  16           HA       VAL  16   0.703   6.902  -6.242
  114    HB   VAL  16           HB       VAL  16   1.225   7.046  -8.617
  115   1HG1  VAL  16          1HG1      VAL  16   3.706   5.833  -7.354
  116   2HG1  VAL  16          2HG1      VAL  16   3.621   6.898  -8.752
  117   3HG1  VAL  16          3HG1      VAL  16   3.156   7.524  -7.166
  118   1HG2  VAL  16          1HG2      VAL  16   2.317   5.224  -9.904
  119   2HG2  VAL  16          2HG2      VAL  16   2.095   4.127  -8.529
  120   3HG2  VAL  16          3HG2      VAL  16   0.691   4.811  -9.386
  121    H    GLU  17           H        GLU  17  -1.209   7.044  -7.831
  122    HA   GLU  17           HA       GLU  17  -3.063   4.727  -7.366
  123   1HB   GLU  17          HB2       GLU  17  -4.799   6.581  -7.678
  124   2HB   GLU  17          HB3       GLU  17  -3.991   6.402  -6.138
  125   1HG   GLU  17          HG2       GLU  17  -4.274   8.796  -6.803
  126   2HG   GLU  17          HG3       GLU  17  -2.590   8.338  -6.532
  127    H    THR  18           H        THR  18  -1.586   6.811  -9.759
  128    HA   THR  18           HA       THR  18  -2.956   5.265 -11.892
  129    HB   THR  18           HB       THR  18  -2.382   8.258 -11.735
  130    HG1  THR  18           HG1      THR  18  -4.116   8.049 -10.649
  131   1HG2  THR  18          1HG2      THR  18  -2.572   6.767 -14.142
  132   2HG2  THR  18          2HG2      THR  18  -4.242   7.300 -13.839
  133   3HG2  THR  18          3HG2      THR  18  -2.932   8.473 -13.973
  134    H    ARG  19           H        ARG  19  -1.514   4.454 -13.430
  135    HA   ARG  19           HA       ARG  19   1.249   5.478 -13.588
  136   1HB   ARG  19          HB2       ARG  19   2.290   3.540 -12.836
  137   2HB   ARG  19          HB3       ARG  19   1.003   3.797 -11.651
  138   1HG   ARG  19          HG2       ARG  19  -0.401   2.113 -13.069
  139   2HG   ARG  19          HG3       ARG  19   1.107   1.744 -13.922
  140   1HD   ARG  19          HD2       ARG  19   1.833   1.647 -11.232
  141   2HD   ARG  19          HD3       ARG  19   0.154   1.053 -11.241
  142    HE   ARG  19           HE       ARG  19   2.562  -0.271 -12.161
  143   1HH1  ARG  19          2HH2      ARG  19  -0.971  -0.457 -12.237
  144   2HH1  ARG  19          1HH2      ARG  19  -0.944  -2.141 -12.621
  145   1HH2  ARG  19          1HH1      ARG  19   2.601  -2.344 -12.432
  146   2HH2  ARG  19          2HH1      ARG  19   1.226  -3.261 -12.898
  147    H    TRP  20           H        TRP  20   2.509   4.290 -15.086
  148    HA   TRP  20           HA       TRP  20   1.182   3.015 -17.450
  149   1HB   TRP  20          HB2       TRP  20   3.919   4.308 -17.054
  150   2HB   TRP  20          HB3       TRP  20   3.279   3.626 -18.552
  151    HD1  TRP  20           HD1      TRP  20   2.958   6.654 -16.299
  152    HE1  TRP  20           HE1      TRP  20   1.402   8.392 -17.302
  153    HE3  TRP  20           HE3      TRP  20   1.538   4.074 -20.430
  154    HZ2  TRP  20           HZ2      TRP  20  -0.566   8.477 -19.400
  155    HZ3  TRP  20           HZ3      TRP  20  -0.248   4.996 -21.936
  156    HH2  TRP  20           HH2      TRP  20  -1.334   7.186 -21.395
  157    H    HIS  21           H        HIS  21   1.903   0.881 -17.808
  158    HA   HIS  21           HA       HIS  21   3.822  -0.265 -15.876
  159   1HB   HIS  21          HB2       HIS  21   1.992  -0.831 -14.743
  160   2HB   HIS  21          HB3       HIS  21   0.927  -0.846 -16.106
  161    HD2  HIS  21           HD2      HIS  21   4.019  -3.184 -16.191
  162    HE1  HIS  21           HE1      HIS  21   0.660  -5.676 -15.547
  163    HE2  HIS  21           HE2      HIS  21   3.165  -5.625 -16.039
  164    H    CYS  22           H        CYS  22   5.321  -1.303 -16.895
  165    HA   CYS  22           HA       CYS  22   5.386  -1.901 -19.721
  166   1HB   CYS  22          HB2       CYS  22   7.082  -1.910 -17.288
  167   2HB   CYS  22          HB3       CYS  22   7.461  -3.206 -18.419
  168    H    THR  23           H        THR  23   4.459  -3.489 -20.638
  169    HA   THR  23           HA       THR  23   4.005  -6.038 -19.166
  170    HB   THR  23           HB       THR  23   2.357  -6.572 -21.031
  171    HG1  THR  23           HG1      THR  23   3.339  -4.276 -21.977
  172   1HG2  THR  23          1HG2      THR  23   1.977  -4.075 -19.412
  173   2HG2  THR  23          2HG2      THR  23   0.673  -5.197 -19.939
  174   3HG2  THR  23          3HG2      THR  23   1.835  -5.712 -18.706
  175    H    VAL  24           H        VAL  24   6.405  -4.946 -20.505
  176    HA   VAL  24           HA       VAL  24   7.390  -7.003 -22.330
  177    HB   VAL  24           HB       VAL  24   7.565  -4.737 -23.041
  178   1HG1  VAL  24          1HG1      VAL  24   7.671  -3.877 -20.283
  179   2HG1  VAL  24          2HG1      VAL  24   8.776  -3.052 -21.355
  180   3HG1  VAL  24          3HG1      VAL  24   7.024  -3.162 -21.742
  181   1HG2  VAL  24          1HG2      VAL  24   9.935  -4.200 -23.093
  182   2HG2  VAL  24          2HG2      VAL  24  10.221  -5.102 -21.597
  183   3HG2  VAL  24          3HG2      VAL  24   9.808  -5.980 -23.089
  184    H    CYS  25           H        CYS  25   8.308  -5.085 -19.542
  185    HA   CYS  25           HA       CYS  25  10.272  -6.851 -18.368
  186   1HB   CYS  25          HB2       CYS  25   8.936  -4.366 -17.212
  187   2HB   CYS  25          HB3       CYS  25  10.569  -4.960 -16.873
  188    H    GLU  26           H        GLU  26  10.117  -6.916 -15.904
  189    HA   GLU  26           HA       GLU  26   7.854  -8.605 -15.316
  190   1HB   GLU  26          HB2       GLU  26  10.454  -8.866 -14.745
  191   2HB   GLU  26          HB3       GLU  26   9.960  -8.064 -13.233
  192   1HG   GLU  26          HG2       GLU  26   8.023  -9.770 -13.207
  193   2HG   GLU  26          HG3       GLU  26   8.829 -10.520 -14.585
  194    H    ASP  27           H        ASP  27   6.120  -7.183 -15.202
  195    HA   ASP  27           HA       ASP  27   4.692  -5.626 -14.428
  196   1HB   ASP  27          HB2       ASP  27   4.501  -7.558 -12.859
  197   2HB   ASP  27          HB3       ASP  27   5.557  -6.708 -11.737
  198    H    TYR  28           H        TYR  28   7.091  -4.422 -15.014
  199    HA   TYR  28           HA       TYR  28   7.911  -2.605 -12.939
  200   1HB   TYR  28          HB2       TYR  28   9.332  -3.479 -14.798
  201   2HB   TYR  28          HB3       TYR  28   8.382  -2.599 -15.941
  202    HD1  TYR  28           HD1      TYR  28  11.176  -2.384 -13.671
  203    HD2  TYR  28           HD2      TYR  28   8.349  -0.103 -15.971
  204    HE1  TYR  28           HE1      TYR  28  12.693  -0.410 -13.573
  205    HE2  TYR  28           HE2      TYR  28   9.813   1.873 -15.878
  206    HH   TYR  28           HH       TYR  28  13.037   1.781 -14.241
  207    H    ASP  29           H        ASP  29   7.348  -0.402 -12.726
  208    HA   ASP  29           HA       ASP  29   4.914   0.515 -14.199
  209   1HB   ASP  29          HB2       ASP  29   5.492   1.412 -11.406
  210   2HB   ASP  29          HB3       ASP  29   3.946   1.285 -12.215
  211    H    LEU  30           H        LEU  30   4.654   2.853 -14.224
  212    HA   LEU  30           HA       LEU  30   6.787   4.478 -13.078
  213   1HB   LEU  30          HB2       LEU  30   5.931   4.518 -15.999
  214   2HB   LEU  30          HB3       LEU  30   6.791   5.842 -15.197
  215    HG   LEU  30           HG       LEU  30   7.864   3.028 -15.653
  216   1HD1  LEU  30          1HD1      LEU  30   9.448   4.119 -17.087
  217   2HD1  LEU  30          2HD1      LEU  30   7.823   4.580 -17.644
  218   3HD1  LEU  30          3HD1      LEU  30   8.814   5.732 -16.706
  219   1HD2  LEU  30          1HD2      LEU  30  10.019   3.889 -14.776
  220   2HD2  LEU  30          2HD2      LEU  30   9.233   5.466 -14.423
  221   3HD2  LEU  30          3HD2      LEU  30   8.802   4.035 -13.499
  222    H    CYS  31           H        CYS  31   5.844   6.390 -12.191
  223    HA   CYS  31           HA       CYS  31   3.005   6.862 -12.455
  224   1HB   CYS  31          HB2       CYS  31   3.499   8.935 -11.349
  225   2HB   CYS  31          HB3       CYS  31   4.256   7.615 -10.495
  226    H    ILE  32           H        ILE  32   2.283   9.031 -13.355
  227    HA   ILE  32           HA       ILE  32   2.792   9.150 -16.075
  228    HB   ILE  32           HB       ILE  32   1.874  11.474 -14.341
  229   1HG1  ILE  32          2HG1      ILE  32   0.418   9.664 -13.664
  230   2HG1  ILE  32          3HG1      ILE  32  -0.475  10.784 -14.680
  231   1HG2  ILE  32          1HG2      ILE  32   0.533  12.043 -16.378
  232   2HG2  ILE  32          2HG2      ILE  32   2.290  12.184 -16.566
  233   3HG2  ILE  32          3HG2      ILE  32   1.453  10.786 -17.257
  234   1HD1  ILE  32          1HD1      ILE  32  -1.108   8.516 -15.215
  235   2HD1  ILE  32          2HD1      ILE  32  -0.181   9.173 -16.589
  236   3HD1  ILE  32          3HD1      ILE  32   0.564   8.032 -15.417
  237    H    ASN  33           H        ASN  33   4.280  11.137 -13.515
  238    HA   ASN  33           HA       ASN  33   5.711  12.868 -15.323
  239   1HB   ASN  33          HB2       ASN  33   5.325  13.609 -13.049
  240   2HB   ASN  33          HB3       ASN  33   5.958  12.122 -12.361
  241   1HD2  ASN  33          2HD2      ASN  33   8.239  11.822 -12.109
  242   2HD2  ASN  33          1HD2      ASN  33   9.340  13.151 -12.365
  243    H    CYS  34           H        CYS  34   6.667   9.848 -13.653
  244    HA   CYS  34           HA       CYS  34   9.367   9.965 -14.664
  245   1HB   CYS  34          HB2       CYS  34   7.731   7.799 -13.344
  246   2HB   CYS  34          HB3       CYS  34   9.312   7.482 -14.066
  247    H    TYR  35           H        TYR  35   6.349   8.367 -15.825
  248    HA   TYR  35           HA       TYR  35   7.583   7.073 -18.065
  249   1HB   TYR  35          HB2       TYR  35   5.331   6.515 -17.412
  250   2HB   TYR  35          HB3       TYR  35   4.780   8.175 -17.714
  251    HD1  TYR  35           HD1      TYR  35   6.354   5.205 -19.427
  252    HD2  TYR  35           HD2      TYR  35   3.838   8.691 -19.815
  253    HE1  TYR  35           HE1      TYR  35   5.927   4.607 -21.778
  254    HE2  TYR  35           HE2      TYR  35   3.444   8.119 -22.191
  255    HH   TYR  35           HH       TYR  35   3.997   6.712 -23.937
  256    H    ASN  36           H        ASN  36   6.151  10.292 -17.730
  257    HA   ASN  36           HA       ASN  36   6.634  11.326 -20.274
  258   1HB   ASN  36          HB2       ASN  36   6.095  12.485 -17.545
  259   2HB   ASN  36          HB3       ASN  36   6.436  13.558 -18.855
  260   1HD2  ASN  36          2HD2      ASN  36   4.180  14.256 -18.213
  261   2HD2  ASN  36          1HD2      ASN  36   2.837  13.455 -19.039
  262    H    THR  37           H        THR  37   9.071  10.597 -17.983
  263    HA   THR  37           HA       THR  37  10.896  12.558 -19.347
  264    HB   THR  37           HB       THR  37  12.123  12.684 -17.158
  265    HG1  THR  37           HG1      THR  37   9.723  11.824 -15.973
  266   1HG2  THR  37          1HG2      THR  37   9.282  13.774 -17.146
  267   2HG2  THR  37          2HG2      THR  37  10.620  14.322 -16.106
  268   3HG2  THR  37          3HG2      THR  37  10.718  14.525 -17.869
  269    H    LYS  38           H        LYS  38  10.864   9.626 -17.364
  270    HA   LYS  38           HA       LYS  38  13.424   8.654 -18.179
  271   1HB   LYS  38          HB2       LYS  38  11.068   7.007 -17.242
  272   2HB   LYS  38          HB3       LYS  38  12.781   6.611 -17.067
  273   1HG   LYS  38          HG2       LYS  38  11.359   8.890 -15.616
  274   2HG   LYS  38          HG3       LYS  38  11.604   7.297 -14.962
  275   1HD   LYS  38          HD2       LYS  38  14.028   7.649 -14.905
  276   2HD   LYS  38          HD3       LYS  38  13.889   9.153 -15.803
  277   1HE   LYS  38          HE2       LYS  38  14.176   9.697 -13.469
  278   2HE   LYS  38          HE3       LYS  38  12.552  10.167 -14.007
  279   1HZ   LYS  38          HZ1       LYS  38  12.611   9.044 -11.827
  280   2HZ   LYS  38          HZ2       LYS  38  11.666   8.268 -12.888
  281   3HZ   LYS  38          HZ3       LYS  38  13.175   7.685 -12.540
  282    H    SER  39           H        SER  39  10.436   8.801 -19.901
  283    HA   SER  39           HA       SER  39   9.722   7.928 -21.837
  284   1HB   SER  39          HB2       SER  39  12.684   8.318 -22.503
  285   2HB   SER  39          HB3       SER  39  11.318   8.381 -23.641
  286    HG   SER  39           HG       SER  39  11.930  10.164 -21.502
  287    H    HIS  40           H        HIS  40  10.058   5.801 -20.139
  288    HA   HIS  40           HA       HIS  40  11.497   3.607 -21.333
  289   1HB   HIS  40          HB2       HIS  40  10.738   4.193 -18.861
  290   2HB   HIS  40          HB3       HIS  40   9.230   3.404 -19.309
  291    HD1  HIS  40           HD1      HIS  40  12.364   2.660 -17.634
  292    HD2  HIS  40           HD2      HIS  40   9.672   0.690 -20.211
  293    HE1  HIS  40           HE1      HIS  40  12.685   0.191 -17.228
  294    H    THR  41           H        THR  41  10.458   4.223 -23.453
  295    HA   THR  41           HA       THR  41   7.739   4.056 -24.021
  296    HB   THR  41           HB       THR  41  10.145   3.866 -25.888
  297    HG1  THR  41           HG1      THR  41  10.308   5.655 -24.403
  298   1HG2  THR  41          1HG2      THR  41   8.272   3.676 -27.306
  299   2HG2  THR  41          2HG2      THR  41   7.338   4.890 -26.379
  300   3HG2  THR  41          3HG2      THR  41   8.718   5.382 -27.367
  301    H    HIS  42           H        HIS  42   8.654   1.292 -22.793
  302    HA   HIS  42           HA       HIS  42   8.544  -0.476 -25.102
  303   1HB   HIS  42          HB2       HIS  42   8.118  -0.983 -22.170
  304   2HB   HIS  42          HB3       HIS  42   8.438  -2.199 -23.440
  305    HD2  HIS  42           HD2      HIS  42  10.928  -0.418 -24.775
  306    HE1  HIS  42           HE1      HIS  42  12.719  -1.061 -20.965
  307    HE2  HIS  42           HE2      HIS  42  13.171  -0.424 -23.423
  308    H    LYS  43           H        LYS  43   6.753  -2.327 -24.987
  309    HA   LYS  43           HA       LYS  43   4.249  -0.950 -25.262
  310   1HB   LYS  43          HB2       LYS  43   5.174  -3.046 -26.505
  311   2HB   LYS  43          HB3       LYS  43   4.497  -3.963 -25.176
  312   1HG   LYS  43          HG2       LYS  43   3.092  -1.946 -26.966
  313   2HG   LYS  43          HG3       LYS  43   2.946  -3.716 -27.146
  314   1HD   LYS  43          HD2       LYS  43   1.813  -1.888 -25.003
  315   2HD   LYS  43          HD3       LYS  43   0.909  -2.782 -26.213
  316   1HE   LYS  43          HE2       LYS  43   1.493  -4.933 -25.160
  317   2HE   LYS  43          HE3       LYS  43   2.582  -4.114 -24.041
  318   1HZ   LYS  43          HZ1       LYS  43  -0.338  -4.081 -24.010
  319   2HZ   LYS  43          HZ2       LYS  43   0.782  -4.321 -22.800
  320   3HZ   LYS  43          HZ3       LYS  43   0.530  -2.832 -23.372
  321    H    MET  44           H        MET  44   3.346  -0.207 -23.631
  322    HA   MET  44           HA       MET  44   3.272  -1.573 -20.988
  323   1HB   MET  44          HB2       MET  44   3.201   1.315 -21.911
  324   2HB   MET  44          HB3       MET  44   2.672   0.879 -20.287
  325   1HG   MET  44          HG2       MET  44   4.696   0.043 -19.623
  326   2HG   MET  44          HG3       MET  44   5.389  -0.024 -21.221
  327   1HE   MET  44          HE1       MET  44   4.672   1.905 -17.935
  328   2HE   MET  44          HE2       MET  44   6.241   1.111 -18.169
  329   3HE   MET  44          HE3       MET  44   6.141   2.876 -17.980
  330    H    VAL  45           H        VAL  45   1.281  -0.649 -19.725
  331    HA   VAL  45           HA       VAL  45  -1.274  -0.464 -21.133
  332    HB   VAL  45           HB       VAL  45  -2.138  -1.713 -19.150
  333   1HG1  VAL  45          1HG1      VAL  45  -0.346  -3.473 -20.899
  334   2HG1  VAL  45          2HG1      VAL  45  -1.855  -3.929 -20.084
  335   3HG1  VAL  45          3HG1      VAL  45  -1.896  -2.777 -21.427
  336   1HG2  VAL  45          1HG2      VAL  45  -0.139  -1.551 -17.741
  337   2HG2  VAL  45          2HG2      VAL  45  -0.625  -3.276 -17.954
  338   3HG2  VAL  45          3HG2      VAL  45   0.750  -2.628 -18.823
  339    H    LYS  46           H        LYS  46  -2.738   0.660 -19.281
  340    HA   LYS  46           HA       LYS  46  -1.155   2.372 -17.505
  341   1HB   LYS  46          HB2       LYS  46  -1.458   3.607 -19.655
  342   2HB   LYS  46          HB3       LYS  46  -3.203   3.441 -19.526
  343   1HG   LYS  46          HG2       LYS  46  -1.507   4.975 -17.475
  344   2HG   LYS  46          HG3       LYS  46  -2.215   5.674 -18.930
  345   1HD   LYS  46          HD2       LYS  46  -4.514   4.949 -17.964
  346   2HD   LYS  46          HD3       LYS  46  -3.638   4.678 -16.468
  347   1HE   LYS  46          HE2       LYS  46  -4.224   6.844 -16.112
  348   2HE   LYS  46          HE3       LYS  46  -2.638   7.081 -16.887
  349   1HZ   LYS  46          HZ1       LYS  46  -4.268   8.527 -17.792
  350   2HZ   LYS  46          HZ2       LYS  46  -3.990   7.449 -18.992
  351   3HZ   LYS  46          HZ3       LYS  46  -5.349   7.431 -17.996
  352    H    TRP  47           H        TRP  47  -2.256   2.656 -15.636
  353    HA   TRP  47           HA       TRP  47  -5.060   1.716 -15.431
  354   1HB   TRP  47          HB2       TRP  47  -2.892   1.111 -13.386
  355   2HB   TRP  47          HB3       TRP  47  -4.530   0.491 -13.458
  356    HD1  TRP  47           HD1      TRP  47  -1.049  -0.145 -14.577
  357    HE1  TRP  47           HE1      TRP  47  -0.855  -2.309 -15.892
  358    HE3  TRP  47           HE3      TRP  47  -5.976  -0.785 -15.741
  359    HZ2  TRP  47           HZ2      TRP  47  -2.591  -3.938 -17.582
  360    HZ3  TRP  47           HZ3      TRP  47  -6.603  -2.493 -17.455
  361    HH2  TRP  47           HH2      TRP  47  -4.971  -4.117 -18.275
  362    H    GLY  48           H        GLY  48  -6.207   3.287 -14.385
  363   1HA   GLY  48          HA2       GLY  48  -4.720   5.376 -12.935
  364   2HA   GLY  48          HA3       GLY  48  -5.767   5.798 -14.333
  365    H    LEU  49           H        LEU  49  -5.876   6.424 -11.522
  366    HA   LEU  49           HA       LEU  49  -8.663   5.706 -11.068
  367   1HB   LEU  49          HB2       LEU  49  -6.603   4.161  -9.904
  368   2HB   LEU  49          HB3       LEU  49  -7.091   5.228  -8.620
  369    HG   LEU  49           HG       LEU  49  -8.153   3.053  -8.623
  370   1HD1  LEU  49          1HD1      LEU  49  -9.408   4.995  -7.646
  371   2HD1  LEU  49          2HD1      LEU  49 -10.315   5.129  -9.158
  372   3HD1  LEU  49          3HD1      LEU  49 -10.469   3.668  -8.164
  373   1HD2  LEU  49          1HD2      LEU  49  -8.283   2.582 -11.013
  374   2HD2  LEU  49          2HD2      LEU  49  -9.804   2.269 -10.156
  375   3HD2  LEU  49          3HD2      LEU  49  -9.617   3.721 -11.175
  376    H    GLY  50           H        GLY  50  -6.324   8.150 -10.962
  377   1HA   GLY  50          HA2       GLY  50  -8.133   9.819  -9.331
  378   2HA   GLY  50          HA3       GLY  50  -6.510   9.549  -8.682
  379    H    LEU  51           H        LEU  51  -4.939   9.713 -10.995
  380    HA   LEU  51           HA       LEU  51  -5.402  12.474 -12.039
  381   1HB   LEU  51          HB2       LEU  51  -2.863  11.157 -10.999
  382   2HB   LEU  51          HB3       LEU  51  -2.915  12.718 -11.834
  383    HG   LEU  51           HG       LEU  51  -4.390  12.188  -9.226
  384   1HD1  LEU  51          1HD1      LEU  51  -1.647  13.428  -9.648
  385   2HD1  LEU  51          2HD1      LEU  51  -2.588  13.402  -8.121
  386   3HD1  LEU  51          3HD1      LEU  51  -2.019  11.886  -8.843
  387   1HD2  LEU  51          1HD2      LEU  51  -5.285  14.090 -10.484
  388   2HD2  LEU  51          2HD2      LEU  51  -4.407  14.665  -9.071
  389   3HD2  LEU  51          3HD2      LEU  51  -3.683  14.790 -10.708
  390    H    ASP  52           H        ASP  52  -6.476  10.559 -13.410
  391    HA   ASP  52           HA       ASP  52  -4.958   8.866 -15.023
  392   1HB   ASP  52          HB2       ASP  52  -7.447   8.780 -14.647
  393   2HB   ASP  52          HB3       ASP  52  -7.615  10.046 -15.877
  Start of MODEL   14
    1   1H    GLY   1           H1       GLY   1   4.159  -2.210 -10.035
    2   2H    GLY   1           H2       GLY   1   5.168  -3.439  -9.568
    3   3H    GLY   1           H3       GLY   1   3.819  -3.763 -10.417
    4   1HA   GLY   1          HA2       GLY   1   3.452  -4.335  -8.132
    5   2HA   GLY   1          HA3       GLY   1   3.913  -2.667  -7.680
    6    H    GLN   2           H        GLN   2   1.163  -4.435  -7.653
    7    HA   GLN   2           HA       GLN   2  -0.442  -2.113  -8.343
    8   1HB   GLN   2          HB2       GLN   2  -1.918  -3.539  -9.865
    9   2HB   GLN   2          HB3       GLN   2  -0.412  -2.900 -10.461
   10   1HG   GLN   2          HG2       GLN   2   0.717  -5.072 -10.261
   11   2HG   GLN   2          HG3       GLN   2  -0.783  -5.786  -9.616
   12   1HE2  GLN   2          2HE2      GLN   2   1.055  -5.571 -12.440
   13   2HE2  GLN   2          1HE2      GLN   2  -0.233  -5.740 -13.604
   14    H    ASP   3           H        ASP   3  -2.484  -2.111  -7.709
   15    HA   ASP   3           HA       ASP   3  -3.766  -4.116  -5.983
   16   1HB   ASP   3          HB2       ASP   3  -2.624  -2.617  -4.394
   17   2HB   ASP   3          HB3       ASP   3  -3.176  -1.184  -5.290
   18    H    ARG   4           H        ARG   4  -6.220  -3.398  -5.956
   19    HA   ARG   4           HA       ARG   4  -6.955  -2.817  -8.644
   20   1HB   ARG   4          HB2       ARG   4  -9.351  -2.570  -7.577
   21   2HB   ARG   4          HB3       ARG   4  -8.532  -4.101  -7.758
   22   1HG   ARG   4          HG2       ARG   4  -9.672  -3.997  -5.619
   23   2HG   ARG   4          HG3       ARG   4  -7.950  -4.188  -5.414
   24   1HD   ARG   4          HD2       ARG   4  -8.261  -1.411  -5.336
   25   2HD   ARG   4          HD3       ARG   4  -9.699  -1.959  -4.490
   26    HE   ARG   4           HE       ARG   4  -6.873  -2.167  -3.771
   27   1HH1  ARG   4          1HH1      ARG   4 -10.093  -3.168  -2.801
   28   2HH1  ARG   4          2HH1      ARG   4  -9.582  -3.952  -1.342
   29   1HH2  ARG   4          1HH2      ARG   4  -6.159  -3.235  -2.077
   30   2HH2  ARG   4          2HH2      ARG   4  -7.149  -3.915  -0.821
   31    H    PHE   5           H        PHE   5  -6.244  -0.520  -6.157
   32    HA   PHE   5           HA       PHE   5  -6.786   1.562  -8.130
   33   1HB   PHE   5          HB2       PHE   5  -7.932   3.014  -6.436
   34   2HB   PHE   5          HB3       PHE   5  -8.856   1.737  -7.168
   35    HD1  PHE   5           HD1      PHE   5  -6.518   1.312  -4.223
   36    HD2  PHE   5           HD2      PHE   5 -10.586   1.484  -5.611
   37    HE1  PHE   5           HE1      PHE   5  -7.290   0.574  -2.008
   38    HE2  PHE   5           HE2      PHE   5 -11.368   0.686  -3.405
   39    HZ   PHE   5           HZ       PHE   5  -9.737   0.228  -1.578
   40    H    VAL   6           H        VAL   6  -4.552   0.207  -6.277
   41    HA   VAL   6           HA       VAL   6  -3.043   2.709  -6.028
   42    HB   VAL   6           HB       VAL   6  -3.717   0.709  -3.917
   43   1HG1  VAL   6          1HG1      VAL   6  -1.683   0.992  -2.637
   44   2HG1  VAL   6          2HG1      VAL   6  -1.378   0.132  -4.150
   45   3HG1  VAL   6          3HG1      VAL   6  -0.881   1.833  -3.991
   46   1HG2  VAL   6          1HG2      VAL   6  -4.493   3.024  -3.930
   47   2HG2  VAL   6          2HG2      VAL   6  -3.420   2.745  -2.538
   48   3HG2  VAL   6          3HG2      VAL   6  -2.813   3.617  -3.971
   49    H    TYR   7           H        TYR   7  -0.810   2.396  -6.319
   50    HA   TYR   7           HA       TYR   7   0.158  -0.041  -7.636
   51   1HB   TYR   7          HB2       TYR   7  -0.122   2.744  -8.911
   52   2HB   TYR   7          HB3       TYR   7   0.696   1.398  -9.655
   53    HD1  TYR   7           HD1      TYR   7  -0.772  -0.741 -10.100
   54    HD2  TYR   7           HD2      TYR   7  -2.423   3.020  -8.953
   55    HE1  TYR   7           HE1      TYR   7  -2.995  -1.490 -10.949
   56    HE2  TYR   7           HE2      TYR   7  -4.674   2.231  -9.510
   57    HH   TYR   7           HH       TYR   7  -5.945   0.442 -10.486
   58    H    THR   8           H        THR   8   2.448   1.001  -8.647
   59    HA   THR   8           HA       THR   8   3.665   2.848  -6.699
   60    HB   THR   8           HB       THR   8   5.762   1.207  -7.313
   61    HG1  THR   8           HG1      THR   8   4.732  -0.345  -8.456
   62   1HG2  THR   8          1HG2      THR   8   5.349  -0.033  -5.176
   63   2HG2  THR   8          2HG2      THR   8   5.251   1.724  -5.045
   64   3HG2  THR   8          3HG2      THR   8   3.750   0.764  -5.115
   65    H    CYS   9           H        CYS   9   5.640   3.783  -7.631
   66    HA   CYS   9           HA       CYS   9   5.706   3.801 -10.614
   67   1HB   CYS   9          HB2       CYS   9   5.504   6.165  -9.784
   68   2HB   CYS   9          HB3       CYS   9   6.816   5.872  -8.611
   69    H    ASN  10           H        ASN  10   7.181   2.066 -10.837
   70    HA   ASN  10           HA       ASN  10   8.928   1.446  -8.621
   71   1HB   ASN  10          HB2       ASN  10   9.095  -0.540  -9.443
   72   2HB   ASN  10          HB3       ASN  10   7.871  -0.117 -10.635
   73   1HD2  ASN  10          2HD2      ASN  10   9.066   1.252 -12.546
   74   2HD2  ASN  10          1HD2      ASN  10  10.421   0.352 -13.214
   75    H    GLU  11           H        GLU  11   9.102   4.031 -10.670
   76    HA   GLU  11           HA       GLU  11  12.039   3.940 -10.630
   77   1HB   GLU  11          HB2       GLU  11  10.118   5.404 -12.309
   78   2HB   GLU  11          HB3       GLU  11  11.358   6.422 -11.587
   79   1HG   GLU  11          HG2       GLU  11  12.033   3.779 -12.991
   80   2HG   GLU  11          HG3       GLU  11  12.040   5.335 -13.818
   81    H    CYS  12           H        CYS  12   9.284   5.251  -8.922
   82    HA   CYS  12           HA       CYS  12  11.117   6.973  -7.317
   83   1HB   CYS  12          HB2       CYS  12   8.077   6.709  -7.147
   84   2HB   CYS  12          HB3       CYS  12   9.120   7.851  -6.284
   85    H    LYS  13           H        LYS  13   9.408   4.007  -7.358
   86    HA   LYS  13           HA       LYS  13   8.921   2.320  -5.986
   87   1HB   LYS  13          HB2       LYS  13  11.651   3.093  -4.896
   88   2HB   LYS  13          HB3       LYS  13  10.725   1.744  -4.213
   89   1HG   LYS  13          HG2       LYS  13  11.495   0.395  -5.784
   90   2HG   LYS  13          HG3       LYS  13  10.527   1.247  -6.949
   91   1HD   LYS  13          HD2       LYS  13  13.475   1.526  -6.383
   92   2HD   LYS  13          HD3       LYS  13  12.580   1.070  -7.867
   93   1HE   LYS  13          HE2       LYS  13  11.681   3.454  -7.829
   94   2HE   LYS  13          HE3       LYS  13  13.002   3.857  -6.738
   95   1HZ   LYS  13          HZ1       LYS  13  14.533   3.040  -8.566
   96   2HZ   LYS  13          HZ2       LYS  13  13.193   2.727  -9.476
   97   3HZ   LYS  13          HZ3       LYS  13  13.533   4.241  -9.075
   98    H    HIS  14           H        HIS  14   7.722   4.697  -5.630
   99    HA   HIS  14           HA       HIS  14   6.735   4.321  -2.882
  100   1HB   HIS  14          HB2       HIS  14   7.835   6.519  -2.971
  101   2HB   HIS  14          HB3       HIS  14   6.900   6.953  -4.416
  102    HD2  HIS  14           HD2      HIS  14   4.720   8.262  -3.889
  103    HE1  HIS  14           HE1      HIS  14   3.568   6.427  -0.247
  104    HE2  HIS  14           HE2      HIS  14   2.845   8.009  -2.085
  105    H    HIS  15           H        HIS  15   4.430   4.935  -2.822
  106    HA   HIS  15           HA       HIS  15   2.964   3.433  -4.772
  107   1HB   HIS  15          HB2       HIS  15   1.736   3.127  -2.964
  108   2HB   HIS  15          HB3       HIS  15   2.631   4.338  -2.052
  109    HD2  HIS  15           HD2      HIS  15  -0.494   3.981  -4.271
  110    HE1  HIS  15           HE1      HIS  15  -0.888   7.670  -2.181
  111    HE2  HIS  15           HE2      HIS  15  -2.039   6.044  -3.795
  112    H    VAL  16           H        VAL  16   1.215   4.157  -6.046
  113    HA   VAL  16           HA       VAL  16   0.689   6.974  -6.421
  114    HB   VAL  16           HB       VAL  16   1.186   7.039  -8.794
  115   1HG1  VAL  16          1HG1      VAL  16   3.575   5.684  -7.531
  116   2HG1  VAL  16          2HG1      VAL  16   3.517   6.608  -9.029
  117   3HG1  VAL  16          3HG1      VAL  16   3.171   7.438  -7.492
  118   1HG2  VAL  16          1HG2      VAL  16   2.106   5.111 -10.044
  119   2HG2  VAL  16          2HG2      VAL  16   1.828   4.052  -8.653
  120   3HG2  VAL  16          3HG2      VAL  16   0.458   4.804  -9.502
  121    H    GLU  17           H        GLU  17  -1.366   7.214  -7.774
  122    HA   GLU  17           HA       GLU  17  -3.179   4.910  -7.245
  123   1HB   GLU  17          HB2       GLU  17  -4.916   6.755  -7.720
  124   2HB   GLU  17          HB3       GLU  17  -4.126   6.638  -6.148
  125   1HG   GLU  17          HG2       GLU  17  -4.343   8.976  -6.895
  126   2HG   GLU  17          HG3       GLU  17  -2.663   8.501  -6.639
  127    H    THR  18           H        THR  18  -1.615   6.741  -9.738
  128    HA   THR  18           HA       THR  18  -2.988   5.145 -11.822
  129    HB   THR  18           HB       THR  18  -2.420   8.145 -11.812
  130    HG1  THR  18           HG1      THR  18  -4.178   8.011 -10.762
  131   1HG2  THR  18          1HG2      THR  18  -2.824   6.314 -14.068
  132   2HG2  THR  18          2HG2      THR  18  -4.255   7.355 -13.930
  133   3HG2  THR  18          3HG2      THR  18  -2.676   8.078 -14.120
  134    H    ARG  19           H        ARG  19  -1.474   4.226 -13.215
  135    HA   ARG  19           HA       ARG  19   1.275   5.347 -13.300
  136   1HB   ARG  19          HB2       ARG  19   2.373   3.267 -12.871
  137   2HB   ARG  19          HB3       ARG  19   1.273   3.508 -11.514
  138   1HG   ARG  19          HG2       ARG  19  -0.329   1.972 -12.473
  139   2HG   ARG  19          HG3       ARG  19   0.634   1.734 -13.924
  140   1HD   ARG  19          HD2       ARG  19   2.254   0.410 -12.895
  141   2HD   ARG  19          HD3       ARG  19   1.710   0.829 -11.270
  142    HE   ARG  19           HE       ARG  19  -0.551  -0.127 -12.173
  143   1HH1  ARG  19          2HH2      ARG  19   2.593  -1.800 -12.266
  144   2HH1  ARG  19          1HH2      ARG  19   1.957  -3.287 -12.774
  145   1HH2  ARG  19          1HH1      ARG  19  -1.386  -2.070 -13.060
  146   2HH2  ARG  19          2HH1      ARG  19  -0.389  -3.460 -13.127
  147    H    TRP  20           H        TRP  20   2.593   4.117 -14.848
  148    HA   TRP  20           HA       TRP  20   1.205   3.102 -17.288
  149   1HB   TRP  20          HB2       TRP  20   3.885   4.499 -16.860
  150   2HB   TRP  20          HB3       TRP  20   3.273   3.880 -18.395
  151    HD1  TRP  20           HD1      TRP  20   2.751   6.724 -15.887
  152    HE1  TRP  20           HE1      TRP  20   1.129   8.472 -16.819
  153    HE3  TRP  20           HE3      TRP  20   1.542   4.443 -20.264
  154    HZ2  TRP  20           HZ2      TRP  20  -0.461   8.878 -19.183
  155    HZ3  TRP  20           HZ3      TRP  20  -0.033   5.525 -21.870
  156    HH2  TRP  20           HH2      TRP  20  -1.074   7.722 -21.316
  157    H    HIS  21           H        HIS  21   1.870   0.953 -17.675
  158    HA   HIS  21           HA       HIS  21   3.869  -0.233 -15.806
  159   1HB   HIS  21          HB2       HIS  21   1.927  -0.758 -14.690
  160   2HB   HIS  21          HB3       HIS  21   0.953  -0.796 -16.131
  161    HD2  HIS  21           HD2      HIS  21   4.054  -3.105 -16.034
  162    HE1  HIS  21           HE1      HIS  21   0.637  -5.576 -15.759
  163    HE2  HIS  21           HE2      HIS  21   3.167  -5.543 -16.036
  164    H    CYS  22           H        CYS  22   5.342  -1.321 -16.874
  165    HA   CYS  22           HA       CYS  22   5.307  -1.862 -19.696
  166   1HB   CYS  22          HB2       CYS  22   7.111  -1.802 -17.378
  167   2HB   CYS  22          HB3       CYS  22   7.439  -3.172 -18.432
  168    H    THR  23           H        THR  23   4.507  -3.575 -20.666
  169    HA   THR  23           HA       THR  23   4.091  -6.075 -19.109
  170    HB   THR  23           HB       THR  23   2.326  -6.678 -20.778
  171    HG1  THR  23           HG1      THR  23   3.263  -4.427 -21.926
  172   1HG2  THR  23          1HG2      THR  23   2.021  -4.010 -19.400
  173   2HG2  THR  23          2HG2      THR  23   0.708  -5.167 -19.787
  174   3HG2  THR  23          3HG2      THR  23   1.937  -5.557 -18.542
  175    H    VAL  24           H        VAL  24   6.413  -5.026 -20.416
  176    HA   VAL  24           HA       VAL  24   7.498  -7.130 -22.171
  177    HB   VAL  24           HB       VAL  24   7.471  -4.904 -23.002
  178   1HG1  VAL  24          1HG1      VAL  24   7.511  -3.877 -20.328
  179   2HG1  VAL  24          2HG1      VAL  24   8.759  -3.144 -21.273
  180   3HG1  VAL  24          3HG1      VAL  24   7.058  -3.154 -21.851
  181   1HG2  VAL  24          1HG2      VAL  24   9.715  -6.065 -23.131
  182   2HG2  VAL  24          2HG2      VAL  24   9.827  -4.294 -23.210
  183   3HG2  VAL  24          3HG2      VAL  24  10.221  -5.121 -21.701
  184    H    CYS  25           H        CYS  25   8.380  -4.935 -19.527
  185    HA   CYS  25           HA       CYS  25  10.406  -6.597 -18.335
  186   1HB   CYS  25          HB2       CYS  25   8.924  -4.211 -17.139
  187   2HB   CYS  25          HB3       CYS  25  10.559  -4.726 -16.738
  188    H    GLU  26           H        GLU  26  10.108  -7.017 -15.773
  189    HA   GLU  26           HA       GLU  26   7.582  -8.466 -15.360
  190   1HB   GLU  26          HB2       GLU  26  10.259  -8.389 -13.993
  191   2HB   GLU  26          HB3       GLU  26   8.851  -8.779 -13.023
  192   1HG   GLU  26          HG2       GLU  26   8.208 -10.576 -14.550
  193   2HG   GLU  26          HG3       GLU  26   9.576 -10.237 -15.607
  194    H    ASP  27           H        ASP  27   5.990  -7.056 -15.104
  195    HA   ASP  27           HA       ASP  27   4.718  -5.347 -14.361
  196   1HB   ASP  27          HB2       ASP  27   4.425  -7.318 -12.812
  197   2HB   ASP  27          HB3       ASP  27   5.482  -6.503 -11.673
  198    H    TYR  28           H        TYR  28   7.128  -4.277 -14.933
  199    HA   TYR  28           HA       TYR  28   8.118  -2.414 -12.932
  200   1HB   TYR  28          HB2       TYR  28   9.438  -3.374 -14.863
  201   2HB   TYR  28          HB3       TYR  28   8.375  -2.550 -15.967
  202    HD1  TYR  28           HD1      TYR  28  11.402  -2.266 -14.019
  203    HD2  TYR  28           HD2      TYR  28   8.334  -0.017 -16.024
  204    HE1  TYR  28           HE1      TYR  28  12.903  -0.312 -14.103
  205    HE2  TYR  28           HE2      TYR  28   9.800   1.947 -16.127
  206    HH   TYR  28           HH       TYR  28  13.167   1.908 -14.783
  207    H    ASP  29           H        ASP  29   7.493  -0.291 -12.640
  208    HA   ASP  29           HA       ASP  29   5.077   0.661 -14.133
  209   1HB   ASP  29          HB2       ASP  29   5.486   1.552 -11.297
  210   2HB   ASP  29          HB3       ASP  29   4.013   1.300 -12.174
  211    H    LEU  30           H        LEU  30   4.805   2.940 -14.180
  212    HA   LEU  30           HA       LEU  30   6.884   4.596 -12.932
  213   1HB   LEU  30          HB2       LEU  30   5.965   4.701 -15.854
  214   2HB   LEU  30          HB3       LEU  30   6.872   5.944 -15.034
  215    HG   LEU  30           HG       LEU  30   7.828   3.116 -15.638
  216   1HD1  LEU  30          1HD1      LEU  30   7.757   4.643 -17.571
  217   2HD1  LEU  30          2HD1      LEU  30   8.741   5.827 -16.678
  218   3HD1  LEU  30          3HD1      LEU  30   9.443   4.256 -17.090
  219   1HD2  LEU  30          1HD2      LEU  30   9.455   5.399 -14.444
  220   2HD2  LEU  30          2HD2      LEU  30   8.799   4.093 -13.460
  221   3HD2  LEU  30          3HD2      LEU  30   9.999   3.725 -14.705
  222    H    CYS  31           H        CYS  31   5.969   6.416 -12.021
  223    HA   CYS  31           HA       CYS  31   3.161   6.989 -12.228
  224   1HB   CYS  31          HB2       CYS  31   3.743   9.115 -11.225
  225   2HB   CYS  31          HB3       CYS  31   4.441   7.813 -10.268
  226    H    ILE  32           H        ILE  32   2.493   9.162 -13.037
  227    HA   ILE  32           HA       ILE  32   2.805   9.292 -15.783
  228    HB   ILE  32           HB       ILE  32   2.048  11.646 -14.027
  229   1HG1  ILE  32          2HG1      ILE  32   0.713   9.983 -13.058
  230   2HG1  ILE  32          3HG1      ILE  32  -0.326  10.827 -14.178
  231   1HG2  ILE  32          1HG2      ILE  32   1.311  10.779 -16.847
  232   2HG2  ILE  32          2HG2      ILE  32   0.570  12.148 -16.007
  233   3HG2  ILE  32          3HG2      ILE  32   2.318  12.171 -16.354
  234   1HD1  ILE  32          1HD1      ILE  32   0.938   8.105 -14.744
  235   2HD1  ILE  32          2HD1      ILE  32  -0.613   8.350 -14.026
  236   3HD1  ILE  32          3HD1      ILE  32  -0.367   8.961 -15.685
  237    H    ASN  33           H        ASN  33   4.474  11.245 -13.315
  238    HA   ASN  33           HA       ASN  33   5.828  12.907 -15.208
  239   1HB   ASN  33          HB2       ASN  33   5.663  13.739 -12.962
  240   2HB   ASN  33          HB3       ASN  33   6.299  12.249 -12.268
  241   1HD2  ASN  33          2HD2      ASN  33   8.557  11.926 -12.085
  242   2HD2  ASN  33          1HD2      ASN  33   9.695  13.180 -12.521
  243    H    CYS  34           H        CYS  34   6.848   9.906 -13.523
  244    HA   CYS  34           HA       CYS  34   9.483   9.954 -14.648
  245   1HB   CYS  34          HB2       CYS  34   7.758   7.812 -13.359
  246   2HB   CYS  34          HB3       CYS  34   9.301   7.410 -14.141
  247    H    TYR  35           H        TYR  35   6.377   8.477 -15.734
  248    HA   TYR  35           HA       TYR  35   7.448   7.185 -18.026
  249   1HB   TYR  35          HB2       TYR  35   5.178   6.802 -17.246
  250   2HB   TYR  35          HB3       TYR  35   4.706   8.463 -17.600
  251    HD1  TYR  35           HD1      TYR  35   6.144   5.395 -19.263
  252    HD2  TYR  35           HD2      TYR  35   3.753   8.973 -19.701
  253    HE1  TYR  35           HE1      TYR  35   5.581   4.729 -21.582
  254    HE2  TYR  35           HE2      TYR  35   3.224   8.307 -22.020
  255    HH   TYR  35           HH       TYR  35   4.517   5.328 -23.486
  256    H    ASN  36           H        ASN  36   6.136  10.459 -17.631
  257    HA   ASN  36           HA       ASN  36   6.630  11.493 -20.178
  258   1HB   ASN  36          HB2       ASN  36   6.150  12.606 -17.407
  259   2HB   ASN  36          HB3       ASN  36   6.539  13.731 -18.664
  260   1HD2  ASN  36          2HD2      ASN  36   4.155  14.328 -17.724
  261   2HD2  ASN  36          1HD2      ASN  36   2.905  13.656 -18.783
  262    H    THR  37           H        THR  37   9.081  10.681 -17.939
  263    HA   THR  37           HA       THR  37  10.923  12.604 -19.318
  264    HB   THR  37           HB       THR  37  12.166  12.701 -17.141
  265    HG1  THR  37           HG1      THR  37   9.757  11.867 -15.928
  266   1HG2  THR  37          1HG2      THR  37   9.334  13.788 -16.984
  267   2HG2  THR  37          2HG2      THR  37  10.738  14.397 -16.114
  268   3HG2  THR  37          3HG2      THR  37  10.642  14.548 -17.888
  269    H    LYS  38           H        LYS  38  10.746   9.583 -17.479
  270    HA   LYS  38           HA       LYS  38  13.274   8.539 -18.351
  271   1HB   LYS  38          HB2       LYS  38  10.877   6.968 -17.348
  272   2HB   LYS  38          HB3       LYS  38  12.560   6.493 -17.263
  273   1HG   LYS  38          HG2       LYS  38  11.358   8.860 -15.724
  274   2HG   LYS  38          HG3       LYS  38  11.542   7.242 -15.081
  275   1HD   LYS  38          HD2       LYS  38  13.944   7.414 -15.121
  276   2HD   LYS  38          HD3       LYS  38  13.887   8.890 -16.090
  277   1HE   LYS  38          HE2       LYS  38  14.319   9.526 -13.804
  278   2HE   LYS  38          HE3       LYS  38  12.715  10.096 -14.295
  279   1HZ   LYS  38          HZ1       LYS  38  12.795   9.044 -12.034
  280   2HZ   LYS  38          HZ2       LYS  38  11.708   8.391 -13.037
  281   3HZ   LYS  38          HZ3       LYS  38  13.152   7.637 -12.734
  282    H    SER  39           H        SER  39  10.351   8.981 -20.052
  283    HA   SER  39           HA       SER  39   9.531   8.194 -22.012
  284   1HB   SER  39          HB2       SER  39  12.483   8.371 -22.712
  285   2HB   SER  39          HB3       SER  39  11.105   8.669 -23.785
  286    HG   SER  39           HG       SER  39  11.964  10.244 -21.581
  287    H    HIS  40           H        HIS  40   9.550   5.987 -20.496
  288    HA   HIS  40           HA       HIS  40  10.971   3.740 -21.499
  289   1HB   HIS  40          HB2       HIS  40   9.244   4.339 -19.358
  290   2HB   HIS  40          HB3       HIS  40   8.356   3.129 -20.280
  291    HD1  HIS  40           HD1      HIS  40  11.582   3.369 -18.150
  292    HD2  HIS  40           HD2      HIS  40   9.362   0.703 -20.498
  293    HE1  HIS  40           HE1      HIS  40  12.470   1.043 -17.632
  294    H    THR  41           H        THR  41  10.769   3.083 -23.505
  295    HA   THR  41           HA       THR  41   8.456   3.833 -25.043
  296    HB   THR  41           HB       THR  41  10.721   2.421 -26.345
  297    HG1  THR  41           HG1      THR  41  11.263   4.732 -24.835
  298   1HG2  THR  41          1HG2      THR  41   9.485   5.167 -26.736
  299   2HG2  THR  41          2HG2      THR  41  10.701   4.393 -27.803
  300   3HG2  THR  41          3HG2      THR  41   9.087   3.688 -27.632
  301    H    HIS  42           H        HIS  42   8.834   1.041 -23.220
  302    HA   HIS  42           HA       HIS  42   8.499  -0.895 -25.329
  303   1HB   HIS  42          HB2       HIS  42   8.121  -1.171 -22.351
  304   2HB   HIS  42          HB3       HIS  42   8.460  -2.449 -23.562
  305    HD2  HIS  42           HD2      HIS  42  11.040  -0.955 -24.964
  306    HE1  HIS  42           HE1      HIS  42  12.647  -1.014 -21.011
  307    HE2  HIS  42           HE2      HIS  42  13.205  -0.769 -23.489
  308    H    LYS  43           H        LYS  43   6.652  -2.628 -25.024
  309    HA   LYS  43           HA       LYS  43   4.230  -1.155 -25.285
  310   1HB   LYS  43          HB2       LYS  43   4.986  -3.336 -26.517
  311   2HB   LYS  43          HB3       LYS  43   4.296  -4.171 -25.143
  312   1HG   LYS  43          HG2       LYS  43   2.938  -2.073 -26.897
  313   2HG   LYS  43          HG3       LYS  43   2.731  -3.836 -27.124
  314   1HD   LYS  43          HD2       LYS  43   1.694  -2.055 -24.912
  315   2HD   LYS  43          HD3       LYS  43   0.763  -2.911 -26.134
  316   1HE   LYS  43          HE2       LYS  43   1.310  -5.087 -25.139
  317   2HE   LYS  43          HE3       LYS  43   2.475  -4.306 -24.047
  318   1HZ   LYS  43          HZ1       LYS  43  -0.435  -4.271 -23.898
  319   2HZ   LYS  43          HZ2       LYS  43   0.725  -4.557 -22.735
  320   3HZ   LYS  43          HZ3       LYS  43   0.434  -3.038 -23.237
  321    H    MET  44           H        MET  44   3.446  -0.287 -23.596
  322    HA   MET  44           HA       MET  44   3.317  -1.622 -20.920
  323   1HB   MET  44          HB2       MET  44   3.261   1.271 -21.927
  324   2HB   MET  44          HB3       MET  44   2.724   0.839 -20.286
  325   1HG   MET  44          HG2       MET  44   4.654   0.085 -19.572
  326   2HG   MET  44          HG3       MET  44   5.401  -0.122 -21.145
  327   1HE   MET  44          HE1       MET  44   6.155   2.925 -18.061
  328   2HE   MET  44          HE2       MET  44   4.646   2.025 -18.014
  329   3HE   MET  44          HE3       MET  44   6.173   1.140 -18.100
  330    H    VAL  45           H        VAL  45   1.332  -0.561 -19.710
  331    HA   VAL  45           HA       VAL  45  -1.185  -0.389 -21.135
  332    HB   VAL  45           HB       VAL  45  -2.100  -1.662 -19.182
  333   1HG1  VAL  45          1HG1      VAL  45  -1.812  -2.695 -21.514
  334   2HG1  VAL  45          2HG1      VAL  45  -0.317  -3.461 -20.888
  335   3HG1  VAL  45          3HG1      VAL  45  -1.898  -3.855 -20.184
  336   1HG2  VAL  45          1HG2      VAL  45   0.745  -2.596 -18.800
  337   2HG2  VAL  45          2HG2      VAL  45  -0.231  -1.617 -17.704
  338   3HG2  VAL  45          3HG2      VAL  45  -0.657  -3.324 -18.039
  339    H    LYS  46           H        LYS  46  -2.679   0.700 -19.251
  340    HA   LYS  46           HA       LYS  46  -1.073   2.344 -17.418
  341   1HB   LYS  46          HB2       LYS  46  -1.344   3.563 -19.642
  342   2HB   LYS  46          HB3       LYS  46  -3.092   3.531 -19.393
  343   1HG   LYS  46          HG2       LYS  46  -1.149   4.872 -17.449
  344   2HG   LYS  46          HG3       LYS  46  -1.817   5.646 -18.868
  345   1HD   LYS  46          HD2       LYS  46  -4.138   5.314 -17.910
  346   2HD   LYS  46          HD3       LYS  46  -3.370   4.738 -16.423
  347   1HE   LYS  46          HE2       LYS  46  -3.799   7.049 -16.170
  348   2HE   LYS  46          HE3       LYS  46  -2.043   6.869 -16.324
  349   1HZ   LYS  46          HZ1       LYS  46  -3.977   7.832 -18.344
  350   2HZ   LYS  46          HZ2       LYS  46  -2.915   8.706 -17.598
  351   3HZ   LYS  46          HZ3       LYS  46  -2.355   7.605 -18.690
  352    H    TRP  47           H        TRP  47  -2.234   2.578 -15.550
  353    HA   TRP  47           HA       TRP  47  -5.075   1.687 -15.492
  354   1HB   TRP  47          HB2       TRP  47  -3.008   1.013 -13.350
  355   2HB   TRP  47          HB3       TRP  47  -4.644   0.415 -13.486
  356    HD1  TRP  47           HD1      TRP  47  -1.126  -0.242 -14.500
  357    HE1  TRP  47           HE1      TRP  47  -0.935  -2.346 -15.935
  358    HE3  TRP  47           HE3      TRP  47  -6.016  -0.707 -15.894
  359    HZ2  TRP  47           HZ2      TRP  47  -2.648  -3.886 -17.706
  360    HZ3  TRP  47           HZ3      TRP  47  -6.650  -2.387 -17.628
  361    HH2  TRP  47           HH2      TRP  47  -4.982  -3.988 -18.482
  362    H    GLY  48           H        GLY  48  -6.271   3.334 -14.492
  363   1HA   GLY  48          HA2       GLY  48  -4.817   5.293 -12.859
  364   2HA   GLY  48          HA3       GLY  48  -5.577   5.811 -14.400
  365    H    LEU  49           H        LEU  49  -5.967   6.426 -11.593
  366    HA   LEU  49           HA       LEU  49  -8.868   5.943 -11.389
  367   1HB   LEU  49          HB2       LEU  49  -6.728   5.147  -9.429
  368   2HB   LEU  49          HB3       LEU  49  -8.242   5.681  -8.781
  369    HG   LEU  49           HG       LEU  49  -8.351   3.447  -8.778
  370   1HD1  LEU  49          1HD1      LEU  49 -10.293   2.839  -9.999
  371   2HD1  LEU  49          2HD1      LEU  49 -10.410   4.581  -9.643
  372   3HD1  LEU  49          3HD1      LEU  49  -9.983   4.029 -11.266
  373   1HD2  LEU  49          1HD2      LEU  49  -7.872   2.867 -11.684
  374   2HD2  LEU  49          2HD2      LEU  49  -6.524   3.004 -10.513
  375   3HD2  LEU  49          3HD2      LEU  49  -7.831   1.822 -10.267
  376    H    GLY  50           H        GLY  50  -6.228   8.248 -10.938
  377   1HA   GLY  50          HA2       GLY  50  -8.255  10.153  -9.859
  378   2HA   GLY  50          HA3       GLY  50  -6.704   9.913  -9.018
  379    H    LEU  51           H        LEU  51  -4.789   9.947 -10.942
  380    HA   LEU  51           HA       LEU  51  -5.203  12.540 -12.382
  381   1HB   LEU  51          HB2       LEU  51  -2.704  11.428 -11.056
  382   2HB   LEU  51          HB3       LEU  51  -2.783  12.857 -12.064
  383    HG   LEU  51           HG       LEU  51  -2.581  13.653  -9.909
  384   1HD1  LEU  51          1HD1      LEU  51  -4.564  14.920  -9.412
  385   2HD1  LEU  51          2HD1      LEU  51  -4.312  14.874 -11.155
  386   3HD1  LEU  51          3HD1      LEU  51  -5.555  13.837 -10.412
  387   1HD2  LEU  51          1HD2      LEU  51  -3.843  13.021  -7.932
  388   2HD2  LEU  51          2HD2      LEU  51  -4.838  11.893  -8.863
  389   3HD2  LEU  51          3HD2      LEU  51  -3.105  11.578  -8.664
  390    H    ASP  52           H        ASP  52  -6.065  11.081 -14.114
  391    HA   ASP  52           HA       ASP  52  -4.359   9.072 -15.270
  392   1HB   ASP  52          HB2       ASP  52  -6.903   9.223 -15.440
  393   2HB   ASP  52          HB3       ASP  52  -6.646  10.387 -16.737
  Start of MODEL   15
    1   1H    GLY   1           H1       GLY   1   3.883  -3.667 -10.371
    2   2H    GLY   1           H2       GLY   1   4.068  -2.131  -9.853
    3   3H    GLY   1           H3       GLY   1   5.177  -3.271  -9.426
    4   1HA   GLY   1          HA2       GLY   1   3.429  -4.491  -8.246
    5   2HA   GLY   1          HA3       GLY   1   3.757  -2.877  -7.554
    6    H    GLN   2           H        GLN   2   1.124  -4.600  -7.634
    7    HA   GLN   2           HA       GLN   2  -0.559  -2.357  -8.434
    8   1HB   GLN   2          HB2       GLN   2  -2.015  -3.918  -9.854
    9   2HB   GLN   2          HB3       GLN   2  -0.498  -3.373 -10.549
   10   1HG   GLN   2          HG2       GLN   2   0.563  -5.542 -10.089
   11   2HG   GLN   2          HG3       GLN   2  -0.924  -6.107  -9.303
   12   1HE2  GLN   2          2HE2      GLN   2   0.728  -5.748 -12.380
   13   2HE2  GLN   2          1HE2      GLN   2  -0.632  -6.345 -13.329
   14    H    ASP   3           H        ASP   3  -2.581  -2.350  -7.675
   15    HA   ASP   3           HA       ASP   3  -3.753  -4.304  -5.842
   16   1HB   ASP   3          HB2       ASP   3  -2.495  -2.818  -4.358
   17   2HB   ASP   3          HB3       ASP   3  -3.077  -1.377  -5.198
   18    H    ARG   4           H        ARG   4  -6.130  -3.708  -5.753
   19    HA   ARG   4           HA       ARG   4  -7.080  -3.027  -8.324
   20   1HB   ARG   4          HB2       ARG   4  -9.391  -2.797  -7.096
   21   2HB   ARG   4          HB3       ARG   4  -8.593  -4.352  -7.284
   22   1HG   ARG   4          HG2       ARG   4  -9.548  -4.184  -5.086
   23   2HG   ARG   4          HG3       ARG   4  -7.792  -4.309  -4.990
   24   1HD   ARG   4          HD2       ARG   4  -8.199  -1.561  -4.974
   25   2HD   ARG   4          HD3       ARG   4  -9.570  -2.102  -4.028
   26    HE   ARG   4           HE       ARG   4  -6.721  -2.207  -3.440
   27   1HH1  ARG   4          1HH1      ARG   4  -9.856  -3.202  -2.214
   28   2HH1  ARG   4          2HH1      ARG   4  -9.216  -3.930  -0.766
   29   1HH2  ARG   4          1HH2      ARG   4  -5.872  -3.283  -1.783
   30   2HH2  ARG   4          2HH2      ARG   4  -6.773  -3.834  -0.418
   31    H    PHE   5           H        PHE   5  -6.097  -0.697  -5.943
   32    HA   PHE   5           HA       PHE   5  -6.818   1.336  -7.923
   33   1HB   PHE   5          HB2       PHE   5  -7.801   2.853  -6.170
   34   2HB   PHE   5          HB3       PHE   5  -8.779   1.588  -6.806
   35    HD1  PHE   5           HD1      PHE   5 -10.383   1.277  -5.165
   36    HD2  PHE   5           HD2      PHE   5  -6.230   1.248  -3.987
   37    HE1  PHE   5           HE1      PHE   5 -11.039   0.507  -2.908
   38    HE2  PHE   5           HE2      PHE   5  -6.892   0.548  -1.736
   39    HZ   PHE   5           HZ       PHE   5  -9.280   0.206  -1.155
   40    H    VAL   6           H        VAL   6  -4.430  -0.056  -6.315
   41    HA   VAL   6           HA       VAL   6  -2.889   2.442  -6.060
   42    HB   VAL   6           HB       VAL   6  -3.558   0.512  -3.886
   43   1HG1  VAL   6          1HG1      VAL   6  -1.247  -0.133  -4.159
   44   2HG1  VAL   6          2HG1      VAL   6  -0.722   1.585  -4.052
   45   3HG1  VAL   6          3HG1      VAL   6  -1.492   0.777  -2.657
   46   1HG2  VAL   6          1HG2      VAL   6  -3.221   2.485  -2.525
   47   2HG2  VAL   6          2HG2      VAL   6  -2.598   3.379  -3.946
   48   3HG2  VAL   6          3HG2      VAL   6  -4.284   2.838  -3.891
   49    H    TYR   7           H        TYR   7  -0.722   2.199  -6.344
   50    HA   TYR   7           HA       TYR   7   0.317  -0.193  -7.693
   51   1HB   TYR   7          HB2       TYR   7  -0.101   2.571  -8.921
   52   2HB   TYR   7          HB3       TYR   7   0.743   1.261  -9.701
   53    HD1  TYR   7           HD1      TYR   7  -0.705  -0.922 -10.160
   54    HD2  TYR   7           HD2      TYR   7  -2.453   2.822  -8.925
   55    HE1  TYR   7           HE1      TYR   7  -2.914  -1.693 -10.967
   56    HE2  TYR   7           HE2      TYR   7  -4.654   1.971  -9.454
   57    HH   TYR   7           HH       TYR   7  -5.892   0.265 -10.457
   58    H    THR   8           H        THR   8   2.524   0.945  -8.767
   59    HA   THR   8           HA       THR   8   3.809   2.736  -6.802
   60    HB   THR   8           HB       THR   8   5.881   1.146  -7.536
   61    HG1  THR   8           HG1      THR   8   4.903  -0.415  -8.632
   62   1HG2  THR   8          1HG2      THR   8   5.526   1.575  -5.269
   63   2HG2  THR   8          2HG2      THR   8   3.955   0.720  -5.274
   64   3HG2  THR   8          3HG2      THR   8   5.497  -0.171  -5.407
   65    H    CYS   9           H        CYS   9   5.879   3.564  -7.843
   66    HA   CYS   9           HA       CYS   9   5.804   3.733 -10.817
   67   1HB   CYS   9          HB2       CYS   9   5.537   6.036  -9.915
   68   2HB   CYS   9          HB3       CYS   9   6.861   5.766  -8.778
   69    H    ASN  10           H        ASN  10   7.394   2.098 -11.207
   70    HA   ASN  10           HA       ASN  10   9.236   1.372  -9.127
   71   1HB   ASN  10          HB2       ASN  10   8.302  -0.191 -10.884
   72   2HB   ASN  10          HB3       ASN  10   9.386   0.579 -12.055
   73   1HD2  ASN  10          2HD2      ASN  10  10.945  -0.979 -12.368
   74   2HD2  ASN  10          1HD2      ASN  10  11.837  -1.774 -11.077
   75    H    GLU  11           H        GLU  11   9.218   4.163 -10.932
   76    HA   GLU  11           HA       GLU  11  12.143   4.217 -10.989
   77   1HB   GLU  11          HB2       GLU  11  10.174   5.618 -12.555
   78   2HB   GLU  11          HB3       GLU  11  11.292   6.746 -11.757
   79   1HG   GLU  11          HG2       GLU  11  12.318   4.331 -13.282
   80   2HG   GLU  11          HG3       GLU  11  12.154   5.933 -13.991
   81    H    CYS  12           H        CYS  12   9.369   5.318  -9.142
   82    HA   CYS  12           HA       CYS  12  11.108   7.054  -7.471
   83   1HB   CYS  12          HB2       CYS  12   8.112   6.611  -7.322
   84   2HB   CYS  12          HB3       CYS  12   9.052   7.798  -6.417
   85    H    LYS  13           H        LYS  13   9.551   4.009  -7.625
   86    HA   LYS  13           HA       LYS  13   9.102   2.276  -6.265
   87   1HB   LYS  13          HB2       LYS  13  11.888   3.032  -5.235
   88   2HB   LYS  13          HB3       LYS  13  11.009   1.652  -4.635
   89   1HG   LYS  13          HG2       LYS  13  11.757   0.413  -6.291
   90   2HG   LYS  13          HG3       LYS  13  10.758   1.318  -7.396
   91   1HD   LYS  13          HD2       LYS  13  13.706   1.671  -6.851
   92   2HD   LYS  13          HD3       LYS  13  12.852   1.224  -8.340
   93   1HE   LYS  13          HE2       LYS  13  11.808   3.570  -8.211
   94   2HE   LYS  13          HE3       LYS  13  13.088   3.960  -7.056
   95   1HZ   LYS  13          HZ1       LYS  13  14.698   3.411  -8.867
   96   2HZ   LYS  13          HZ2       LYS  13  13.406   3.032  -9.838
   97   3HZ   LYS  13          HZ3       LYS  13  13.649   4.547  -9.359
   98    H    HIS  14           H        HIS  14   7.803   4.464  -5.877
   99    HA   HIS  14           HA       HIS  14   6.985   4.128  -3.069
  100   1HB   HIS  14          HB2       HIS  14   8.054   6.326  -3.207
  101   2HB   HIS  14          HB3       HIS  14   7.054   6.754  -4.600
  102    HD2  HIS  14           HD2      HIS  14   4.895   8.042  -4.035
  103    HE1  HIS  14           HE1      HIS  14   3.898   6.263  -0.315
  104    HE2  HIS  14           HE2      HIS  14   3.112   7.829  -2.152
  105    H    HIS  15           H        HIS  15   4.694   4.742  -2.950
  106    HA   HIS  15           HA       HIS  15   3.117   3.230  -4.789
  107   1HB   HIS  15          HB2       HIS  15   1.988   2.999  -2.861
  108   2HB   HIS  15          HB3       HIS  15   2.925   4.280  -2.097
  109    HD2  HIS  15           HD2      HIS  15  -0.287   3.779  -4.200
  110    HE1  HIS  15           HE1      HIS  15  -0.638   7.574  -2.322
  111    HE2  HIS  15           HE2      HIS  15  -1.821   5.840  -3.771
  112    H    VAL  16           H        VAL  16   1.346   3.981  -6.024
  113    HA   VAL  16           HA       VAL  16   0.823   6.806  -6.391
  114    HB   VAL  16           HB       VAL  16   1.251   6.914  -8.735
  115   1HG1  VAL  16          1HG1      VAL  16   3.555   6.323  -9.126
  116   2HG1  VAL  16          2HG1      VAL  16   3.361   7.126  -7.558
  117   3HG1  VAL  16          3HG1      VAL  16   3.651   5.360  -7.659
  118   1HG2  VAL  16          1HG2      VAL  16   1.968   5.018 -10.138
  119   2HG2  VAL  16          2HG2      VAL  16   1.767   3.890  -8.788
  120   3HG2  VAL  16          3HG2      VAL  16   0.376   4.746  -9.488
  121    H    GLU  17           H        GLU  17  -1.279   7.032  -7.695
  122    HA   GLU  17           HA       GLU  17  -3.047   4.681  -7.141
  123   1HB   GLU  17          HB2       GLU  17  -4.849   6.512  -7.509
  124   2HB   GLU  17          HB3       GLU  17  -3.983   6.388  -5.969
  125   1HG   GLU  17          HG2       GLU  17  -4.307   8.749  -6.671
  126   2HG   GLU  17          HG3       GLU  17  -2.619   8.311  -6.451
  127    H    THR  18           H        THR  18  -1.661   6.630  -9.615
  128    HA   THR  18           HA       THR  18  -3.044   5.058 -11.724
  129    HB   THR  18           HB       THR  18  -2.474   8.071 -11.611
  130    HG1  THR  18           HG1      THR  18  -4.252   7.866 -10.528
  131   1HG2  THR  18          1HG2      THR  18  -2.922   8.229 -13.821
  132   2HG2  THR  18          2HG2      THR  18  -2.769   6.472 -13.966
  133   3HG2  THR  18          3HG2      THR  18  -4.355   7.234 -13.700
  134    H    ARG  19           H        ARG  19  -1.574   4.139 -13.141
  135    HA   ARG  19           HA       ARG  19   1.185   5.240 -13.251
  136   1HB   ARG  19          HB2       ARG  19   2.277   3.153 -12.845
  137   2HB   ARG  19          HB3       ARG  19   1.206   3.391 -11.485
  138   1HG   ARG  19          HG2       ARG  19  -0.415   1.851 -12.376
  139   2HG   ARG  19          HG3       ARG  19   0.503   1.657 -13.896
  140   1HD   ARG  19          HD2       ARG  19   2.181   0.386 -12.976
  141   2HD   ARG  19          HD3       ARG  19   1.708   0.674 -11.327
  142    HE   ARG  19           HE       ARG  19  -0.576  -0.356 -12.291
  143   1HH1  ARG  19          1HH1      ARG  19   2.690  -1.747 -12.082
  144   2HH1  ARG  19          2HH1      ARG  19   2.202  -3.287 -12.685
  145   1HH2  ARG  19          2HH2      ARG  19  -1.162  -2.480 -13.170
  146   2HH2  ARG  19          1HH2      ARG  19   0.079  -3.663 -13.295
  147    H    TRP  20           H        TRP  20   2.429   4.208 -14.841
  148    HA   TRP  20           HA       TRP  20   1.052   3.139 -17.267
  149   1HB   TRP  20          HB2       TRP  20   3.737   4.526 -16.882
  150   2HB   TRP  20          HB3       TRP  20   3.080   3.939 -18.416
  151    HD1  TRP  20           HD1      TRP  20   2.550   6.722 -15.839
  152    HE1  TRP  20           HE1      TRP  20   0.923   8.476 -16.707
  153    HE3  TRP  20           HE3      TRP  20   1.306   4.508 -20.246
  154    HZ2  TRP  20           HZ2      TRP  20  -0.719   8.899 -19.054
  155    HZ3  TRP  20           HZ3      TRP  20  -0.313   5.592 -21.793
  156    HH2  TRP  20           HH2      TRP  20  -1.345   7.787 -21.188
  157    H    HIS  21           H        HIS  21   1.803   1.010 -17.730
  158    HA   HIS  21           HA       HIS  21   3.703  -0.191 -15.792
  159   1HB   HIS  21          HB2       HIS  21   1.797  -0.770 -14.746
  160   2HB   HIS  21          HB3       HIS  21   0.803  -0.743 -16.184
  161    HD2  HIS  21           HD2      HIS  21   3.893  -3.098 -16.080
  162    HE1  HIS  21           HE1      HIS  21   0.429  -5.552 -15.935
  163    HE2  HIS  21           HE2      HIS  21   2.996  -5.520 -16.171
  164    H    CYS  22           H        CYS  22   5.228  -1.168 -16.815
  165    HA   CYS  22           HA       CYS  22   5.334  -1.775 -19.624
  166   1HB   CYS  22          HB2       CYS  22   6.972  -1.813 -17.156
  167   2HB   CYS  22          HB3       CYS  22   7.411  -3.080 -18.292
  168    H    THR  23           H        THR  23   4.424  -3.405 -20.583
  169    HA   THR  23           HA       THR  23   3.911  -5.917 -19.085
  170    HB   THR  23           HB       THR  23   2.284  -6.491 -20.942
  171    HG1  THR  23           HG1      THR  23   3.340  -4.240 -21.923
  172   1HG2  THR  23          1HG2      THR  23   1.920  -3.931 -19.405
  173   2HG2  THR  23          2HG2      THR  23   0.584  -5.028 -19.950
  174   3HG2  THR  23          3HG2      THR  23   1.721  -5.543 -18.700
  175    H    VAL  24           H        VAL  24   6.349  -4.910 -20.346
  176    HA   VAL  24           HA       VAL  24   7.404  -6.992 -22.098
  177    HB   VAL  24           HB       VAL  24   7.610  -4.749 -22.833
  178   1HG1  VAL  24          1HG1      VAL  24   7.082  -3.076 -21.569
  179   2HG1  VAL  24          2HG1      VAL  24   7.547  -3.882 -20.096
  180   3HG1  VAL  24          3HG1      VAL  24   8.789  -3.092 -20.992
  181   1HG2  VAL  24          1HG2      VAL  24   9.995  -4.147 -22.736
  182   2HG2  VAL  24          2HG2      VAL  24  10.203  -5.162 -21.300
  183   3HG2  VAL  24          3HG2      VAL  24   9.855  -5.919 -22.880
  184    H    CYS  25           H        CYS  25   8.275  -5.013 -19.309
  185    HA   CYS  25           HA       CYS  25  10.095  -6.839 -18.030
  186   1HB   CYS  25          HB2       CYS  25   8.694  -4.444 -16.848
  187   2HB   CYS  25          HB3       CYS  25  10.315  -5.040 -16.475
  188    H    GLU  26           H        GLU  26   9.729  -7.191 -15.571
  189    HA   GLU  26           HA       GLU  26   7.207  -8.588 -15.150
  190   1HB   GLU  26          HB2       GLU  26   9.863  -8.456 -13.750
  191   2HB   GLU  26          HB3       GLU  26   8.430  -8.842 -12.795
  192   1HG   GLU  26          HG2       GLU  26   7.799 -10.635 -14.278
  193   2HG   GLU  26          HG3       GLU  26   9.221 -10.347 -15.300
  194    H    ASP  27           H        ASP  27   5.678  -7.010 -15.112
  195    HA   ASP  27           HA       ASP  27   4.374  -5.334 -14.398
  196   1HB   ASP  27          HB2       ASP  27   3.980  -7.291 -12.860
  197   2HB   ASP  27          HB3       ASP  27   5.027  -6.520 -11.666
  198    H    TYR  28           H        TYR  28   6.897  -4.402 -14.812
  199    HA   TYR  28           HA       TYR  28   7.786  -2.529 -12.835
  200   1HB   TYR  28          HB2       TYR  28   9.207  -3.433 -14.622
  201   2HB   TYR  28          HB3       TYR  28   8.228  -2.691 -15.863
  202    HD1  TYR  28           HD1      TYR  28  11.236  -2.346 -14.116
  203    HD2  TYR  28           HD2      TYR  28   8.021  -0.033 -15.806
  204    HE1  TYR  28           HE1      TYR  28  12.621  -0.302 -13.974
  205    HE2  TYR  28           HE2      TYR  28   9.406   1.994 -15.689
  206    HH   TYR  28           HH       TYR  28  11.354   2.907 -14.859
  207    H    ASP  29           H        ASP  29   7.327  -0.298 -12.680
  208    HA   ASP  29           HA       ASP  29   4.900   0.609 -14.155
  209   1HB   ASP  29          HB2       ASP  29   5.463   1.671 -11.398
  210   2HB   ASP  29          HB3       ASP  29   3.951   1.338 -12.179
  211    H    LEU  30           H        LEU  30   4.620   2.967 -14.163
  212    HA   LEU  30           HA       LEU  30   6.782   4.613 -13.103
  213   1HB   LEU  30          HB2       LEU  30   5.774   4.702 -15.991
  214   2HB   LEU  30          HB3       LEU  30   6.636   6.004 -15.184
  215    HG   LEU  30           HG       LEU  30   7.724   3.232 -15.815
  216   1HD1  LEU  30          1HD1      LEU  30   9.275   4.436 -17.265
  217   2HD1  LEU  30          2HD1      LEU  30   7.609   4.743 -17.764
  218   3HD1  LEU  30          3HD1      LEU  30   8.516   5.979 -16.841
  219   1HD2  LEU  30          1HD2      LEU  30   9.955   4.235 -15.012
  220   2HD2  LEU  30          2HD2      LEU  30   9.039   5.642 -14.464
  221   3HD2  LEU  30          3HD2      LEU  30   8.790   4.081 -13.685
  222    H    CYS  31           H        CYS  31   5.882   6.409 -12.096
  223    HA   CYS  31           HA       CYS  31   3.079   6.972 -12.256
  224   1HB   CYS  31          HB2       CYS  31   3.635   9.008 -11.058
  225   2HB   CYS  31          HB3       CYS  31   4.413   7.679 -10.257
  226    H    ILE  32           H        ILE  32   2.388   9.157 -12.985
  227    HA   ILE  32           HA       ILE  32   2.629   9.319 -15.748
  228    HB   ILE  32           HB       ILE  32   1.890  11.633 -13.938
  229   1HG1  ILE  32          2HG1      ILE  32   0.561   9.978 -12.970
  230   2HG1  ILE  32          3HG1      ILE  32  -0.493  10.863 -14.028
  231   1HG2  ILE  32          1HG2      ILE  32   0.365  12.156 -15.874
  232   2HG2  ILE  32          2HG2      ILE  32   2.110  12.214 -16.232
  233   3HG2  ILE  32          3HG2      ILE  32   1.157  10.813 -16.760
  234   1HD1  ILE  32          1HD1      ILE  32  -0.540   9.017 -15.630
  235   2HD1  ILE  32          2HD1      ILE  32   0.740   8.145 -14.739
  236   3HD1  ILE  32          3HD1      ILE  32  -0.816   8.376 -13.991
  237    H    ASN  33           H        ASN  33   4.369  11.246 -13.330
  238    HA   ASN  33           HA       ASN  33   5.665  12.984 -15.157
  239   1HB   ASN  33          HB2       ASN  33   5.757  13.766 -12.927
  240   2HB   ASN  33          HB3       ASN  33   5.978  12.158 -12.251
  241   1HD2  ASN  33          2HD2      ASN  33   8.110  11.388 -11.841
  242   2HD2  ASN  33          1HD2      ASN  33   9.496  12.418 -12.112
  243    H    CYS  34           H        CYS  34   6.739   9.919 -13.684
  244    HA   CYS  34           HA       CYS  34   9.320  10.056 -14.948
  245   1HB   CYS  34          HB2       CYS  34   7.732   7.818 -13.644
  246   2HB   CYS  34          HB3       CYS  34   9.351   7.636 -14.372
  247    H    TYR  35           H        TYR  35   6.213   8.492 -15.850
  248    HA   TYR  35           HA       TYR  35   7.188   7.181 -18.143
  249   1HB   TYR  35          HB2       TYR  35   4.954   6.794 -17.235
  250   2HB   TYR  35          HB3       TYR  35   4.472   8.435 -17.636
  251    HD1  TYR  35           HD1      TYR  35   5.873   5.346 -19.305
  252    HD2  TYR  35           HD2      TYR  35   3.318   8.800 -19.621
  253    HE1  TYR  35           HE1      TYR  35   5.274   4.658 -21.592
  254    HE2  TYR  35           HE2      TYR  35   2.636   8.068 -21.920
  255    HH   TYR  35           HH       TYR  35   4.041   5.124 -23.416
  256    H    ASN  36           H        ASN  36   5.990  10.487 -17.649
  257    HA   ASN  36           HA       ASN  36   6.193  11.522 -20.265
  258   1HB   ASN  36          HB2       ASN  36   5.814  12.611 -17.499
  259   2HB   ASN  36          HB3       ASN  36   6.428  13.752 -18.641
  260   1HD2  ASN  36          2HD2      ASN  36   3.712  11.581 -18.035
  261   2HD2  ASN  36          1HD2      ASN  36   2.576  12.416 -19.103
  262    H    THR  37           H        THR  37   8.809  10.812 -18.094
  263    HA   THR  37           HA       THR  37  10.556  12.654 -19.699
  264    HB   THR  37           HB       THR  37  11.858  13.045 -17.621
  265    HG1  THR  37           HG1      THR  37   9.576  12.222 -16.203
  266   1HG2  THR  37          1HG2      THR  37  10.221  14.724 -18.440
  267   2HG2  THR  37          2HG2      THR  37   8.974  13.969 -17.440
  268   3HG2  THR  37          3HG2      THR  37  10.385  14.720 -16.673
  269    H    LYS  38           H        LYS  38  10.621   9.851 -17.564
  270    HA   LYS  38           HA       LYS  38  13.298   9.049 -18.192
  271   1HB   LYS  38          HB2       LYS  38  11.055   7.257 -17.216
  272   2HB   LYS  38          HB3       LYS  38  12.769   7.005 -16.986
  273   1HG   LYS  38          HG2       LYS  38  11.160   9.310 -15.763
  274   2HG   LYS  38          HG3       LYS  38  11.500   7.797 -14.955
  275   1HD   LYS  38          HD2       LYS  38  13.924   8.312 -14.956
  276   2HD   LYS  38          HD3       LYS  38  13.615   9.770 -15.911
  277   1HE   LYS  38          HE2       LYS  38  13.850  10.425 -13.568
  278   2HE   LYS  38          HE3       LYS  38  12.180  10.679 -14.103
  279   1HZ   LYS  38          HZ1       LYS  38  13.119   8.326 -12.604
  280   2HZ   LYS  38          HZ2       LYS  38  12.357   9.608 -11.885
  281   3HZ   LYS  38          HZ3       LYS  38  11.566   8.680 -12.954
  282    H    SER  39           H        SER  39  10.466   8.882 -20.083
  283    HA   SER  39           HA       SER  39   9.914   7.813 -21.994
  284   1HB   SER  39          HB2       SER  39  12.867   8.396 -22.483
  285   2HB   SER  39          HB3       SER  39  11.575   8.300 -23.695
  286    HG   SER  39           HG       SER  39  11.995  10.250 -21.686
  287    H    HIS  40           H        HIS  40  10.260   5.823 -20.170
  288    HA   HIS  40           HA       HIS  40  11.878   3.615 -21.077
  289   1HB   HIS  40          HB2       HIS  40  10.846   4.219 -18.773
  290   2HB   HIS  40          HB3       HIS  40   9.372   3.466 -19.381
  291    HD1  HIS  40           HD1      HIS  40  12.516   2.759 -17.566
  292    HD2  HIS  40           HD2      HIS  40   9.757   0.722 -19.989
  293    HE1  HIS  40           HE1      HIS  40  12.742   0.311 -16.959
  294    H    THR  41           H        THR  41  11.458   3.585 -23.284
  295    HA   THR  41           HA       THR  41   9.098   3.899 -24.595
  296    HB   THR  41           HB       THR  41  11.244   2.317 -25.919
  297    HG1  THR  41           HG1      THR  41  11.939   4.746 -24.656
  298   1HG2  THR  41          1HG2      THR  41   9.607   3.635 -27.210
  299   2HG2  THR  41          2HG2      THR  41  10.168   5.132 -26.425
  300   3HG2  THR  41          3HG2      THR  41  11.253   4.224 -27.507
  301    H    HIS  42           H        HIS  42   9.145   1.141 -22.733
  302    HA   HIS  42           HA       HIS  42   8.812  -0.749 -24.926
  303   1HB   HIS  42          HB2       HIS  42   8.274  -1.072 -22.002
  304   2HB   HIS  42          HB3       HIS  42   8.598  -2.333 -23.230
  305    HD2  HIS  42           HD2      HIS  42  11.329  -0.982 -24.439
  306    HE1  HIS  42           HE1      HIS  42  12.764  -1.309 -20.441
  307    HE2  HIS  42           HE2      HIS  42  13.444  -1.014 -22.873
  308    H    LYS  43           H        LYS  43   6.943  -2.394 -24.692
  309    HA   LYS  43           HA       LYS  43   4.530  -0.887 -25.146
  310   1HB   LYS  43          HB2       LYS  43   5.398  -3.037 -26.369
  311   2HB   LYS  43          HB3       LYS  43   4.643  -3.916 -25.050
  312   1HG   LYS  43          HG2       LYS  43   3.373  -1.838 -26.913
  313   2HG   LYS  43          HG3       LYS  43   3.214  -3.577 -27.135
  314   1HD   LYS  43          HD2       LYS  43   1.986  -1.790 -25.031
  315   2HD   LYS  43          HD3       LYS  43   1.146  -2.674 -26.288
  316   1HE   LYS  43          HE2       LYS  43   1.656  -4.816 -25.230
  317   2HE   LYS  43          HE3       LYS  43   2.684  -4.018 -24.049
  318   1HZ   LYS  43          HZ1       LYS  43  -0.236  -3.971 -24.155
  319   2HZ   LYS  43          HZ2       LYS  43   0.791  -4.252 -22.883
  320   3HZ   LYS  43          HZ3       LYS  43   0.590  -2.751 -23.427
  321    H    MET  44           H        MET  44   3.503  -0.119 -23.569
  322    HA   MET  44           HA       MET  44   3.283  -1.491 -20.913
  323   1HB   MET  44          HB2       MET  44   3.294   1.415 -21.847
  324   2HB   MET  44          HB3       MET  44   2.717   0.929 -20.242
  325   1HG   MET  44          HG2       MET  44   4.710   0.204 -19.512
  326   2HG   MET  44          HG3       MET  44   5.456   0.003 -21.077
  327   1HE   MET  44          HE1       MET  44   6.069   3.110 -17.960
  328   2HE   MET  44          HE2       MET  44   4.515   2.246 -18.006
  329   3HE   MET  44          HE3       MET  44   6.019   1.326 -17.944
  330    H    VAL  45           H        VAL  45   1.296  -0.469 -19.761
  331    HA   VAL  45           HA       VAL  45  -1.188  -0.236 -21.241
  332    HB   VAL  45           HB       VAL  45  -2.158  -1.528 -19.295
  333   1HG1  VAL  45          1HG1      VAL  45  -0.358  -3.308 -21.003
  334   2HG1  VAL  45          2HG1      VAL  45  -1.941  -3.721 -20.296
  335   3HG1  VAL  45          3HG1      VAL  45  -1.876  -2.547 -21.610
  336   1HG2  VAL  45          1HG2      VAL  45  -0.373  -1.528 -17.762
  337   2HG2  VAL  45          2HG2      VAL  45  -0.759  -3.230 -18.171
  338   3HG2  VAL  45          3HG2      VAL  45   0.664  -2.477 -18.844
  339    H    LYS  46           H        LYS  46  -2.708   0.692 -19.223
  340    HA   LYS  46           HA       LYS  46  -1.140   2.363 -17.373
  341   1HB   LYS  46          HB2       LYS  46  -1.408   3.639 -19.538
  342   2HB   LYS  46          HB3       LYS  46  -3.148   3.563 -19.340
  343   1HG   LYS  46          HG2       LYS  46  -1.284   4.894 -17.274
  344   2HG   LYS  46          HG3       LYS  46  -1.880   5.676 -18.727
  345   1HD   LYS  46          HD2       LYS  46  -4.268   5.301 -17.865
  346   2HD   LYS  46          HD3       LYS  46  -3.511   4.772 -16.346
  347   1HE   LYS  46          HE2       LYS  46  -3.918   7.006 -15.991
  348   2HE   LYS  46          HE3       LYS  46  -2.177   6.925 -16.350
  349   1HZ   LYS  46          HZ1       LYS  46  -4.346   7.761 -18.167
  350   2HZ   LYS  46          HZ2       LYS  46  -3.322   8.712 -17.467
  351   3HZ   LYS  46          HZ3       LYS  46  -2.731   7.676 -18.618
  352    H    TRP  47           H        TRP  47  -2.325   2.662 -15.540
  353    HA   TRP  47           HA       TRP  47  -5.125   1.693 -15.472
  354   1HB   TRP  47          HB2       TRP  47  -3.036   1.037 -13.372
  355   2HB   TRP  47          HB3       TRP  47  -4.678   0.439 -13.477
  356    HD1  TRP  47           HD1      TRP  47  -1.190  -0.347 -14.493
  357    HE1  TRP  47           HE1      TRP  47  -1.035  -2.366 -16.032
  358    HE3  TRP  47           HE3      TRP  47  -6.119  -0.699 -15.905
  359    HZ2  TRP  47           HZ2      TRP  47  -2.765  -3.803 -17.861
  360    HZ3  TRP  47           HZ3      TRP  47  -6.725  -2.202 -17.773
  361    HH2  TRP  47           HH2      TRP  47  -5.086  -3.798 -18.690
  362    H    GLY  48           H        GLY  48  -6.377   3.172 -14.192
  363   1HA   GLY  48          HA2       GLY  48  -4.882   5.262 -12.787
  364   2HA   GLY  48          HA3       GLY  48  -5.815   5.727 -14.244
  365    H    LEU  49           H        LEU  49  -6.064   6.394 -11.450
  366    HA   LEU  49           HA       LEU  49  -8.906   5.709 -11.094
  367   1HB   LEU  49          HB2       LEU  49  -6.766   4.459  -9.576
  368   2HB   LEU  49          HB3       LEU  49  -7.615   5.509  -8.502
  369    HG   LEU  49           HG       LEU  49  -8.443   3.252  -8.465
  370   1HD1  LEU  49          1HD1      LEU  49 -10.851   3.739  -8.573
  371   2HD1  LEU  49          2HD1      LEU  49  -9.938   5.050  -7.812
  372   3HD1  LEU  49          3HD1      LEU  49 -10.502   5.234  -9.488
  373   1HD2  LEU  49          1HD2      LEU  49  -9.638   2.125 -10.142
  374   2HD2  LEU  49          2HD2      LEU  49  -9.651   3.509 -11.245
  375   3HD2  LEU  49          3HD2      LEU  49  -8.124   2.668 -10.880
  376    H    GLY  50           H        GLY  50  -6.305   8.041 -10.602
  377   1HA   GLY  50          HA2       GLY  50  -8.351   9.894  -9.454
  378   2HA   GLY  50          HA3       GLY  50  -6.798   9.650  -8.628
  379    H    LEU  51           H        LEU  51  -5.056   9.634 -10.960
  380    HA   LEU  51           HA       LEU  51  -5.473  12.359 -12.093
  381   1HB   LEU  51          HB2       LEU  51  -2.994  11.165 -10.766
  382   2HB   LEU  51          HB3       LEU  51  -3.005  12.702 -11.631
  383    HG   LEU  51           HG       LEU  51  -4.680  12.183  -9.144
  384   1HD1  LEU  51          1HD1      LEU  51  -2.962  13.476  -7.921
  385   2HD1  LEU  51          2HD1      LEU  51  -2.351  11.950  -8.558
  386   3HD1  LEU  51          3HD1      LEU  51  -1.938  13.474  -9.382
  387   1HD2  LEU  51          1HD2      LEU  51  -3.876  14.758 -10.581
  388   2HD2  LEU  51          2HD2      LEU  51  -5.511  14.039 -10.513
  389   3HD2  LEU  51          3HD2      LEU  51  -4.769  14.689  -9.048
  390    H    ASP  52           H        ASP  52  -6.341  10.613 -13.696
  391    HA   ASP  52           HA       ASP  52  -4.540   8.929 -15.096
  392   1HB   ASP  52          HB2       ASP  52  -7.103   8.835 -15.029
  393   2HB   ASP  52          HB3       ASP  52  -7.101  10.032 -16.314
  Start of MODEL   16
    1   1H    GLY   1           H1       GLY   1   3.506  -3.742 -10.121
    2   2H    GLY   1           H2       GLY   1   3.661  -2.185  -9.700
    3   3H    GLY   1           H3       GLY   1   4.800  -3.300  -9.226
    4   1HA   GLY   1          HA2       GLY   1   3.053  -4.434  -7.933
    5   2HA   GLY   1          HA3       GLY   1   3.451  -2.781  -7.355
    6    H    GLN   2           H        GLN   2   0.789  -4.195  -6.979
    7    HA   GLN   2           HA       GLN   2  -0.891  -2.064  -7.996
    8   1HB   GLN   2          HB2       GLN   2  -2.413  -3.553  -9.229
    9   2HB   GLN   2          HB3       GLN   2  -0.834  -3.532  -9.967
   10   1HG   GLN   2          HG2       GLN   2  -1.838  -5.736  -8.137
   11   2HG   GLN   2          HG3       GLN   2  -1.904  -5.787  -9.907
   12   1HE2  GLN   2          2HE2      GLN   2   0.312  -5.523 -11.067
   13   2HE2  GLN   2          1HE2      GLN   2   1.694  -6.176 -10.263
   14    H    ASP   3           H        ASP   3  -3.036  -2.246  -7.377
   15    HA   ASP   3           HA       ASP   3  -4.137  -3.924  -5.305
   16   1HB   ASP   3          HB2       ASP   3  -3.104  -2.359  -3.794
   17   2HB   ASP   3          HB3       ASP   3  -3.408  -0.996  -4.892
   18    H    ARG   4           H        ARG   4  -6.559  -2.908  -5.185
   19    HA   ARG   4           HA       ARG   4  -7.515  -2.620  -7.872
   20   1HB   ARG   4          HB2       ARG   4  -9.704  -2.065  -6.813
   21   2HB   ARG   4          HB3       ARG   4  -8.996  -3.641  -6.477
   22   1HG   ARG   4          HG2       ARG   4 -10.106  -2.732  -4.517
   23   2HG   ARG   4          HG3       ARG   4  -8.385  -2.941  -4.199
   24   1HD   ARG   4          HD2       ARG   4  -8.021  -0.556  -4.372
   25   2HD   ARG   4          HD3       ARG   4  -9.640  -0.285  -5.009
   26    HE   ARG   4           HE       ARG   4 -10.543  -0.395  -2.896
   27   1HH1  ARG   4          1HH2      ARG   4  -7.067  -1.292  -2.664
   28   2HH1  ARG   4          2HH2      ARG   4  -7.001  -1.208  -0.998
   29   1HH2  ARG   4          1HH1      ARG   4 -10.459  -0.318  -0.622
   30   2HH2  ARG   4          2HH1      ARG   4  -8.965  -0.585   0.221
   31    H    PHE   5           H        PHE   5  -6.347  -0.121  -5.614
   32    HA   PHE   5           HA       PHE   5  -6.635   1.719  -7.825
   33   1HB   PHE   5          HB2       PHE   5  -7.807   3.468  -6.668
   34   2HB   PHE   5          HB3       PHE   5  -8.792   2.054  -6.803
   35    HD1  PHE   5           HD1      PHE   5 -10.300   3.164  -5.253
   36    HD2  PHE   5           HD2      PHE   5  -6.366   1.898  -3.997
   37    HE1  PHE   5           HE1      PHE   5 -10.972   3.384  -2.890
   38    HE2  PHE   5           HE2      PHE   5  -7.007   2.149  -1.665
   39    HZ   PHE   5           HZ       PHE   5  -9.327   2.841  -1.056
   40    H    VAL   6           H        VAL   6  -4.513   0.414  -6.149
   41    HA   VAL   6           HA       VAL   6  -2.841   2.801  -5.930
   42    HB   VAL   6           HB       VAL   6  -3.654   0.936  -3.725
   43   1HG1  VAL   6          1HG1      VAL   6  -1.587   1.154  -2.492
   44   2HG1  VAL   6          2HG1      VAL   6  -1.355   0.181  -3.943
   45   3HG1  VAL   6          3HG1      VAL   6  -0.752   1.862  -3.897
   46   1HG2  VAL   6          1HG2      VAL   6  -2.705   3.812  -3.933
   47   2HG2  VAL   6          2HG2      VAL   6  -4.347   3.240  -3.769
   48   3HG2  VAL   6          3HG2      VAL   6  -3.222   2.993  -2.422
   49    H    TYR   7           H        TYR   7  -0.688   2.342  -6.264
   50    HA   TYR   7           HA       TYR   7   0.217  -0.170  -7.475
   51   1HB   TYR   7          HB2       TYR   7  -0.138   2.510  -8.914
   52   2HB   TYR   7          HB3       TYR   7   0.666   1.141  -9.602
   53    HD1  TYR   7           HD1      TYR   7  -0.965  -1.007 -10.073
   54    HD2  TYR   7           HD2      TYR   7  -2.422   2.824  -8.780
   55    HE1  TYR   7           HE1      TYR   7  -3.263  -1.612 -10.838
   56    HE2  TYR   7           HE2      TYR   7  -4.708   2.148  -9.321
   57    HH   TYR   7           HH       TYR   7  -6.084   0.421 -10.206
   58    H    THR   8           H        THR   8   2.469   0.887  -8.671
   59    HA   THR   8           HA       THR   8   3.745   2.718  -6.743
   60    HB   THR   8           HB       THR   8   5.860   1.147  -7.438
   61    HG1  THR   8           HG1      THR   8   4.961  -0.410  -8.557
   62   1HG2  THR   8          1HG2      THR   8   5.498  -0.208  -5.360
   63   2HG2  THR   8          2HG2      THR   8   5.462   1.544  -5.190
   64   3HG2  THR   8          3HG2      THR   8   3.924   0.611  -5.185
   65    H    CYS   9           H        CYS   9   5.857   3.560  -7.766
   66    HA   CYS   9           HA       CYS   9   5.852   3.737 -10.731
   67   1HB   CYS   9          HB2       CYS   9   5.536   6.034  -9.840
   68   2HB   CYS   9          HB3       CYS   9   6.832   5.791  -8.669
   69    H    ASN  10           H        ASN  10   7.413   2.127 -11.083
   70    HA   ASN  10           HA       ASN  10   9.223   1.320  -9.041
   71   1HB   ASN  10          HB2       ASN  10   8.301  -0.157 -10.880
   72   2HB   ASN  10          HB3       ASN  10   9.445   0.622 -11.986
   73   1HD2  ASN  10          2HD2      ASN  10  11.102  -0.893 -12.284
   74   2HD2  ASN  10          1HD2      ASN  10  11.884  -1.733 -10.947
   75    H    GLU  11           H        GLU  11   9.257   4.176 -10.745
   76    HA   GLU  11           HA       GLU  11  12.187   4.216 -10.732
   77   1HB   GLU  11          HB2       GLU  11  10.236   5.680 -12.338
   78   2HB   GLU  11          HB3       GLU  11  11.412   6.721 -11.572
   79   1HG   GLU  11          HG2       GLU  11  12.203   4.195 -13.118
   80   2HG   GLU  11          HG3       GLU  11  12.242   5.816 -13.806
   81    H    CYS  12           H        CYS  12   9.390   5.354  -8.965
   82    HA   CYS  12           HA       CYS  12  11.118   7.084  -7.249
   83   1HB   CYS  12          HB2       CYS  12   8.116   6.625  -7.086
   84   2HB   CYS  12          HB3       CYS  12   9.069   7.824  -6.216
   85    H    LYS  13           H        LYS  13   9.551   4.033  -7.484
   86    HA   LYS  13           HA       LYS  13   9.081   2.287  -6.149
   87   1HB   LYS  13          HB2       LYS  13  11.834   3.002  -5.069
   88   2HB   LYS  13          HB3       LYS  13  10.920   1.610  -4.502
   89   1HG   LYS  13          HG2       LYS  13  11.668   0.396  -6.203
   90   2HG   LYS  13          HG3       LYS  13  10.700   1.376  -7.284
   91   1HD   LYS  13          HD2       LYS  13  13.657   1.626  -6.633
   92   2HD   LYS  13          HD3       LYS  13  12.842   1.180  -8.147
   93   1HE   LYS  13          HE2       LYS  13  11.818   3.544  -8.057
   94   2HE   LYS  13          HE3       LYS  13  13.096   3.939  -6.903
   95   1HZ   LYS  13          HZ1       LYS  13  13.719   4.473  -9.157
   96   2HZ   LYS  13          HZ2       LYS  13  14.695   3.253  -8.666
   97   3HZ   LYS  13          HZ3       LYS  13  13.403   2.996  -9.680
   98    H    HIS  14           H        HIS  14   7.740   4.327  -5.789
   99    HA   HIS  14           HA       HIS  14   6.871   4.222  -2.995
  100   1HB   HIS  14          HB2       HIS  14   7.385   6.716  -4.663
  101   2HB   HIS  14          HB3       HIS  14   6.100   6.696  -3.478
  102    HD2  HIS  14           HD2      HIS  14   9.690   7.471  -3.659
  103    HE1  HIS  14           HE1      HIS  14   9.119   6.363   0.409
  104    HE2  HIS  14           HE2      HIS  14  10.715   7.443  -1.250
  105    H    HIS  15           H        HIS  15   4.624   4.894  -2.910
  106    HA   HIS  15           HA       HIS  15   3.099   3.391  -4.828
  107   1HB   HIS  15          HB2       HIS  15   1.871   3.082  -2.980
  108   2HB   HIS  15          HB3       HIS  15   2.772   4.319  -2.098
  109    HD2  HIS  15           HD2      HIS  15  -0.354   3.898  -4.313
  110    HE1  HIS  15           HE1      HIS  15  -0.706   7.721  -2.485
  111    HE2  HIS  15           HE2      HIS  15  -1.893   6.003  -3.949
  112    H    VAL  16           H        VAL  16   1.249   4.131  -5.971
  113    HA   VAL  16           HA       VAL  16   0.824   6.950  -6.486
  114    HB   VAL  16           HB       VAL  16   1.207   6.846  -8.885
  115   1HG1  VAL  16          1HG1      VAL  16   3.522   6.305  -9.209
  116   2HG1  VAL  16          2HG1      VAL  16   3.293   7.294  -7.737
  117   3HG1  VAL  16          3HG1      VAL  16   3.648   5.547  -7.627
  118   1HG2  VAL  16          1HG2      VAL  16   0.412   4.613  -9.393
  119   2HG2  VAL  16          2HG2      VAL  16   2.051   4.803 -10.030
  120   3HG2  VAL  16          3HG2      VAL  16   1.795   3.866  -8.562
  121    H    GLU  17           H        GLU  17  -1.364   7.096  -7.781
  122    HA   GLU  17           HA       GLU  17  -3.037   4.713  -7.142
  123   1HB   GLU  17          HB2       GLU  17  -4.889   6.475  -7.448
  124   2HB   GLU  17          HB3       GLU  17  -3.949   6.463  -5.960
  125   1HG   GLU  17          HG2       GLU  17  -4.387   8.785  -6.816
  126   2HG   GLU  17          HG3       GLU  17  -2.679   8.412  -6.600
  127    H    THR  18           H        THR  18  -1.736   6.554  -9.674
  128    HA   THR  18           HA       THR  18  -3.109   4.964 -11.798
  129    HB   THR  18           HB       THR  18  -2.440   7.940 -11.589
  130    HG1  THR  18           HG1      THR  18  -4.336   7.716 -10.684
  131   1HG2  THR  18          1HG2      THR  18  -4.051   7.228 -13.924
  132   2HG2  THR  18          2HG2      THR  18  -2.718   8.334 -13.716
  133   3HG2  THR  18          3HG2      THR  18  -2.379   6.609 -14.010
  134    H    ARG  19           H        ARG  19  -1.584   4.145 -13.270
  135    HA   ARG  19           HA       ARG  19   1.162   5.218 -13.288
  136   1HB   ARG  19          HB2       ARG  19   2.298   3.208 -12.754
  137   2HB   ARG  19          HB3       ARG  19   1.101   3.365 -11.476
  138   1HG   ARG  19          HG2       ARG  19  -0.371   1.759 -12.581
  139   2HG   ARG  19          HG3       ARG  19   0.781   1.595 -13.932
  140   1HD   ARG  19          HD2       ARG  19   2.276   0.356 -12.837
  141   2HD   ARG  19          HD3       ARG  19   1.792   0.858 -11.230
  142    HE   ARG  19           HE       ARG  19  -0.429  -0.350 -11.855
  143   1HH1  ARG  19          1HH2      ARG  19   2.803  -1.715 -12.062
  144   2HH1  ARG  19          2HH2      ARG  19   2.302  -3.233 -12.666
  145   1HH2  ARG  19          1HH1      ARG  19  -1.118  -2.424 -12.714
  146   2HH2  ARG  19          2HH1      ARG  19   0.105  -3.590 -13.112
  147    H    TRP  20           H        TRP  20   2.497   4.192 -14.829
  148    HA   TRP  20           HA       TRP  20   1.205   3.096 -17.280
  149   1HB   TRP  20          HB2       TRP  20   3.849   4.505 -16.745
  150   2HB   TRP  20          HB3       TRP  20   3.352   3.786 -18.290
  151    HD1  TRP  20           HD1      TRP  20   2.455   6.672 -15.929
  152    HE1  TRP  20           HE1      TRP  20   0.717   8.168 -17.001
  153    HE3  TRP  20           HE3      TRP  20   1.780   4.162 -20.337
  154    HZ2  TRP  20           HZ2      TRP  20  -0.836   8.292 -19.383
  155    HZ3  TRP  20           HZ3      TRP  20   0.158   5.029 -22.028
  156    HH2  TRP  20           HH2      TRP  20  -1.173   7.068 -21.554
  157    H    HIS  21           H        HIS  21   1.817   0.922 -17.645
  158    HA   HIS  21           HA       HIS  21   3.732  -0.259 -15.674
  159   1HB   HIS  21          HB2       HIS  21   1.795  -0.782 -14.643
  160   2HB   HIS  21          HB3       HIS  21   0.833  -0.795 -16.101
  161    HD2  HIS  21           HD2      HIS  21   3.901  -3.118 -15.950
  162    HE1  HIS  21           HE1      HIS  21   0.525  -5.617 -15.367
  163    HE2  HIS  21           HE2      HIS  21   3.017  -5.579 -15.749
  164    H    CYS  22           H        CYS  22   5.266  -1.286 -16.708
  165    HA   CYS  22           HA       CYS  22   5.224  -1.859 -19.536
  166   1HB   CYS  22          HB2       CYS  22   7.048  -1.799 -17.222
  167   2HB   CYS  22          HB3       CYS  22   7.381  -3.142 -18.321
  168    H    THR  23           H        THR  23   4.337  -3.473 -20.440
  169    HA   THR  23           HA       THR  23   3.956  -6.008 -18.911
  170    HB   THR  23           HB       THR  23   2.229  -6.599 -20.685
  171    HG1  THR  23           HG1      THR  23   3.113  -4.316 -21.748
  172   1HG2  THR  23          1HG2      THR  23   1.871  -4.043 -19.161
  173   2HG2  THR  23          2HG2      THR  23   0.549  -5.191 -19.581
  174   3HG2  THR  23          3HG2      THR  23   1.767  -5.659 -18.386
  175    H    VAL  24           H        VAL  24   6.288  -4.955 -20.283
  176    HA   VAL  24           HA       VAL  24   7.316  -7.061 -22.030
  177    HB   VAL  24           HB       VAL  24   7.336  -4.832 -22.862
  178   1HG1  VAL  24          1HG1      VAL  24   6.975  -3.055 -21.770
  179   2HG1  VAL  24          2HG1      VAL  24   7.334  -3.759 -20.220
  180   3HG1  VAL  24          3HG1      VAL  24   8.652  -3.091 -21.122
  181   1HG2  VAL  24          1HG2      VAL  24  10.062  -5.100 -21.536
  182   2HG2  VAL  24          2HG2      VAL  24   9.578  -5.990 -23.010
  183   3HG2  VAL  24          3HG2      VAL  24   9.712  -4.210 -23.022
  184    H    CYS  25           H        CYS  25   8.183  -4.841 -19.372
  185    HA   CYS  25           HA       CYS  25  10.200  -6.521 -18.158
  186   1HB   CYS  25          HB2       CYS  25   8.695  -4.215 -16.952
  187   2HB   CYS  25          HB3       CYS  25  10.322  -4.750 -16.531
  188    H    GLU  26           H        GLU  26   9.903  -7.046 -15.726
  189    HA   GLU  26           HA       GLU  26   7.408  -8.482 -15.320
  190   1HB   GLU  26          HB2       GLU  26  10.099  -8.397 -13.966
  191   2HB   GLU  26          HB3       GLU  26   8.692  -8.841 -12.996
  192   1HG   GLU  26          HG2       GLU  26   8.028 -10.532 -14.592
  193   2HG   GLU  26          HG3       GLU  26   9.401 -10.155 -15.626
  194    H    ASP  27           H        ASP  27   5.885  -6.930 -15.202
  195    HA   ASP  27           HA       ASP  27   4.551  -5.322 -14.375
  196   1HB   ASP  27          HB2       ASP  27   4.208  -7.275 -12.912
  197   2HB   ASP  27          HB3       ASP  27   5.327  -6.604 -11.741
  198    H    TYR  28           H        TYR  28   7.092  -4.362 -14.841
  199    HA   TYR  28           HA       TYR  28   7.974  -2.485 -12.814
  200   1HB   TYR  28          HB2       TYR  28   9.382  -3.326 -14.697
  201   2HB   TYR  28          HB3       TYR  28   8.382  -2.469 -15.836
  202    HD1  TYR  28           HD1      TYR  28  11.350  -2.320 -13.940
  203    HD2  TYR  28           HD2      TYR  28   8.249   0.142 -15.641
  204    HE1  TYR  28           HE1      TYR  28  12.862  -0.361 -13.873
  205    HE2  TYR  28           HE2      TYR  28   9.758   2.092 -15.591
  206    HH   TYR  28           HH       TYR  28  13.116   1.895 -14.333
  207    H    ASP  29           H        ASP  29   7.478  -0.273 -12.628
  208    HA   ASP  29           HA       ASP  29   4.981   0.585 -14.018
  209   1HB   ASP  29          HB2       ASP  29   5.518   1.597 -11.269
  210   2HB   ASP  29          HB3       ASP  29   4.011   1.282 -12.061
  211    H    LEU  30           H        LEU  30   4.669   2.937 -14.025
  212    HA   LEU  30           HA       LEU  30   6.802   4.572 -12.920
  213   1HB   LEU  30          HB2       LEU  30   5.881   4.706 -15.827
  214   2HB   LEU  30          HB3       LEU  30   6.702   5.989 -14.989
  215    HG   LEU  30           HG       LEU  30   7.832   3.203 -15.526
  216   1HD1  LEU  30          1HD1      LEU  30   9.385   4.354 -17.041
  217   2HD1  LEU  30          2HD1      LEU  30   7.712   4.683 -17.517
  218   3HD1  LEU  30          3HD1      LEU  30   8.643   5.929 -16.646
  219   1HD2  LEU  30          1HD2      LEU  30  10.032   4.183 -14.746
  220   2HD2  LEU  30          2HD2      LEU  30   9.142   5.660 -14.288
  221   3HD2  LEU  30          3HD2      LEU  30   8.848   4.142 -13.440
  222    H    CYS  31           H        CYS  31   5.951   6.457 -12.012
  223    HA   CYS  31           HA       CYS  31   3.135   6.985 -12.125
  224   1HB   CYS  31          HB2       CYS  31   3.691   9.053 -11.036
  225   2HB   CYS  31          HB3       CYS  31   4.474   7.747 -10.170
  226    H    ILE  32           H        ILE  32   2.444   9.150 -12.972
  227    HA   ILE  32           HA       ILE  32   2.759   9.206 -15.716
  228    HB   ILE  32           HB       ILE  32   1.858  11.532 -13.992
  229   1HG1  ILE  32          2HG1      ILE  32   0.600   9.763 -13.047
  230   2HG1  ILE  32          3HG1      ILE  32  -0.449  10.556 -14.213
  231   1HG2  ILE  32          1HG2      ILE  32   0.341  11.917 -15.975
  232   2HG2  ILE  32          2HG2      ILE  32   2.082  12.116 -16.288
  233   3HG2  ILE  32          3HG2      ILE  32   1.267  10.664 -16.844
  234   1HD1  ILE  32          1HD1      ILE  32   1.043   7.936 -14.741
  235   2HD1  ILE  32          2HD1      ILE  32  -0.621   8.090 -14.198
  236   3HD1  ILE  32          3HD1      ILE  32  -0.155   8.770 -15.787
  237    H    ASN  33           H        ASN  33   4.264  11.282 -13.291
  238    HA   ASN  33           HA       ASN  33   5.578  13.033 -15.135
  239   1HB   ASN  33          HB2       ASN  33   5.307  13.902 -12.934
  240   2HB   ASN  33          HB3       ASN  33   5.782  12.381 -12.164
  241   1HD2  ASN  33          2HD2      ASN  33   8.000  11.921 -11.732
  242   2HD2  ASN  33          1HD2      ASN  33   9.236  13.139 -11.986
  243    H    CYS  34           H        CYS  34   6.651  10.011 -13.507
  244    HA   CYS  34           HA       CYS  34   9.334  10.176 -14.598
  245   1HB   CYS  34          HB2       CYS  34   7.707   8.004 -13.252
  246   2HB   CYS  34          HB3       CYS  34   9.259   7.656 -14.036
  247    H    TYR  35           H        TYR  35   6.310   8.490 -15.648
  248    HA   TYR  35           HA       TYR  35   7.482   7.248 -17.885
  249   1HB   TYR  35          HB2       TYR  35   5.192   6.762 -17.089
  250   2HB   TYR  35          HB3       TYR  35   4.673   8.362 -17.548
  251    HD1  TYR  35           HD1      TYR  35   6.633   5.533 -19.140
  252    HD2  TYR  35           HD2      TYR  35   3.392   8.352 -19.564
  253    HE1  TYR  35           HE1      TYR  35   6.232   4.712 -21.419
  254    HE2  TYR  35           HE2      TYR  35   2.948   7.490 -21.837
  255    HH   TYR  35           HH       TYR  35   5.002   4.905 -23.297
  256    H    ASN  36           H        ASN  36   6.098  10.494 -17.537
  257    HA   ASN  36           HA       ASN  36   6.428  11.459 -20.154
  258   1HB   ASN  36          HB2       ASN  36   5.980  12.613 -17.419
  259   2HB   ASN  36          HB3       ASN  36   6.638  13.731 -18.568
  260   1HD2  ASN  36          2HD2      ASN  36   3.939  11.490 -18.089
  261   2HD2  ASN  36          1HD2      ASN  36   2.827  12.315 -19.187
  262    H    THR  37           H        THR  37   9.016  10.801 -17.949
  263    HA   THR  37           HA       THR  37  10.799  12.650 -19.504
  264    HB   THR  37           HB       THR  37  12.104  12.775 -17.342
  265    HG1  THR  37           HG1      THR  37   9.697  12.098 -16.072
  266   1HG2  THR  37          1HG2      THR  37   9.297  13.975 -17.267
  267   2HG2  THR  37          2HG2      THR  37  10.700  14.545 -16.320
  268   3HG2  THR  37          3HG2      THR  37  10.713  14.679 -18.077
  269    H    LYS  38           H        LYS  38  10.656   9.677 -17.582
  270    HA   LYS  38           HA       LYS  38  13.263   8.700 -18.263
  271   1HB   LYS  38          HB2       LYS  38  10.853   7.152 -17.275
  272   2HB   LYS  38          HB3       LYS  38  12.543   6.685 -17.113
  273   1HG   LYS  38          HG2       LYS  38  11.340   9.151 -15.747
  274   2HG   LYS  38          HG3       LYS  38  11.409   7.564 -15.013
  275   1HD   LYS  38          HD2       LYS  38  13.866   7.687 -14.996
  276   2HD   LYS  38          HD3       LYS  38  13.816   9.168 -15.955
  277   1HE   LYS  38          HE2       LYS  38  14.186   9.806 -13.673
  278   2HE   LYS  38          HE3       LYS  38  12.584  10.342 -14.140
  279   1HZ   LYS  38          HZ1       LYS  38  12.685   9.284 -11.914
  280   2HZ   LYS  38          HZ2       LYS  38  11.655   8.512 -12.901
  281   3HZ   LYS  38          HZ3       LYS  38  13.160   7.900 -12.603
  282    H    SER  39           H        SER  39  10.621   9.020 -20.296
  283    HA   SER  39           HA       SER  39   9.925   8.067 -22.175
  284   1HB   SER  39          HB2       SER  39  12.931   8.000 -22.633
  285   2HB   SER  39          HB3       SER  39  11.680   8.202 -23.867
  286    HG   SER  39           HG       SER  39  12.404  10.024 -21.796
  287    H    HIS  40           H        HIS  40   9.595   6.003 -20.538
  288    HA   HIS  40           HA       HIS  40  11.013   3.601 -21.242
  289   1HB   HIS  40          HB2       HIS  40   9.105   4.404 -19.314
  290   2HB   HIS  40          HB3       HIS  40   8.268   3.225 -20.308
  291    HD1  HIS  40           HD1      HIS  40  11.270   3.457 -17.907
  292    HD2  HIS  40           HD2      HIS  40   9.249   0.751 -20.380
  293    HE1  HIS  40           HE1      HIS  40  12.120   1.115 -17.266
  294    H    THR  41           H        THR  41  11.080   3.008 -23.247
  295    HA   THR  41           HA       THR  41   9.057   3.782 -25.093
  296    HB   THR  41           HB       THR  41  11.293   2.089 -26.062
  297    HG1  THR  41           HG1      THR  41  11.948   4.368 -24.527
  298   1HG2  THR  41          1HG2      THR  41  10.503   4.990 -26.552
  299   2HG2  THR  41          2HG2      THR  41  11.739   4.072 -27.464
  300   3HG2  THR  41          3HG2      THR  41  10.041   3.609 -27.549
  301    H    HIS  42           H        HIS  42   8.880   1.072 -23.170
  302    HA   HIS  42           HA       HIS  42   8.493  -0.906 -25.265
  303   1HB   HIS  42          HB2       HIS  42   7.983  -1.069 -22.293
  304   2HB   HIS  42          HB3       HIS  42   8.300  -2.389 -23.433
  305    HD2  HIS  42           HD2      HIS  42  11.008  -1.254 -24.768
  306    HE1  HIS  42           HE1      HIS  42  12.499  -1.251 -20.779
  307    HE2  HIS  42           HE2      HIS  42  13.154  -1.175 -23.249
  308    H    LYS  43           H        LYS  43   6.606  -2.491 -24.975
  309    HA   LYS  43           HA       LYS  43   4.165  -0.984 -25.259
  310   1HB   LYS  43          HB2       LYS  43   4.714  -3.088 -26.630
  311   2HB   LYS  43          HB3       LYS  43   4.379  -4.022 -25.192
  312   1HG   LYS  43          HG2       LYS  43   2.164  -2.244 -25.440
  313   2HG   LYS  43          HG3       LYS  43   2.583  -2.615 -27.094
  314   1HD   LYS  43          HD2       LYS  43   0.918  -4.196 -26.418
  315   2HD   LYS  43          HD3       LYS  43   2.437  -5.067 -26.495
  316   1HE   LYS  43          HE2       LYS  43   1.341  -5.790 -24.463
  317   2HE   LYS  43          HE3       LYS  43   2.682  -4.733 -24.007
  318   1HZ   LYS  43          HZ1       LYS  43   0.894  -4.180 -22.718
  319   2HZ   LYS  43          HZ2       LYS  43   1.013  -2.937 -23.719
  320   3HZ   LYS  43          HZ3       LYS  43  -0.186  -4.026 -23.946
  321    H    MET  44           H        MET  44   3.893  -0.012 -23.270
  322    HA   MET  44           HA       MET  44   3.444  -1.571 -20.813
  323   1HB   MET  44          HB2       MET  44   3.313   1.375 -21.689
  324   2HB   MET  44          HB3       MET  44   2.734   0.880 -20.099
  325   1HG   MET  44          HG2       MET  44   4.725   0.142 -19.362
  326   2HG   MET  44          HG3       MET  44   5.467  -0.007 -20.939
  327   1HE   MET  44          HE1       MET  44   6.279   1.191 -17.962
  328   2HE   MET  44          HE2       MET  44   6.257   2.963 -17.797
  329   3HE   MET  44          HE3       MET  44   4.747   2.030 -17.705
  330    H    VAL  45           H        VAL  45   1.368  -0.593 -19.662
  331    HA   VAL  45           HA       VAL  45  -1.098  -0.452 -21.214
  332    HB   VAL  45           HB       VAL  45  -2.107  -1.593 -19.237
  333   1HG1  VAL  45          1HG1      VAL  45  -0.334  -3.464 -20.867
  334   2HG1  VAL  45          2HG1      VAL  45  -1.921  -3.813 -20.126
  335   3HG1  VAL  45          3HG1      VAL  45  -1.842  -2.717 -21.483
  336   1HG2  VAL  45          1HG2      VAL  45   0.705  -2.541 -18.695
  337   2HG2  VAL  45          2HG2      VAL  45  -0.356  -1.499 -17.696
  338   3HG2  VAL  45          3HG2      VAL  45  -0.722  -3.230 -17.961
  339    H    LYS  46           H        LYS  46  -2.660   0.615 -19.290
  340    HA   LYS  46           HA       LYS  46  -1.155   2.444 -17.533
  341   1HB   LYS  46          HB2       LYS  46  -1.340   3.751 -19.558
  342   2HB   LYS  46          HB3       LYS  46  -3.036   3.354 -19.768
  343   1HG   LYS  46          HG2       LYS  46  -2.014   4.911 -17.349
  344   2HG   LYS  46          HG3       LYS  46  -2.404   5.676 -18.892
  345   1HD   LYS  46          HD2       LYS  46  -4.749   4.628 -18.688
  346   2HD   LYS  46          HD3       LYS  46  -4.308   4.279 -17.019
  347   1HE   LYS  46          HE2       LYS  46  -5.595   6.276 -17.061
  348   2HE   LYS  46          HE3       LYS  46  -3.963   6.668 -16.542
  349   1HZ   LYS  46          HZ1       LYS  46  -4.811   7.133 -19.332
  350   2HZ   LYS  46          HZ2       LYS  46  -4.927   8.221 -18.086
  351   3HZ   LYS  46          HZ3       LYS  46  -3.503   7.722 -18.478
  352    H    TRP  47           H        TRP  47  -2.253   2.576 -15.654
  353    HA   TRP  47           HA       TRP  47  -5.058   1.590 -15.547
  354   1HB   TRP  47          HB2       TRP  47  -2.892   1.107 -13.461
  355   2HB   TRP  47          HB3       TRP  47  -4.540   0.452 -13.473
  356    HD1  TRP  47           HD1      TRP  47  -1.087  -0.370 -14.501
  357    HE1  TRP  47           HE1      TRP  47  -0.993  -2.462 -15.944
  358    HE3  TRP  47           HE3      TRP  47  -5.992  -0.639 -15.879
  359    HZ2  TRP  47           HZ2      TRP  47  -2.751  -3.870 -17.795
  360    HZ3  TRP  47           HZ3      TRP  47  -6.665  -2.219 -17.691
  361    HH2  TRP  47           HH2      TRP  47  -5.078  -3.859 -18.595
  362    H    GLY  48           H        GLY  48  -6.220   3.396 -15.000
  363   1HA   GLY  48          HA2       GLY  48  -4.853   5.400 -13.307
  364   2HA   GLY  48          HA3       GLY  48  -5.527   5.913 -14.876
  365    H    LEU  49           H        LEU  49  -6.057   6.568 -12.096
  366    HA   LEU  49           HA       LEU  49  -8.996   6.211 -12.048
  367   1HB   LEU  49          HB2       LEU  49  -7.123   5.430  -9.774
  368   2HB   LEU  49          HB3       LEU  49  -8.835   5.645  -9.546
  369    HG   LEU  49           HG       LEU  49  -7.591   3.607 -11.469
  370   1HD1  LEU  49          1HD1      LEU  49  -9.015   3.266  -8.825
  371   2HD1  LEU  49          2HD1      LEU  49  -8.259   1.978  -9.808
  372   3HD1  LEU  49          3HD1      LEU  49  -7.235   3.222  -9.092
  373   1HD2  LEU  49          1HD2      LEU  49  -9.838   2.679 -11.647
  374   2HD2  LEU  49          2HD2      LEU  49 -10.512   4.003 -10.650
  375   3HD2  LEU  49          3HD2      LEU  49  -9.874   4.291 -12.290
  376    H    GLY  50           H        GLY  50  -6.492   8.453 -11.944
  377   1HA   GLY  50          HA2       GLY  50  -8.306  10.515 -11.221
  378   2HA   GLY  50          HA3       GLY  50  -7.309  10.158  -9.810
  379    H    LEU  51           H        LEU  51  -4.778   9.680 -11.186
  380    HA   LEU  51           HA       LEU  51  -4.123  12.466 -11.544
  381   1HB   LEU  51          HB2       LEU  51  -2.942  10.750 -10.119
  382   2HB   LEU  51          HB3       LEU  51  -2.335   9.999 -11.590
  383    HG   LEU  51           HG       LEU  51  -0.939  11.940 -12.085
  384   1HD1  LEU  51          1HD1      LEU  51  -0.748  13.761 -10.388
  385   2HD1  LEU  51          2HD1      LEU  51  -2.323  13.747 -11.191
  386   3HD1  LEU  51          3HD1      LEU  51  -2.157  13.098  -9.531
  387   1HD2  LEU  51          1HD2      LEU  51  -0.108  10.110 -10.605
  388   2HD2  LEU  51          2HD2      LEU  51   0.580  11.691 -10.121
  389   3HD2  LEU  51          3HD2      LEU  51  -0.762  10.951  -9.216
  390    H    ASP  52           H        ASP  52  -4.796   9.934 -13.804
  391    HA   ASP  52           HA       ASP  52  -4.406  11.500 -16.137
  392   1HB   ASP  52          HB2       ASP  52  -2.126  11.149 -16.274
  393   2HB   ASP  52          HB3       ASP  52  -2.199   9.725 -15.245
  Start of MODEL   17
    1   1H    GLY   1           H1       GLY   1   4.295  -2.260  -9.905
    2   2H    GLY   1           H2       GLY   1   5.477  -3.330  -9.484
    3   3H    GLY   1           H3       GLY   1   4.100  -3.852 -10.205
    4   1HA   GLY   1          HA2       GLY   1   3.926  -4.382  -7.897
    5   2HA   GLY   1          HA3       GLY   1   4.344  -2.701  -7.508
    6    H    GLN   2           H        GLN   2   1.803  -4.394  -6.939
    7    HA   GLN   2           HA       GLN   2  -0.125  -2.343  -7.791
    8   1HB   GLN   2          HB2       GLN   2  -1.620  -3.978  -8.708
    9   2HB   GLN   2          HB3       GLN   2  -0.128  -4.077  -9.586
   10   1HG   GLN   2          HG2       GLN   2  -0.967  -6.024  -7.375
   11   2HG   GLN   2          HG3       GLN   2  -1.115  -6.317  -9.091
   12   1HE2  GLN   2          2HE2      GLN   2   0.952  -6.234 -10.454
   13   2HE2  GLN   2          1HE2      GLN   2   2.418  -6.709  -9.705
   14    H    ASP   3           H        ASP   3  -2.192  -2.730  -6.959
   15    HA   ASP   3           HA       ASP   3  -2.990  -4.208  -4.649
   16   1HB   ASP   3          HB2       ASP   3  -1.954  -2.343  -3.464
   17   2HB   ASP   3          HB3       ASP   3  -2.682  -1.155  -4.561
   18    H    ARG   4           H        ARG   4  -5.480  -3.790  -4.641
   19    HA   ARG   4           HA       ARG   4  -6.405  -3.821  -7.344
   20   1HB   ARG   4          HB2       ARG   4  -8.733  -3.560  -6.247
   21   2HB   ARG   4          HB3       ARG   4  -7.803  -5.025  -6.100
   22   1HG   ARG   4          HG2       ARG   4  -8.865  -4.525  -3.989
   23   2HG   ARG   4          HG3       ARG   4  -7.123  -4.505  -3.829
   24   1HD   ARG   4          HD2       ARG   4  -7.717  -1.823  -4.325
   25   2HD   ARG   4          HD3       ARG   4  -9.074  -2.358  -3.322
   26    HE   ARG   4           HE       ARG   4  -6.226  -2.106  -2.704
   27   1HH1  ARG   4          1HH2      ARG   4  -9.313  -3.069  -1.338
   28   2HH1  ARG   4          2HH2      ARG   4  -8.678  -3.536   0.208
   29   1HH2  ARG   4          1HH1      ARG   4  -5.345  -2.801  -0.901
   30   2HH2  ARG   4          2HH1      ARG   4  -6.223  -3.237   0.542
   31    H    PHE   5           H        PHE   5  -5.778  -0.994  -5.403
   32    HA   PHE   5           HA       PHE   5  -6.610   0.526  -7.753
   33   1HB   PHE   5          HB2       PHE   5  -7.784   2.286  -6.325
   34   2HB   PHE   5          HB3       PHE   5  -8.635   0.811  -6.689
   35    HD1  PHE   5           HD1      PHE   5  -6.102   1.271  -3.898
   36    HD2  PHE   5           HD2      PHE   5 -10.232   0.744  -5.002
   37    HE1  PHE   5           HE1      PHE   5  -6.690   0.919  -1.518
   38    HE2  PHE   5           HE2      PHE   5 -10.827   0.471  -2.602
   39    HZ   PHE   5           HZ       PHE   5  -9.072   0.546  -0.858
   40    H    VAL   6           H        VAL   6  -4.203  -0.126  -5.771
   41    HA   VAL   6           HA       VAL   6  -2.927   2.530  -6.105
   42    HB   VAL   6           HB       VAL   6  -3.373   0.854  -3.647
   43   1HG1  VAL   6          1HG1      VAL   6  -0.951   0.690  -3.802
   44   2HG1  VAL   6          2HG1      VAL   6  -0.837   2.481  -3.986
   45   3HG1  VAL   6          3HG1      VAL   6  -1.424   1.739  -2.483
   46   1HG2  VAL   6          1HG2      VAL   6  -4.473   3.052  -4.056
   47   2HG2  VAL   6          2HG2      VAL   6  -3.495   3.018  -2.571
   48   3HG2  VAL   6          3HG2      VAL   6  -2.868   3.816  -4.029
   49    H    TYR   7           H        TYR   7  -0.608   2.257  -6.359
   50    HA   TYR   7           HA       TYR   7   0.468  -0.377  -7.122
   51   1HB   TYR   7          HB2       TYR   7   0.161   1.971  -9.006
   52   2HB   TYR   7          HB3       TYR   7   0.907   0.397  -9.338
   53    HD1  TYR   7           HD1      TYR   7  -0.495  -1.545  -9.855
   54    HD2  TYR   7           HD2      TYR   7  -2.302   2.226  -8.831
   55    HE1  TYR   7           HE1      TYR   7  -2.729  -2.419 -10.559
   56    HE2  TYR   7           HE2      TYR   7  -4.502   1.325  -9.308
   57    HH   TYR   7           HH       TYR   7  -5.708  -0.500 -10.167
   58    H    THR   8           H        THR   8   2.688   0.708  -8.514
   59    HA   THR   8           HA       THR   8   3.821   2.710  -6.629
   60    HB   THR   8           HB       THR   8   5.987   1.260  -7.313
   61    HG1  THR   8           HG1      THR   8   5.114  -0.342  -8.497
   62   1HG2  THR   8          1HG2      THR   8   5.304   1.637  -5.009
   63   2HG2  THR   8          2HG2      THR   8   4.043   0.388  -5.153
   64   3HG2  THR   8          3HG2      THR   8   5.777  -0.037  -5.233
   65    H    CYS   9           H        CYS   9   5.707   3.855  -7.594
   66    HA   CYS   9           HA       CYS   9   5.666   3.888 -10.602
   67   1HB   CYS   9          HB2       CYS   9   5.477   6.200  -9.761
   68   2HB   CYS   9          HB3       CYS   9   6.808   5.914  -8.623
   69    H    ASN  10           H        ASN  10   7.283   2.277 -11.071
   70    HA   ASN  10           HA       ASN  10   9.087   1.484  -8.990
   71   1HB   ASN  10          HB2       ASN  10   8.126  -0.007 -10.815
   72   2HB   ASN  10          HB3       ASN  10   9.344   0.717 -11.880
   73   1HD2  ASN  10          2HD2      ASN  10  10.877  -0.868 -12.070
   74   2HD2  ASN  10          1HD2      ASN  10  11.625  -1.707 -10.703
   75    H    GLU  11           H        GLU  11   9.132   4.314 -10.724
   76    HA   GLU  11           HA       GLU  11  12.051   4.351 -10.636
   77   1HB   GLU  11          HB2       GLU  11  10.180   5.832 -12.275
   78   2HB   GLU  11          HB3       GLU  11  11.245   6.923 -11.377
   79   1HG   GLU  11          HG2       GLU  11  12.334   4.563 -12.967
   80   2HG   GLU  11          HG3       GLU  11  12.251   6.210 -13.575
   81    H    CYS  12           H        CYS  12   9.196   5.459  -8.936
   82    HA   CYS  12           HA       CYS  12  10.852   7.271  -7.220
   83   1HB   CYS  12          HB2       CYS  12   7.848   6.732  -7.061
   84   2HB   CYS  12          HB3       CYS  12   8.789   7.951  -6.208
   85    H    LYS  13           H        LYS  13   9.432   4.151  -7.351
   86    HA   LYS  13           HA       LYS  13   8.994   2.461  -5.918
   87   1HB   LYS  13          HB2       LYS  13  11.748   3.280  -4.944
   88   2HB   LYS  13          HB3       LYS  13  10.863   1.932  -4.242
   89   1HG   LYS  13          HG2       LYS  13  11.616   0.604  -5.874
   90   2HG   LYS  13          HG3       LYS  13  10.601   1.478  -7.005
   91   1HD   LYS  13          HD2       LYS  13  13.554   1.782  -6.564
   92   2HD   LYS  13          HD3       LYS  13  12.613   1.345  -8.008
   93   1HE   LYS  13          HE2       LYS  13  11.648   3.660  -7.977
   94   2HE   LYS  13          HE3       LYS  13  12.859   4.096  -6.769
   95   1HZ   LYS  13          HZ1       LYS  13  13.576   4.621  -9.014
   96   2HZ   LYS  13          HZ2       LYS  13  14.571   3.471  -8.456
   97   3HZ   LYS  13          HZ3       LYS  13  13.338   3.115  -9.512
   98    H    HIS  14           H        HIS  14   7.564   4.475  -5.619
   99    HA   HIS  14           HA       HIS  14   6.720   4.498  -2.808
  100   1HB   HIS  14          HB2       HIS  14   7.828   6.597  -3.058
  101   2HB   HIS  14          HB3       HIS  14   7.134   6.875  -4.664
  102    HD2  HIS  14           HD2      HIS  14   5.224   8.477  -4.784
  103    HE1  HIS  14           HE1      HIS  14   3.269   7.622  -1.112
  104    HE2  HIS  14           HE2      HIS  14   3.128   8.930  -3.274
  105    H    HIS  15           H        HIS  15   4.401   5.031  -2.720
  106    HA   HIS  15           HA       HIS  15   2.996   3.428  -4.636
  107   1HB   HIS  15          HB2       HIS  15   2.245   4.886  -2.069
  108   2HB   HIS  15          HB3       HIS  15   0.995   4.215  -3.112
  109    HD2  HIS  15           HD2      HIS  15   1.196   1.478  -3.687
  110    HE1  HIS  15           HE1      HIS  15   3.071   0.596   0.022
  111    HE2  HIS  15           HE2      HIS  15   1.886  -0.402  -1.982
  112    H    VAL  16           H        VAL  16   1.291   4.036  -5.979
  113    HA   VAL  16           HA       VAL  16   0.634   6.872  -6.387
  114    HB   VAL  16           HB       VAL  16   1.179   6.765  -8.761
  115   1HG1  VAL  16          1HG1      VAL  16   3.586   6.547  -8.804
  116   2HG1  VAL  16          2HG1      VAL  16   3.097   7.349  -7.311
  117   3HG1  VAL  16          3HG1      VAL  16   3.615   5.639  -7.300
  118   1HG2  VAL  16          1HG2      VAL  16   2.305   4.767  -9.813
  119   2HG2  VAL  16          2HG2      VAL  16   1.966   3.852  -8.334
  120   3HG2  VAL  16          3HG2      VAL  16   0.648   4.454  -9.332
  121    H    GLU  17           H        GLU  17  -1.490   7.046  -7.358
  122    HA   GLU  17           HA       GLU  17  -3.197   4.638  -7.190
  123   1HB   GLU  17          HB2       GLU  17  -5.029   6.155  -7.275
  124   2HB   GLU  17          HB3       GLU  17  -3.848   6.770  -6.116
  125   1HG   GLU  17          HG2       GLU  17  -4.569   7.876  -8.844
  126   2HG   GLU  17          HG3       GLU  17  -4.747   8.701  -7.336
  127    H    THR  18           H        THR  18  -1.704   6.686  -9.578
  128    HA   THR  18           HA       THR  18  -3.021   5.236 -11.822
  129    HB   THR  18           HB       THR  18  -2.064   8.113 -11.675
  130    HG1  THR  18           HG1      THR  18  -3.618   8.164 -10.450
  131   1HG2  THR  18          1HG2      THR  18  -2.583   6.755 -14.027
  132   2HG2  THR  18          2HG2      THR  18  -4.220   7.337 -13.600
  133   3HG2  THR  18          3HG2      THR  18  -2.918   8.477 -13.772
  134    H    ARG  19           H        ARG  19  -1.527   4.313 -13.304
  135    HA   ARG  19           HA       ARG  19   1.263   5.283 -13.349
  136   1HB   ARG  19          HB2       ARG  19   2.300   3.360 -12.672
  137   2HB   ARG  19          HB3       ARG  19   0.973   3.455 -11.541
  138   1HG   ARG  19          HG2       ARG  19  -0.207   1.822 -13.388
  139   2HG   ARG  19          HG3       ARG  19   1.478   1.511 -13.826
  140   1HD   ARG  19          HD2       ARG  19   1.394   1.434 -11.028
  141   2HD   ARG  19          HD3       ARG  19  -0.146   0.691 -11.534
  142    HE   ARG  19           HE       ARG  19   2.600  -0.305 -11.807
  143   1HH1  ARG  19          1HH2      ARG  19  -0.834  -1.277 -12.280
  144   2HH1  ARG  19          2HH2      ARG  19  -0.324  -2.812 -12.898
  145   1HH2  ARG  19          1HH1      ARG  19   3.081  -2.286 -12.294
  146   2HH2  ARG  19          2HH1      ARG  19   1.977  -3.513 -12.697
  147    H    TRP  20           H        TRP  20   2.564   4.238 -14.897
  148    HA   TRP  20           HA       TRP  20   1.281   3.115 -17.335
  149   1HB   TRP  20          HB2       TRP  20   3.903   4.566 -16.807
  150   2HB   TRP  20          HB3       TRP  20   3.428   3.883 -18.377
  151    HD1  TRP  20           HD1      TRP  20   2.517   6.714 -15.953
  152    HE1  TRP  20           HE1      TRP  20   0.690   8.188 -16.917
  153    HE3  TRP  20           HE3      TRP  20   1.763   4.287 -20.393
  154    HZ2  TRP  20           HZ2      TRP  20  -0.904   8.340 -19.304
  155    HZ3  TRP  20           HZ3      TRP  20   0.063   5.136 -22.016
  156    HH2  TRP  20           HH2      TRP  20  -1.316   7.130 -21.430
  157    H    HIS  21           H        HIS  21   1.850   0.986 -17.675
  158    HA   HIS  21           HA       HIS  21   3.846  -0.211 -15.802
  159   1HB   HIS  21          HB2       HIS  21   1.908  -0.634 -14.677
  160   2HB   HIS  21          HB3       HIS  21   0.915  -0.712 -16.107
  161    HD2  HIS  21           HD2      HIS  21   3.928  -3.116 -15.973
  162    HE1  HIS  21           HE1      HIS  21   0.471  -5.423 -15.154
  163    HE2  HIS  21           HE2      HIS  21   2.953  -5.509 -15.686
  164    H    CYS  22           H        CYS  22   5.296  -1.315 -16.797
  165    HA   CYS  22           HA       CYS  22   5.220  -1.920 -19.603
  166   1HB   CYS  22          HB2       CYS  22   7.068  -1.884 -17.304
  167   2HB   CYS  22          HB3       CYS  22   7.378  -3.228 -18.396
  168    H    THR  23           H        THR  23   4.378  -3.556 -20.538
  169    HA   THR  23           HA       THR  23   3.898  -6.057 -18.991
  170    HB   THR  23           HB       THR  23   2.080  -6.645 -20.580
  171    HG1  THR  23           HG1      THR  23   3.003  -4.377 -21.782
  172   1HG2  THR  23          1HG2      THR  23   1.899  -3.962 -19.228
  173   2HG2  THR  23          2HG2      THR  23   0.531  -5.062 -19.607
  174   3HG2  THR  23          3HG2      THR  23   1.718  -5.514 -18.387
  175    H    VAL  24           H        VAL  24   6.224  -5.034 -20.387
  176    HA   VAL  24           HA       VAL  24   7.206  -7.128 -22.179
  177    HB   VAL  24           HB       VAL  24   7.194  -4.893 -22.986
  178   1HG1  VAL  24          1HG1      VAL  24   7.305  -3.885 -20.331
  179   2HG1  VAL  24          2HG1      VAL  24   8.575  -3.175 -21.295
  180   3HG1  VAL  24          3HG1      VAL  24   6.867  -3.147 -21.848
  181   1HG2  VAL  24          1HG2      VAL  24   9.580  -4.255 -23.198
  182   2HG2  VAL  24          2HG2      VAL  24   9.987  -5.217 -21.774
  183   3HG2  VAL  24          3HG2      VAL  24   9.420  -6.031 -23.248
  184    H    CYS  25           H        CYS  25   8.173  -4.951 -19.523
  185    HA   CYS  25           HA       CYS  25  10.213  -6.668 -18.415
  186   1HB   CYS  25          HB2       CYS  25   8.797  -4.286 -17.131
  187   2HB   CYS  25          HB3       CYS  25  10.415  -4.882 -16.768
  188    H    GLU  26           H        GLU  26  10.028  -7.094 -15.946
  189    HA   GLU  26           HA       GLU  26   7.593  -8.617 -15.372
  190   1HB   GLU  26          HB2       GLU  26  10.327  -8.376 -14.175
  191   2HB   GLU  26          HB3       GLU  26   8.998  -8.802 -13.086
  192   1HG   GLU  26          HG2       GLU  26   8.302 -10.618 -14.576
  193   2HG   GLU  26          HG3       GLU  26   9.666 -10.269 -15.649
  194    H    ASP  27           H        ASP  27   6.057  -7.012 -15.344
  195    HA   ASP  27           HA       ASP  27   4.700  -5.415 -14.477
  196   1HB   ASP  27          HB2       ASP  27   4.454  -7.424 -12.984
  197   2HB   ASP  27          HB3       ASP  27   5.593  -6.687 -11.882
  198    H    TYR  28           H        TYR  28   7.168  -4.331 -15.042
  199    HA   TYR  28           HA       TYR  28   8.048  -2.530 -12.955
  200   1HB   TYR  28          HB2       TYR  28   9.446  -3.342 -14.884
  201   2HB   TYR  28          HB3       TYR  28   8.478  -2.373 -15.986
  202    HD1  TYR  28           HD1      TYR  28  11.382  -2.333 -13.865
  203    HD2  TYR  28           HD2      TYR  28   8.368   0.147 -15.690
  204    HE1  TYR  28           HE1      TYR  28  12.746  -0.310 -13.379
  205    HE2  TYR  28           HE2      TYR  28   9.713   2.134 -15.236
  206    HH   TYR  28           HH       TYR  28  11.482   2.976 -13.954
  207    H    ASP  29           H        ASP  29   7.563  -0.300 -12.722
  208    HA   ASP  29           HA       ASP  29   5.055   0.608 -14.092
  209   1HB   ASP  29          HB2       ASP  29   5.679   1.555 -11.319
  210   2HB   ASP  29          HB3       ASP  29   4.152   1.283 -12.097
  211    H    LEU  30           H        LEU  30   4.752   2.921 -14.069
  212    HA   LEU  30           HA       LEU  30   6.847   4.627 -12.966
  213   1HB   LEU  30          HB2       LEU  30   5.953   4.668 -15.894
  214   2HB   LEU  30          HB3       LEU  30   6.708   6.005 -15.067
  215    HG   LEU  30           HG       LEU  30   7.942   3.258 -15.627
  216   1HD1  LEU  30          1HD1      LEU  30   9.464   4.401 -17.092
  217   2HD1  LEU  30          2HD1      LEU  30   7.802   4.726 -17.592
  218   3HD1  LEU  30          3HD1      LEU  30   8.762   5.973 -16.726
  219   1HD2  LEU  30          1HD2      LEU  30   8.951   4.167 -13.492
  220   2HD2  LEU  30          2HD2      LEU  30  10.120   4.342 -14.804
  221   3HD2  LEU  30          3HD2      LEU  30   9.133   5.727 -14.286
  222    H    CYS  31           H        CYS  31   5.890   6.433 -12.003
  223    HA   CYS  31           HA       CYS  31   3.064   6.913 -12.315
  224   1HB   CYS  31          HB2       CYS  31   3.505   8.981 -11.165
  225   2HB   CYS  31          HB3       CYS  31   4.288   7.694 -10.272
  226    H    ILE  32           H        ILE  32   2.389   9.124 -13.080
  227    HA   ILE  32           HA       ILE  32   2.760   9.240 -15.797
  228    HB   ILE  32           HB       ILE  32   1.929  11.608 -14.062
  229   1HG1  ILE  32          2HG1      ILE  32   0.617   9.870 -13.127
  230   2HG1  ILE  32          3HG1      ILE  32  -0.408  10.794 -14.241
  231   1HG2  ILE  32          1HG2      ILE  32   2.220  12.167 -16.311
  232   2HG2  ILE  32          2HG2      ILE  32   1.287  10.756 -16.911
  233   3HG2  ILE  32          3HG2      ILE  32   0.463  12.079 -16.052
  234   1HD1  ILE  32          1HD1      ILE  32   0.877   8.103 -14.854
  235   2HD1  ILE  32          2HD1      ILE  32  -0.783   8.330 -14.356
  236   3HD1  ILE  32          3HD1      ILE  32  -0.243   9.054 -15.891
  237    H    ASN  33           H        ASN  33   4.345  11.199 -13.321
  238    HA   ASN  33           HA       ASN  33   5.684  12.991 -15.110
  239   1HB   ASN  33          HB2       ASN  33   5.503  13.696 -12.800
  240   2HB   ASN  33          HB3       ASN  33   6.089  12.147 -12.204
  241   1HD2  ASN  33          2HD2      ASN  33   8.418  11.723 -12.169
  242   2HD2  ASN  33          1HD2      ASN  33   9.516  13.077 -12.372
  243    H    CYS  34           H        CYS  34   6.756   9.991 -13.503
  244    HA   CYS  34           HA       CYS  34   9.392  10.086 -14.654
  245   1HB   CYS  34          HB2       CYS  34   7.810   7.871 -13.325
  246   2HB   CYS  34          HB3       CYS  34   9.436   7.688 -14.023
  247    H    TYR  35           H        TYR  35   6.352   8.460 -15.646
  248    HA   TYR  35           HA       TYR  35   7.448   7.171 -17.910
  249   1HB   TYR  35          HB2       TYR  35   5.179   6.751 -17.170
  250   2HB   TYR  35          HB3       TYR  35   4.687   8.394 -17.588
  251    HD1  TYR  35           HD1      TYR  35   6.507   5.521 -19.200
  252    HD2  TYR  35           HD2      TYR  35   3.417   8.505 -19.628
  253    HE1  TYR  35           HE1      TYR  35   6.031   4.689 -21.486
  254    HE2  TYR  35           HE2      TYR  35   2.925   7.668 -21.884
  255    HH   TYR  35           HH       TYR  35   4.795   4.989 -23.385
  256    H    ASN  36           H        ASN  36   6.170  10.478 -17.560
  257    HA   ASN  36           HA       ASN  36   6.636  11.419 -20.158
  258   1HB   ASN  36          HB2       ASN  36   5.965  12.606 -17.489
  259   2HB   ASN  36          HB3       ASN  36   6.744  13.712 -18.542
  260   1HD2  ASN  36          2HD2      ASN  36   3.991  11.478 -18.404
  261   2HD2  ASN  36          1HD2      ASN  36   3.027  12.344 -19.606
  262    H    THR  37           H        THR  37   9.044  10.865 -17.670
  263    HA   THR  37           HA       THR  37  10.966  12.586 -19.189
  264    HB   THR  37           HB       THR  37  12.023  13.110 -17.026
  265    HG1  THR  37           HG1      THR  37   9.614  12.224 -15.872
  266   1HG2  THR  37          1HG2      THR  37   9.115  14.032 -17.158
  267   2HG2  THR  37          2HG2      THR  37  10.490  14.811 -16.313
  268   3HG2  THR  37          3HG2      THR  37  10.464  14.740 -18.071
  269    H    LYS  38           H        LYS  38  10.320   9.422 -18.446
  270    HA   LYS  38           HA       LYS  38  13.230   8.736 -18.437
  271   1HB   LYS  38          HB2       LYS  38  11.011   7.061 -17.253
  272   2HB   LYS  38          HB3       LYS  38  12.745   6.809 -17.104
  273   1HG   LYS  38          HG2       LYS  38  11.373   9.256 -15.899
  274   2HG   LYS  38          HG3       LYS  38  11.476   7.698 -15.072
  275   1HD   LYS  38          HD2       LYS  38  13.907   7.866 -14.984
  276   2HD   LYS  38          HD3       LYS  38  13.878   9.267 -16.071
  277   1HE   LYS  38          HE2       LYS  38  14.176  10.062 -13.812
  278   2HE   LYS  38          HE3       LYS  38  12.596  10.576 -14.402
  279   1HZ   LYS  38          HZ1       LYS  38  12.621   9.732 -12.097
  280   2HZ   LYS  38          HZ2       LYS  38  11.580   8.884 -13.036
  281   3HZ   LYS  38          HZ3       LYS  38  13.077   8.282 -12.628
  282    H    SER  39           H        SER  39  10.934   9.034 -20.606
  283    HA   SER  39           HA       SER  39  10.103   7.893 -22.367
  284   1HB   SER  39          HB2       SER  39  13.108   7.793 -22.807
  285   2HB   SER  39          HB3       SER  39  11.868   7.861 -24.048
  286    HG   SER  39           HG       SER  39  12.774   9.946 -23.530
  287    H    HIS  40           H        HIS  40   9.717   5.914 -20.667
  288    HA   HIS  40           HA       HIS  40  11.040   3.438 -21.404
  289   1HB   HIS  40          HB2       HIS  40   9.254   4.322 -19.382
  290   2HB   HIS  40          HB3       HIS  40   8.351   3.146 -20.328
  291    HD1  HIS  40           HD1      HIS  40  11.297   3.305 -17.908
  292    HD2  HIS  40           HD2      HIS  40   9.321   0.653 -20.483
  293    HE1  HIS  40           HE1      HIS  40  11.991   0.957 -17.182
  294    H    THR  41           H        THR  41  10.944   2.805 -23.425
  295    HA   THR  41           HA       THR  41   8.839   3.751 -25.145
  296    HB   THR  41           HB       THR  41  11.017   2.046 -26.255
  297    HG1  THR  41           HG1      THR  41  11.711   4.325 -24.719
  298   1HG2  THR  41          1HG2      THR  41   9.640   3.540 -27.633
  299   2HG2  THR  41          2HG2      THR  41  10.257   4.962 -26.758
  300   3HG2  THR  41          3HG2      THR  41  11.365   3.962 -27.731
  301    H    HIS  42           H        HIS  42   8.934   0.966 -23.300
  302    HA   HIS  42           HA       HIS  42   8.421  -0.970 -25.380
  303   1HB   HIS  42          HB2       HIS  42   7.969  -1.183 -22.400
  304   2HB   HIS  42          HB3       HIS  42   8.267  -2.495 -23.556
  305    HD2  HIS  42           HD2      HIS  42  10.969  -1.349 -24.931
  306    HE1  HIS  42           HE1      HIS  42  12.479  -1.297 -20.942
  307    HE2  HIS  42           HE2      HIS  42  13.109  -1.231 -23.420
  308    H    LYS  43           H        LYS  43   6.477  -2.525 -25.043
  309    HA   LYS  43           HA       LYS  43   4.083  -0.916 -25.228
  310   1HB   LYS  43          HB2       LYS  43   4.536  -2.931 -26.666
  311   2HB   LYS  43          HB3       LYS  43   4.182  -3.949 -25.292
  312   1HG   LYS  43          HG2       LYS  43   2.015  -2.088 -25.359
  313   2HG   LYS  43          HG3       LYS  43   2.381  -2.361 -27.047
  314   1HD   LYS  43          HD2       LYS  43   0.660  -3.875 -26.427
  315   2HD   LYS  43          HD3       LYS  43   2.121  -4.845 -26.636
  316   1HE   LYS  43          HE2       LYS  43   1.125  -5.668 -24.639
  317   2HE   LYS  43          HE3       LYS  43   2.499  -4.710 -24.147
  318   1HZ   LYS  43          HZ1       LYS  43   0.752  -4.185 -22.747
  319   2HZ   LYS  43          HZ2       LYS  43   0.926  -2.868 -23.651
  320   3HZ   LYS  43          HZ3       LYS  43  -0.329  -3.907 -23.956
  321    H    MET  44           H        MET  44   3.820  -0.013 -23.301
  322    HA   MET  44           HA       MET  44   3.404  -1.554 -20.840
  323   1HB   MET  44          HB2       MET  44   3.359   1.367 -21.743
  324   2HB   MET  44          HB3       MET  44   2.825   0.905 -20.106
  325   1HG   MET  44          HG2       MET  44   4.824   0.078 -19.453
  326   2HG   MET  44          HG3       MET  44   5.491  -0.095 -21.056
  327   1HE   MET  44          HE1       MET  44   4.756   2.042 -17.920
  328   2HE   MET  44          HE2       MET  44   6.271   1.152 -17.999
  329   3HE   MET  44          HE3       MET  44   6.328   2.907 -17.922
  330    H    VAL  45           H        VAL  45   1.375  -0.472 -19.670
  331    HA   VAL  45           HA       VAL  45  -1.121  -0.289 -21.145
  332    HB   VAL  45           HB       VAL  45  -2.090  -1.498 -19.219
  333   1HG1  VAL  45          1HG1      VAL  45  -1.794  -2.580 -21.468
  334   2HG1  VAL  45          2HG1      VAL  45  -0.264  -3.306 -20.877
  335   3HG1  VAL  45          3HG1      VAL  45  -1.830  -3.718 -20.130
  336   1HG2  VAL  45          1HG2      VAL  45   0.712  -2.437 -18.646
  337   2HG2  VAL  45          2HG2      VAL  45  -0.356  -1.459 -17.612
  338   3HG2  VAL  45          3HG2      VAL  45  -0.727  -3.169 -17.980
  339    H    LYS  46           H        LYS  46  -2.631   0.659 -19.188
  340    HA   LYS  46           HA       LYS  46  -1.120   2.461 -17.448
  341   1HB   LYS  46          HB2       LYS  46  -1.370   3.814 -19.445
  342   2HB   LYS  46          HB3       LYS  46  -3.071   3.423 -19.604
  343   1HG   LYS  46          HG2       LYS  46  -1.972   4.977 -17.222
  344   2HG   LYS  46          HG3       LYS  46  -2.477   5.710 -18.737
  345   1HD   LYS  46          HD2       LYS  46  -4.768   4.512 -18.341
  346   2HD   LYS  46          HD3       LYS  46  -4.205   4.330 -16.673
  347   1HE   LYS  46          HE2       LYS  46  -5.698   6.210 -16.916
  348   2HE   LYS  46          HE3       LYS  46  -4.095   6.701 -16.357
  349   1HZ   LYS  46          HZ1       LYS  46  -3.647   7.744 -18.281
  350   2HZ   LYS  46          HZ2       LYS  46  -4.799   6.976 -19.219
  351   3HZ   LYS  46          HZ3       LYS  46  -5.118   8.104 -18.046
  352    H    TRP  47           H        TRP  47  -2.194   2.570 -15.531
  353    HA   TRP  47           HA       TRP  47  -5.030   1.634 -15.473
  354   1HB   TRP  47          HB2       TRP  47  -2.938   0.963 -13.366
  355   2HB   TRP  47          HB3       TRP  47  -4.612   0.397 -13.446
  356    HD1  TRP  47           HD1      TRP  47  -1.164  -0.478 -14.422
  357    HE1  TRP  47           HE1      TRP  47  -1.053  -2.517 -15.925
  358    HE3  TRP  47           HE3      TRP  47  -6.079  -0.671 -15.882
  359    HZ2  TRP  47           HZ2      TRP  47  -2.771  -3.836 -17.841
  360    HZ3  TRP  47           HZ3      TRP  47  -6.701  -2.164 -17.767
  361    HH2  TRP  47           HH2      TRP  47  -5.105  -3.801 -18.668
  362    H    GLY  48           H        GLY  48  -6.153   3.372 -14.790
  363   1HA   GLY  48          HA2       GLY  48  -4.772   5.366 -13.071
  364   2HA   GLY  48          HA3       GLY  48  -5.642   5.847 -14.539
  365    H    LEU  49           H        LEU  49  -5.815   5.851 -11.412
  366    HA   LEU  49           HA       LEU  49  -8.747   5.522 -11.324
  367   1HB   LEU  49          HB2       LEU  49  -6.753   4.347  -9.344
  368   2HB   LEU  49          HB3       LEU  49  -8.439   4.541  -8.965
  369    HG   LEU  49           HG       LEU  49  -7.476   2.976 -11.399
  370   1HD1  LEU  49          1HD1      LEU  49  -7.893   0.987 -10.129
  371   2HD1  LEU  49          2HD1      LEU  49  -6.689   2.031  -9.321
  372   3HD1  LEU  49          3HD1      LEU  49  -8.381   1.967  -8.714
  373   1HD2  LEU  49          1HD2      LEU  49  -9.814   2.000 -11.198
  374   2HD2  LEU  49          2HD2      LEU  49 -10.203   3.267 -10.022
  375   3HD2  LEU  49          3HD2      LEU  49  -9.802   3.699 -11.692
  376    H    GLY  50           H        GLY  50  -6.530   7.870 -11.263
  377   1HA   GLY  50          HA2       GLY  50  -8.345   9.554  -9.832
  378   2HA   GLY  50          HA3       GLY  50  -6.986   9.150  -8.805
  379    H    LEU  51           H        LEU  51  -5.309   9.342 -11.692
  380    HA   LEU  51           HA       LEU  51  -5.273  12.326 -11.539
  381   1HB   LEU  51          HB2       LEU  51  -3.649  10.810 -10.031
  382   2HB   LEU  51          HB3       LEU  51  -2.704  10.791 -11.519
  383    HG   LEU  51           HG       LEU  51  -2.737  13.375 -11.448
  384   1HD1  LEU  51          1HD1      LEU  51  -3.871  12.840  -8.664
  385   2HD1  LEU  51          2HD1      LEU  51  -3.244  14.416  -9.264
  386   3HD1  LEU  51          3HD1      LEU  51  -4.695  13.703  -9.977
  387   1HD2  LEU  51          1HD2      LEU  51  -1.572  11.839  -9.081
  388   2HD2  LEU  51          2HD2      LEU  51  -0.832  12.024 -10.670
  389   3HD2  LEU  51          3HD2      LEU  51  -1.037  13.455  -9.642
  390    H    ASP  52           H        ASP  52  -5.347   9.784 -13.754
  391    HA   ASP  52           HA       ASP  52  -4.988  11.440 -15.985
  392   1HB   ASP  52          HB2       ASP  52  -2.768  11.341 -16.279
  393   2HB   ASP  52          HB3       ASP  52  -2.531  10.153 -15.035
  Start of MODEL   18
    1   1H    GLY   1           H1       GLY   1   5.225  -3.434  -9.622
    2   2H    GLY   1           H2       GLY   1   3.836  -3.706 -10.454
    3   3H    GLY   1           H3       GLY   1   4.227  -2.183  -9.989
    4   1HA   GLY   1          HA2       GLY   1   3.494  -4.432  -8.257
    5   2HA   GLY   1          HA3       GLY   1   4.011  -2.828  -7.659
    6    H    GLN   2           H        GLN   2   1.312  -4.406  -7.509
    7    HA   GLN   2           HA       GLN   2  -0.365  -2.072  -8.045
    8   1HB   GLN   2          HB2       GLN   2  -1.990  -3.325  -9.372
    9   2HB   GLN   2          HB3       GLN   2  -0.448  -3.183 -10.142
   10   1HG   GLN   2          HG2       GLN   2  -0.168  -5.679  -8.962
   11   2HG   GLN   2          HG3       GLN   2  -1.904  -5.619  -9.230
   12   1HE2  GLN   2          2HE2      GLN   2   1.267  -5.848 -10.760
   13   2HE2  GLN   2          1HE2      GLN   2   0.728  -5.931 -12.384
   14    H    ASP   3           H        ASP   3  -2.492  -2.274  -7.164
   15    HA   ASP   3           HA       ASP   3  -2.878  -4.122  -4.885
   16   1HB   ASP   3          HB2       ASP   3  -1.639  -1.951  -4.205
   17   2HB   ASP   3          HB3       ASP   3  -3.144  -1.110  -4.681
   18    H    ARG   4           H        ARG   4  -5.248  -2.540  -4.043
   19    HA   ARG   4           HA       ARG   4  -7.176  -3.475  -6.033
   20   1HB   ARG   4          HB2       ARG   4  -7.653  -1.678  -3.606
   21   2HB   ARG   4          HB3       ARG   4  -8.858  -2.448  -4.590
   22   1HG   ARG   4          HG2       ARG   4  -8.907  -3.984  -3.006
   23   2HG   ARG   4          HG3       ARG   4  -7.520  -4.693  -3.819
   24   1HD   ARG   4          HD2       ARG   4  -6.974  -2.562  -1.734
   25   2HD   ARG   4          HD3       ARG   4  -7.621  -4.084  -1.131
   26    HE   ARG   4           HE       ARG   4  -4.988  -3.511  -2.073
   27   1HH1  ARG   4          1HH2      ARG   4  -7.251  -6.182  -1.675
   28   2HH1  ARG   4          2HH2      ARG   4  -6.013  -7.404  -1.528
   29   1HH2  ARG   4          1HH1      ARG   4  -3.427  -5.014  -1.892
   30   2HH2  ARG   4          2HH1      ARG   4  -3.730  -6.718  -1.704
   31    H    PHE   5           H        PHE   5  -6.042  -0.282  -4.872
   32    HA   PHE   5           HA       PHE   5  -6.697   0.895  -7.495
   33   1HB   PHE   5          HB2       PHE   5  -7.861   2.828  -6.398
   34   2HB   PHE   5          HB3       PHE   5  -8.718   1.319  -6.272
   35    HD1  PHE   5           HD1      PHE   5  -9.240   0.321  -4.137
   36    HD2  PHE   5           HD2      PHE   5  -6.657   3.759  -4.359
   37    HE1  PHE   5           HE1      PHE   5  -9.426   0.631  -1.667
   38    HE2  PHE   5           HE2      PHE   5  -6.800   4.015  -1.881
   39    HZ   PHE   5           HZ       PHE   5  -8.243   2.506  -0.552
   40    H    VAL   6           H        VAL   6  -4.353   0.180  -5.715
   41    HA   VAL   6           HA       VAL   6  -2.900   2.725  -5.863
   42    HB   VAL   6           HB       VAL   6  -3.339   0.842  -3.559
   43   1HG1  VAL   6          1HG1      VAL   6  -0.629   2.179  -3.945
   44   2HG1  VAL   6          2HG1      VAL   6  -1.204   1.401  -2.459
   45   3HG1  VAL   6          3HG1      VAL   6  -0.949   0.434  -3.918
   46   1HG2  VAL   6          1HG2      VAL   6  -3.173   2.931  -2.298
   47   2HG2  VAL   6          2HG2      VAL   6  -2.571   3.785  -3.731
   48   3HG2  VAL   6          3HG2      VAL   6  -4.242   3.174  -3.701
   49    H    TYR   7           H        TYR   7  -0.692   2.377  -6.263
   50    HA   TYR   7           HA       TYR   7   0.209  -0.099  -7.527
   51   1HB   TYR   7          HB2       TYR   7  -0.183   2.629  -8.837
   52   2HB   TYR   7          HB3       TYR   7   0.637   1.300  -9.611
   53    HD1  TYR   7           HD1      TYR   7  -0.871  -0.886 -10.020
   54    HD2  TYR   7           HD2      TYR   7  -2.476   2.872  -8.723
   55    HE1  TYR   7           HE1      TYR   7  -3.142  -1.617 -10.734
   56    HE2  TYR   7           HE2      TYR   7  -4.719   2.084  -9.137
   57    HH   TYR   7           HH       TYR   7  -6.015   0.403 -10.117
   58    H    THR   8           H        THR   8   2.545   0.767  -8.636
   59    HA   THR   8           HA       THR   8   3.801   2.706  -6.751
   60    HB   THR   8           HB       THR   8   5.880   1.142  -7.458
   61    HG1  THR   8           HG1      THR   8   4.892  -0.389  -8.603
   62   1HG2  THR   8          1HG2      THR   8   5.512  -0.160  -5.362
   63   2HG2  THR   8          2HG2      THR   8   5.377   1.583  -5.181
   64   3HG2  THR   8          3HG2      THR   8   3.894   0.599  -5.238
   65    H    CYS   9           H        CYS   9   5.805   3.612  -7.762
   66    HA   CYS   9           HA       CYS   9   5.684   3.755 -10.734
   67   1HB   CYS   9          HB2       CYS   9   5.510   6.059  -9.830
   68   2HB   CYS   9          HB3       CYS   9   6.857   5.749  -8.713
   69    H    ASN  10           H        ASN  10   7.298   2.069 -11.179
   70    HA   ASN  10           HA       ASN  10   9.100   1.311  -9.095
   71   1HB   ASN  10          HB2       ASN  10   8.180  -0.223 -10.900
   72   2HB   ASN  10          HB3       ASN  10   9.328   0.535 -12.013
   73   1HD2  ASN  10          2HD2      ASN  10  10.966  -0.991 -12.227
   74   2HD2  ASN  10          1HD2      ASN  10  11.751  -1.817 -10.868
   75    H    GLU  11           H        GLU  11   9.145   4.119 -10.870
   76    HA   GLU  11           HA       GLU  11  12.065   4.175 -10.817
   77   1HB   GLU  11          HB2       GLU  11  10.141   5.651 -12.424
   78   2HB   GLU  11          HB3       GLU  11  11.282   6.697 -11.612
   79   1HG   GLU  11          HG2       GLU  11  12.166   4.214 -13.161
   80   2HG   GLU  11          HG3       GLU  11  12.167   5.835 -13.847
   81    H    CYS  12           H        CYS  12   9.270   5.278  -9.060
   82    HA   CYS  12           HA       CYS  12  10.991   7.015  -7.337
   83   1HB   CYS  12          HB2       CYS  12   7.987   6.615  -7.213
   84   2HB   CYS  12          HB3       CYS  12   8.951   7.801  -6.317
   85    H    LYS  13           H        LYS  13   9.487   3.937  -7.550
   86    HA   LYS  13           HA       LYS  13   9.020   2.225  -6.197
   87   1HB   LYS  13          HB2       LYS  13  11.759   3.018  -5.111
   88   2HB   LYS  13          HB3       LYS  13  10.884   1.629  -4.477
   89   1HG   LYS  13          HG2       LYS  13  11.711   0.385  -6.080
   90   2HG   LYS  13          HG3       LYS  13  10.656   1.219  -7.212
   91   1HD   LYS  13          HD2       LYS  13  13.624   1.600  -6.791
   92   2HD   LYS  13          HD3       LYS  13  12.703   1.175  -8.238
   93   1HE   LYS  13          HE2       LYS  13  11.695   3.478  -8.134
   94   2HE   LYS  13          HE3       LYS  13  12.934   3.901  -6.942
   95   1HZ   LYS  13          HZ1       LYS  13  14.601   3.331  -8.710
   96   2HZ   LYS  13          HZ2       LYS  13  13.336   3.049  -9.736
   97   3HZ   LYS  13          HZ3       LYS  13  13.570   4.514  -9.149
   98    H    HIS  14           H        HIS  14   7.698   4.402  -5.830
   99    HA   HIS  14           HA       HIS  14   6.819   4.209  -3.016
  100   1HB   HIS  14          HB2       HIS  14   8.052   6.342  -3.248
  101   2HB   HIS  14          HB3       HIS  14   7.117   6.745  -4.689
  102    HD2  HIS  14           HD2      HIS  14   5.186   8.406  -4.174
  103    HE1  HIS  14           HE1      HIS  14   4.004   6.957  -0.349
  104    HE2  HIS  14           HE2      HIS  14   3.470   8.636  -2.216
  105    H    HIS  15           H        HIS  15   4.577   4.876  -2.856
  106    HA   HIS  15           HA       HIS  15   3.047   3.468  -4.841
  107   1HB   HIS  15          HB2       HIS  15   2.371   4.784  -2.177
  108   2HB   HIS  15          HB3       HIS  15   1.116   4.145  -3.228
  109    HD2  HIS  15           HD2      HIS  15   1.415   1.418  -3.914
  110    HE1  HIS  15           HE1      HIS  15   3.320   0.462  -0.240
  111    HE2  HIS  15           HE2      HIS  15   2.110  -0.492  -2.273
  112    H    VAL  16           H        VAL  16   1.311   4.204  -6.017
  113    HA   VAL  16           HA       VAL  16   0.768   7.046  -6.357
  114    HB   VAL  16           HB       VAL  16   1.227   6.972  -8.709
  115   1HG1  VAL  16          1HG1      VAL  16   3.275   7.276  -7.390
  116   2HG1  VAL  16          2HG1      VAL  16   3.607   5.539  -7.438
  117   3HG1  VAL  16          3HG1      VAL  16   3.582   6.450  -8.935
  118   1HG2  VAL  16          1HG2      VAL  16   2.047   4.974  -9.926
  119   2HG2  VAL  16          2HG2      VAL  16   1.766   3.958  -8.498
  120   3HG2  VAL  16          3HG2      VAL  16   0.418   4.743  -9.355
  121    H    GLU  17           H        GLU  17  -1.363   7.186  -7.738
  122    HA   GLU  17           HA       GLU  17  -3.146   4.856  -7.144
  123   1HB   GLU  17          HB2       GLU  17  -4.893   6.736  -7.621
  124   2HB   GLU  17          HB3       GLU  17  -4.118   6.597  -6.042
  125   1HG   GLU  17          HG2       GLU  17  -4.321   8.966  -6.811
  126   2HG   GLU  17          HG3       GLU  17  -2.641   8.461  -6.508
  127    H    THR  18           H        THR  18  -1.658   6.719  -9.625
  128    HA   THR  18           HA       THR  18  -3.069   5.163 -11.722
  129    HB   THR  18           HB       THR  18  -2.334   8.123 -11.606
  130    HG1  THR  18           HG1      THR  18  -4.180   7.995 -10.619
  131   1HG2  THR  18          1HG2      THR  18  -2.416   6.816 -13.997
  132   2HG2  THR  18          2HG2      THR  18  -4.122   7.274 -13.805
  133   3HG2  THR  18          3HG2      THR  18  -2.880   8.507 -13.718
  134    H    ARG  19           H        ARG  19  -1.562   4.240 -13.162
  135    HA   ARG  19           HA       ARG  19   1.183   5.290 -13.245
  136   1HB   ARG  19          HB2       ARG  19   2.296   3.242 -12.753
  137   2HB   ARG  19          HB3       ARG  19   1.153   3.465 -11.419
  138   1HG   ARG  19          HG2       ARG  19  -0.380   1.873 -12.398
  139   2HG   ARG  19          HG3       ARG  19   0.652   1.673 -13.832
  140   1HD   ARG  19          HD2       ARG  19   2.208   0.353 -12.840
  141   2HD   ARG  19          HD3       ARG  19   1.723   0.780 -11.195
  142    HE   ARG  19           HE       ARG  19  -0.569  -0.196 -12.008
  143   1HH1  ARG  19          1HH2      ARG  19   2.587  -1.817 -12.176
  144   2HH1  ARG  19          2HH2      ARG  19   1.940  -3.319 -12.653
  145   1HH2  ARG  19          1HH1      ARG  19  -1.423  -2.187 -12.729
  146   2HH2  ARG  19          2HH1      ARG  19  -0.419  -3.564 -12.851
  147    H    TRP  20           H        TRP  20   2.442   4.187 -14.801
  148    HA   TRP  20           HA       TRP  20   1.121   3.064 -17.240
  149   1HB   TRP  20          HB2       TRP  20   3.761   4.514 -16.761
  150   2HB   TRP  20          HB3       TRP  20   3.252   3.758 -18.296
  151    HD1  TRP  20           HD1      TRP  20   2.335   6.657 -15.960
  152    HE1  TRP  20           HE1      TRP  20   0.515   8.097 -16.995
  153    HE3  TRP  20           HE3      TRP  20   1.624   4.069 -20.301
  154    HZ2  TRP  20           HZ2      TRP  20  -1.026   8.182 -19.403
  155    HZ3  TRP  20           HZ3      TRP  20  -0.026   4.871 -21.982
  156    HH2  TRP  20           HH2      TRP  20  -1.397   6.896 -21.510
  157    H    HIS  21           H        HIS  21   1.890   0.955 -17.709
  158    HA   HIS  21           HA       HIS  21   3.796  -0.258 -15.775
  159   1HB   HIS  21          HB2       HIS  21   1.870  -0.789 -14.695
  160   2HB   HIS  21          HB3       HIS  21   0.902  -0.806 -16.151
  161    HD2  HIS  21           HD2      HIS  21   3.951  -3.167 -16.135
  162    HE1  HIS  21           HE1      HIS  21   0.557  -5.602 -15.409
  163    HE2  HIS  21           HE2      HIS  21   3.027  -5.601 -15.971
  164    H    CYS  22           H        CYS  22   5.270  -1.279 -16.851
  165    HA   CYS  22           HA       CYS  22   5.341  -1.823 -19.683
  166   1HB   CYS  22          HB2       CYS  22   7.038  -1.772 -17.265
  167   2HB   CYS  22          HB3       CYS  22   7.423  -3.103 -18.324
  168    H    THR  23           H        THR  23   4.470  -3.412 -20.620
  169    HA   THR  23           HA       THR  23   3.753  -5.896 -19.146
  170    HB   THR  23           HB       THR  23   2.343  -6.552 -21.000
  171    HG1  THR  23           HG1      THR  23   3.724  -4.480 -22.161
  172   1HG2  THR  23          1HG2      THR  23   1.965  -3.641 -20.309
  173   2HG2  THR  23          2HG2      THR  23   0.731  -4.839 -20.823
  174   3HG2  THR  23          3HG2      THR  23   1.526  -4.997 -19.245
  175    H    VAL  24           H        VAL  24   6.332  -4.806 -20.528
  176    HA   VAL  24           HA       VAL  24   7.420  -6.960 -22.141
  177    HB   VAL  24           HB       VAL  24   7.655  -4.712 -22.934
  178   1HG1  VAL  24          1HG1      VAL  24   8.839  -3.039 -21.153
  179   2HG1  VAL  24          2HG1      VAL  24   7.113  -3.064 -21.670
  180   3HG1  VAL  24          3HG1      VAL  24   7.633  -3.807 -20.178
  181   1HG2  VAL  24          1HG2      VAL  24  10.036  -4.152 -22.855
  182   2HG2  VAL  24          2HG2      VAL  24  10.252  -5.129 -21.406
  183   3HG2  VAL  24          3HG2      VAL  24   9.848  -5.928 -22.944
  184    H    CYS  25           H        CYS  25   8.325  -4.955 -19.396
  185    HA   CYS  25           HA       CYS  25  10.243  -6.696 -18.209
  186   1HB   CYS  25          HB2       CYS  25   8.818  -4.315 -16.992
  187   2HB   CYS  25          HB3       CYS  25  10.414  -4.893 -16.573
  188    H    GLU  26           H        GLU  26   9.972  -7.067 -15.734
  189    HA   GLU  26           HA       GLU  26   7.544  -8.609 -15.196
  190   1HB   GLU  26          HB2       GLU  26  10.292  -8.424 -14.091
  191   2HB   GLU  26          HB3       GLU  26   9.029  -8.696 -12.873
  192   1HG   GLU  26          HG2       GLU  26   8.162 -10.589 -14.195
  193   2HG   GLU  26          HG3       GLU  26   9.475 -10.402 -15.342
  194    H    ASP  27           H        ASP  27   6.015  -7.053 -15.184
  195    HA   ASP  27           HA       ASP  27   4.652  -5.419 -14.435
  196   1HB   ASP  27          HB2       ASP  27   4.274  -7.311 -12.893
  197   2HB   ASP  27          HB3       ASP  27   5.393  -6.570 -11.733
  198    H    TYR  28           H        TYR  28   7.058  -4.314 -15.023
  199    HA   TYR  28           HA       TYR  28   7.942  -2.481 -12.950
  200   1HB   TYR  28          HB2       TYR  28   9.389  -3.348 -14.779
  201   2HB   TYR  28          HB3       TYR  28   8.444  -2.467 -15.966
  202    HD1  TYR  28           HD1      TYR  28  11.307  -2.406 -13.931
  203    HD2  TYR  28           HD2      TYR  28   8.356   0.161 -15.735
  204    HE1  TYR  28           HE1      TYR  28  12.822  -0.450 -13.610
  205    HE2  TYR  28           HE2      TYR  28   9.829   2.084 -15.488
  206    HH   TYR  28           HH       TYR  28  13.066   1.868 -13.887
  207    H    ASP  29           H        ASP  29   7.404  -0.330 -12.686
  208    HA   ASP  29           HA       ASP  29   4.935   0.571 -14.110
  209   1HB   ASP  29          HB2       ASP  29   5.527   1.562 -11.318
  210   2HB   ASP  29          HB3       ASP  29   4.014   1.324 -12.138
  211    H    LEU  30           H        LEU  30   4.608   2.891 -14.108
  212    HA   LEU  30           HA       LEU  30   6.771   4.564 -13.028
  213   1HB   LEU  30          HB2       LEU  30   5.805   4.573 -15.925
  214   2HB   LEU  30          HB3       LEU  30   6.609   5.913 -15.188
  215    HG   LEU  30           HG       LEU  30   7.802   3.116 -15.606
  216   1HD1  LEU  30          1HD1      LEU  30   7.657   4.547 -17.644
  217   2HD1  LEU  30          2HD1      LEU  30   8.619   5.801 -16.778
  218   3HD1  LEU  30          3HD1      LEU  30   9.301   4.206 -17.107
  219   1HD2  LEU  30          1HD2      LEU  30   9.976   4.210 -14.855
  220   2HD2  LEU  30          2HD2      LEU  30   9.022   5.614 -14.343
  221   3HD2  LEU  30          3HD2      LEU  30   8.806   4.066 -13.542
  222    H    CYS  31           H        CYS  31   5.876   6.400 -12.038
  223    HA   CYS  31           HA       CYS  31   3.078   6.973 -12.247
  224   1HB   CYS  31          HB2       CYS  31   3.624   9.041 -11.127
  225   2HB   CYS  31          HB3       CYS  31   4.390   7.711 -10.281
  226    H    ILE  32           H        ILE  32   2.390   9.114 -13.123
  227    HA   ILE  32           HA       ILE  32   2.748   9.241 -15.840
  228    HB   ILE  32           HB       ILE  32   1.951  11.607 -14.078
  229   1HG1  ILE  32          2HG1      ILE  32   0.596   9.875 -13.177
  230   2HG1  ILE  32          3HG1      ILE  32  -0.415  10.782 -14.319
  231   1HG2  ILE  32          1HG2      ILE  32   2.237  12.194 -16.378
  232   2HG2  ILE  32          2HG2      ILE  32   1.269  10.772 -16.911
  233   3HG2  ILE  32          3HG2      ILE  32   0.496  12.104 -16.050
  234   1HD1  ILE  32          1HD1      ILE  32   0.872   8.085 -14.885
  235   2HD1  ILE  32          2HD1      ILE  32  -0.801   8.392 -14.483
  236   3HD1  ILE  32          3HD1      ILE  32  -0.153   9.085 -15.985
  237    H    ASN  33           H        ASN  33   4.403  11.224 -13.398
  238    HA   ASN  33           HA       ASN  33   5.726  12.932 -15.296
  239   1HB   ASN  33          HB2       ASN  33   5.609  13.758 -13.028
  240   2HB   ASN  33          HB3       ASN  33   6.095  12.207 -12.353
  241   1HD2  ASN  33          2HD2      ASN  33   8.403  11.701 -12.160
  242   2HD2  ASN  33          1HD2      ASN  33   9.575  12.972 -12.450
  243    H    CYS  34           H        CYS  34   6.764   9.916 -13.652
  244    HA   CYS  34           HA       CYS  34   9.388  10.031 -14.814
  245   1HB   CYS  34          HB2       CYS  34   7.782   7.817 -13.505
  246   2HB   CYS  34          HB3       CYS  34   9.397   7.600 -14.199
  247    H    TYR  35           H        TYR  35   6.322   8.409 -15.804
  248    HA   TYR  35           HA       TYR  35   7.408   7.100 -18.037
  249   1HB   TYR  35          HB2       TYR  35   5.248   6.528 -17.249
  250   2HB   TYR  35          HB3       TYR  35   4.609   8.140 -17.553
  251    HD1  TYR  35           HD1      TYR  35   6.380   5.351 -19.420
  252    HD2  TYR  35           HD2      TYR  35   3.306   8.389 -19.523
  253    HE1  TYR  35           HE1      TYR  35   5.753   4.638 -21.702
  254    HE2  TYR  35           HE2      TYR  35   2.662   7.654 -21.784
  255    HH   TYR  35           HH       TYR  35   4.257   4.885 -23.428
  256    H    ASN  36           H        ASN  36   6.062  10.382 -17.676
  257    HA   ASN  36           HA       ASN  36   6.323  11.303 -20.329
  258   1HB   ASN  36          HB2       ASN  36   5.874  12.522 -17.616
  259   2HB   ASN  36          HB3       ASN  36   6.415  13.608 -18.829
  260   1HD2  ASN  36          2HD2      ASN  36   3.818  11.320 -18.100
  261   2HD2  ASN  36          1HD2      ASN  36   2.649  12.022 -19.238
  262    H    THR  37           H        THR  37   8.900  10.711 -18.116
  263    HA   THR  37           HA       THR  37  10.669  12.519 -19.736
  264    HB   THR  37           HB       THR  37  11.947  12.907 -17.609
  265    HG1  THR  37           HG1      THR  37   9.571  12.082 -16.287
  266   1HG2  THR  37          1HG2      THR  37  10.413  14.621 -18.513
  267   2HG2  THR  37          2HG2      THR  37   9.068  13.919 -17.617
  268   3HG2  THR  37          3HG2      THR  37  10.440  14.654 -16.744
  269    H    LYS  38           H        LYS  38  10.677   9.677 -17.624
  270    HA   LYS  38           HA       LYS  38  13.348   8.857 -18.217
  271   1HB   LYS  38          HB2       LYS  38  11.044   7.110 -17.278
  272   2HB   LYS  38          HB3       LYS  38  12.759   6.796 -17.057
  273   1HG   LYS  38          HG2       LYS  38  11.309   9.182 -15.783
  274   2HG   LYS  38          HG3       LYS  38  11.485   7.615 -15.018
  275   1HD   LYS  38          HD2       LYS  38  13.916   7.865 -14.956
  276   2HD   LYS  38          HD3       LYS  38  13.804   9.376 -15.880
  277   1HE   LYS  38          HE2       LYS  38  14.065   9.960 -13.557
  278   2HE   LYS  38          HE3       LYS  38  12.450  10.426 -14.096
  279   1HZ   LYS  38          HZ1       LYS  38  11.572   8.521 -12.911
  280   2HZ   LYS  38          HZ2       LYS  38  13.094   8.021 -12.518
  281   3HZ   LYS  38          HZ3       LYS  38  12.461   9.393 -11.897
  282    H    SER  39           H        SER  39  10.727   8.899 -20.281
  283    HA   SER  39           HA       SER  39  10.166   7.849 -22.196
  284   1HB   SER  39          HB2       SER  39  13.187   8.055 -22.575
  285   2HB   SER  39          HB3       SER  39  11.952   8.057 -23.852
  286    HG   SER  39           HG       SER  39  12.446  10.043 -21.881
  287    H    HIS  40           H        HIS  40  10.176   5.916 -20.329
  288    HA   HIS  40           HA       HIS  40  11.592   3.512 -21.154
  289   1HB   HIS  40          HB2       HIS  40  10.660   4.353 -18.851
  290   2HB   HIS  40          HB3       HIS  40   9.161   3.599 -19.374
  291    HD1  HIS  40           HD1      HIS  40  12.200   2.849 -17.446
  292    HD2  HIS  40           HD2      HIS  40   9.657   0.804 -20.122
  293    HE1  HIS  40           HE1      HIS  40  12.506   0.393 -16.978
  294    H    THR  41           H        THR  41  10.799   4.143 -23.386
  295    HA   THR  41           HA       THR  41   8.173   4.037 -24.279
  296    HB   THR  41           HB       THR  41  10.740   3.645 -25.864
  297    HG1  THR  41           HG1      THR  41  10.946   5.456 -24.481
  298   1HG2  THR  41          1HG2      THR  41   9.538   5.206 -27.476
  299   2HG2  THR  41          2HG2      THR  41   8.944   3.553 -27.430
  300   3HG2  THR  41          3HG2      THR  41   8.034   4.829 -26.592
  301    H    HIS  42           H        HIS  42   8.787   1.318 -22.811
  302    HA   HIS  42           HA       HIS  42   8.671  -0.559 -25.043
  303   1HB   HIS  42          HB2       HIS  42   8.187  -0.972 -22.105
  304   2HB   HIS  42          HB3       HIS  42   8.533  -2.204 -23.346
  305    HD2  HIS  42           HD2      HIS  42  11.097  -0.584 -24.641
  306    HE1  HIS  42           HE1      HIS  42  12.748  -1.010 -20.732
  307    HE2  HIS  42           HE2      HIS  42  13.295  -0.532 -23.174
  308    H    LYS  43           H        LYS  43   6.795  -2.375 -24.686
  309    HA   LYS  43           HA       LYS  43   4.385  -0.860 -25.149
  310   1HB   LYS  43          HB2       LYS  43   5.196  -3.086 -26.316
  311   2HB   LYS  43          HB3       LYS  43   4.463  -3.867 -24.937
  312   1HG   LYS  43          HG2       LYS  43   3.183  -1.894 -26.900
  313   2HG   LYS  43          HG3       LYS  43   2.932  -3.662 -26.920
  314   1HD   LYS  43          HD2       LYS  43   1.776  -1.587 -25.096
  315   2HD   LYS  43          HD3       LYS  43   0.926  -2.661 -26.196
  316   1HE   LYS  43          HE2       LYS  43   2.455  -3.409 -23.711
  317   2HE   LYS  43          HE3       LYS  43   0.700  -3.320 -23.805
  318   1HZ   LYS  43          HZ1       LYS  43   1.759  -5.554 -23.901
  319   2HZ   LYS  43          HZ2       LYS  43   0.705  -5.292 -25.169
  320   3HZ   LYS  43          HZ3       LYS  43   2.335  -5.239 -25.379
  321    H    MET  44           H        MET  44   3.330  -0.125 -23.561
  322    HA   MET  44           HA       MET  44   3.238  -1.494 -20.912
  323   1HB   MET  44          HB2       MET  44   3.209   1.418 -21.800
  324   2HB   MET  44          HB3       MET  44   2.660   0.945 -20.175
  325   1HG   MET  44          HG2       MET  44   4.662   0.128 -19.508
  326   2HG   MET  44          HG3       MET  44   5.364   0.041 -21.115
  327   1HE   MET  44          HE1       MET  44   4.647   1.951 -17.824
  328   2HE   MET  44          HE2       MET  44   6.242   1.195 -18.107
  329   3HE   MET  44          HE3       MET  44   6.119   2.936 -17.889
  330    H    VAL  45           H        VAL  45   1.297  -0.522 -19.678
  331    HA   VAL  45           HA       VAL  45  -1.248  -0.378 -21.079
  332    HB   VAL  45           HB       VAL  45  -2.109  -1.603 -19.052
  333   1HG1  VAL  45          1HG1      VAL  45  -0.636  -3.153 -21.207
  334   2HG1  VAL  45          2HG1      VAL  45  -1.867  -3.849 -20.124
  335   3HG1  VAL  45          3HG1      VAL  45  -2.344  -2.582 -21.247
  336   1HG2  VAL  45          1HG2      VAL  45   0.705  -2.738 -18.909
  337   2HG2  VAL  45          2HG2      VAL  45  -0.156  -1.771 -17.710
  338   3HG2  VAL  45          3HG2      VAL  45  -0.691  -3.439 -18.095
  339    H    LYS  46           H        LYS  46  -2.749   0.563 -19.141
  340    HA   LYS  46           HA       LYS  46  -1.205   2.428 -17.443
  341   1HB   LYS  46          HB2       LYS  46  -1.479   3.657 -19.486
  342   2HB   LYS  46          HB3       LYS  46  -3.201   3.280 -19.607
  343   1HG   LYS  46          HG2       LYS  46  -2.029   4.958 -17.340
  344   2HG   LYS  46          HG3       LYS  46  -2.594   5.602 -18.876
  345   1HD   LYS  46          HD2       LYS  46  -4.835   4.508 -18.400
  346   2HD   LYS  46          HD3       LYS  46  -4.287   4.284 -16.739
  347   1HE   LYS  46          HE2       LYS  46  -5.631   6.263 -16.829
  348   2HE   LYS  46          HE3       LYS  46  -3.982   6.690 -16.440
  349   1HZ   LYS  46          HZ1       LYS  46  -5.016   6.992 -19.200
  350   2HZ   LYS  46          HZ2       LYS  46  -5.118   8.122 -18.021
  351   3HZ   LYS  46          HZ3       LYS  46  -3.680   7.691 -18.448
  352    H    TRP  47           H        TRP  47  -2.246   2.513 -15.499
  353    HA   TRP  47           HA       TRP  47  -5.056   1.572 -15.352
  354   1HB   TRP  47          HB2       TRP  47  -2.888   0.970 -13.308
  355   2HB   TRP  47          HB3       TRP  47  -4.522   0.342 -13.348
  356    HD1  TRP  47           HD1      TRP  47  -1.079  -0.436 -14.463
  357    HE1  TRP  47           HE1      TRP  47  -0.996  -2.516 -15.899
  358    HE3  TRP  47           HE3      TRP  47  -6.025  -0.759 -15.660
  359    HZ2  TRP  47           HZ2      TRP  47  -2.794  -3.891 -17.766
  360    HZ3  TRP  47           HZ3      TRP  47  -6.765  -2.345 -17.431
  361    HH2  TRP  47           HH2      TRP  47  -5.176  -3.890 -18.478
  362    H    GLY  48           H        GLY  48  -6.102   3.452 -14.901
  363   1HA   GLY  48          HA2       GLY  48  -4.729   5.398 -13.121
  364   2HA   GLY  48          HA3       GLY  48  -5.589   5.873 -14.615
  365    H    LEU  49           H        LEU  49  -5.850   6.238 -11.626
  366    HA   LEU  49           HA       LEU  49  -8.773   5.882 -11.452
  367   1HB   LEU  49          HB2       LEU  49  -6.783   4.794  -9.431
  368   2HB   LEU  49          HB3       LEU  49  -8.477   5.032  -9.056
  369    HG   LEU  49           HG       LEU  49  -7.433   3.217 -11.272
  370   1HD1  LEU  49          1HD1      LEU  49  -6.988   2.511  -8.952
  371   2HD1  LEU  49          2HD1      LEU  49  -8.731   2.569  -8.622
  372   3HD1  LEU  49          3HD1      LEU  49  -8.085   1.394  -9.793
  373   1HD2  LEU  49          1HD2      LEU  49  -9.819   2.343 -11.289
  374   2HD2  LEU  49          2HD2      LEU  49 -10.267   3.710 -10.219
  375   3HD2  LEU  49          3HD2      LEU  49  -9.717   3.994 -11.867
  376    H    GLY  50           H        GLY  50  -6.324   8.140 -11.359
  377   1HA   GLY  50          HA2       GLY  50  -8.064   9.970  -9.893
  378   2HA   GLY  50          HA3       GLY  50  -6.623   9.525  -8.988
  379    H    LEU  51           H        LEU  51  -4.936   9.567 -11.655
  380    HA   LEU  51           HA       LEU  51  -4.896  12.563 -11.824
  381   1HB   LEU  51          HB2       LEU  51  -2.650  10.569 -11.344
  382   2HB   LEU  51          HB3       LEU  51  -2.318  12.127 -12.077
  383    HG   LEU  51           HG       LEU  51  -3.582  11.761  -9.339
  384   1HD1  LEU  51          1HD1      LEU  51  -0.749  12.656 -10.131
  385   2HD1  LEU  51          2HD1      LEU  51  -1.404  12.495  -8.490
  386   3HD1  LEU  51          3HD1      LEU  51  -1.184  11.064  -9.484
  387   1HD2  LEU  51          1HD2      LEU  51  -2.698  14.282 -10.848
  388   2HD2  LEU  51          2HD2      LEU  51  -4.304  13.904 -10.207
  389   3HD2  LEU  51          3HD2      LEU  51  -2.979  14.199  -9.081
  390    H    ASP  52           H        ASP  52  -5.014   9.757 -13.858
  391    HA   ASP  52           HA       ASP  52  -4.873  11.373 -16.225
  392   1HB   ASP  52          HB2       ASP  52  -2.624  11.251 -16.455
  393   2HB   ASP  52          HB3       ASP  52  -2.431   9.996 -15.250
  Start of MODEL   19
    1   1H    GLY   1           H1       GLY   1   3.623  -3.904 -10.539
    2   2H    GLY   1           H2       GLY   1   4.045  -2.363 -10.163
    3   3H    GLY   1           H3       GLY   1   5.081  -3.587  -9.838
    4   1HA   GLY   1          HA2       GLY   1   3.469  -4.516  -8.267
    5   2HA   GLY   1          HA3       GLY   1   4.015  -2.864  -7.814
    6    H    GLN   2           H        GLN   2   1.217  -4.673  -7.819
    7    HA   GLN   2           HA       GLN   2  -0.353  -2.236  -8.067
    8   1HB   GLN   2          HB2       GLN   2  -1.902  -3.295  -9.700
    9   2HB   GLN   2          HB3       GLN   2  -0.303  -2.855 -10.291
   10   1HG   GLN   2          HG2       GLN   2   0.358  -5.240 -10.350
   11   2HG   GLN   2          HG3       GLN   2  -1.347  -5.657  -9.960
   12   1HE2  GLN   2          2HE2      GLN   2   0.611  -5.540 -12.622
   13   2HE2  GLN   2          1HE2      GLN   2  -0.520  -4.902 -13.795
   14    H    ASP   3           H        ASP   3  -2.456  -2.318  -7.487
   15    HA   ASP   3           HA       ASP   3  -3.577  -4.454  -5.828
   16   1HB   ASP   3          HB2       ASP   3  -2.321  -2.706  -4.356
   17   2HB   ASP   3          HB3       ASP   3  -3.474  -1.516  -4.977
   18    H    ARG   4           H        ARG   4  -5.923  -3.462  -5.237
   19    HA   ARG   4           HA       ARG   4  -7.369  -3.240  -7.633
   20   1HB   ARG   4          HB2       ARG   4  -8.566  -2.073  -5.146
   21   2HB   ARG   4          HB3       ARG   4  -9.294  -3.060  -6.397
   22   1HG   ARG   4          HG2       ARG   4  -9.279  -4.682  -4.818
   23   2HG   ARG   4          HG3       ARG   4  -7.590  -4.897  -5.292
   24   1HD   ARG   4          HD2       ARG   4  -7.073  -3.095  -3.503
   25   2HD   ARG   4          HD3       ARG   4  -8.740  -3.284  -2.972
   26    HE   ARG   4           HE       ARG   4  -7.958  -5.833  -2.910
   27   1HH1  ARG   4          2HH2      ARG   4  -5.972  -3.104  -1.842
   28   2HH1  ARG   4          1HH2      ARG   4  -5.445  -3.789  -0.404
   29   1HH2  ARG   4          1HH1      ARG   4  -6.966  -6.929  -1.130
   30   2HH2  ARG   4          2HH1      ARG   4  -5.955  -6.072  -0.032
   31    H    PHE   5           H        PHE   5  -6.063  -0.573  -5.649
   32    HA   PHE   5           HA       PHE   5  -6.618   1.296  -7.831
   33   1HB   PHE   5          HB2       PHE   5  -7.741   2.952  -6.393
   34   2HB   PHE   5          HB3       PHE   5  -8.677   1.489  -6.626
   35    HD1  PHE   5           HD1      PHE   5  -6.619   3.418  -4.170
   36    HD2  PHE   5           HD2      PHE   5  -9.317   0.114  -4.750
   37    HE1  PHE   5           HE1      PHE   5  -6.837   3.177  -1.728
   38    HE2  PHE   5           HE2      PHE   5  -9.554  -0.117  -2.296
   39    HZ   PHE   5           HZ       PHE   5  -8.277   1.373  -0.769
   40    H    VAL   6           H        VAL   6  -4.330  -0.011  -6.049
   41    HA   VAL   6           HA       VAL   6  -2.808   2.469  -5.689
   42    HB   VAL   6           HB       VAL   6  -3.525   0.433  -3.618
   43   1HG1  VAL   6          1HG1      VAL   6  -1.418   0.739  -2.342
   44   2HG1  VAL   6          2HG1      VAL   6  -1.189  -0.187  -3.831
   45   3HG1  VAL   6          3HG1      VAL   6  -0.689   1.531  -3.747
   46   1HG2  VAL   6          1HG2      VAL   6  -2.637   3.364  -3.656
   47   2HG2  VAL   6          2HG2      VAL   6  -4.285   2.715  -3.521
   48   3HG2  VAL   6          3HG2      VAL   6  -3.149   2.463  -2.195
   49    H    TYR   7           H        TYR   7  -0.693   2.252  -6.199
   50    HA   TYR   7           HA       TYR   7   0.358  -0.226  -7.385
   51   1HB   TYR   7          HB2       TYR   7   0.064   2.430  -8.838
   52   2HB   TYR   7          HB3       TYR   7   0.654   0.873  -9.476
   53    HD1  TYR   7           HD1      TYR   7  -0.947  -0.928  -9.850
   54    HD2  TYR   7           HD2      TYR   7  -2.299   2.947  -8.689
   55    HE1  TYR   7           HE1      TYR   7  -3.325  -1.631 -10.346
   56    HE2  TYR   7           HE2      TYR   7  -4.648   2.266  -9.059
   57    HH   TYR   7           HH       TYR   7  -5.562  -1.030  -9.967
   58    H    THR   8           H        THR   8   2.525   0.926  -8.642
   59    HA   THR   8           HA       THR   8   3.801   2.786  -6.746
   60    HB   THR   8           HB       THR   8   5.912   1.204  -7.432
   61    HG1  THR   8           HG1      THR   8   4.703  -0.362  -8.570
   62   1HG2  THR   8          1HG2      THR   8   3.991   0.724  -5.143
   63   2HG2  THR   8          2HG2      THR   8   5.548  -0.117  -5.337
   64   3HG2  THR   8          3HG2      THR   8   5.509   1.642  -5.166
   65    H    CYS   9           H        CYS   9   5.837   3.684  -7.715
   66    HA   CYS   9           HA       CYS   9   5.846   3.756 -10.689
   67   1HB   CYS   9          HB2       CYS   9   5.557   6.092  -9.842
   68   2HB   CYS   9          HB3       CYS   9   6.852   5.853  -8.672
   69    H    ASN  10           H        ASN  10   7.392   2.102 -11.010
   70    HA   ASN  10           HA       ASN  10   9.214   1.363  -8.944
   71   1HB   ASN  10          HB2       ASN  10   8.324  -0.203 -10.757
   72   2HB   ASN  10          HB3       ASN  10   9.446   0.618 -11.858
   73   1HD2  ASN  10          2HD2      ASN  10  11.041  -0.921 -12.182
   74   2HD2  ASN  10          1HD2      ASN  10  11.940  -1.699 -10.884
   75    H    GLU  11           H        GLU  11   9.259   4.206 -10.653
   76    HA   GLU  11           HA       GLU  11  12.184   4.207 -10.632
   77   1HB   GLU  11          HB2       GLU  11  10.274   5.612 -12.327
   78   2HB   GLU  11          HB3       GLU  11  11.442   6.683 -11.574
   79   1HG   GLU  11          HG2       GLU  11  12.237   4.073 -13.001
   80   2HG   GLU  11          HG3       GLU  11  12.278   5.650 -13.781
   81    H    CYS  12           H        CYS  12   9.382   5.434  -8.965
   82    HA   CYS  12           HA       CYS  12  11.055   7.212  -7.240
   83   1HB   CYS  12          HB2       CYS  12   8.055   6.633  -7.163
   84   2HB   CYS  12          HB3       CYS  12   8.952   7.842  -6.236
   85    H    LYS  13           H        LYS  13   9.531   4.142  -7.438
   86    HA   LYS  13           HA       LYS  13   9.090   2.382  -6.123
   87   1HB   LYS  13          HB2       LYS  13  11.830   3.106  -5.001
   88   2HB   LYS  13          HB3       LYS  13  10.916   1.721  -4.419
   89   1HG   LYS  13          HG2       LYS  13  11.649   0.480  -6.080
   90   2HG   LYS  13          HG3       LYS  13  10.697   1.414  -7.178
   91   1HD   LYS  13          HD2       LYS  13  13.657   1.670  -6.615
   92   2HD   LYS  13          HD3       LYS  13  12.784   1.254  -8.114
   93   1HE   LYS  13          HE2       LYS  13  11.812   3.619  -7.994
   94   2HE   LYS  13          HE3       LYS  13  13.030   3.991  -6.776
   95   1HZ   LYS  13          HZ1       LYS  13  13.693   4.606  -9.001
   96   2HZ   LYS  13          HZ2       LYS  13  14.731   3.428  -8.515
   97   3HZ   LYS  13          HZ3       LYS  13  13.497   3.142  -9.573
   98    H    HIS  14           H        HIS  14   7.826   4.636  -5.698
   99    HA   HIS  14           HA       HIS  14   6.877   4.300  -2.916
  100   1HB   HIS  14          HB2       HIS  14   7.930   6.497  -3.060
  101   2HB   HIS  14          HB3       HIS  14   6.979   6.904  -4.482
  102    HD2  HIS  14           HD2      HIS  14   4.771   8.137  -4.000
  103    HE1  HIS  14           HE1      HIS  14   3.696   6.414  -0.279
  104    HE2  HIS  14           HE2      HIS  14   2.944   7.914  -2.156
  105    H    HIS  15           H        HIS  15   4.566   4.867  -2.845
  106    HA   HIS  15           HA       HIS  15   3.144   3.329  -4.772
  107   1HB   HIS  15          HB2       HIS  15   1.900   2.999  -2.945
  108   2HB   HIS  15          HB3       HIS  15   2.785   4.231  -2.063
  109    HD2  HIS  15           HD2      HIS  15  -0.384   3.779  -4.206
  110    HE1  HIS  15           HE1      HIS  15  -0.805   7.534  -2.246
  111    HE2  HIS  15           HE2      HIS  15  -1.984   5.824  -3.695
  112    H    VAL  16           H        VAL  16   1.278   4.010  -5.985
  113    HA   VAL  16           HA       VAL  16   0.710   6.806  -6.359
  114    HB   VAL  16           HB       VAL  16   1.156   6.895  -8.761
  115   1HG1  VAL  16          1HG1      VAL  16   3.518   6.377  -9.061
  116   2HG1  VAL  16          2HG1      VAL  16   3.226   7.246  -7.529
  117   3HG1  VAL  16          3HG1      VAL  16   3.579   5.494  -7.559
  118   1HG2  VAL  16          1HG2      VAL  16   2.017   4.992 -10.084
  119   2HG2  VAL  16          2HG2      VAL  16   1.874   3.920  -8.691
  120   3HG2  VAL  16          3HG2      VAL  16   0.432   4.634  -9.436
  121    H    GLU  17           H        GLU  17  -1.329   7.003  -7.788
  122    HA   GLU  17           HA       GLU  17  -3.110   4.673  -7.240
  123   1HB   GLU  17          HB2       GLU  17  -4.883   6.503  -7.546
  124   2HB   GLU  17          HB3       GLU  17  -4.025   6.360  -6.004
  125   1HG   GLU  17          HG2       GLU  17  -4.342   8.715  -6.678
  126   2HG   GLU  17          HG3       GLU  17  -2.623   8.267  -6.507
  127    H    THR  18           H        THR  18  -1.698   6.684  -9.693
  128    HA   THR  18           HA       THR  18  -3.091   5.149 -11.825
  129    HB   THR  18           HB       THR  18  -2.517   8.127 -11.669
  130    HG1  THR  18           HG1      THR  18  -4.257   7.895 -10.617
  131   1HG2  THR  18          1HG2      THR  18  -4.363   7.332 -13.785
  132   2HG2  THR  18          2HG2      THR  18  -2.870   8.280 -13.946
  133   3HG2  THR  18          3HG2      THR  18  -2.789   6.531 -14.061
  134    H    ARG  19           H        ARG  19  -1.602   4.440 -13.454
  135    HA   ARG  19           HA       ARG  19   1.174   5.468 -13.389
  136   1HB   ARG  19          HB2       ARG  19   2.202   3.507 -12.721
  137   2HB   ARG  19          HB3       ARG  19   0.848   3.644 -11.611
  138   1HG   ARG  19          HG2       ARG  19  -0.390   2.045 -13.383
  139   2HG   ARG  19          HG3       ARG  19   1.276   1.696 -13.910
  140   1HD   ARG  19          HD2       ARG  19   1.554   1.494 -11.246
  141   2HD   ARG  19          HD3       ARG  19  -0.176   1.088 -11.422
  142    HE   ARG  19           HE       ARG  19   2.171  -0.454 -12.227
  143   1HH1  ARG  19          1HH1      ARG  19  -1.384  -0.522 -12.169
  144   2HH1  ARG  19          2HH1      ARG  19  -1.398  -2.201 -12.557
  145   1HH2  ARG  19          1HH2      ARG  19   2.147  -2.474 -12.574
  146   2HH2  ARG  19          2HH2      ARG  19   0.713  -3.376 -12.871
  147    H    TRP  20           H        TRP  20   2.508   4.238 -14.901
  148    HA   TRP  20           HA       TRP  20   1.178   3.132 -17.329
  149   1HB   TRP  20          HB2       TRP  20   3.864   4.474 -16.882
  150   2HB   TRP  20          HB3       TRP  20   3.229   3.897 -18.441
  151    HD1  TRP  20           HD1      TRP  20   2.736   6.694 -15.890
  152    HE1  TRP  20           HE1      TRP  20   1.133   8.499 -16.789
  153    HE3  TRP  20           HE3      TRP  20   1.536   4.547 -20.332
  154    HZ2  TRP  20           HZ2      TRP  20  -0.525   8.904 -19.081
  155    HZ3  TRP  20           HZ3      TRP  20  -0.076   5.677 -21.892
  156    HH2  TRP  20           HH2      TRP  20  -1.142   7.832 -21.245
  157    H    HIS  21           H        HIS  21   1.873   0.969 -17.708
  158    HA   HIS  21           HA       HIS  21   3.850  -0.188 -15.814
  159   1HB   HIS  21          HB2       HIS  21   1.911  -0.730 -14.683
  160   2HB   HIS  21          HB3       HIS  21   0.912  -0.688 -16.111
  161    HD2  HIS  21           HD2      HIS  21   3.929  -3.092 -16.040
  162    HE1  HIS  21           HE1      HIS  21   0.472  -5.502 -15.549
  163    HE2  HIS  21           HE2      HIS  21   3.002  -5.513 -15.908
  164    H    CYS  22           H        CYS  22   5.314  -1.234 -16.832
  165    HA   CYS  22           HA       CYS  22   5.336  -1.832 -19.664
  166   1HB   CYS  22          HB2       CYS  22   7.101  -1.769 -17.309
  167   2HB   CYS  22          HB3       CYS  22   7.421  -3.164 -18.322
  168    H    THR  23           H        THR  23   4.499  -3.482 -20.620
  169    HA   THR  23           HA       THR  23   3.980  -5.957 -19.077
  170    HB   THR  23           HB       THR  23   2.284  -6.538 -20.888
  171    HG1  THR  23           HG1      THR  23   3.313  -4.318 -21.937
  172   1HG2  THR  23          1HG2      THR  23   1.976  -3.928 -19.431
  173   2HG2  THR  23          2HG2      THR  23   0.634  -5.019 -19.892
  174   3HG2  THR  23          3HG2      THR  23   1.773  -5.520 -18.644
  175    H    VAL  24           H        VAL  24   6.371  -5.028 -20.288
  176    HA   VAL  24           HA       VAL  24   7.432  -7.184 -21.986
  177    HB   VAL  24           HB       VAL  24   7.428  -4.953 -22.885
  178   1HG1  VAL  24          1HG1      VAL  24   8.758  -3.175 -21.167
  179   2HG1  VAL  24          2HG1      VAL  24   7.068  -3.186 -21.776
  180   3HG1  VAL  24          3HG1      VAL  24   7.470  -3.882 -20.240
  181   1HG2  VAL  24          1HG2      VAL  24  10.148  -5.222 -21.544
  182   2HG2  VAL  24          2HG2      VAL  24   9.659  -6.144 -22.987
  183   3HG2  VAL  24          3HG2      VAL  24   9.810  -4.356 -23.030
  184    H    CYS  25           H        CYS  25   8.517  -4.873 -19.496
  185    HA   CYS  25           HA       CYS  25  10.390  -6.579 -18.172
  186   1HB   CYS  25          HB2       CYS  25   8.942  -4.187 -17.021
  187   2HB   CYS  25          HB3       CYS  25  10.556  -4.738 -16.610
  188    H    GLU  26           H        GLU  26  10.064  -7.299 -15.834
  189    HA   GLU  26           HA       GLU  26   7.500  -8.557 -15.414
  190   1HB   GLU  26          HB2       GLU  26  10.145  -8.482 -13.968
  191   2HB   GLU  26          HB3       GLU  26   8.684  -8.974 -13.088
  192   1HG   GLU  26          HG2       GLU  26   8.177 -10.675 -14.769
  193   2HG   GLU  26          HG3       GLU  26   9.601 -10.210 -15.702
  194    H    ASP  27           H        ASP  27   5.893  -7.224 -15.101
  195    HA   ASP  27           HA       ASP  27   4.569  -5.530 -14.374
  196   1HB   ASP  27          HB2       ASP  27   4.337  -7.564 -12.916
  197   2HB   ASP  27          HB3       ASP  27   5.292  -6.736 -11.688
  198    H    TYR  28           H        TYR  28   6.953  -4.391 -14.914
  199    HA   TYR  28           HA       TYR  28   7.862  -2.590 -12.829
  200   1HB   TYR  28          HB2       TYR  28   9.250  -3.460 -14.744
  201   2HB   TYR  28          HB3       TYR  28   8.213  -2.596 -15.852
  202    HD1  TYR  28           HD1      TYR  28  11.196  -2.367 -13.873
  203    HD2  TYR  28           HD2      TYR  28   8.129  -0.060 -15.844
  204    HE1  TYR  28           HE1      TYR  28  12.646  -0.377 -13.780
  205    HE2  TYR  28           HE2      TYR  28   9.580   1.913 -15.799
  206    HH   TYR  28           HH       TYR  28  12.852   1.884 -14.319
  207    H    ASP  29           H        ASP  29   7.318  -0.351 -12.662
  208    HA   ASP  29           HA       ASP  29   5.016   0.587 -14.302
  209   1HB   ASP  29          HB2       ASP  29   5.235   1.266 -11.393
  210   2HB   ASP  29          HB3       ASP  29   3.778   1.252 -12.379
  211    H    LEU  30           H        LEU  30   4.680   2.946 -14.093
  212    HA   LEU  30           HA       LEU  30   6.795   4.524 -12.831
  213   1HB   LEU  30          HB2       LEU  30   5.903   4.744 -15.750
  214   2HB   LEU  30          HB3       LEU  30   6.760   5.988 -14.881
  215    HG   LEU  30           HG       LEU  30   7.798   3.181 -15.521
  216   1HD1  LEU  30          1HD1      LEU  30   9.308   4.340 -17.028
  217   2HD1  LEU  30          2HD1      LEU  30   7.639   4.802 -17.438
  218   3HD1  LEU  30          3HD1      LEU  30   8.683   5.916 -16.527
  219   1HD2  LEU  30          1HD2      LEU  30   8.868   3.982 -13.403
  220   2HD2  LEU  30          2HD2      LEU  30  10.016   4.019 -14.743
  221   3HD2  LEU  30          3HD2      LEU  30   9.239   5.522 -14.208
  222    H    CYS  31           H        CYS  31   5.920   6.460 -11.971
  223    HA   CYS  31           HA       CYS  31   3.109   6.994 -12.115
  224   1HB   CYS  31          HB2       CYS  31   3.661   9.081 -11.019
  225   2HB   CYS  31          HB3       CYS  31   4.426   7.789 -10.135
  226    H    ILE  32           H        ILE  32   2.402   9.151 -12.942
  227    HA   ILE  32           HA       ILE  32   2.752   9.245 -15.686
  228    HB   ILE  32           HB       ILE  32   1.900  11.580 -13.959
  229   1HG1  ILE  32          2HG1      ILE  32   0.586   9.875 -13.023
  230   2HG1  ILE  32          3HG1      ILE  32  -0.462  10.739 -14.104
  231   1HG2  ILE  32          1HG2      ILE  32   2.167  12.185 -16.235
  232   2HG2  ILE  32          2HG2      ILE  32   1.210  10.774 -16.805
  233   3HG2  ILE  32          3HG2      ILE  32   0.433  12.076 -15.916
  234   1HD1  ILE  32          1HD1      ILE  32  -0.376   8.956 -15.755
  235   2HD1  ILE  32          2HD1      ILE  32   0.859   8.079 -14.783
  236   3HD1  ILE  32          3HD1      ILE  32  -0.771   8.282 -14.161
  237    H    ASN  33           H        ASN  33   4.355  11.285 -13.242
  238    HA   ASN  33           HA       ASN  33   5.639  13.023 -15.133
  239   1HB   ASN  33          HB2       ASN  33   5.394  13.904 -12.954
  240   2HB   ASN  33          HB3       ASN  33   5.876  12.397 -12.161
  241   1HD2  ASN  33          2HD2      ASN  33   8.082  11.916 -11.789
  242   2HD2  ASN  33          1HD2      ASN  33   9.315  13.128 -12.062
  243    H    CYS  34           H        CYS  34   6.700   9.988 -13.525
  244    HA   CYS  34           HA       CYS  34   9.384  10.104 -14.614
  245   1HB   CYS  34          HB2       CYS  34   7.701   7.978 -13.260
  246   2HB   CYS  34          HB3       CYS  34   9.249   7.595 -14.056
  247    H    TYR  35           H        TYR  35   6.340   8.463 -15.643
  248    HA   TYR  35           HA       TYR  35   7.404   7.203 -17.934
  249   1HB   TYR  35          HB2       TYR  35   5.172   6.728 -17.120
  250   2HB   TYR  35          HB3       TYR  35   4.628   8.361 -17.481
  251    HD1  TYR  35           HD1      TYR  35   6.280   5.437 -19.229
  252    HD2  TYR  35           HD2      TYR  35   3.487   8.704 -19.495
  253    HE1  TYR  35           HE1      TYR  35   5.668   4.723 -21.535
  254    HE2  TYR  35           HE2      TYR  35   2.828   7.962 -21.749
  255    HH   TYR  35           HH       TYR  35   4.239   5.046 -23.281
  256    H    ASN  36           H        ASN  36   6.131  10.491 -17.525
  257    HA   ASN  36           HA       ASN  36   6.423  11.463 -20.146
  258   1HB   ASN  36          HB2       ASN  36   6.004  12.612 -17.400
  259   2HB   ASN  36          HB3       ASN  36   6.642  13.717 -18.549
  260   1HD2  ASN  36          2HD2      ASN  36   3.924  11.571 -17.928
  261   2HD2  ASN  36          1HD2      ASN  36   2.781  12.376 -19.002
  262    H    THR  37           H        THR  37   8.989  10.763 -17.916
  263    HA   THR  37           HA       THR  37  10.814  12.571 -19.484
  264    HB   THR  37           HB       THR  37  12.119  12.731 -17.340
  265    HG1  THR  37           HG1      THR  37   9.739  12.058 -16.040
  266   1HG2  THR  37          1HG2      THR  37  10.705  14.589 -18.132
  267   2HG2  THR  37          2HG2      THR  37   9.321  13.932 -17.264
  268   3HG2  THR  37          3HG2      THR  37  10.747  14.506 -16.369
  269    H    LYS  38           H        LYS  38  10.664   9.651 -17.517
  270    HA   LYS  38           HA       LYS  38  13.234   8.639 -18.217
  271   1HB   LYS  38          HB2       LYS  38  10.837   7.039 -17.264
  272   2HB   LYS  38          HB3       LYS  38  12.517   6.580 -17.110
  273   1HG   LYS  38          HG2       LYS  38  11.284   9.005 -15.701
  274   2HG   LYS  38          HG3       LYS  38  11.449   7.405 -14.983
  275   1HD   LYS  38          HD2       LYS  38  13.879   7.627 -15.010
  276   2HD   LYS  38          HD3       LYS  38  13.779   9.085 -16.006
  277   1HE   LYS  38          HE2       LYS  38  14.212   9.738 -13.733
  278   2HE   LYS  38          HE3       LYS  38  12.579  10.284 -14.183
  279   1HZ   LYS  38          HZ1       LYS  38  12.710   9.254 -11.947
  280   2HZ   LYS  38          HZ2       LYS  38  11.686   8.449 -12.881
  281   3HZ   LYS  38          HZ3       LYS  38  13.212   7.865 -12.608
  282    H    SER  39           H        SER  39  10.537   8.974 -20.184
  283    HA   SER  39           HA       SER  39   9.827   8.048 -22.126
  284   1HB   SER  39          HB2       SER  39  12.829   8.137 -22.544
  285   2HB   SER  39          HB3       SER  39  11.577   8.248 -23.796
  286    HG   SER  39           HG       SER  39  12.208  10.094 -21.727
  287    H    HIS  40           H        HIS  40   9.536   5.955 -20.537
  288    HA   HIS  40           HA       HIS  40  11.005   3.584 -21.395
  289   1HB   HIS  40          HB2       HIS  40   9.140   4.283 -19.331
  290   2HB   HIS  40          HB3       HIS  40   8.364   3.050 -20.318
  291    HD1  HIS  40           HD1      HIS  40  11.347   3.439 -17.942
  292    HD2  HIS  40           HD2      HIS  40   9.457   0.645 -20.419
  293    HE1  HIS  40           HE1      HIS  40  12.249   1.141 -17.262
  294    H    THR  41           H        THR  41  10.861   2.837 -23.350
  295    HA   THR  41           HA       THR  41   8.688   3.726 -25.060
  296    HB   THR  41           HB       THR  41  10.846   2.213 -26.285
  297    HG1  THR  41           HG1      THR  41  11.699   4.364 -24.647
  298   1HG2  THR  41          1HG2      THR  41  11.244   4.219 -27.538
  299   2HG2  THR  41          2HG2      THR  41   9.522   3.863 -27.477
  300   3HG2  THR  41          3HG2      THR  41  10.178   5.165 -26.450
  301    H    HIS  42           H        HIS  42   9.055   0.889 -23.220
  302    HA   HIS  42           HA       HIS  42   8.623  -1.042 -25.325
  303   1HB   HIS  42          HB2       HIS  42   8.179  -1.275 -22.353
  304   2HB   HIS  42          HB3       HIS  42   8.526  -2.576 -23.517
  305    HD2  HIS  42           HD2      HIS  42  11.185  -1.118 -24.850
  306    HE1  HIS  42           HE1      HIS  42  12.691  -1.047 -20.873
  307    HE2  HIS  42           HE2      HIS  42  13.309  -0.851 -23.353
  308    H    LYS  43           H        LYS  43   6.646  -2.663 -25.100
  309    HA   LYS  43           HA       LYS  43   4.311  -1.037 -25.267
  310   1HB   LYS  43          HB2       LYS  43   4.735  -3.223 -26.560
  311   2HB   LYS  43          HB3       LYS  43   4.286  -4.070 -25.070
  312   1HG   LYS  43          HG2       LYS  43   2.218  -2.204 -25.295
  313   2HG   LYS  43          HG3       LYS  43   2.648  -2.428 -26.972
  314   1HD   LYS  43          HD2       LYS  43   0.851  -3.936 -26.502
  315   2HD   LYS  43          HD3       LYS  43   2.312  -4.922 -26.618
  316   1HE   LYS  43          HE2       LYS  43   1.069  -5.682 -24.681
  317   2HE   LYS  43          HE3       LYS  43   2.511  -4.841 -24.111
  318   1HZ   LYS  43          HZ1       LYS  43   0.852  -4.082 -22.788
  319   2HZ   LYS  43          HZ2       LYS  43   1.012  -2.858 -23.774
  320   3HZ   LYS  43          HZ3       LYS  43  -0.272  -3.875 -23.968
  321    H    MET  44           H        MET  44   3.580  -0.138 -23.532
  322    HA   MET  44           HA       MET  44   3.368  -1.537 -20.910
  323   1HB   MET  44          HB2       MET  44   3.338   1.360 -21.864
  324   2HB   MET  44          HB3       MET  44   2.766   0.916 -20.244
  325   1HG   MET  44          HG2       MET  44   4.730   0.172 -19.510
  326   2HG   MET  44          HG3       MET  44   5.471  -0.084 -21.086
  327   1HE   MET  44          HE1       MET  44   6.237   3.045 -18.098
  328   2HE   MET  44          HE2       MET  44   4.676   2.217 -18.064
  329   3HE   MET  44          HE3       MET  44   6.156   1.251 -18.113
  330    H    VAL  45           H        VAL  45   1.364  -0.483 -19.731
  331    HA   VAL  45           HA       VAL  45  -1.134  -0.303 -21.191
  332    HB   VAL  45           HB       VAL  45  -2.085  -1.550 -19.257
  333   1HG1  VAL  45          1HG1      VAL  45  -0.314  -3.330 -20.985
  334   2HG1  VAL  45          2HG1      VAL  45  -1.847  -3.754 -20.192
  335   3HG1  VAL  45          3HG1      VAL  45  -1.867  -2.600 -21.510
  336   1HG2  VAL  45          1HG2      VAL  45  -0.247  -1.515 -17.702
  337   2HG2  VAL  45          2HG2      VAL  45  -0.669  -3.221 -18.056
  338   3HG2  VAL  45          3HG2      VAL  45   0.748  -2.488 -18.782
  339    H    LYS  46           H        LYS  46  -2.639   0.782 -19.366
  340    HA   LYS  46           HA       LYS  46  -1.113   2.452 -17.482
  341   1HB   LYS  46          HB2       LYS  46  -1.331   3.731 -19.629
  342   2HB   LYS  46          HB3       LYS  46  -3.083   3.615 -19.526
  343   1HG   LYS  46          HG2       LYS  46  -1.338   5.030 -17.429
  344   2HG   LYS  46          HG3       LYS  46  -1.931   5.806 -18.874
  345   1HD   LYS  46          HD2       LYS  46  -4.296   5.399 -18.116
  346   2HD   LYS  46          HD3       LYS  46  -3.654   4.754 -16.593
  347   1HE   LYS  46          HE2       LYS  46  -4.067   7.026 -16.177
  348   2HE   LYS  46          HE3       LYS  46  -2.312   6.889 -16.346
  349   1HZ   LYS  46          HZ1       LYS  46  -4.275   7.943 -18.256
  350   2HZ   LYS  46          HZ2       LYS  46  -3.180   8.774 -17.512
  351   3HZ   LYS  46          HZ3       LYS  46  -2.658   7.756 -18.680
  352    H    TRP  47           H        TRP  47  -2.342   2.746 -15.687
  353    HA   TRP  47           HA       TRP  47  -5.128   1.768 -15.646
  354   1HB   TRP  47          HB2       TRP  47  -3.082   1.127 -13.498
  355   2HB   TRP  47          HB3       TRP  47  -4.738   0.531 -13.647
  356    HD1  TRP  47           HD1      TRP  47  -1.225  -0.209 -14.592
  357    HE1  TRP  47           HE1      TRP  47  -1.047  -2.332 -15.949
  358    HE3  TRP  47           HE3      TRP  47  -6.124  -0.634 -16.044
  359    HZ2  TRP  47           HZ2      TRP  47  -2.711  -3.772 -17.834
  360    HZ3  TRP  47           HZ3      TRP  47  -6.730  -2.338 -17.767
  361    HH2  TRP  47           HH2      TRP  47  -5.050  -3.912 -18.626
  362    H    GLY  48           H        GLY  48  -6.359   3.294 -14.446
  363   1HA   GLY  48          HA2       GLY  48  -4.911   5.389 -13.020
  364   2HA   GLY  48          HA3       GLY  48  -5.842   5.845 -14.495
  365    H    LEU  49           H        LEU  49  -6.092   6.458 -11.649
  366    HA   LEU  49           HA       LEU  49  -8.907   5.732 -11.247
  367   1HB   LEU  49          HB2       LEU  49  -6.731   4.428  -9.871
  368   2HB   LEU  49          HB3       LEU  49  -7.499   5.450  -8.695
  369    HG   LEU  49           HG       LEU  49  -8.341   3.193  -8.728
  370   1HD1  LEU  49          1HD1      LEU  49 -10.734   3.660  -8.612
  371   2HD1  LEU  49          2HD1      LEU  49  -9.845   5.053  -7.954
  372   3HD1  LEU  49          3HD1      LEU  49 -10.531   5.137  -9.587
  373   1HD2  LEU  49          1HD2      LEU  49  -9.639   3.639 -11.430
  374   2HD2  LEU  49          2HD2      LEU  49  -8.161   2.688 -11.124
  375   3HD2  LEU  49          3HD2      LEU  49  -9.683   2.192 -10.404
  376    H    GLY  50           H        GLY  50  -6.318   8.080 -10.670
  377   1HA   GLY  50          HA2       GLY  50  -8.385   9.856  -9.460
  378   2HA   GLY  50          HA3       GLY  50  -6.813   9.611  -8.666
  379    H    LEU  51           H        LEU  51  -5.112   9.668 -10.912
  380    HA   LEU  51           HA       LEU  51  -5.455  12.410 -12.048
  381   1HB   LEU  51          HB2       LEU  51  -3.030  11.175 -10.665
  382   2HB   LEU  51          HB3       LEU  51  -2.994  12.689 -11.526
  383    HG   LEU  51           HG       LEU  51  -4.745  12.200  -9.065
  384   1HD1  LEU  51          1HD1      LEU  51  -2.046  13.572  -9.163
  385   2HD1  LEU  51          2HD1      LEU  51  -3.154  13.407  -7.752
  386   3HD1  LEU  51          3HD1      LEU  51  -2.387  11.976  -8.458
  387   1HD2  LEU  51          1HD2      LEU  51  -5.579  14.042 -10.464
  388   2HD2  LEU  51          2HD2      LEU  51  -4.905  14.656  -8.953
  389   3HD2  LEU  51          3HD2      LEU  51  -3.964  14.796 -10.453
  390    H    ASP  52           H        ASP  52  -6.259  10.902 -13.786
  391    HA   ASP  52           HA       ASP  52  -4.558   9.040 -15.083
  392   1HB   ASP  52          HB2       ASP  52  -7.133   9.343 -15.252
  393   2HB   ASP  52          HB3       ASP  52  -6.778  10.498 -16.533
  Start of MODEL   20
    1   1H    GLY   1           H1       GLY   1   3.545  -3.984 -10.223
    2   2H    GLY   1           H2       GLY   1   3.980  -2.406 -10.036
    3   3H    GLY   1           H3       GLY   1   4.949  -3.605  -9.481
    4   1HA   GLY   1          HA2       GLY   1   3.229  -4.265  -7.899
    5   2HA   GLY   1          HA3       GLY   1   3.816  -2.616  -7.640
    6    H    GLN   2           H        GLN   2   1.137  -4.145  -7.200
    7    HA   GLN   2           HA       GLN   2  -0.671  -2.019  -8.014
    8   1HB   GLN   2          HB2       GLN   2  -2.270  -3.599  -8.982
    9   2HB   GLN   2          HB3       GLN   2  -0.788  -3.580  -9.913
   10   1HG   GLN   2          HG2       GLN   2  -1.545  -5.733  -7.867
   11   2HG   GLN   2          HG3       GLN   2  -1.723  -5.870  -9.626
   12   1HE2  GLN   2          2HE2      GLN   2   0.363  -5.800 -10.967
   13   2HE2  GLN   2          1HE2      GLN   2   1.826  -6.340 -10.224
   14    H    ASP   3           H        ASP   3  -2.755  -2.281  -6.982
   15    HA   ASP   3           HA       ASP   3  -2.994  -3.902  -4.541
   16   1HB   ASP   3          HB2       ASP   3  -1.663  -1.751  -4.030
   17   2HB   ASP   3          HB3       ASP   3  -3.145  -0.880  -4.491
   18    H    ARG   4           H        ARG   4  -5.322  -2.324  -3.650
   19    HA   ARG   4           HA       ARG   4  -7.318  -3.300  -5.507
   20   1HB   ARG   4          HB2       ARG   4  -7.673  -1.331  -3.197
   21   2HB   ARG   4          HB3       ARG   4  -8.928  -2.164  -4.067
   22   1HG   ARG   4          HG2       ARG   4  -8.908  -3.562  -2.368
   23   2HG   ARG   4          HG3       ARG   4  -7.584  -4.349  -3.215
   24   1HD   ARG   4          HD2       ARG   4  -6.900  -2.102  -1.300
   25   2HD   ARG   4          HD3       ARG   4  -7.551  -3.560  -0.595
   26    HE   ARG   4           HE       ARG   4  -4.943  -3.102  -1.649
   27   1HH1  ARG   4          1HH1      ARG   4  -7.210  -5.717  -1.070
   28   2HH1  ARG   4          2HH1      ARG   4  -5.988  -6.956  -0.942
   29   1HH2  ARG   4          1HH2      ARG   4  -3.377  -4.615  -1.515
   30   2HH2  ARG   4          2HH2      ARG   4  -3.670  -6.292  -1.222
   31    H    PHE   5           H        PHE   5  -5.930  -0.097  -4.824
   32    HA   PHE   5           HA       PHE   5  -6.732   0.916  -7.417
   33   1HB   PHE   5          HB2       PHE   5  -7.890   2.966  -6.331
   34   2HB   PHE   5          HB3       PHE   5  -8.780   1.478  -6.354
   35    HD1  PHE   5           HD1      PHE   5  -9.615   0.512  -4.317
   36    HD2  PHE   5           HD2      PHE   5  -6.618   3.605  -4.138
   37    HE1  PHE   5           HE1      PHE   5  -9.850   0.599  -1.842
   38    HE2  PHE   5           HE2      PHE   5  -6.859   3.678  -1.681
   39    HZ   PHE   5           HZ       PHE   5  -8.442   2.147  -0.510
   40    H    VAL   6           H        VAL   6  -4.353   0.313  -5.667
   41    HA   VAL   6           HA       VAL   6  -2.918   2.889  -5.901
   42    HB   VAL   6           HB       VAL   6  -3.318   1.088  -3.507
   43   1HG1  VAL   6          1HG1      VAL   6  -1.196   1.701  -2.494
   44   2HG1  VAL   6          2HG1      VAL   6  -0.912   0.717  -3.933
   45   3HG1  VAL   6          3HG1      VAL   6  -0.648   2.476  -4.008
   46   1HG2  VAL   6          1HG2      VAL   6  -4.223   3.436  -3.736
   47   2HG2  VAL   6          2HG2      VAL   6  -3.189   3.148  -2.327
   48   3HG2  VAL   6          3HG2      VAL   6  -2.526   3.995  -3.750
   49    H    TYR   7           H        TYR   7  -0.701   2.509  -6.327
   50    HA   TYR   7           HA       TYR   7   0.179  -0.057  -7.490
   51   1HB   TYR   7          HB2       TYR   7  -0.226   2.627  -8.898
   52   2HB   TYR   7          HB3       TYR   7   0.618   1.292  -9.625
   53    HD1  TYR   7           HD1      TYR   7  -0.909  -0.930  -9.961
   54    HD2  TYR   7           HD2      TYR   7  -2.525   2.903  -8.805
   55    HE1  TYR   7           HE1      TYR   7  -3.205  -1.701 -10.538
   56    HE2  TYR   7           HE2      TYR   7  -4.761   2.067  -9.131
   57    HH   TYR   7           HH       TYR   7  -6.070   0.362 -10.007
   58    H    THR   8           H        THR   8   2.509   0.810  -8.686
   59    HA   THR   8           HA       THR   8   3.694   2.816  -6.843
   60    HB   THR   8           HB       THR   8   5.829   1.267  -7.446
   61    HG1  THR   8           HG1      THR   8   4.951  -0.375  -8.457
   62   1HG2  THR   8          1HG2      THR   8   5.336   1.837  -5.210
   63   2HG2  THR   8          2HG2      THR   8   3.858   0.844  -5.175
   64   3HG2  THR   8          3HG2      THR   8   5.471   0.085  -5.251
   65    H    CYS   9           H        CYS   9   5.715   3.712  -7.790
   66    HA   CYS   9           HA       CYS   9   5.748   3.784 -10.777
   67   1HB   CYS   9          HB2       CYS   9   5.490   6.117  -9.924
   68   2HB   CYS   9          HB3       CYS   9   6.795   5.870  -8.770
   69    H    ASN  10           H        ASN  10   7.308   1.986 -10.915
   70    HA   ASN  10           HA       ASN  10   9.089   1.613  -8.679
   71   1HB   ASN  10          HB2       ASN  10   9.402  -0.413  -9.278
   72   2HB   ASN  10          HB3       ASN  10   8.054  -0.167 -10.391
   73   1HD2  ASN  10          2HD2      ASN  10   9.000   1.065 -12.581
   74   2HD2  ASN  10          1HD2      ASN  10  10.301   0.116 -13.251
   75    H    GLU  11           H        GLU  11   9.167   4.087 -10.765
   76    HA   GLU  11           HA       GLU  11  12.101   4.056 -10.824
   77   1HB   GLU  11          HB2       GLU  11  10.156   5.495 -12.476
   78   2HB   GLU  11          HB3       GLU  11  11.339   6.553 -11.731
   79   1HG   GLU  11          HG2       GLU  11  12.228   4.007 -13.123
   80   2HG   GLU  11          HG3       GLU  11  12.139   5.576 -13.936
   81    H    CYS  12           H        CYS  12   9.339   5.319  -9.098
   82    HA   CYS  12           HA       CYS  12  11.070   7.090  -7.442
   83   1HB   CYS  12          HB2       CYS  12   8.069   6.619  -7.310
   84   2HB   CYS  12          HB3       CYS  12   8.975   7.818  -6.410
   85    H    LYS  13           H        LYS  13   9.472   4.049  -7.569
   86    HA   LYS  13           HA       LYS  13   9.043   2.307  -6.228
   87   1HB   LYS  13          HB2       LYS  13  11.772   3.075  -5.082
   88   2HB   LYS  13          HB3       LYS  13  10.837   1.700  -4.486
   89   1HG   LYS  13          HG2       LYS  13  11.743   0.450  -6.028
   90   2HG   LYS  13          HG3       LYS  13  10.718   1.249  -7.193
   91   1HD   LYS  13          HD2       LYS  13  13.666   1.645  -6.638
   92   2HD   LYS  13          HD3       LYS  13  12.795   1.228  -8.127
   93   1HE   LYS  13          HE2       LYS  13  11.813   3.582  -8.017
   94   2HE   LYS  13          HE3       LYS  13  13.136   3.980  -6.917
   95   1HZ   LYS  13          HZ1       LYS  13  13.684   4.469  -9.214
   96   2HZ   LYS  13          HZ2       LYS  13  14.658   3.240  -8.736
   97   3HZ   LYS  13          HZ3       LYS  13  13.335   2.974  -9.685
   98    H    HIS  14           H        HIS  14   7.651   4.417  -5.950
   99    HA   HIS  14           HA       HIS  14   6.878   4.393  -3.118
  100   1HB   HIS  14          HB2       HIS  14   8.110   6.456  -3.434
  101   2HB   HIS  14          HB3       HIS  14   7.246   6.803  -4.926
  102    HD2  HIS  14           HD2      HIS  14   5.312   8.448  -4.679
  103    HE1  HIS  14           HE1      HIS  14   3.993   7.518  -0.755
  104    HE2  HIS  14           HE2      HIS  14   3.555   8.939  -2.821
  105    H    HIS  15           H        HIS  15   4.607   5.077  -2.926
  106    HA   HIS  15           HA       HIS  15   2.990   3.609  -4.812
  107   1HB   HIS  15          HB2       HIS  15   2.378   5.083  -2.238
  108   2HB   HIS  15          HB3       HIS  15   1.116   4.351  -3.240
  109    HD2  HIS  15           HD2      HIS  15   1.439   1.644  -3.873
  110    HE1  HIS  15           HE1      HIS  15   3.375   0.802  -0.175
  111    HE2  HIS  15           HE2      HIS  15   2.221  -0.242  -2.188
  112    H    VAL  16           H        VAL  16   1.338   4.311  -6.044
  113    HA   VAL  16           HA       VAL  16   0.769   7.169  -6.467
  114    HB   VAL  16           HB       VAL  16   1.150   6.977  -8.880
  115   1HG1  VAL  16          1HG1      VAL  16   3.198   7.501  -7.645
  116   2HG1  VAL  16          2HG1      VAL  16   3.582   5.776  -7.484
  117   3HG1  VAL  16          3HG1      VAL  16   3.534   6.487  -9.069
  118   1HG2  VAL  16          1HG2      VAL  16   1.808   4.009  -8.438
  119   2HG2  VAL  16          2HG2      VAL  16   0.418   4.695  -9.315
  120   3HG2  VAL  16          3HG2      VAL  16   2.037   4.946  -9.928
  121    H    GLU  17           H        GLU  17  -1.389   7.308  -7.772
  122    HA   GLU  17           HA       GLU  17  -3.127   4.962  -7.143
  123   1HB   GLU  17          HB2       GLU  17  -4.922   6.750  -7.687
  124   2HB   GLU  17          HB3       GLU  17  -4.160   6.737  -6.107
  125   1HG   GLU  17          HG2       GLU  17  -4.472   9.028  -6.988
  126   2HG   GLU  17          HG3       GLU  17  -2.777   8.606  -6.638
  127    H    THR  18           H        THR  18  -1.672   6.780  -9.682
  128    HA   THR  18           HA       THR  18  -2.981   5.040 -11.691
  129    HB   THR  18           HB       THR  18  -2.432   8.053 -11.759
  130    HG1  THR  18           HG1      THR  18  -4.247   7.918 -10.798
  131   1HG2  THR  18          1HG2      THR  18  -3.074   6.098 -13.981
  132   2HG2  THR  18          2HG2      THR  18  -4.012   7.609 -13.908
  133   3HG2  THR  18          3HG2      THR  18  -2.245   7.665 -14.028
  134    H    ARG  19           H        ARG  19  -1.514   4.146 -13.133
  135    HA   ARG  19           HA       ARG  19   1.226   5.242 -13.254
  136   1HB   ARG  19          HB2       ARG  19   2.352   3.172 -12.819
  137   2HB   ARG  19          HB3       ARG  19   1.272   3.439 -11.456
  138   1HG   ARG  19          HG2       ARG  19  -0.338   1.835 -12.408
  139   2HG   ARG  19          HG3       ARG  19   0.696   1.625 -13.839
  140   1HD   ARG  19          HD2       ARG  19   2.239   0.330 -12.811
  141   2HD   ARG  19          HD3       ARG  19   1.775   0.782 -11.181
  142    HE   ARG  19           HE       ARG  19  -0.516  -0.306 -11.913
  143   1HH1  ARG  19          1HH2      ARG  19   2.712  -1.773 -12.153
  144   2HH1  ARG  19          2HH2      ARG  19   2.148  -3.293 -12.668
  145   1HH2  ARG  19          2HH1      ARG  19  -1.255  -2.434 -12.734
  146   2HH2  ARG  19          1HH1      ARG  19  -0.043  -3.640 -12.997
  147    H    TRP  20           H        TRP  20   2.530   4.036 -14.817
  148    HA   TRP  20           HA       TRP  20   1.127   2.991 -17.230
  149   1HB   TRP  20          HB2       TRP  20   3.816   4.333 -16.825
  150   2HB   TRP  20          HB3       TRP  20   3.282   3.630 -18.349
  151    HD1  TRP  20           HD1      TRP  20   2.699   6.591 -16.077
  152    HE1  TRP  20           HE1      TRP  20   1.054   8.251 -17.118
  153    HE3  TRP  20           HE3      TRP  20   1.408   3.939 -20.230
  154    HZ2  TRP  20           HZ2      TRP  20  -0.654   8.393 -19.421
  155    HZ3  TRP  20           HZ3      TRP  20  -0.217   4.869 -21.886
  156    HH2  TRP  20           HH2      TRP  20  -1.299   7.081 -21.437
  157    H    HIS  21           H        HIS  21   1.853   0.855 -17.669
  158    HA   HIS  21           HA       HIS  21   3.804  -0.370 -15.750
  159   1HB   HIS  21          HB2       HIS  21   1.909  -0.871 -14.677
  160   2HB   HIS  21          HB3       HIS  21   0.880  -0.864 -16.087
  161    HD2  HIS  21           HD2      HIS  21   3.929  -3.239 -16.150
  162    HE1  HIS  21           HE1      HIS  21   0.476  -5.622 -15.547
  163    HE2  HIS  21           HE2      HIS  21   2.972  -5.658 -15.991
  164    H    CYS  22           H        CYS  22   5.312  -1.328 -16.834
  165    HA   CYS  22           HA       CYS  22   5.366  -1.873 -19.655
  166   1HB   CYS  22          HB2       CYS  22   7.037  -2.024 -17.180
  167   2HB   CYS  22          HB3       CYS  22   7.450  -3.201 -18.379
  168    H    THR  23           H        THR  23   4.446  -3.450 -20.623
  169    HA   THR  23           HA       THR  23   3.962  -6.011 -19.167
  170    HB   THR  23           HB       THR  23   2.308  -6.552 -20.997
  171    HG1  THR  23           HG1      THR  23   3.274  -4.250 -22.002
  172   1HG2  THR  23          1HG2      THR  23   1.937  -4.043 -19.408
  173   2HG2  THR  23          2HG2      THR  23   0.625  -5.160 -19.968
  174   3HG2  THR  23          3HG2      THR  23   1.771  -5.707 -18.759
  175    H    VAL  24           H        VAL  24   6.354  -4.893 -20.460
  176    HA   VAL  24           HA       VAL  24   7.412  -6.984 -22.211
  177    HB   VAL  24           HB       VAL  24   7.558  -4.719 -22.976
  178   1HG1  VAL  24          1HG1      VAL  24   7.032  -3.053 -21.713
  179   2HG1  VAL  24          2HG1      VAL  24   7.523  -3.833 -20.226
  180   3HG1  VAL  24          3HG1      VAL  24   8.738  -3.015 -21.160
  181   1HG2  VAL  24          1HG2      VAL  24   9.932  -4.108 -22.944
  182   2HG2  VAL  24          2HG2      VAL  24  10.191  -5.078 -21.502
  183   3HG2  VAL  24          3HG2      VAL  24   9.816  -5.888 -23.034
  184    H    CYS  25           H        CYS  25   8.376  -4.930 -19.479
  185    HA   CYS  25           HA       CYS  25  10.216  -6.758 -18.271
  186   1HB   CYS  25          HB2       CYS  25   8.870  -4.278 -17.140
  187   2HB   CYS  25          HB3       CYS  25  10.463  -4.892 -16.690
  188    H    GLU  26           H        GLU  26   9.969  -6.972 -15.777
  189    HA   GLU  26           HA       GLU  26   7.640  -8.636 -15.278
  190   1HB   GLU  26          HB2       GLU  26  10.351  -8.693 -14.578
  191   2HB   GLU  26          HB3       GLU  26   9.569  -8.295 -13.060
  192   1HG   GLU  26          HG2       GLU  26   7.967 -10.229 -13.539
  193   2HG   GLU  26          HG3       GLU  26   8.999 -10.641 -14.907
  194    H    ASP  27           H        ASP  27   6.125  -6.889 -15.474
  195    HA   ASP  27           HA       ASP  27   4.626  -5.361 -14.650
  196   1HB   ASP  27          HB2       ASP  27   4.016  -7.297 -13.330
  197   2HB   ASP  27          HB3       ASP  27   5.203  -6.879 -12.081
  198    H    TYR  28           H        TYR  28   7.195  -4.434 -14.912
  199    HA   TYR  28           HA       TYR  28   8.026  -2.615 -12.864
  200   1HB   TYR  28          HB2       TYR  28   9.440  -3.493 -14.723
  201   2HB   TYR  28          HB3       TYR  28   8.380  -2.741 -15.887
  202    HD1  TYR  28           HD1      TYR  28  11.405  -2.370 -14.019
  203    HD2  TYR  28           HD2      TYR  28   8.250  -0.170 -15.989
  204    HE1  TYR  28           HE1      TYR  28  12.874  -0.373 -14.173
  205    HE2  TYR  28           HE2      TYR  28   9.701   1.811 -16.131
  206    HH   TYR  28           HH       TYR  28  11.695   2.706 -15.576
  207    H    ASP  29           H        ASP  29   7.394  -0.488 -12.494
  208    HA   ASP  29           HA       ASP  29   5.020   0.504 -14.061
  209   1HB   ASP  29          HB2       ASP  29   5.557   1.518 -11.290
  210   2HB   ASP  29          HB3       ASP  29   4.041   1.257 -12.101
  211    H    LEU  30           H        LEU  30   4.704   2.812 -14.109
  212    HA   LEU  30           HA       LEU  30   6.794   4.505 -12.987
  213   1HB   LEU  30          HB2       LEU  30   5.867   4.583 -15.890
  214   2HB   LEU  30          HB3       LEU  30   6.775   5.863 -15.071
  215    HG   LEU  30           HG       LEU  30   7.749   3.022 -15.622
  216   1HD1  LEU  30          1HD1      LEU  30   9.307   4.132 -17.166
  217   2HD1  LEU  30          2HD1      LEU  30   7.625   4.457 -17.628
  218   3HD1  LEU  30          3HD1      LEU  30   8.581   5.695 -16.794
  219   1HD2  LEU  30          1HD2      LEU  30   9.408   5.348 -14.607
  220   2HD2  LEU  30          2HD2      LEU  30   8.762   4.125 -13.513
  221   3HD2  LEU  30          3HD2      LEU  30   9.883   3.628 -14.768
  222    H    CYS  31           H        CYS  31   5.897   6.415 -12.140
  223    HA   CYS  31           HA       CYS  31   3.059   6.975 -12.375
  224   1HB   CYS  31          HB2       CYS  31   3.659   9.071 -11.299
  225   2HB   CYS  31          HB3       CYS  31   4.329   7.723 -10.394
  226    H    ILE  32           H        ILE  32   2.372   9.100 -13.228
  227    HA   ILE  32           HA       ILE  32   2.737   9.215 -15.959
  228    HB   ILE  32           HB       ILE  32   1.891  11.517 -14.136
  229   1HG1  ILE  32          2HG1      ILE  32   0.458   9.622 -13.548
  230   2HG1  ILE  32          3HG1      ILE  32  -0.435  10.862 -14.398
  231   1HG2  ILE  32          1HG2      ILE  32   1.471  10.966 -17.080
  232   2HG2  ILE  32          2HG2      ILE  32   0.526  12.164 -16.144
  233   3HG2  ILE  32          3HG2      ILE  32   2.303  12.327 -16.302
  234   1HD1  ILE  32          1HD1      ILE  32  -1.273   8.962 -15.358
  235   2HD1  ILE  32          2HD1      ILE  32  -0.070   9.408 -16.539
  236   3HD1  ILE  32          3HD1      ILE  32   0.296   8.113 -15.349
  237    H    ASN  33           H        ASN  33   4.462  11.056 -13.457
  238    HA   ASN  33           HA       ASN  33   5.826  12.845 -15.274
  239   1HB   ASN  33          HB2       ASN  33   5.706  13.483 -12.923
  240   2HB   ASN  33          HB3       ASN  33   6.375  11.946 -12.395
  241   1HD2  ASN  33          2HD2      ASN  33   8.664  11.565 -12.433
  242   2HD2  ASN  33          1HD2      ASN  33   9.764  12.900 -12.759
  243    H    CYS  34           H        CYS  34   6.762   9.736 -13.778
  244    HA   CYS  34           HA       CYS  34   9.401   9.851 -14.916
  245   1HB   CYS  34          HB2       CYS  34   7.758   7.722 -13.499
  246   2HB   CYS  34          HB3       CYS  34   9.330   7.363 -14.235
  247    H    TYR  35           H        TYR  35   6.319   8.305 -15.903
  248    HA   TYR  35           HA       TYR  35   7.320   6.968 -18.219
  249   1HB   TYR  35          HB2       TYR  35   5.094   6.568 -17.366
  250   2HB   TYR  35          HB3       TYR  35   4.627   8.240 -17.656
  251    HD1  TYR  35           HD1      TYR  35   6.079   5.287 -19.541
  252    HD2  TYR  35           HD2      TYR  35   3.373   8.664 -19.614
  253    HE1  TYR  35           HE1      TYR  35   5.277   4.583 -21.736
  254    HE2  TYR  35           HE2      TYR  35   2.564   7.952 -21.830
  255    HH   TYR  35           HH       TYR  35   3.766   4.990 -23.434
  256    H    ASN  36           H        ASN  36   6.227  10.318 -17.701
  257    HA   ASN  36           HA       ASN  36   6.563  11.341 -20.302
  258   1HB   ASN  36          HB2       ASN  36   6.261  12.411 -17.561
  259   2HB   ASN  36          HB3       ASN  36   7.129  13.497 -18.598
  260   1HD2  ASN  36          2HD2      ASN  36   4.059  11.908 -18.069
  261   2HD2  ASN  36          1HD2      ASN  36   3.136  12.937 -19.181
  262    H    THR  37           H        THR  37   8.866  11.542 -17.501
  263    HA   THR  37           HA       THR  37  10.872  12.746 -19.255
  264    HB   THR  37           HB       THR  37  12.116  13.019 -17.092
  265    HG1  THR  37           HG1      THR  37   9.736  12.204 -15.840
  266   1HG2  THR  37          1HG2      THR  37  10.619  14.790 -17.946
  267   2HG2  THR  37          2HG2      THR  37   9.236  14.066 -17.095
  268   3HG2  THR  37          3HG2      THR  37  10.599  14.741 -16.182
  269    H    LYS  38           H        LYS  38  10.572   9.654 -17.559
  270    HA   LYS  38           HA       LYS  38  13.349   8.925 -18.200
  271   1HB   LYS  38          HB2       LYS  38  11.179   7.073 -17.189
  272   2HB   LYS  38          HB3       LYS  38  12.909   6.881 -17.012
  273   1HG   LYS  38          HG2       LYS  38  11.269   9.066 -15.629
  274   2HG   LYS  38          HG3       LYS  38  11.697   7.534 -14.906
  275   1HD   LYS  38          HD2       LYS  38  14.093   8.142 -14.962
  276   2HD   LYS  38          HD3       LYS  38  13.698   9.602 -15.868
  277   1HE   LYS  38          HE2       LYS  38  14.034  10.121 -13.496
  278   2HE   LYS  38          HE3       LYS  38  12.367  10.478 -14.030
  279   1HZ   LYS  38          HZ1       LYS  38  12.533   9.305 -11.827
  280   2HZ   LYS  38          HZ2       LYS  38  11.666   8.471 -12.922
  281   3HZ   LYS  38          HZ3       LYS  38  13.201   8.025 -12.586
  282    H    SER  39           H        SER  39  10.542   9.167 -19.907
  283    HA   SER  39           HA       SER  39   9.550   8.139 -21.670
  284   1HB   SER  39          HB2       SER  39  12.348   8.562 -22.767
  285   2HB   SER  39          HB3       SER  39  10.820   8.729 -23.636
  286    HG   SER  39           HG       SER  39  10.347  10.483 -22.097
  287    H    HIS  40           H        HIS  40  10.125   5.999 -20.071
  288    HA   HIS  40           HA       HIS  40  11.551   3.860 -21.345
  289   1HB   HIS  40          HB2       HIS  40  10.660   4.325 -18.892
  290   2HB   HIS  40          HB3       HIS  40   9.221   3.463 -19.468
  291    HD1  HIS  40           HD1      HIS  40  12.690   2.872 -18.082
  292    HD2  HIS  40           HD2      HIS  40   9.667   0.772 -20.141
  293    HE1  HIS  40           HE1      HIS  40  13.035   0.431 -17.552
  294    H    THR  41           H        THR  41  11.016   3.696 -23.420
  295    HA   THR  41           HA       THR  41   8.443   4.154 -24.447
  296    HB   THR  41           HB       THR  41  10.531   2.839 -26.157
  297    HG1  THR  41           HG1      THR  41  11.115   5.130 -24.641
  298   1HG2  THR  41          1HG2      THR  41   9.109   5.519 -26.304
  299   2HG2  THR  41          2HG2      THR  41  10.194   4.860 -27.552
  300   3HG2  THR  41          3HG2      THR  41   8.649   4.047 -27.196
  301    H    HIS  42           H        HIS  42   8.873   1.283 -22.831
  302    HA   HIS  42           HA       HIS  42   8.527  -0.519 -25.026
  303   1HB   HIS  42          HB2       HIS  42   8.107  -0.958 -22.094
  304   2HB   HIS  42          HB3       HIS  42   8.432  -2.179 -23.377
  305    HD2  HIS  42           HD2      HIS  42  10.982  -0.605 -24.714
  306    HE1  HIS  42           HE1      HIS  42  12.666  -1.115 -20.835
  307    HE2  HIS  42           HE2      HIS  42  13.185  -0.632 -23.283
  308    H    LYS  43           H        LYS  43   6.862  -2.300 -24.781
  309    HA   LYS  43           HA       LYS  43   4.268  -1.198 -25.283
  310   1HB   LYS  43          HB2       LYS  43   5.378  -3.225 -26.332
  311   2HB   LYS  43          HB3       LYS  43   4.977  -4.147 -24.890
  312   1HG   LYS  43          HG2       LYS  43   2.865  -2.553 -26.407
  313   2HG   LYS  43          HG3       LYS  43   3.412  -4.104 -27.018
  314   1HD   LYS  43          HD2       LYS  43   1.690  -4.955 -25.832
  315   2HD   LYS  43          HD3       LYS  43   2.781  -4.817 -24.460
  316   1HE   LYS  43          HE2       LYS  43   1.867  -2.455 -24.123
  317   2HE   LYS  43          HE3       LYS  43   0.682  -2.793 -25.393
  318   1HZ   LYS  43          HZ1       LYS  43  -0.246  -4.480 -24.023
  319   2HZ   LYS  43          HZ2       LYS  43   0.971  -4.287 -22.890
  320   3HZ   LYS  43          HZ3       LYS  43  -0.100  -3.082 -23.137
  321    H    MET  44           H        MET  44   3.355  -0.250 -23.591
  322    HA   MET  44           HA       MET  44   3.222  -1.582 -20.923
  323   1HB   MET  44          HB2       MET  44   3.254   1.302 -21.876
  324   2HB   MET  44          HB3       MET  44   2.674   0.879 -20.253
  325   1HG   MET  44          HG2       MET  44   4.653   0.066 -19.532
  326   2HG   MET  44          HG3       MET  44   5.401  -0.046 -21.125
  327   1HE   MET  44          HE1       MET  44   6.272   1.200 -18.047
  328   2HE   MET  44          HE2       MET  44   5.955   2.957 -17.894
  329   3HE   MET  44          HE3       MET  44   4.616   1.802 -17.901
  330    H    VAL  45           H        VAL  45   1.292  -0.644 -19.650
  331    HA   VAL  45           HA       VAL  45  -1.264  -0.454 -21.045
  332    HB   VAL  45           HB       VAL  45  -2.149  -1.691 -19.112
  333   1HG1  VAL  45          1HG1      VAL  45  -0.373  -3.376 -20.915
  334   2HG1  VAL  45          2HG1      VAL  45  -1.862  -3.895 -20.100
  335   3HG1  VAL  45          3HG1      VAL  45  -1.969  -2.681 -21.385
  336   1HG2  VAL  45          1HG2      VAL  45  -0.716  -3.361 -17.953
  337   2HG2  VAL  45          2HG2      VAL  45   0.710  -2.604 -18.641
  338   3HG2  VAL  45          3HG2      VAL  45  -0.342  -1.661 -17.584
  339    H    LYS  46           H        LYS  46  -2.734   0.563 -19.087
  340    HA   LYS  46           HA       LYS  46  -1.181   2.376 -17.379
  341   1HB   LYS  46          HB2       LYS  46  -1.510   3.500 -19.600
  342   2HB   LYS  46          HB3       LYS  46  -3.253   3.327 -19.425
  343   1HG   LYS  46          HG2       LYS  46  -1.445   4.915 -17.524
  344   2HG   LYS  46          HG3       LYS  46  -2.264   5.584 -18.933
  345   1HD   LYS  46          HD2       LYS  46  -4.472   4.774 -17.804
  346   2HD   LYS  46          HD3       LYS  46  -3.470   4.640 -16.351
  347   1HE   LYS  46          HE2       LYS  46  -4.265   6.814 -16.170
  348   2HE   LYS  46          HE3       LYS  46  -2.670   7.073 -16.934
  349   1HZ   LYS  46          HZ1       LYS  46  -5.360   7.262 -18.076
  350   2HZ   LYS  46          HZ2       LYS  46  -4.251   8.372 -17.955
  351   3HZ   LYS  46          HZ3       LYS  46  -4.026   7.206 -19.084
  352    H    TRP  47           H        TRP  47  -2.323   2.541 -15.483
  353    HA   TRP  47           HA       TRP  47  -5.155   1.606 -15.401
  354   1HB   TRP  47          HB2       TRP  47  -3.062   0.949 -13.309
  355   2HB   TRP  47          HB3       TRP  47  -4.697   0.336 -13.425
  356    HD1  TRP  47           HD1      TRP  47  -1.201  -0.463 -14.353
  357    HE1  TRP  47           HE1      TRP  47  -1.033  -2.499 -15.859
  358    HE3  TRP  47           HE3      TRP  47  -6.080  -0.765 -15.859
  359    HZ2  TRP  47           HZ2      TRP  47  -2.754  -3.983 -17.664
  360    HZ3  TRP  47           HZ3      TRP  47  -6.730  -2.387 -17.631
  361    HH2  TRP  47           HH2      TRP  47  -5.064  -3.997 -18.521
  362    H    GLY  48           H        GLY  48  -6.211   3.497 -14.804
  363   1HA   GLY  48          HA2       GLY  48  -4.786   5.310 -12.949
  364   2HA   GLY  48          HA3       GLY  48  -5.565   5.911 -14.440
  365    H    LEU  49           H        LEU  49  -5.927   6.339 -11.537
  366    HA   LEU  49           HA       LEU  49  -8.824   5.973 -11.466
  367   1HB   LEU  49          HB2       LEU  49  -6.909   4.962  -9.347
  368   2HB   LEU  49          HB3       LEU  49  -8.589   5.223  -8.993
  369    HG   LEU  49           HG       LEU  49  -7.556   3.334 -11.149
  370   1HD1  LEU  49          1HD1      LEU  49  -8.169   1.547  -9.640
  371   2HD1  LEU  49          2HD1      LEU  49  -7.063   2.688  -8.837
  372   3HD1  LEU  49          3HD1      LEU  49  -8.809   2.713  -8.463
  373   1HD2  LEU  49          1HD2      LEU  49  -9.844   4.107 -11.747
  374   2HD2  LEU  49          2HD2      LEU  49  -9.863   2.430 -11.229
  375   3HD2  LEU  49          3HD2      LEU  49 -10.423   3.691 -10.111
  376    H    GLY  50           H        GLY  50  -6.491   8.227 -11.516
  377   1HA   GLY  50          HA2       GLY  50  -8.208  10.110 -10.080
  378   2HA   GLY  50          HA3       GLY  50  -6.647   9.803  -9.292
  379    H    LEU  51           H        LEU  51  -4.735   9.952 -10.873
  380    HA   LEU  51           HA       LEU  51  -4.904  12.474 -12.432
  381   1HB   LEU  51          HB2       LEU  51  -2.614  10.867 -11.206
  382   2HB   LEU  51          HB3       LEU  51  -2.351  12.133 -12.405
  383    HG   LEU  51           HG       LEU  51  -3.364  13.821 -10.944
  384   1HD1  LEU  51          1HD1      LEU  51  -4.860  12.584  -9.529
  385   2HD1  LEU  51          2HD1      LEU  51  -3.537  11.569  -8.898
  386   3HD1  LEU  51          3HD1      LEU  51  -3.637  13.308  -8.485
  387   1HD2  LEU  51          1HD2      LEU  51  -1.447  13.911  -9.343
  388   2HD2  LEU  51          2HD2      LEU  51  -1.154  12.186  -9.624
  389   3HD2  LEU  51          3HD2      LEU  51  -0.910  13.381 -10.936
  390    H    ASP  52           H        ASP  52  -6.314  10.907 -13.879
  391    HA   ASP  52           HA       ASP  52  -4.928   8.833 -15.294
  392   1HB   ASP  52          HB2       ASP  52  -7.440   9.014 -14.931
  393   2HB   ASP  52          HB3       ASP  52  -7.470  10.220 -16.242