*HEADER    HYDROLASE                               10-JUL-06   2HLT              
*TITLE     SOLUTION STRUCTURE OF BACILLUS SUBTILIS ACYLPHOSPHATASE               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROBABLE ACYLPHOSPHATASE;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACYLPHOSPHATE PHOSPHOHYDROLASE;                             
*COMPND   5 EC: 3.6.1.7;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-21A                                   
*KEYWDS    ALPHA/BETA SANDWICH, HYDROLASE                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.XIA, J.C.HU                                                         
*REVDAT   1   31-JUL-07 2HLT    0                                                

#
#    0 AMB  15-2:0       45 LEU  HN          4.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 724, 578,
 &end
#
#   33 TRP  HN           45 LEU  HN          4.50    (#      1:15  Unique         2.80, 2.89 A)
 &rst
  ixpk= 1, nxpk= 15, iat= 538, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:2       45 LEU  HN          5.50    (#      2:15  Single Ambig)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 906, 551,
 &end
#
#   34 VAL  HA           45 LEU  HN          4.50    (#      3:15  Unique         3.53, 3.56 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 564, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HA           45 LEU  HN          2.80    (#      4:15  Unique         2.25, 2.29 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 LEU  HA           45 LEU  HN          3.50    (#      5:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 5, nxpk= 15, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ILE  QG2          45 LEU  HN          3.50    (#      6:15  Unique         2.49, 3.35 A)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 730, 731, 732,
 &end
#
#   45 LEU  HB+          45 LEU  HN          3.50    (#      7:15  Unique         2.97, 3.07 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#   45 LEU  HB-          45 LEU  HN          3.50    (#      8:15  Unique         2.97, 3.07 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#   33 TRP  HD1          33 TRP  HE1         5.50    (#     12:15  Unique         2.56, 2.56 A)
 &rst
  ixpk= 12, nxpk= 15, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU  QD-          33 TRP  HE1         3.50    (#     14:15  Unique         3.88, 5.41 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  QD+          33 TRP  HE1         4.50    (#     15:15  Unique         3.88, 5.41 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   44 ILE  HN            6 ILE  HN          3.50    (#     16:15  Unique         2.74, 2.79 A)
 &rst
  ixpk= 16, nxpk= 15, iat= 724, 102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HA            6 ILE  HN          2.80    (#     17:15  Unique         2.29, 2.32 A)
 &rst
  ixpk= 17, nxpk= 15, iat=  80, 102, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:18       6 ILE  HN          2.80    (#     18:15  Single Ambig)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 728, 106,
 &end
#
#    6 ILE  HG1+          6 ILE  HN          3.50    (#     19:15  Unique         2.87, 3.58 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    0 AMB  15-2:20       6 ILE  HN          4.50    (#     20:15  Single Ambig)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 730, 731, 732, 131, 132, 734, 735,
 &end
#
#    6 ILE  QD1           6 ILE  HN          4.50    (#     21:15  Unique         4.10, 4.78 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#    0 AMB  15-2:22       6 ILE  HN          4.50    (#     22:15  Single Ambig)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 108, 109, 110, 146, 147, 148, 150, 151, 152,
 &end
#
#   68 LYS  HA           69 VAL  HN          2.80    (#     23:15  Unique         2.23, 2.26 A)
 &rst
  ixpk= 23, nxpk= 15, iat=1072,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 VAL  HA           69 VAL  HN          3.50    (#     24:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 24, nxpk= 15, iat=1094,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HB           69 VAL  HN          2.80    (#     25:15  Unique         2.34, 2.49 A)
 &rst
  ixpk= 25, nxpk= 15, iat=1096,1092, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:26      69 VAL  HN          2.80    (#     26:15  Single Ambig)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   43 GLU  HA           43 GLU  HN          3.50    (#     27:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 27, nxpk= 15, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 VAL  HA           43 GLU  HN          2.80    (#     28:15  Unique         2.20, 2.22 A)
 &rst
  ixpk= 28, nxpk= 15, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 GLU  HB+          43 GLU  HN          3.50    (#     29:15  Unique         2.44, 2.90 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
#   37 ARG  HB2          43 GLU  HN          5.50    (#     30:15  Unique         4.96, 5.36 A)
 &rst
  ixpk= 30, nxpk= 15, iat= 618, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:31      43 GLU  HN          4.50    (#     31:15  Single Ambig)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 697, 582,
 &end
#
#    0 AMB  15-2:32      43 GLU  HN          4.50    (#     32:15  Single Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586, 621, 622,
 &end
#
#    0 AMB  15-2:33      43 GLU  HN          2.80    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   35 LYS  HN           43 GLU  HN          4.50    (#     34:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 34, nxpk= 15, iat= 578, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  HN            8 VAL  HN          3.50    (#     35:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 35, nxpk= 15, iat= 693, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ILE  HA            8 VAL  HN          2.80    (#     36:15  Unique         2.23, 2.26 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 VAL  HA            8 VAL  HN          3.50    (#     37:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 37, nxpk= 15, iat= 142, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  HB            8 VAL  HN          3.50    (#     38:15  Unique         2.78, 2.85 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 144, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:39       8 VAL  HN          3.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 673, 674, 125,
 &end
#
#    0 AMB  15-2:40       8 VAL  HN          3.50    (#     40:15  Single Ambig)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705, 734, 735,
 &end
#
#    8 VAL  QG-           8 VAL  HN          2.80    (#     41:15  Unique         2.70, 4.15 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    7 ILE  QG2           8 VAL  HN          3.50    (#     42:15  Unique         2.48, 3.25 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 127, 128, 129,
 &end
#
#   43 GLU  HA            8 VAL  HN          4.50    (#     43:15  Unique         3.65, 3.79 A)
 &rst
  ixpk= 43, nxpk= 15, iat= 711, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  QG+           8 VAL  HN          4.50    (#     44:15  Unique         2.70, 4.15 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   70 THR  HN           11 ARG  HN          5.50    (#     45:15  Unique         4.35, 4.49 A)
 &rst
  ixpk= 45, nxpk= 15, iat=1108, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LYS  HN           11 ARG  HN          4.50    (#     46:15  Unique         3.28, 3.40 A)
 &rst
  ixpk= 46, nxpk= 15, iat=1070, 175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 GLY  HA+          11 ARG  HN          2.80    (#     47:15  Unique         2.23, 2.57 A)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 170, 171,
 &end
#
#   11 ARG  HA           11 ARG  HN          3.50    (#     48:15  Unique         2.95, 2.96 A)
 &rst
  ixpk= 48, nxpk= 15, iat= 177, 175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 VAL  HA           11 ARG  HN          5.50    (#     49:15  Unique         3.69, 3.84 A)
 &rst
  ixpk= 49, nxpk= 15, iat=1094, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 GLY  HA-          11 ARG  HN          2.80    (#     50:15  Unique         2.23, 2.57 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 170, 171,
 &end
#
#   11 ARG  HB+          11 ARG  HN          3.50    (#     51:15  Unique         2.32, 2.60 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 180,
 &end
#
#    0 AMB  15-2:52      11 ARG  HN          2.80    (#     52:15  Single Ambig)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,1074,1075,
 &end
#
#   70 THR  QG2          11 ARG  HN          4.50    (#     53:15  Unique         3.06, 4.15 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1114,1115,1116,
 &end
#
#   12 VAL  QG+          11 ARG  HN          3.50    (#     54:15  Unique         3.37, 5.06 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#     55:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 55, nxpk= 15, iat= 764, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HA           46 ALA  HN          4.50    (#     56:15  Unique         3.48, 3.62 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  80, 762, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:58      46 ALA  HN          4.50    (#     58:15  Single Ambig)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 750, 730, 731, 732,
 &end
#
#   46 ALA  QB           46 ALA  HN          2.80    (#     59:15  Unique         2.79, 3.42 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 766, 767, 768,
 &end
#
#   45 LEU  QD-          46 ALA  HN          4.50    (#     60:15  Unique         2.25, 4.53 A)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#    4 TYR  HN           46 ALA  HN          3.50    (#     61:15  Unique         2.77, 2.84 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  57, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  HN           89 VAL  HN          3.50    (#     62:15  Unique         3.14, 3.36 A)
 &rst
  ixpk= 62, nxpk= 15, iat= 562,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ILE  HA           89 VAL  HN          2.80    (#     63:15  Unique         2.13, 2.19 A)
 &rst
  ixpk= 63, nxpk= 15, iat=1387,1404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 VAL  HA           89 VAL  HN          3.50    (#     64:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 64, nxpk= 15, iat=1406,1404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  HB           89 VAL  HN          4.50    (#     65:15  Unique         2.22, 2.90 A)
 &rst
  ixpk= 65, nxpk= 15, iat=1408,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  QG+          89 VAL  HN          3.50    (#     66:15  Unique         3.38, 5.08 A)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   89 VAL  QG+          89 VAL  HN          4.50    (#     67:15  Unique         2.37, 3.78 A)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  QG-          89 VAL  HN          3.50    (#     68:15  Unique         2.37, 3.78 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   88 ILE  QG2          89 VAL  HN          3.50    (#     69:15  Unique         2.91, 3.62 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1391,1392,1393,
 &end
#
#   35 LYS  HA           89 VAL  HN          4.50    (#     70:15  Unique         3.23, 3.36 A)
 &rst
  ixpk= 70, nxpk= 15, iat= 580,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 LEU  QD+          46 ALA  HN          3.50    (#     71:15  Unique         2.25, 4.53 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#    4 TYR  QD            4 TYR  HN          5.50    (#     73:15  Unique         2.95, 4.08 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  74,
 &end
#
#    4 TYR  HA            4 TYR  HN          3.50    (#     74:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  59,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HA            4 TYR  HN          2.80    (#     75:15  Unique         2.22, 2.28 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  42,  57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:76       4 TYR  HN          4.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 779, 780,  44,
 &end
#
#   46 ALA  QB            4 TYR  HN          4.50    (#     77:15  Unique         3.82, 4.80 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 766, 767, 768,
 &end
#
#   46 ALA  HN            4 TYR  HN          3.50    (#     78:15  Unique         2.77, 2.84 A)
 &rst
  ixpk= 78, nxpk= 15, iat= 762,  57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 TYR  HB2           4 TYR  HN          5.50    (#     80:15  Unique         2.52, 3.74 A)
 &rst
  ixpk= 80, nxpk= 15, iat=  61,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 TYR  HB3           4 TYR  HN          5.50    (#     81:15  Unique         3.34, 3.45 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  62,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 GLN  HG-           4 TYR  HN          4.50    (#     82:15  Unique         2.47, 2.99 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    3 GLN  HG+           4 TYR  HN          3.50    (#     83:15  Unique         2.47, 2.99 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  47,  48,
 &end
#
#   53 LEU  QD+           4 TYR  HN          4.50    (#     84:15  Unique         2.78, 3.98 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-           4 TYR  HN          5.50    (#     85:15  Unique         2.78, 3.98 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   46 ALA  QB            4 TYR  HN          4.50    (#     86:15  Unique         3.82, 4.80 A)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 766, 767, 768,
 &end
#
#   75 THR  HB           76 GLU  HN          3.50    (#     88:15  Unique         3.22, 3.49 A)
 &rst
  ixpk= 88, nxpk= 15, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 GLU  HA           76 GLU  HN          3.50    (#     89:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 89, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 THR  HA           76 GLU  HN          2.80    (#     91:15  Unique         2.47, 2.50 A)
 &rst
  ixpk= 91, nxpk= 15, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 GLU  QB           76 GLU  HN          3.50    (#     92:15  Unique         2.59, 3.51 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1198,1199,
 &end
#
#   75 THR  QG2          76 GLU  HN          3.50    (#     93:15  Unique         2.16, 3.07 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1,1194, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1186,1187,1188,
 &end
#
#   73 SER  HN            7 ILE  HN          3.50    (#     94:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 94, nxpk= 15, iat=1153, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  HA            7 ILE  HN          2.80    (#     95:15  Unique         2.23, 2.26 A)
 &rst
  ixpk= 95, nxpk= 15, iat= 104, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 VAL  HA            7 ILE  HN          4.50    (#     96:15  Unique         3.72, 3.84 A)
 &rst
  ixpk= 96, nxpk= 15, iat=1166, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:97       7 ILE  HN          3.50    (#     97:15  Single Ambig)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1157,1158,1157,1158,
 &end
#
#    7 ILE  HG1-          7 ILE  HN          4.50    (#     98:15  Unique         2.86, 3.60 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 131, 132,
 &end
#
#    6 ILE  QG2           7 ILE  HN          2.80    (#     99:15  Unique         2.63, 3.28 A)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 108, 109, 110,
 &end
#
#    0 AMB  15-2:100      7 ILE  HN          3.50    (#    100:15  Single Ambig)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 134, 135, 136, 127, 128, 129,1170,1171,1172,1174,
      1175,1176,
 &end
#
#    7 ILE  HB            7 ILE  HN          3.50    (#    101:15  Unique         2.72, 2.81 A)
 &rst
  ixpk= 101, nxpk= 15, iat= 125, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ILE  HA           44 ILE  HN          4.50    (#    103:15  Unique         3.49, 3.59 A)
 &rst
  ixpk= 103, nxpk= 15, iat= 123, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HN           44 ILE  HN          3.50    (#    104:15  Unique         2.74, 2.79 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 102, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 GLU  HA           44 ILE  HN          2.80    (#    105:15  Unique         2.11, 2.15 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 711, 724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 GLU  HG-          44 ILE  HN          3.50    (#    106:15  Unique         2.59, 3.19 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   43 GLU  HG+          44 ILE  HN          3.50    (#    107:15  Unique         2.59, 3.19 A)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   44 ILE  HB           44 ILE  HN          2.80    (#    108:15  Unique         2.35, 2.64 A)
 &rst
  ixpk= 108, nxpk= 15, iat= 728, 724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ILE  QD1          44 ILE  HN          4.50    (#    109:15  Unique         2.32, 4.22 A)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 737, 738, 739,
 &end
#
#    7 ILE  QD1          44 ILE  HN          4.50    (#    110:15  Unique         3.14, 4.40 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 134, 135, 136,
 &end
#
#    0 AMB  15-2:111     74 VAL  HN          4.50    (#    111:15  Single Ambig)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1157,1158,1157,1158,
 &end
#
#   74 VAL  QG-          74 VAL  HN          2.80    (#    112:15  Unique         2.90, 4.24 A)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   73 SER  HA           74 VAL  HN          2.80    (#    113:15  Unique         2.35, 2.37 A)
 &rst
  ixpk= 113, nxpk= 15, iat=1155,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 VAL  HA           74 VAL  HN          3.50    (#    114:15  Unique         2.97, 2.97 A)
 &rst
  ixpk= 114, nxpk= 15, iat=1166,1164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 VAL  HB           74 VAL  HN          2.80    (#    115:15  Unique         2.70, 2.73 A)
 &rst
  ixpk= 115, nxpk= 15, iat=1168,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:116     74 VAL  HN          4.50    (#    116:15  Single Ambig)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1144,1145, 108, 109, 110,
 &end
#
#   74 VAL  QG+          74 VAL  HN          4.50    (#    117:15  Unique         2.90, 4.24 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   91 SER  HN           90 TYR  HN          3.50    (#    118:15  Unique         2.64, 2.73 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1441,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 TYR  HB2          90 TYR  HN          4.50    (#    119:15  Unique         2.36, 2.51 A)
 &rst
  ixpk= 119, nxpk= 15, iat=1424,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  QG-          90 TYR  HN          4.50    (#    120:15  Unique         2.88, 4.43 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   90 TYR  QD           90 TYR  HN          4.50    (#    121:15  Unique         2.33, 4.54 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1428,1437,
 &end
#
#   90 TYR  HA           90 TYR  HN          4.50    (#    122:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 122, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HA           90 TYR  HN          2.80    (#    123:15  Unique         2.20, 2.25 A)
 &rst
  ixpk= 123, nxpk= 15, iat=1406,1420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 VAL  HB           90 TYR  HN          4.50    (#    125:15  Unique         2.70, 3.64 A)
 &rst
  ixpk= 125, nxpk= 15, iat=1408,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  QG+          90 TYR  HN          3.50    (#    126:15  Unique         2.88, 4.43 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   15 VAL  HN           17 PHE  HN          4.50    (#    127:15  Unique         3.23, 3.35 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 239, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLY  HN           17 PHE  HN          3.50    (#    128:15  Unique         2.45, 2.81 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 255, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ARG  HN           17 PHE  HN          3.50    (#    129:15  Unique         2.73, 3.02 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 282, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLY  QA           17 PHE  HN          3.50    (#    130:15  Unique         3.02, 3.34 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 257, 258,
 &end
#
#   17 PHE  HB+          17 PHE  HN          3.50    (#    131:15  Unique         2.15, 2.49 A)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 266, 267,
 &end
#
#   17 PHE  HB-          17 PHE  HN          2.80    (#    132:15  Unique         2.15, 2.49 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 266, 267,
 &end
#
#   15 VAL  QG-          17 PHE  HN          3.50    (#    133:15  Unique         2.14, 4.80 A)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   43 GLU  HN           35 LYS  HN          5.50    (#    134:15  Unique         2.83, 2.92 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 709, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 VAL  HA           35 LYS  HN          2.80    (#    136:15  Unique         2.25, 2.29 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:137     35 LYS  HN          2.80    (#    137:15  Single Ambig)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 580, 726,
 &end
#
#    0 AMB  15-2:138     35 LYS  HN          5.50    (#    138:15  Single Ambig)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 566, 716, 717,
 &end
#
#   35 LYS  HB2          35 LYS  HN          5.50    (#    139:15  Unique         3.86, 3.96 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 582, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 LYS  HB3          35 LYS  HN          4.50    (#    140:15  Unique         3.22, 3.31 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 583, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HG+          35 LYS  HN          3.50    (#    141:15  Unique         2.47, 3.08 A)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#    0 AMB  15-2:142     35 LYS  HN          2.80    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 568, 569, 570, 572, 573, 574, 699, 700, 701, 703,
       704, 705,
 &end
#
#   71 ASP  HN            9 ASP  HN          3.50    (#    144:15  Unique         2.91, 2.99 A)
 &rst
  ixpk= 144, nxpk= 15, iat=1122, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:145      9 ASP  HN          2.80    (#    145:15  Single Ambig)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 158,1136,
 &end
#
#    8 VAL  HA            9 ASP  HN          2.80    (#    147:15  Unique         2.20, 2.25 A)
 &rst
  ixpk= 147, nxpk= 15, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ASP  HB3           9 ASP  HN          3.50    (#    148:15  Unique         2.57, 2.68 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 161, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HB2           9 ASP  HN          3.50    (#    149:15  Unique         2.92, 3.07 A)
 &rst
  ixpk= 149, nxpk= 15, iat= 160, 156, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  QG+           9 ASP  HN          3.50    (#    150:15  Unique         2.50, 4.29 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  15-2:151      9 ASP  HN          3.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#   86 PHE  HA           86 PHE  HN          3.50    (#    152:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 152, nxpk= 15, iat=1356,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ARG  HA           86 PHE  HN          3.50    (#    153:15  Unique         2.40, 2.51 A)
 &rst
  ixpk= 153, nxpk= 15, iat=1332,1354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HB3          86 PHE  HN          2.80    (#    154:15  Unique         2.53, 2.66 A)
 &rst
  ixpk= 154, nxpk= 15, iat=1359,1354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   86 PHE  HB2          86 PHE  HN          4.50    (#    155:15  Unique         2.77, 3.03 A)
 &rst
  ixpk= 155, nxpk= 15, iat=1358,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ARG  HB+          86 PHE  HN          2.80    (#    156:15  Unique         2.06, 3.02 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1334,1335,
 &end
#
#   85 ARG  HG-          86 PHE  HN          4.50    (#    157:15  Unique         2.96, 4.34 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1337,1338,
 &end
#
#   22 GLN  HA           25 ALA  HN          4.50    (#    159:15  Unique         3.13, 3.21 A)
 &rst
  ixpk= 159, nxpk= 15, iat= 365, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HA           80 LEU  HN          3.50    (#    161:15  Unique         2.15, 2.26 A)
 &rst
  ixpk= 161, nxpk= 15, iat=1246,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 SER  HB2          80 LEU  HN          4.50    (#    162:15  Unique         3.19, 3.81 A)
 &rst
  ixpk= 162, nxpk= 15, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  HG           80 LEU  HN          3.50    (#    163:15  Unique         2.34, 2.74 A)
 &rst
  ixpk= 163, nxpk= 15, iat=1262,1255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 LEU  QB           80 LEU  HN          3.50    (#    164:15  Unique         2.39, 3.22 A)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1259,1260,
 &end
#
#   80 LEU  HA           80 LEU  HN          4.50    (#    165:15  Unique         2.87, 2.92 A)
 &rst
  ixpk= 165, nxpk= 15, iat=1257,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HB3          80 LEU  HN          4.50    (#    166:15  Unique         2.35, 2.96 A)
 &rst
  ixpk= 166, nxpk= 15, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  QD+          80 LEU  HN          3.50    (#    167:15  Unique         2.02, 4.54 A)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  QD-          80 LEU  HN          4.50    (#    168:15  Unique         2.02, 4.54 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   51 ASN  HN           52 ALA  HN          2.80    (#    171:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 171, nxpk= 15, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LEU  HN           52 ALA  HN          2.80    (#    172:15  Unique         2.36, 2.42 A)
 &rst
  ixpk= 172, nxpk= 15, iat= 847, 837, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 ASN  HA           52 ALA  HN          3.50    (#    173:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 173, nxpk= 15, iat= 825, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ALA  HA           52 ALA  HN          3.50    (#    174:15  Unique         2.90, 2.92 A)
 &rst
  ixpk= 174, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  QB           52 ALA  HN          3.50    (#    175:15  Unique         2.84, 3.51 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 827, 828,
 &end
#
#   49 PRO  HG+          52 ALA  HN          5.50    (#    176:15  Unique         2.72, 3.83 A)
 &rst
  ixpk= 176, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 798, 799,
 &end
#
#   49 PRO  HG-          52 ALA  HN          3.50    (#    177:15  Unique         2.72, 3.83 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 798, 799,
 &end
#
#   52 ALA  QB           52 ALA  HN          2.80    (#    178:15  Unique         2.48, 2.95 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 841, 842, 843,
 &end
#
#   82 GLY  HN           81 GLU  HN          3.50    (#    180:15  Unique         1.95, 2.59 A)
 &rst
  ixpk= 180, nxpk= 15, iat=1289,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 LEU  HA           81 GLU  HN          3.50    (#    181:15  Unique         2.16, 2.31 A)
 &rst
  ixpk= 181, nxpk= 15, iat=1257,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  HA           81 GLU  HN          4.50    (#    182:15  Unique         2.41, 2.86 A)
 &rst
  ixpk= 182, nxpk= 15, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  QB           81 GLU  HN          3.50    (#    183:15  Unique         2.41, 3.28 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1278,1279,
 &end
#
#   80 LEU  QB           81 GLU  HN          3.50    (#    184:15  Unique         1.99, 3.19 A)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1259,1260,
 &end
#
#   49 PRO  HA           50 GLU  HN          2.80    (#    185:15  Unique         2.25, 2.30 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 GLU  HA           50 GLU  HN          3.50    (#    186:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 810, 808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PRO  HB+          50 GLU  HN          4.50    (#    187:15  Unique         3.02, 3.42 A)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 801, 802,
 &end
#
#   50 GLU  QB           50 GLU  HN          2.80    (#    188:15  Unique         2.39, 2.46 A)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
#   51 ASN  HN           50 GLU  HN          4.50    (#    189:15  Unique         2.79, 2.91 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 823, 808, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HG-          50 GLU  HN          5.50    (#    190:15  Unique         4.41, 4.45 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 816,
 &end
#
#   26 ASP  HN           25 ALA  HN          2.80    (#    191:15  Unique         2.40, 2.52 A)
 &rst
  ixpk= 191, nxpk= 15, iat= 422, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 GLU  HN           25 ALA  HN          2.80    (#    192:15  Unique         2.49, 2.54 A)
 &rst
  ixpk= 192, nxpk= 15, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 PHE  QD           25 ALA  HN          5.50    (#    193:15  Unique         3.61, 5.49 A)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 902, 910,
 &end
#
#   24 GLU  HA           25 ALA  HN          4.50    (#    194:15  Unique         3.50, 3.53 A)
 &rst
  ixpk= 194, nxpk= 15, iat= 399, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  HA           25 ALA  HN          3.50    (#    195:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 195, nxpk= 15, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HB2          25 ALA  HN          4.50    (#    197:15  Unique         2.91, 3.18 A)
 &rst
  ixpk= 197, nxpk= 15, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  QB           25 ALA  HN          2.80    (#    198:15  Unique         2.47, 2.92 A)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   87 SER  HB2          87 SER  HN          4.50    (#    199:15  Unique         2.65, 3.25 A)
 &rst
  ixpk= 199, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN           87 SER  HN          4.50    (#    200:15  Unique         3.84, 4.04 A)
 &rst
  ixpk= 200, nxpk= 15, iat= 531,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  HA           87 SER  HN          2.80    (#    201:15  Unique         2.20, 2.26 A)
 &rst
  ixpk= 201, nxpk= 15, iat=1356,1374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 SER  HA           87 SER  HN          3.50    (#    202:15  Unique         2.89, 2.97 A)
 &rst
  ixpk= 202, nxpk= 15, iat=1376,1374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HA           87 SER  HN          2.80    (#    203:15  Unique         2.12, 2.30 A)
 &rst
  ixpk= 203, nxpk= 15, iat= 540,1374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 SER  HB3          87 SER  HN          4.50    (#    204:15  Unique         3.19, 3.43 A)
 &rst
  ixpk= 204, nxpk= 15, iat=1379,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HB+          87 SER  HN          3.50    (#    205:15  Unique         3.02, 3.60 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 &end
#
#   33 TRP  HB-          87 SER  HN          3.50    (#    206:15  Unique         3.02, 3.60 A)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 542, 543,
 &end
#
#    4 TYR  HB2           5 ARG  HN          4.50    (#    207:15  Unique         2.29, 2.59 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  61,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 GLU  HA            5 ARG  HN          3.50    (#    208:15  Unique         3.28, 3.41 A)
 &rst
  ixpk= 208, nxpk= 15, iat=1196,  78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 THR  QG2          75 THR  HN          4.50    (#    209:15  Unique         4.59, 4.85 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1186,1187,1188,
 &end
#
#   57 VAL  HN           56 PHE  HN          2.80    (#    210:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 210, nxpk= 15, iat= 914, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 SER  HN           56 PHE  HN          2.80    (#    211:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 211, nxpk= 15, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HN           56 PHE  HN          5.50    (#    212:15  Unique         4.04, 4.11 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 930, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  QD           56 PHE  HN          4.50    (#    213:15  Unique         4.32, 4.73 A)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#    0 AMB  15-2:214     56 PHE  HN          3.50    (#    214:15  Single Ambig)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 885, 839,
 &end
#
#   56 PHE  HA           56 PHE  HN          2.80    (#    215:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 215, nxpk= 15, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LEU  HA           56 PHE  HN          4.50    (#    216:15  Unique         3.24, 3.36 A)
 &rst
  ixpk= 216, nxpk= 15, iat= 849, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HB3          56 PHE  HN          2.80    (#    217:15  Unique         2.21, 2.48 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 899, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 PHE  HB2          56 PHE  HN          3.50    (#    218:15  Unique         2.36, 2.46 A)
 &rst
  ixpk= 218, nxpk= 15, iat= 898, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD+          56 PHE  HN          4.50    (#    219:15  Unique         4.34, 6.25 A)
 &rst
  ixpk= 219, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    4 TYR  HA            5 ARG  HN          2.80    (#    220:15  Unique         2.23, 2.29 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ARG  HB3           0 AMB  15-1:221    3.50    (#    221:15  Single Ambig)
 &rst
  ixpk= 221, nxpk= 15, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  78,1180,
 &end
#
#    5 ARG  HB2           5 ARG  HN          4.50    (#    222:15  Unique         3.08, 3.19 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  82,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:224      0 AMB  15-1:224    3.50    (#    224:15  Double Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  80, 104,
 igr2=  78,1180,
 &end
#
#    4 TYR  HB3           5 ARG  HN          4.50    (#    225:15  Unique         2.60, 3.54 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  62,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 THR  HA           75 THR  HN          3.50    (#    227:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 227, nxpk= 15, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 THR  HB           75 THR  HN          3.50    (#    228:15  Unique         2.93, 2.99 A)
 &rst
  ixpk= 228, nxpk= 15, iat=1184,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 VAL  QG-          75 THR  HN          3.50    (#    229:15  Unique         2.60, 4.07 A)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  QG+          75 THR  HN          3.50    (#    230:15  Unique         2.60, 4.07 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 SER  HB-          78 ARG  HN          3.50    (#    231:15  Unique         2.43, 3.46 A)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1213,1214,
 &end
#
#   79 SER  HN           78 ARG  HN          2.80    (#    232:15  Unique         1.97, 2.47 A)
 &rst
  ixpk= 232, nxpk= 15, iat=1244,1220, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 SER  HA           78 ARG  HN          2.80    (#    233:15  Unique         2.18, 2.31 A)
 &rst
  ixpk= 233, nxpk= 15, iat=1211,1220, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   78 ARG  HA           78 ARG  HN          3.50    (#    234:15  Unique         2.89, 2.94 A)
 &rst
  ixpk= 234, nxpk= 15, iat=1222,1220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 SER  HB+          78 ARG  HN          4.50    (#    235:15  Unique         2.43, 3.46 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1213,1214,
 &end
#
#   78 ARG  HB+          78 ARG  HN          3.50    (#    236:15  Unique         2.26, 2.96 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1224,1225,
 &end
#
#   36 ASN  HA           36 ASN  HN          3.50    (#    237:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 237, nxpk= 15, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HA           36 ASN  HN          2.80    (#    238:15  Unique         2.33, 2.39 A)
 &rst
  ixpk= 238, nxpk= 15, iat= 580, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ARG  HD+          36 ASN  HN          4.50    (#    240:15  Unique         2.68, 3.20 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 292, 293,
 &end
#
#    0 AMB  15-2:241     36 ASN  HN          2.80    (#    241:15  Single Ambig)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 292, 293, 604,
 &end
#
#   36 ASN  HB3          36 ASN  HN          3.50    (#    242:15  Unique         2.16, 2.27 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 605, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HB2          36 ASN  HN          4.50    (#    243:15  Unique         2.53, 2.61 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HG+          36 ASN  HN          4.50    (#    244:15  Unique         4.49, 5.02 A)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 289, 290,
 &end
#
#    0 AMB  15-2:245     78 ARG  HN          2.80    (#    245:15  Single Ambig)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1227,1228,1224,1225,
 &end
#
#    8 VAL  HN           42 VAL  HN          3.50    (#    246:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 246, nxpk= 15, iat= 140, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  HA           42 VAL  HN          2.80    (#    247:15  Unique         2.35, 2.41 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 671, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ARG  HD-          42 VAL  HN          4.50    (#    248:15  Unique         3.65, 5.46 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 624, 625,
 &end
#
#    8 VAL  HB           42 VAL  HN          3.50    (#    249:15  Unique         3.11, 3.28 A)
 &rst
  ixpk= 249, nxpk= 15, iat= 144, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  QB           42 VAL  HN          2.80    (#    250:15  Unique         2.25, 3.05 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 673, 674,
 &end
#
#   42 VAL  HB           42 VAL  HN          2.80    (#    251:15  Unique         2.43, 2.57 A)
 &rst
  ixpk= 251, nxpk= 15, iat= 697, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:252     42 VAL  HN          2.80    (#    252:15  Single Ambig)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#    0 AMB  15-2:253     42 VAL  HN          5.50    (#    253:15  Single Ambig)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
 &end
#
#    7 ILE  QG2          42 VAL  HN          4.50    (#    254:15  Unique         3.82, 4.46 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 127, 128, 129,
 &end
#
#   12 VAL  QG-          42 VAL  HN          3.50    (#    255:15  Unique         2.97, 4.94 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#    1 MET  HB-           2 LEU  HN          3.50    (#    256:15  Unique         2.13, 3.18 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#    2 LEU  HG            2 LEU  HN          5.50    (#    257:15  Unique         4.42, 4.57 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  28,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:258      2 LEU  HN          4.50    (#    258:15  Single Ambig)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    2 LEU  HA            2 LEU  HN          3.50    (#    259:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 259, nxpk= 15, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HA            2 LEU  HN          2.80    (#    260:15  Unique         2.30, 2.47 A)
 &rst
  ixpk= 260, nxpk= 15, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    1 MET  HB+           2 LEU  HN          5.50    (#    261:15  Unique         2.13, 3.18 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=   8,   9,
 &end
#
#    2 LEU  HB-           2 LEU  HN          2.80    (#    262:15  Unique         2.56, 2.88 A)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  25,  26,
 &end
#
#   41 ARG  HG+          42 VAL  HN          4.50    (#    263:15  Unique         3.28, 3.91 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   45 LEU  HN           33 TRP  HN          3.50    (#    264:15  Unique         2.80, 2.89 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 743, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  QE           33 TRP  HN          3.50    (#    265:15  Unique         3.04, 4.35 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1364,1368,
 &end
#
#   46 ALA  HA           33 TRP  HN          4.50    (#    266:15  Unique         3.49, 3.56 A)
 &rst
  ixpk= 266, nxpk= 15, iat= 764, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HA+          33 TRP  HN          2.80    (#    267:15  Unique         2.23, 2.61 A)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 533, 534,
 &end
#
#   32 GLY  HA-          33 TRP  HN          2.80    (#    268:15  Unique         2.23, 2.61 A)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 533, 534,
 &end
#
#    0 AMB  15-2:269     42 VAL  HN          3.50    (#    269:15  Single Ambig)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   45 LEU  HB-          33 TRP  HN          3.50    (#    271:15  Unique         3.19, 4.07 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#    0 AMB  15-2:272     33 TRP  HN          4.50    (#    272:15  Single Ambig)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 562,1374,
 &end
#
#   45 LEU  HB+          33 TRP  HN          3.50    (#    273:15  Unique         3.19, 4.07 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#   49 PRO  HA            2 LEU  HN          4.50    (#    274:15  Unique         3.18, 3.41 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 804,  21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD-           2 LEU  HN          3.50    (#    275:15  Unique         3.50, 5.44 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   87 SER  HA           88 ILE  HN          2.80    (#    276:15  Unique         2.15, 2.22 A)
 &rst
  ixpk= 276, nxpk= 15, iat=1376,1385, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HA           88 ILE  HN          3.50    (#    277:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 277, nxpk= 15, iat=1387,1385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 SER  HB2          88 ILE  HN          4.50    (#    278:15  Unique         3.23, 3.40 A)
 &rst
  ixpk= 278, nxpk= 15, iat=1378,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HB3          88 ILE  HN          4.50    (#    279:15  Unique         2.76, 3.52 A)
 &rst
  ixpk= 279, nxpk= 15, iat=1379,1385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HG1-         88 ILE  HN          2.80    (#    280:15  Unique         2.40, 3.31 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1395,1396,
 &end
#
#   88 ILE  HB           88 ILE  HN          3.50    (#    281:15  Unique         2.38, 2.47 A)
 &rst
  ixpk= 281, nxpk= 15, iat=1389,1385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ILE  QD1          88 ILE  HN          3.50    (#    282:15  Unique         3.75, 4.44 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1398,1399,1400,
 &end
#
#   88 ILE  HG1+         88 ILE  HN          3.50    (#    283:15  Unique         2.40, 3.31 A)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HN          5.50    (#    284:15  Unique         4.30, 4.59 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1391,1392,1393,
 &end
#
#   13 GLN  HE2+         37 ARG  HN          3.50    (#    285:15  Unique         7.54, 8.29 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 227, 228,
 &end
#
#   37 ARG  HA           37 ARG  HN          3.50    (#    286:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 286, nxpk= 15, iat= 616, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB3          37 ARG  HN          5.50    (#    287:15  Unique         3.86, 4.25 A)
 &rst
  ixpk= 287, nxpk= 15, iat= 605, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG  HB3          37 ARG  HN          4.50    (#    288:15  Unique         3.56, 3.60 A)
 &rst
  ixpk= 288, nxpk= 15, iat= 619, 614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HG+          37 ARG  HN          4.50    (#    289:15  Unique         2.75, 3.54 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-2:290     37 ARG  HN          4.50    (#    290:15  Single Ambig)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   37 ARG  HE           37 ARG  HN          5.50    (#    291:15  Unique         4.75, 5.33 A)
 &rst
  ixpk= 291, nxpk= 15, iat= 627, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ASN  HA           37 ARG  HN          2.80    (#    292:15  Unique         2.19, 2.28 A)
 &rst
  ixpk= 292, nxpk= 15, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 VAL  HA           37 ARG  HN          3.50    (#    293:15  Unique         2.93, 3.14 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 695, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ARG  HB2          37 ARG  HN          2.80    (#    294:15  Unique         2.27, 2.37 A)
 &rst
  ixpk= 294, nxpk= 15, iat= 618, 614, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 ARG  HG-          37 ARG  HN          4.50    (#    295:15  Unique         2.75, 3.54 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   90 TYR  HN           91 SER  HN          3.50    (#    297:15  Unique         2.64, 2.73 A)
 &rst
  ixpk= 297, nxpk= 15, iat=1420,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 TYR  HA           91 SER  HN          3.50    (#    299:15  Unique         3.48, 3.51 A)
 &rst
  ixpk= 299, nxpk= 15, iat=1422,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 SER  HA           91 SER  HN          3.50    (#    300:15  Unique         2.72, 2.77 A)
 &rst
  ixpk= 300, nxpk= 15, iat=1443,1441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   91 SER  QB           91 SER  HN          3.50    (#    301:15  Unique         2.56, 3.08 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1445,1446,
 &end
#
#   90 TYR  HB2          91 SER  HN          4.50    (#    302:15  Unique         3.93, 4.05 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1424,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HB3          91 SER  HN          4.50    (#    303:15  Unique         2.84, 3.11 A)
 &rst
  ixpk= 303, nxpk= 15, iat=1425,1441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  QG+          91 SER  HN          3.50    (#    304:15  Unique         1.96, 4.57 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  15-2:305     73 SER  HN          4.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 104, 123,
 &end
#
#    7 ILE  HN           73 SER  HN          3.50    (#    306:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 306, nxpk= 15, iat= 121,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  HA           73 SER  HN          2.80    (#    307:15  Unique         2.27, 2.28 A)
 &rst
  ixpk= 307, nxpk= 15, iat=1136,1153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 SER  HA           73 SER  HN          3.50    (#    308:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 308, nxpk= 15, iat=1155,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:309     73 SER  HN          2.80    (#    309:15  Single Ambig)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1157,1158,1157,1158,
 &end
#
#    7 ILE  HB           73 SER  HN          3.50    (#    310:15  Unique         3.39, 3.51 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 125,1153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  HB           73 SER  HN          4.50    (#    311:15  Unique         4.05, 4.09 A)
 &rst
  ixpk= 311, nxpk= 15, iat=1138,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:312     73 SER  HN          3.50    (#    312:15  Single Ambig)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1140,1141,1142,1170,1171,1172,1174,1175,1176, 127,
       128, 129,
 &end
#
#   47 GLU  HN           31 ALA  HN          3.50    (#    313:15  Unique         2.55, 2.81 A)
 &rst
  ixpk= 313, nxpk= 15, iat= 772, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  HA           31 ALA  HN          3.50    (#    314:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 523, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HA           31 ALA  HN          2.80    (#    315:15  Unique         2.29, 2.39 A)
 &rst
  ixpk= 315, nxpk= 15, iat= 504, 521, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 GLU  QB           31 ALA  HN          5.50    (#    316:15  Unique         3.05, 4.11 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 776, 777,
 &end
#
#   31 ALA  QB           31 ALA  HN          2.80    (#    317:15  Unique         2.54, 3.18 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
#   30 LEU  HB2          31 ALA  HN          4.50    (#    318:15  Unique         3.49, 3.68 A)
 &rst
  ixpk= 318, nxpk= 15, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HB3          31 ALA  HN          3.50    (#    319:15  Unique         2.25, 2.44 A)
 &rst
  ixpk= 319, nxpk= 15, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD-          31 ALA  HN          3.50    (#    320:15  Unique         3.31, 4.89 A)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  15-2:321     59 ALA  HN          4.50    (#    321:15  Single Ambig)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 937, 938, 918,
 &end
#
#   58 GLU  QB           59 ALA  HN          2.80    (#    322:15  Unique         2.62, 3.14 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 934, 935,
 &end
#
#   60 VAL  HN           59 ALA  HN          2.80    (#    323:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 323, nxpk= 15, iat= 955, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HN           59 ALA  HN          2.80    (#    325:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 930, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  HA           59 ALA  HN          2.80    (#    326:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 326, nxpk= 15, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HA           59 ALA  HN          3.50    (#    328:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 328, nxpk= 15, iat= 932, 945, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LYS  HG+          59 ALA  HN          4.50    (#    330:15  Unique         4.64, 5.27 A)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   59 ALA  QB           59 ALA  HN          2.80    (#    331:15  Unique         2.51, 2.91 A)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#   25 ALA  HN           26 ASP  HN          2.80    (#    333:15  Unique         2.40, 2.52 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 412, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 LYS  HN           26 ASP  HN          2.80    (#    334:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 334, nxpk= 15, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           26 ASP  HN          2.80    (#    335:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HA           26 ASP  HN          3.50    (#    336:15  Unique         3.22, 3.26 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 382, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  HA           26 ASP  HN          4.50    (#    337:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HB2          26 ASP  HN          2.80    (#    338:15  Unique         2.37, 2.42 A)
 &rst
  ixpk= 338, nxpk= 15, iat= 426, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HB3          26 ASP  HN          3.50    (#    339:15  Unique         2.61, 2.67 A)
 &rst
  ixpk= 339, nxpk= 15, iat= 427, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  QB           26 ASP  HN          2.80    (#    340:15  Unique         2.46, 3.31 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   72 ILE  HG1+         73 SER  HN          3.50    (#    341:15  Unique         2.50, 2.72 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1144,1145,
 &end
#
#   72 ILE  HG1-         73 SER  HN          2.80    (#    342:15  Unique         2.50, 2.72 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1144,1145,
 &end
#
#   71 ASP  HB-          71 ASP  HN          3.50    (#    344:15  Unique         2.86, 3.24 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1126,1127,
 &end
#
#   70 THR  HN           71 ASP  HN          2.80    (#    345:15  Unique         1.92, 1.97 A)
 &rst
  ixpk= 345, nxpk= 15, iat=1108,1122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 ASP  HN           71 ASP  HN          3.50    (#    346:15  Unique         2.91, 2.99 A)
 &rst
  ixpk= 346, nxpk= 15, iat= 156,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HA           71 ASP  HN          4.50    (#    347:15  Unique         2.87, 2.88 A)
 &rst
  ixpk= 347, nxpk= 15, iat=1124,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  HA           71 ASP  HN          3.50    (#    348:15  Unique         3.49, 3.51 A)
 &rst
  ixpk= 348, nxpk= 15, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:349     71 ASP  HN          3.50    (#    349:15  Single Ambig)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1126,1127, 161,
 &end
#
#   70 THR  QG2          71 ASP  HN          4.50    (#    350:15  Unique         4.60, 5.14 A)
 &rst
  ixpk= 350, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1114,1115,1116,
 &end
#
#    0 AMB  15-2:351     71 ASP  HN          2.80    (#    351:15  Single Ambig)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   19 TYR  HN           20 PHE  HN          3.50    (#    352:15  Unique         2.59, 2.61 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 306, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HN           20 PHE  HN          3.50    (#    353:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 353, nxpk= 15, iat= 347, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  HA           20 PHE  HN          4.50    (#    354:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 354, nxpk= 15, iat= 308, 327, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HA           20 PHE  HN          2.80    (#    355:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 355, nxpk= 15, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 PHE  HB+          20 PHE  HN          2.80    (#    356:15  Unique         2.23, 2.55 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 331, 332,
 &end
#
#   20 PHE  HB-          20 PHE  HN          2.80    (#    357:15  Unique         2.23, 2.55 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 331, 332,
 &end
#
#   19 TYR  HB3          20 PHE  HN          3.50    (#    358:15  Unique         2.71, 3.07 A)
 &rst
  ixpk= 358, nxpk= 15, iat= 311, 327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ALA  HA           53 LEU  HN          4.50    (#    360:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 839, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD-          53 LEU  HN          3.50    (#    363:15  Unique         3.46, 4.52 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   71 ASP  HN           70 THR  HN          2.80    (#    364:15  Unique         1.92, 1.97 A)
 &rst
  ixpk= 364, nxpk= 15, iat=1122,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA+          70 THR  HN          2.80    (#    365:15  Unique         2.43, 2.96 A)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 170, 171,
 &end
#
#   69 VAL  HA           70 THR  HN          2.80    (#    366:15  Unique         2.22, 2.25 A)
 &rst
  ixpk= 366, nxpk= 15, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA-          70 THR  HN          3.50    (#    367:15  Unique         2.43, 2.96 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#    0 AMB  15-2:368     70 THR  HN          3.50    (#    368:15  Single Ambig)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   70 THR  HA           70 THR  HN          3.50    (#    369:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 369, nxpk= 15, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  QG2          70 THR  HN          2.80    (#    370:15  Unique         2.95, 3.72 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1114,1115,1116,
 &end
#
#   46 ALA  HA           47 GLU  HN          2.80    (#    371:15  Unique         2.26, 2.32 A)
 &rst
  ixpk= 371, nxpk= 15, iat= 764, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLY  HA+          47 GLU  HN          4.50    (#    372:15  Unique         3.54, 4.05 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 533, 534,
 &end
#
#   46 ALA  QB           47 GLU  HN          2.80    (#    373:15  Unique         2.39, 3.35 A)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 766, 767, 768,
 &end
#
#   31 ALA  HN           47 GLU  HN          3.50    (#    374:15  Unique         2.55, 2.81 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 521, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLU  HA           47 GLU  HN          4.50    (#    375:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 375, nxpk= 15, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLU  HG-          47 GLU  HN          3.50    (#    376:15  Unique         2.54, 3.44 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 779, 780,
 &end
#
#   47 GLU  QB           47 GLU  HN          3.50    (#    377:15  Unique         2.42, 3.22 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 776, 777,
 &end
#
#   31 ALA  QB           47 GLU  HN          4.50    (#    378:15  Unique         3.64, 4.63 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 525, 526, 527,
 &end
#
#   11 ARG  HN           68 LYS  HN          4.50    (#    379:15  Unique         3.28, 3.40 A)
 &rst
  ixpk= 379, nxpk= 15, iat= 175,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ARG  HA           68 LYS  HN          5.50    (#    380:15  Unique         4.48, 4.57 A)
 &rst
  ixpk= 380, nxpk= 15, iat= 177,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LYS  HA           68 LYS  HN          4.50    (#    381:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 381, nxpk= 15, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:382     68 LYS  HN          4.50    (#    382:15  Single Ambig)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 201,1094,
 &end
#
#   67 SER  QB           68 LYS  HN          2.80    (#    383:15  Unique         2.34, 3.03 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1063,1064,
 &end
#
#   11 ARG  HB+          68 LYS  HN          3.50    (#    384:15  Unique         2.26, 3.27 A)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 179, 180,
 &end
#
#   68 LYS  HB-          68 LYS  HN          2.80    (#    385:15  Unique         2.90, 3.23 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1074,1075,
 &end
#
#   12 VAL  QG+          68 LYS  HN          4.50    (#    386:15  Unique         3.53, 5.47 A)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   54 GLN  HN           53 LEU  HN          2.80    (#    387:15  Unique         2.68, 2.78 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 866, 847, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 ALA  HN           53 LEU  HN          2.80    (#    388:15  Unique         2.36, 2.42 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:389     53 LEU  HN          2.80    (#    389:15  Single Ambig)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 851, 841, 842, 843,
 &end
#
#   53 LEU  QD+          53 LEU  HN          4.50    (#    391:15  Unique         3.46, 4.52 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HA           53 LEU  HN          3.50    (#    392:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 849, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HB3          53 LEU  HN          3.50    (#    393:15  Unique         3.54, 3.58 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 852, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HN           21 VAL  HN          3.50    (#    394:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 363, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  HN           21 VAL  HN          3.50    (#    395:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 327, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 PHE  QD           21 VAL  HN          5.50    (#    396:15  Unique         2.84, 4.29 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   18 ARG  HA           21 VAL  HN          5.50    (#    397:15  Unique         3.41, 3.50 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 284, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 PHE  HB+          21 VAL  HN          3.50    (#    398:15  Unique         2.56, 3.34 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   20 PHE  HB-          21 VAL  HN          3.50    (#    399:15  Unique         2.56, 3.34 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   21 VAL  HA           21 VAL  HN          3.50    (#    400:15  Unique         2.83, 2.83 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HB           21 VAL  HN          2.80    (#    401:15  Unique         2.32, 2.38 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 351, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  QG+          21 VAL  HN          3.50    (#    403:15  Unique         2.23, 3.83 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          21 VAL  HN          2.80    (#    404:15  Unique         2.23, 3.83 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   26 ASP  HN           27 LYS  HN          3.50    (#    405:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 405, nxpk= 15, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           27 LYS  HN          3.50    (#    406:15  Unique         2.94, 3.04 A)
 &rst
  ixpk= 406, nxpk= 15, iat= 456, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HA           27 LYS  HN          4.50    (#    407:15  Unique         3.52, 3.53 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 424, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HA           27 LYS  HN          2.80    (#    408:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 GLU  HA           27 LYS  HN          3.50    (#    409:15  Unique         2.89, 3.07 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 399, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:410     27 LYS  HN          4.50    (#    410:15  Single Ambig)
 &rst
  ixpk= 410, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 447, 448,
 &end
#
#   26 ASP  HB3          27 LYS  HN          4.50    (#    411:15  Unique         2.48, 2.59 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  QB           27 LYS  HN          2.80    (#    412:15  Unique         2.24, 2.56 A)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 438, 439,
 &end
#
#   57 VAL  QG-          57 VAL  HN          3.50    (#    415:15  Unique         2.18, 3.88 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   72 ILE  HA           72 ILE  HN          3.50    (#    416:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 416, nxpk= 15, iat=1136,1134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HA           72 ILE  HN          2.80    (#    417:15  Unique         2.31, 2.37 A)
 &rst
  ixpk= 417, nxpk= 15, iat=1124,1134, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 ASP  HB+          72 ILE  HN          3.50    (#    418:15  Unique         3.75, 3.93 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1126,1127,
 &end
#
#   71 ASP  HB-          72 ILE  HN          3.50    (#    419:15  Unique         3.75, 3.93 A)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1126,1127,
 &end
#
#   72 ILE  HB           72 ILE  HN          3.50    (#    420:15  Unique         3.35, 3.44 A)
 &rst
  ixpk= 420, nxpk= 15, iat=1138,1134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  QG2          72 ILE  HN          2.80    (#    421:15  Unique         2.51, 3.38 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1140,1141,1142,
 &end
#
#   21 VAL  HN           22 GLN  HN          2.80    (#    422:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HN           22 GLN  HN          2.80    (#    423:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 380, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 TYR  HA           22 GLN  HN          4.50    (#    424:15  Unique         3.18, 3.26 A)
 &rst
  ixpk= 424, nxpk= 15, iat= 308, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HA           22 GLN  HN          3.50    (#    425:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HB2          22 GLN  HN          2.80    (#    426:15  Unique         2.67, 2.70 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 367, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  HB           22 GLN  HN          3.50    (#    427:15  Unique         2.68, 2.75 A)
 &rst
  ixpk= 427, nxpk= 15, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HB3          22 GLN  HN          2.80    (#    428:15  Unique         2.24, 2.26 A)
 &rst
  ixpk= 428, nxpk= 15, iat= 368, 363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  QG+          22 GLN  HN          3.50    (#    429:15  Unique         3.49, 4.63 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  15-2:430     22 GLN  HN          3.50    (#    430:15  Single Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 &end
#
#   17 PHE  HN           16 GLY  HN          4.50    (#    432:15  Unique         2.45, 2.81 A)
 &rst
  ixpk= 432, nxpk= 15, iat= 262, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HN           16 GLY  HN          3.50    (#    433:15  Unique         1.94, 2.10 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 239, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLY  QA           16 GLY  HN          3.50    (#    434:15  Unique         2.27, 2.56 A)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 257, 258,
 &end
#
#   20 PHE  HN           19 TYR  HN          3.50    (#    435:15  Unique         2.59, 2.61 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 327, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:436     19 TYR  HN          3.50    (#    436:15  Single Ambig)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 308, 257, 258,
 &end
#
#   19 TYR  HB2          19 TYR  HN          3.50    (#    437:15  Unique         2.43, 2.50 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 310, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  HB3          19 TYR  HN          3.50    (#    438:15  Unique         2.53, 2.94 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 311, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HN           57 VAL  HN          2.80    (#    440:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 894, 914, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  HN           57 VAL  HN          5.50    (#    441:15  Unique         4.21, 4.28 A)
 &rst
  ixpk= 441, nxpk= 15, iat= 945, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 GLU  HN           57 VAL  HN          2.80    (#    442:15  Unique         2.71, 2.78 A)
 &rst
  ixpk= 442, nxpk= 15, iat= 930, 914, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 PHE  QD           57 VAL  HN          4.50    (#    443:15  Unique         2.87, 4.80 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   57 VAL  HA           57 VAL  HN          2.80    (#    447:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 447, nxpk= 15, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  HB           57 VAL  HN          3.50    (#    448:15  Unique         2.59, 2.70 A)
 &rst
  ixpk= 448, nxpk= 15, iat= 918, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  QG+          57 VAL  HN          2.80    (#    450:15  Unique         2.18, 3.88 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   84 HIS  HB+          85 ARG  HN          3.50    (#    452:15  Unique         2.12, 3.31 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1317,1318,
 &end
#
#   85 ARG  HB+          85 ARG  HN          3.50    (#    453:15  Unique         2.68, 3.46 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1334,1335,
 &end
#
#   85 ARG  HG+          85 ARG  HN          3.50    (#    454:15  Unique         2.52, 3.56 A)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1337,1338,
 &end
#
#   31 ALA  QB           85 ARG  HN          3.50    (#    455:15  Unique         2.16, 3.52 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#    0 AMB  15-2:456      0 AMB  15-1:456    3.50    (#    456:15  Double Ambig)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1144,1145,1098,1099,1100,1102,1103,1104,1098,1099,
      1100,1102,1103,1104, 920, 921, 922, 924, 925, 926,
       146, 147, 148, 150, 151, 152,
 igr2=1134, 955,
 &end
#
#   25 ALA  HN           24 GLU  HN          2.80    (#    457:15  Unique         2.49, 2.54 A)
 &rst
  ixpk= 457, nxpk= 15, iat= 412, 397, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HN           24 GLU  HN          2.80    (#    458:15  Unique         2.60, 2.64 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 380, 397, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HA           24 GLU  HN          4.50    (#    459:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HA           24 GLU  HN          4.50    (#    460:15  Unique         2.88, 2.90 A)
 &rst
  ixpk= 460, nxpk= 15, iat= 399, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HA           24 GLU  HN          3.50    (#    461:15  Unique         3.12, 3.30 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 349, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HG-          24 GLU  HN          4.50    (#    463:15  Unique         4.49, 4.80 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   24 GLU  HB3          24 GLU  HN          3.50    (#    464:15  Unique         3.52, 3.58 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 402, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HB2          24 GLU  HN          3.50    (#    466:15  Unique         2.23, 2.36 A)
 &rst
  ixpk= 466, nxpk= 15, iat= 401, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HA           83 HIS  HN          3.50    (#    469:15  Unique         2.19, 2.72 A)
 &rst
  ixpk= 469, nxpk= 15, iat=1298,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HB2          83 HIS  HN          4.50    (#    470:15  Unique         2.47, 3.30 A)
 &rst
  ixpk= 470, nxpk= 15, iat=1300,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HN           83 HIS  HN          2.80    (#    471:15  Unique         2.02, 2.64 A)
 &rst
  ixpk= 471, nxpk= 15, iat=1289,1296, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   82 GLY  HA+          83 HIS  HN          5.50    (#    473:15  Unique         2.50, 3.21 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1291,1292,
 &end
#
#   82 GLY  HA-          83 HIS  HN          3.50    (#    474:15  Unique         2.50, 3.21 A)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,
 &end
#
#   83 HIS  HB3          83 HIS  HN          3.50    (#    475:15  Unique         2.33, 2.64 A)
 &rst
  ixpk= 475, nxpk= 15, iat=1301,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   84 HIS  HB-          85 ARG  HN          4.50    (#    476:15  Unique         2.12, 3.31 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1317,1318,
 &end
#
#   85 ARG  HG-          85 ARG  HN          3.50    (#    477:15  Unique         2.52, 3.56 A)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1337,1338,
 &end
#
#   61 LYS  HN           60 VAL  HN          2.80    (#    478:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 478, nxpk= 15, iat= 971, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  HN           60 VAL  HN          2.80    (#    479:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 479, nxpk= 15, iat= 945, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  HA           60 VAL  HN          4.50    (#    480:15  Unique         3.60, 3.62 A)
 &rst
  ixpk= 480, nxpk= 15, iat= 947, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HA           60 VAL  HN          3.50    (#    481:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 481, nxpk= 15, iat= 957, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HA           60 VAL  HN          3.50    (#    482:15  Unique         2.81, 2.98 A)
 &rst
  ixpk= 482, nxpk= 15, iat= 916, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HB           60 VAL  HN          2.80    (#    483:15  Unique         2.28, 2.37 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 959, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  QB           60 VAL  HN          2.80    (#    484:15  Unique         2.71, 3.59 A)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#    0 AMB  15-2:485     60 VAL  HN          4.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 961, 962, 963,1147,1148,1149,
 &end
#
#   60 VAL  QG2          60 VAL  HN          2.80    (#    486:15  Unique         2.36, 3.26 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 965, 966, 967,
 &end
#
#   17 PHE  HN           18 ARG  HN          3.50    (#    487:15  Unique         2.73, 3.02 A)
 &rst
  ixpk= 487, nxpk= 15, iat= 262, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ARG  HA           18 ARG  HN          3.50    (#    490:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 PHE  HB+          18 ARG  HN          3.50    (#    491:15  Unique         2.42, 3.15 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 266, 267,
 &end
#
#   18 ARG  HB+          18 ARG  HN          3.50    (#    493:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 286, 287,
 &end
#
#   18 ARG  HB-          18 ARG  HN          3.50    (#    494:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 286, 287,
 &end
#
#   18 ARG  HG+          18 ARG  HN          3.50    (#    495:15  Unique         2.37, 2.97 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 289, 290,
 &end
#
#   22 GLN  HN           23 MET  HN          2.80    (#    496:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 496, nxpk= 15, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 GLU  HN           23 MET  HN          2.80    (#    497:15  Unique         2.60, 2.64 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 397, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 MET  HA           23 MET  HN          3.50    (#    498:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HB2          23 MET  HN          4.50    (#    500:15  Unique         2.51, 2.54 A)
 &rst
  ixpk= 500, nxpk= 15, iat= 384, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HG-          23 MET  HN          3.50    (#    501:15  Unique         2.45, 2.96 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   20 PHE  HA           23 MET  HN          3.50    (#    502:15  Unique         3.14, 3.20 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 329, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HG+          23 MET  HN          2.80    (#    503:15  Unique         2.45, 2.96 A)
 &rst
  ixpk= 503, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 387, 388,
 &end
#
#   13 GLN  HA           13 GLN  HN          3.50    (#    504:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLN  HB2          13 GLN  HN          3.50    (#    505:15  Unique         2.97, 3.00 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 219, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  HN           13 GLN  HN          2.80    (#    506:15  Unique         2.19, 2.24 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 ARG  HA           13 GLN  HN          5.50    (#    507:15  Unique         3.31, 3.44 A)
 &rst
  ixpk= 507, nxpk= 15, iat= 177, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 VAL  HA           13 GLN  HN          3.50    (#    508:15  Unique         3.18, 3.23 A)
 &rst
  ixpk= 508, nxpk= 15, iat= 201, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLN  HG+          13 GLN  HN          4.50    (#    509:15  Unique         4.02, 4.56 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 223,
 &end
#
#   12 VAL  QG-          13 GLN  HN          3.50    (#    510:15  Unique         3.70, 4.93 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   54 GLN  HA           54 GLN  HN          3.50    (#    511:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 511, nxpk= 15, iat= 868, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG+          54 GLN  HN          2.80    (#    512:15  Unique         2.54, 3.20 A)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 873, 874,
 &end
#
#   54 GLN  HG-          54 GLN  HN          3.50    (#    513:15  Unique         2.54, 3.20 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#    0 AMB  15-2:514     54 GLN  HN          3.50    (#    514:15  Single Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 871, 815, 816,
 &end
#
#   53 LEU  HB3          54 GLN  HN          4.50    (#    515:15  Unique         3.38, 3.45 A)
 &rst
  ixpk= 515, nxpk= 15, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:516     79 SER  HN          4.50    (#    516:15  Single Ambig)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1227,1228,  47,  48,
 &end
#
#   77 SER  HN            3 GLN  HN          3.50    (#    517:15  Unique         2.79, 3.00 A)
 &rst
  ixpk= 517, nxpk= 15, iat=1209,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HA            3 GLN  HN          3.50    (#    518:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 518, nxpk= 15, iat=  42,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 LEU  HA            3 GLN  HN          2.80    (#    519:15  Unique         2.36, 2.51 A)
 &rst
  ixpk= 519, nxpk= 15, iat=  23,  40, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 GLN  HB2           3 GLN  HN          3.50    (#    520:15  Unique         2.77, 3.13 A)
 &rst
  ixpk= 520, nxpk= 15, iat=  44,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HB3           3 GLN  HN          3.50    (#    521:15  Unique         2.45, 2.58 A)
 &rst
  ixpk= 521, nxpk= 15, iat=  45,  40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 LEU  HB+           3 GLN  HN          3.50    (#    522:15  Unique         3.00, 3.71 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#    0 AMB  15-2:523      3 GLN  HN          3.50    (#    523:15  Single Ambig)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   13 GLN  HB3          13 GLN  HN          4.50    (#    524:15  Unique         3.85, 3.86 A)
 &rst
  ixpk= 524, nxpk= 15, iat= 220, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  QG-          13 GLN  HN          4.50    (#    525:15  Unique         2.69, 4.45 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   40 GLY  HN           41 ARG  HN          2.80    (#    526:15  Unique         2.47, 2.66 A)
 &rst
  ixpk= 526, nxpk= 15, iat= 662, 669, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 ARG  HA           41 ARG  HN          4.50    (#    527:15  Unique         2.82, 2.88 A)
 &rst
  ixpk= 527, nxpk= 15, iat= 671, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLY  HA+          41 ARG  HN          3.50    (#    528:15  Unique         2.97, 3.32 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 665,
 &end
#
#   40 GLY  HA-          41 ARG  HN          4.50    (#    529:15  Unique         2.97, 3.32 A)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 665,
 &end
#
#   41 ARG  QD           41 ARG  HN          4.50    (#    530:15  Unique         2.73, 4.09 A)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 680,
 &end
#
#   37 ARG  HB3          41 ARG  HN          5.50    (#    531:15  Unique         3.76, 4.15 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 619, 669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG  HB2          41 ARG  HN          3.50    (#    532:15  Unique         2.58, 3.03 A)
 &rst
  ixpk= 532, nxpk= 15, iat= 618, 669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  QB           41 ARG  HN          2.80    (#    533:15  Unique         2.15, 2.87 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 673, 674,
 &end
#
#   41 ARG  HG+          41 ARG  HN          3.50    (#    534:15  Unique         2.53, 3.39 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 676, 677,
 &end
#
#   41 ARG  HG-          41 ARG  HN          2.80    (#    535:15  Unique         2.53, 3.39 A)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 669, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 676, 677,
 &end
#
#   78 ARG  HN           79 SER  HN          2.80    (#    536:15  Unique         1.97, 2.47 A)
 &rst
  ixpk= 536, nxpk= 15, iat=1220,1244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LEU  HN           54 GLN  HN          3.50    (#    537:15  Unique         2.68, 2.78 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 847, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 SER  HN           54 GLN  HN          4.50    (#    538:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 883, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HA           79 SER  HN          3.50    (#    540:15  Unique         2.66, 2.77 A)
 &rst
  ixpk= 540, nxpk= 15, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  HA           54 GLN  HN          5.50    (#    541:15  Unique         3.32, 3.43 A)
 &rst
  ixpk= 541, nxpk= 15, iat= 825, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 SER  HB2          79 SER  HN          3.50    (#    542:15  Unique         2.52, 2.65 A)
 &rst
  ixpk= 542, nxpk= 15, iat=1248,1244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 SER  HB-          79 SER  HN          2.80    (#    543:15  Unique         2.42, 3.01 A)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1213,1214,
 &end
#
#   54 GLN  HB2          54 GLN  HN          3.50    (#    544:15  Unique         2.20, 2.25 A)
 &rst
  ixpk= 544, nxpk= 15, iat= 870, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HB2          54 GLN  HN          3.50    (#    545:15  Unique         2.52, 2.63 A)
 &rst
  ixpk= 545, nxpk= 15, iat= 851, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HN           58 GLU  HN          2.80    (#    547:15  Unique         2.71, 2.78 A)
 &rst
  ixpk= 547, nxpk= 15, iat= 914, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ALA  HN           58 GLU  HN          2.80    (#    549:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 549, nxpk= 15, iat= 945, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 SER  HA           58 GLU  HN          3.50    (#    550:15  Unique         3.26, 3.42 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 885, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLU  HA           58 GLU  HN          2.80    (#    551:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 551, nxpk= 15, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  HA           58 GLU  HN          4.50    (#    552:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 552, nxpk= 15, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:553     58 GLU  HN          2.80    (#    553:15  Single Ambig)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 937, 938, 918,
 &end
#
#   58 GLU  QB           58 GLU  HN          2.80    (#    554:15  Unique         2.39, 3.05 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 934, 935,
 &end
#
#   57 VAL  QG+          58 GLU  HN          3.50    (#    556:15  Unique         2.54, 4.17 A)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  QG-          58 GLU  HN          3.50    (#    557:15  Unique         2.54, 4.17 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   60 VAL  HN           61 LYS  HN          2.80    (#    558:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 955, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 ASN  HN           61 LYS  HN          2.80    (#    559:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 993, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 GLU  HA           61 LYS  HN          5.50    (#    560:15  Unique         3.66, 3.74 A)
 &rst
  ixpk= 560, nxpk= 15, iat= 932, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  HA           61 LYS  HN          2.80    (#    561:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 561, nxpk= 15, iat= 973, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:562     61 LYS  HN          2.80    (#    562:15  Single Ambig)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 959, 975, 976,
 &end
#
#    0 AMB  15-2:565     61 LYS  HN          4.50    (#    565:15  Single Ambig)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 &end
#
#    0 AMB  15-2:566     61 LYS  HN          3.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 961, 962, 963,1147,1148,1149,
 &end
#
#   60 VAL  QG2          61 LYS  HN          4.50    (#    567:15  Unique         4.60, 4.97 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 966, 967,
 &end
#
#   29 LYS  HN           30 LEU  HN          3.50    (#    568:15  Unique         2.91, 3.04 A)
 &rst
  ixpk= 568, nxpk= 15, iat= 480, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           30 LEU  HN          4.50    (#    569:15  Unique         3.13, 3.23 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 456, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HA           30 LEU  HN          4.50    (#    570:15  Unique         3.58, 3.96 A)
 &rst
  ixpk= 570, nxpk= 15, iat= 424, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HA           30 LEU  HN          3.50    (#    571:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 571, nxpk= 15, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HA           30 LEU  HN          2.80    (#    572:15  Unique         2.49, 2.66 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 482, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:573     30 LEU  HN          3.50    (#    573:15  Single Ambig)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 461, 484, 485,
 &end
#
#   30 LEU  HG           30 LEU  HN          4.50    (#    574:15  Unique         2.27, 3.15 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 509, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HB2          30 LEU  HN          4.50    (#    575:15  Unique         2.28, 2.36 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HB3          30 LEU  HN          3.50    (#    576:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 576, nxpk= 15, iat= 507, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD-          30 LEU  HN          4.50    (#    577:15  Unique         2.30, 4.08 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   25 ALA  QB           30 LEU  HN          4.50    (#    578:15  Unique         3.44, 4.43 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   30 LEU  QD+          30 LEU  HN          3.50    (#    579:15  Unique         2.30, 4.08 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    3 GLN  HN           77 SER  HN          3.50    (#    580:15  Unique         2.79, 3.00 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  40,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 GLU  HA           77 SER  HN          2.80    (#    581:15  Unique         2.27, 2.35 A)
 &rst
  ixpk= 581, nxpk= 15, iat=1196,1209, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 SER  HA           77 SER  HN          3.50    (#    582:15  Unique         2.91, 2.96 A)
 &rst
  ixpk= 582, nxpk= 15, iat=1211,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 SER  HB+          77 SER  HN          3.50    (#    583:15  Unique         2.82, 3.40 A)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1213,1214,
 &end
#
#   77 SER  HB-          77 SER  HN          3.50    (#    584:15  Unique         2.82, 3.40 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1213,1214,
 &end
#
#   76 GLU  QG           77 SER  HN          3.50    (#    585:15  Unique         3.62, 4.16 A)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1201,1202,
 &end
#
#   76 GLU  QB           77 SER  HN          2.80    (#    586:15  Unique         2.34, 3.21 A)
 &rst
  ixpk= 586, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1198,1199,
 &end
#
#   39 ASP  HA           39 ASP  HN          2.80    (#    588:15  Unique         2.84, 2.88 A)
 &rst
  ixpk= 588, nxpk= 15, iat= 652, 650, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ASP  HA           39 ASP  HN          3.50    (#    589:15  Unique         3.45, 3.51 A)
 &rst
  ixpk= 589, nxpk= 15, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 ASP  HB2          39 ASP  HN          4.50    (#    590:15  Unique         2.46, 2.74 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 654, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ASP  QB           39 ASP  HN          3.50    (#    591:15  Unique         2.88, 3.60 A)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#   39 ASP  HB3          39 ASP  HN          3.50    (#    592:15  Unique         2.02, 2.48 A)
 &rst
  ixpk= 592, nxpk= 15, iat= 655, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ARG  HB3          39 ASP  HN          4.50    (#    593:15  Unique         2.33, 2.51 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 619, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HB2          39 ASP  HN          4.50    (#    594:15  Unique         3.21, 3.40 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 618, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HG+          39 ASP  HN          5.50    (#    595:15  Unique         4.59, 5.14 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#   28 ARG  HA           28 ARG  HN          3.50    (#    596:15  Unique         2.93, 2.96 A)
 &rst
  ixpk= 596, nxpk= 15, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HN           28 ARG  HN          2.80    (#    598:15  Unique         2.10, 2.17 A)
 &rst
  ixpk= 598, nxpk= 15, iat= 480, 456, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 LYS  HA           28 ARG  HN          3.50    (#    599:15  Unique         3.46, 3.52 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 436, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HB3          28 ARG  HN          3.50    (#    600:15  Unique         2.82, 3.04 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  QB           28 ARG  HN          4.50    (#    601:15  Unique         3.11, 3.95 A)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 438, 439,
 &end
#
#   27 LYS  QD           28 ARG  HN          3.50    (#    602:15  Unique         3.11, 4.23 A)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 444, 445,
 &end
#
#   28 ARG  HB2          28 ARG  HN          3.50    (#    603:15  Unique         3.00, 3.16 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 460, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 ARG  HN           29 LYS  HN          2.80    (#    604:15  Unique         2.10, 2.17 A)
 &rst
  ixpk= 604, nxpk= 15, iat= 456, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           29 LYS  HN          4.50    (#    605:15  Unique         2.88, 3.10 A)
 &rst
  ixpk= 605, nxpk= 15, iat= 424, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HA           29 LYS  HN          3.50    (#    606:15  Unique         2.87, 2.95 A)
 &rst
  ixpk= 606, nxpk= 15, iat= 458, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HA           29 LYS  HN          2.80    (#    607:15  Unique         2.24, 2.27 A)
 &rst
  ixpk= 607, nxpk= 15, iat= 482, 480, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 LYS  QG           29 LYS  HN          3.50    (#    608:15  Unique         2.45, 3.12 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
#   30 LEU  HN           29 LYS  HN          3.50    (#    609:15  Unique         2.91, 3.04 A)
 &rst
  ixpk= 609, nxpk= 15, iat= 502, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:610     29 LYS  HN          3.50    (#    610:15  Single Ambig)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 484, 485, 461,
 &end
#
#   50 GLU  HN           51 ASN  HN          3.50    (#    611:15  Unique         2.79, 2.91 A)
 &rst
  ixpk= 611, nxpk= 15, iat= 808, 823, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 ALA  HN           51 ASN  HN          3.50    (#    612:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 837, 823, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  HA           51 ASN  HN          3.50    (#    614:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 614, nxpk= 15, iat= 825, 823, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  QB           51 ASN  HN          2.80    (#    615:15  Unique         2.47, 2.55 A)
 &rst
  ixpk= 615, nxpk= 15, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 827, 828,
 &end
#
#   50 GLU  QB           51 ASN  HN          3.50    (#    616:15  Unique         2.58, 3.31 A)
 &rst
  ixpk= 616, nxpk= 15, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 812, 813,
 &end
#
#   89 VAL  HN           34 VAL  HN          3.50    (#    617:15  Unique         3.14, 3.36 A)
 &rst
  ixpk= 617, nxpk= 15, iat=1404, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  HA           34 VAL  HN          3.50    (#    619:15  Unique         2.95, 2.96 A)
 &rst
  ixpk= 619, nxpk= 15, iat= 564, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HA           34 VAL  HN          2.80    (#    620:15  Unique         2.34, 2.39 A)
 &rst
  ixpk= 620, nxpk= 15, iat= 540, 562, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   88 ILE  HA           34 VAL  HN          3.50    (#    621:15  Unique         2.71, 2.81 A)
 &rst
  ixpk= 621, nxpk= 15, iat=1387, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HB+          34 VAL  HN          2.80    (#    622:15  Unique         2.36, 3.06 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 542, 543,
 &end
#
#   33 TRP  HB-          34 VAL  HN          2.80    (#    623:15  Unique         2.36, 3.06 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 542, 543,
 &end
#
#   34 VAL  HB           34 VAL  HN          4.50    (#    624:15  Unique         3.17, 3.23 A)
 &rst
  ixpk= 624, nxpk= 15, iat= 566, 562, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  QG+          34 VAL  HN          2.80    (#    625:15  Unique         2.26, 3.99 A)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  QG-          34 VAL  HN          3.50    (#    626:15  Unique         2.26, 3.99 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   89 VAL  QG-          34 VAL  HN          4.50    (#    627:15  Unique         3.27, 5.49 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   66 PHE  HN           67 SER  HN          2.80    (#    629:15  Unique         1.94, 2.21 A)
 &rst
  ixpk= 629, nxpk= 15, iat=1039,1059, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 SER  QB           67 SER  HN          2.80    (#    631:15  Unique         2.29, 2.94 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1063,1064,
 &end
#
#   66 PHE  HB+          67 SER  HN          4.50    (#    632:15  Unique         3.49, 4.01 A)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#   61 LYS  HN           62 ASN  HN          2.80    (#    633:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 971, 993, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 GLY  HN           62 ASN  HN          2.80    (#    634:15  Unique         2.34, 2.49 A)
 &rst
  ixpk= 634, nxpk= 15, iat=1007, 993, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 ASN  HA           62 ASN  HN          2.80    (#    635:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 635, nxpk= 15, iat= 995, 993, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 LYS  HA           62 ASN  HN          4.50    (#    636:15  Unique         3.45, 3.50 A)
 &rst
  ixpk= 636, nxpk= 15, iat= 973, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  QB           62 ASN  HN          2.80    (#    637:15  Unique         2.48, 2.58 A)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 997, 998,
 &end
#
#   61 LYS  HG-          62 ASN  HN          4.50    (#    639:15  Unique         3.09, 4.08 A)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#    0 AMB  15-2:640     55 SER  HN          3.50    (#    640:15  Single Ambig)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 894, 866,
 &end
#
#    0 AMB  15-2:641     55 SER  HN          2.80    (#    641:15  Single Ambig)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 885, 839,
 &end
#
#   55 SER  HB+          55 SER  HN          2.80    (#    642:15  Unique         2.41, 3.11 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   55 SER  HB-          55 SER  HN          2.80    (#    643:15  Unique         2.41, 3.11 A)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   54 GLN  HB3          55 SER  HN          3.50    (#    644:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 644, nxpk= 15, iat= 871, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HB2          55 SER  HN          3.50    (#    645:15  Unique         2.36, 2.44 A)
 &rst
  ixpk= 645, nxpk= 15, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  QB           62 ASN  HD2-        3.50    (#    654:15  Unique         2.40, 3.45 A)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#   63 GLY  HA+          64 SER  HN          3.50    (#    655:15  Unique         2.48, 2.60 A)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1009,1010,
 &end
#
#   64 SER  HA           64 SER  HN          4.50    (#    656:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 656, nxpk= 15, iat=1016,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLY  HA-          64 SER  HN          2.80    (#    657:15  Unique         2.48, 2.60 A)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1009,1010,
 &end
#
#   64 SER  HB2          64 SER  HN          4.50    (#    658:15  Unique         3.28, 3.42 A)
 &rst
  ixpk= 658, nxpk= 15, iat=1018,1014, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HN           14 GLY  HN          3.50    (#    659:15  Unique         2.44, 2.46 A)
 &rst
  ixpk= 659, nxpk= 15, iat= 239, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLN  HA           14 GLY  HN          3.50    (#    660:15  Unique         2.36, 2.41 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 217, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 GLY  QA           14 GLY  HN          2.80    (#    662:15  Unique         2.31, 2.63 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 234, 235,
 &end
#
#   67 SER  HN           66 PHE  HN          2.80    (#    663:15  Unique         1.94, 2.21 A)
 &rst
  ixpk= 663, nxpk= 15, iat=1059,1039, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 PRO  HA           66 PHE  HN          3.50    (#    665:15  Unique         3.26, 3.48 A)
 &rst
  ixpk= 665, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:666     66 PHE  HN          3.50    (#    666:15  Single Ambig)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1026,1027,
 &end
#
#   66 PHE  HB-          66 PHE  HN          3.50    (#    667:15  Unique         2.58, 3.18 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1043,1044,
 &end
#
#   51 ASN  QB           51 ASN  HD2+        3.50    (#    675:15  Unique         2.26, 3.36 A)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 827, 828,
 igr2= 832, 833,
 &end
#
#   51 ASN  QB           51 ASN  HD2-        4.50    (#    680:15  Unique         2.26, 3.36 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 827, 828,
 igr2= 832, 833,
 &end
#
#    3 GLN  HG-           3 GLN  HE2+        3.50    (#    682:15  Unique         2.53, 3.57 A)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:683      0 AMB  15-1:683    4.50    (#    683:15  Double Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1281,1282, 779, 780,
 igr2=  52,  53,  52,  53,
 &end
#
#    3 GLN  HB3           3 GLN  HE2+        4.50    (#    684:15  Unique         3.04, 3.69 A)
 &rst
  ixpk= 684, nxpk= 15, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:685      0 AMB  15-1:685    4.50    (#    685:15  Double Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
      1269,1270,
 igr2=  52,  53,  52,  53,
 &end
#
#   81 GLU  HN            3 GLN  HE2+        4.50    (#    686:15  Unique         3.33, 5.00 A)
 &rst
  ixpk= 686, nxpk= 15, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  52,  53,
 &end
#
#   80 LEU  HA            3 GLN  HE2+        5.50    (#    689:15  Unique         2.54, 4.61 A)
 &rst
  ixpk= 689, nxpk= 15, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:690      0 AMB  15-1:690    4.50    (#    690:15  Double Ambig)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  44,1281,1282,
 igr2=  52,  53,  52,  53,
 &end
#
#    3 GLN  HG+           3 GLN  HE2+        4.50    (#    691:15  Unique         2.53, 3.57 A)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD+           3 GLN  HE2+        4.50    (#    692:15  Unique         3.62, 5.83 A)
 &rst
  ixpk= 692, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:694      3 GLN  HE2-        4.50    (#    694:15  Single Ambig)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1281,1282, 779, 780,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:695      3 GLN  HE2-        4.50    (#    695:15  Single Ambig)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  44,1281,1282,
 igr2=  52,  53,
 &end
#
#   81 GLU  QB            3 GLN  HE2-        4.50    (#    696:15  Unique         1.83, 5.30 A)
 &rst
  ixpk= 696, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1278,1279,
 igr2=  52,  53,
 &end
#
#   45 LEU  QD+           3 GLN  HE2-        4.50    (#    697:15  Unique         3.62, 5.83 A)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  52,  53,
 &end
#
#   80 LEU  HA            3 GLN  HE2-        3.50    (#    702:15  Unique         2.54, 4.61 A)
 &rst
  ixpk= 702, nxpk= 15, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#    3 GLN  HG-           3 GLN  HE2-        3.50    (#    703:15  Unique         2.53, 3.57 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  47,  48,
 igr2=  52,  53,
 &end
#
#    0 AMB  15-2:704      3 GLN  HE2-        3.50    (#    704:15  Single Ambig)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 752, 753, 754, 756, 757, 758,1264,1265,1266,1268,
      1269,1270,
 igr2=  52,  53,
 &end
#
#   11 ARG  HG-          12 VAL  HN          5.50    (#    706:15  Unique         3.98, 4.43 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   13 GLN  HN           12 VAL  HN          2.80    (#    707:15  Unique         2.19, 2.24 A)
 &rst
  ixpk= 707, nxpk= 15, iat= 215, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 VAL  HA           12 VAL  HN          3.50    (#    708:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 708, nxpk= 15, iat= 201, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 VAL  QG+          12 VAL  HN          3.50    (#    709:15  Unique         2.37, 3.50 A)
 &rst
  ixpk= 709, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   11 ARG  HA           12 VAL  HN          2.80    (#    710:15  Unique         2.25, 2.30 A)
 &rst
  ixpk= 710, nxpk= 15, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 VAL  QG-          12 VAL  HN          2.80    (#    711:15  Unique         2.37, 3.50 A)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   87 SER  HA           22 GLN  HE2+        3.50    (#    718:15  Unique         7.82, 8.40 A)
 &rst
  ixpk= 718, nxpk= 15, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 375, 376,
 &end
#
#   22 GLN  QG           22 GLN  HE2+        3.50    (#    719:15  Unique         3.19, 3.71 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 370, 371,
 igr2= 375, 376,
 &end
#
#   54 GLN  HG+          54 GLN  HE2+        3.50    (#    728:15  Unique         2.23, 3.34 A)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#   54 GLN  HG-          54 GLN  HE2+        3.50    (#    729:15  Unique         2.23, 3.34 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#   54 GLN  HB3          54 GLN  HE2+        3.50    (#    730:15  Unique         2.36, 4.27 A)
 &rst
  ixpk= 730, nxpk= 15, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 878, 879,
 &end
#
#   54 GLN  HG-          54 GLN  HE2-        4.50    (#    736:15  Unique         2.23, 3.34 A)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#   54 GLN  HB3          54 GLN  HE2-        3.50    (#    737:15  Unique         2.36, 4.27 A)
 &rst
  ixpk= 737, nxpk= 15, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 878, 879,
 &end
#
#    0 AMB  15-2:742      0 AMB  15-1:742    3.50    (#    742:15  Double Ambig)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 370, 371, 815, 816, 918,
 igr2= 375, 376, 878, 879,
 &end
#
#   88 ILE  QD1          22 GLN  HE2-        4.50    (#    743:15  Unique         3.06, 4.81 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1398,1399,1400,
 igr2= 375, 376,
 &end
#
#    0 AMB  15-2:744      0 AMB  15-1:744    4.50    (#    744:15  Double Ambig)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 614, 363,
 igr2= 227, 228, 227, 228,
 &end
#
#   36 ASN  HA           13 GLN  HE2+        4.50    (#    747:15  Unique         5.86, 6.50 A)
 &rst
  ixpk= 747, nxpk= 15, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#    0 AMB  15-2:748      0 AMB  15-1:748    4.50    (#    748:15  Double Ambig)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 664, 665,1043,1044,
 igr2= 227, 228, 227, 228,
 &end
#
#   13 GLN  HG+          13 GLN  HE2+        4.50    (#    749:15  Unique         2.29, 3.37 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 222, 223,
 igr2= 227, 228,
 &end
#
#   13 GLN  HG-          13 GLN  HE2+        4.50    (#    750:15  Unique         2.29, 3.37 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 222, 223,
 igr2= 227, 228,
 &end
#
#   36 ASN  HA           13 GLN  HE2-        4.50    (#    752:15  Unique         5.86, 6.50 A)
 &rst
  ixpk= 752, nxpk= 15, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#   13 GLN  HG+          13 GLN  HE2-        4.50    (#    753:15  Unique         2.29, 3.37 A)
 &rst
  ixpk= 753, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 222, 223,
 igr2= 227, 228,
 &end
#
#    0 AMB  15-2:754     13 GLN  HE2-        4.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 227, 228,
 &end
#
#    0 AMB  15-2:755     13 GLN  HE2-        3.50    (#    755:15  Single Ambig)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 614, 363,
 igr2= 227, 228,
 &end
#
#   13 GLN  HG-          13 GLN  HE2-        3.50    (#    757:15  Unique         2.29, 3.37 A)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 222, 223,
 igr2= 227, 228,
 &end
#
#   17 PHE  HN           15 VAL  HN          4.50    (#    758:15  Unique         3.23, 3.35 A)
 &rst
  ixpk= 758, nxpk= 15, iat= 262, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 GLY  QA           15 VAL  HN          4.50    (#    760:15  Unique         3.20, 3.34 A)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 234, 235,
 &end
#
#   15 VAL  QG-          15 VAL  HN          2.80    (#    761:15  Unique         2.41, 3.57 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   16 GLY  HN           15 VAL  HN          2.80    (#    762:15  Unique         1.94, 2.10 A)
 &rst
  ixpk= 762, nxpk= 15, iat= 255, 239, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 VAL  HA           15 VAL  HN          4.50    (#    763:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 763, nxpk= 15, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLY  QA           15 VAL  HN          5.50    (#    764:15  Unique         4.20, 4.51 A)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 257, 258,
 &end
#
#   15 VAL  QG+          15 VAL  HN          3.50    (#    765:15  Unique         2.41, 3.57 A)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   14 GLY  HN           15 VAL  HN          3.50    (#    766:15  Unique         2.44, 2.46 A)
 &rst
  ixpk= 766, nxpk= 15, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 GLU  HA           48 GLY  HN          2.80    (#    767:15  Unique         2.14, 2.25 A)
 &rst
  ixpk= 767, nxpk= 15, iat= 774, 787, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 GLN  HA           48 GLY  HN          4.50    (#    768:15  Unique         3.21, 3.48 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  42, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 GLY  HA+          48 GLY  HN          2.80    (#    769:15  Unique         2.75, 2.83 A)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 789, 790,
 &end
#
#    0 AMB  15-2:770     48 GLY  HN          4.50    (#    770:15  Single Ambig)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 776, 777,   8,   9,
 &end
#
#   53 LEU  QD+          48 GLY  HN          4.50    (#    771:15  Unique         2.24, 4.19 A)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-          48 GLY  HN          3.50    (#    772:15  Unique         2.24, 4.19 A)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   36 ASN  HB2          36 ASN  HD2-        3.50    (#    776:15  Unique         2.64, 3.50 A)
 &rst
  ixpk= 776, nxpk= 15, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 609, 610,
 &end
#
#   36 ASN  HB3          36 ASN  HD2-        3.50    (#    777:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 777, nxpk= 15, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 609, 610,
 &end
#
#   83 HIS  HN           82 GLY  HN          2.80    (#    778:15  Unique         2.02, 2.64 A)
 &rst
  ixpk= 778, nxpk= 15, iat=1296,1289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   82 GLY  HA+          82 GLY  HN          2.80    (#    779:15  Unique         2.29, 2.60 A)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1291,1292,
 &end
#
#   82 GLY  HA-          82 GLY  HN          2.80    (#    780:15  Unique         2.29, 2.60 A)
 &rst
  ixpk= 780, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1291,1292,
 &end
#
#   80 LEU  QB           82 GLY  HN          3.50    (#    781:15  Unique         2.35, 3.80 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1259,1260,
 &end
#
#   81 GLU  HN           82 GLY  HN          4.50    (#    782:15  Unique         1.95, 2.59 A)
 &rst
  ixpk= 782, nxpk= 15, iat=1274,1289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:783     82 GLY  HN          4.50    (#    783:15  Single Ambig)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1257,1298,
 &end
#
#   81 GLU  HA           82 GLY  HN          3.50    (#    784:15  Unique         2.06, 3.38 A)
 &rst
  ixpk= 784, nxpk= 15, iat=1276,1289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  QB           82 GLY  HN          4.50    (#    785:15  Unique         2.41, 3.81 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1278,1279,
 &end
#
#    9 ASP  HA           10 GLY  HN          2.80    (#    786:15  Unique         2.27, 2.36 A)
 &rst
  ixpk= 786, nxpk= 15, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HA+          10 GLY  HN          3.50    (#    787:15  Unique         2.48, 2.77 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#   10 GLY  HA-          10 GLY  HN          2.80    (#    788:15  Unique         2.48, 2.77 A)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 170, 171,
 &end
#
#    9 ASP  HB3          10 GLY  HN          4.50    (#    789:15  Unique         3.60, 3.76 A)
 &rst
  ixpk= 789, nxpk= 15, iat= 161, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  QG-          10 GLY  HN          3.50    (#    790:15  Unique         2.79, 4.37 A)
 &rst
  ixpk= 790, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  QG+          10 GLY  HN          5.50    (#    791:15  Unique         2.79, 4.37 A)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   41 ARG  HN           40 GLY  HN          2.80    (#    792:15  Unique         2.47, 2.66 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 669, 662, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 ASP  HA           40 GLY  HN          3.50    (#    793:15  Unique         3.29, 3.41 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HA           40 GLY  HN          3.50    (#    794:15  Unique         3.51, 3.54 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 640, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 GLY  HA+          40 GLY  HN          2.80    (#    795:15  Unique         2.28, 2.66 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 664, 665,
 &end
#
#   40 GLY  HA-          40 GLY  HN          2.80    (#    796:15  Unique         2.28, 2.66 A)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 664, 665,
 &end
#
#   87 SER  HN           32 GLY  HN          4.50    (#    798:15  Unique         3.84, 4.04 A)
 &rst
  ixpk= 798, nxpk= 15, iat=1374, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:799     32 GLY  HN          2.80    (#    799:15  Single Ambig)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1356, 533, 534,
 &end
#
#   31 ALA  HA           32 GLY  HN          2.80    (#    800:15  Unique         2.38, 2.44 A)
 &rst
  ixpk= 800, nxpk= 15, iat= 523, 531, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLY  HA-          32 GLY  HN          2.80    (#    803:15  Unique         2.50, 2.79 A)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 533, 534,
 &end
#
#   31 ALA  QB           32 GLY  HN          2.80    (#    804:15  Unique         2.35, 3.37 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
#   86 PHE  HB2          32 GLY  HN          5.50    (#    805:15  Unique         3.38, 3.62 A)
 &rst
  ixpk= 805, nxpk= 15, iat=1358, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:806     63 GLY  HN          4.50    (#    806:15  Single Ambig)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   62 ASN  HN           63 GLY  HN          2.80    (#    807:15  Unique         2.34, 2.49 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 993,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:808     63 GLY  HN          5.50    (#    808:15  Single Ambig)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 272, 276, 335, 343,
 &end
#
#   62 ASN  HA           63 GLY  HN          3.50    (#    809:15  Unique         3.52, 3.54 A)
 &rst
  ixpk= 809, nxpk= 15, iat= 995,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA+          63 GLY  HN          2.80    (#    810:15  Unique         2.25, 2.54 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1009,1010,
 &end
#
#   63 GLY  HA-          63 GLY  HN          2.80    (#    811:15  Unique         2.25, 2.54 A)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1009,1010,
 &end
#
#   62 ASN  QB           63 GLY  HN          4.50    (#    812:15  Unique         2.85, 3.47 A)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   36 ASN  HB2          36 ASN  HD2+        4.50    (#    815:15  Unique         2.64, 3.50 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 609, 610,
 &end
#
#   36 ASN  HB3          36 ASN  HD2+        4.50    (#    816:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 816, nxpk= 15, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 609, 610,
 &end
#
#    9 ASP  HB2          10 GLY  HN          4.50    (#    817:15  Unique         3.99, 4.06 A)
 &rst
  ixpk= 817, nxpk= 15, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ILE  HB           45 LEU  HN          4.50    (#    819:15  Unique         3.88, 3.94 A)
 &rst
  ixpk= 819, nxpk= 15, iat= 728, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HB+          19 TYR  HN          5.50    (#    823:15  Unique         2.72, 3.23 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 286, 287,
 &end
#
#    0 AMB  15-2:826      7 ILE  HN          5.50    (#    826:15  Single Ambig)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 140, 724,
 &end
#
#    0 AMB  15-2:827      6 ILE  HN          5.50    (#    827:15  Single Ambig)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  78,1180,
 &end
#
#    6 ILE  HN            5 ARG  HN          4.50    (#    830:15  Unique         4.22, 4.24 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 102,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 GLN  HB3          14 GLY  HN          4.50    (#    831:15  Unique         2.37, 2.52 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 220, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  HB           15 VAL  HN          5.50    (#    832:15  Unique         3.78, 3.79 A)
 &rst
  ixpk= 832, nxpk= 15, iat= 243, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 PHE  QD           20 PHE  HN          5.50    (#    834:15  Unique         2.54, 4.66 A)
 &rst
  ixpk= 834, nxpk= 15, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   17 PHE  HA           21 VAL  HN          5.50    (#    835:15  Unique         3.80, 3.89 A)
 &rst
  ixpk= 835, nxpk= 15, iat= 264, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLN  HA           23 MET  HN          5.50    (#    836:15  Unique         3.62, 3.62 A)
 &rst
  ixpk= 836, nxpk= 15, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 SER  HN           72 ILE  HN          5.50    (#    837:15  Unique         4.25, 4.27 A)
 &rst
  ixpk= 837, nxpk= 15, iat=1153,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ASP  QB           38 ASP  HN          4.50    (#    842:15  Unique         2.44, 2.49 A)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 642, 643,
 &end
#
#   37 ARG  HA           38 ASP  HN          5.50    (#    843:15  Unique         2.25, 2.32 A)
 &rst
  ixpk= 843, nxpk= 15, iat= 616, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 ARG  HN           39 ASP  HN          4.50    (#    845:15  Unique         3.52, 3.99 A)
 &rst
  ixpk= 845, nxpk= 15, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ASN  HA           43 GLU  HN          4.50    (#    847:15  Unique         3.36, 3.46 A)
 &rst
  ixpk= 847, nxpk= 15, iat= 602, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  HN           43 GLU  HN          5.50    (#    848:15  Unique         4.32, 4.37 A)
 &rst
  ixpk= 848, nxpk= 15, iat= 693, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU  HN           44 ILE  HN          5.50    (#    849:15  Unique         4.32, 4.38 A)
 &rst
  ixpk= 849, nxpk= 15, iat= 743, 724, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLU  HN           48 GLY  HN          5.50    (#    850:15  Unique         4.19, 4.30 A)
 &rst
  ixpk= 850, nxpk= 15, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:852     48 GLY  HN          5.50    (#    852:15  Single Ambig)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1259,1260,  25,  26,
 &end
#
#   80 LEU  QD-          48 GLY  HN          4.50    (#    855:15  Unique         2.61, 8.14 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   50 GLU  HA           51 ASN  HN          4.50    (#    857:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 857, nxpk= 15, iat= 810, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           52 ALA  HN          4.50    (#    859:15  Unique         3.83, 3.96 A)
 &rst
  ixpk= 859, nxpk= 15, iat= 866, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HD-          56 PHE  HN          4.50    (#    861:15  Unique         5.82, 8.44 A)
 &rst
  ixpk= 861, nxpk= 15, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#   57 VAL  HA           61 LYS  HN          5.50    (#    863:15  Unique         3.93, 4.00 A)
 &rst
  ixpk= 863, nxpk= 15, iat= 916, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 VAL  HA           61 LYS  HN          5.50    (#    864:15  Unique         3.62, 3.63 A)
 &rst
  ixpk= 864, nxpk= 15, iat= 957, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ALA  HA           62 ASN  HN          4.50    (#    865:15  Unique         3.30, 3.37 A)
 &rst
  ixpk= 865, nxpk= 15, iat= 947, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 PHE  HB-          67 SER  HN          5.50    (#    866:15  Unique         3.49, 4.01 A)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   64 SER  HN           67 SER  HN          4.50    (#    867:15  Unique         4.09, 4.21 A)
 &rst
  ixpk= 867, nxpk= 15, iat=1014,1059, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LYS  QD           69 VAL  HN          4.50    (#    868:15  Unique         3.00, 5.28 A)
 &rst
  ixpk= 868, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1080,1081,
 &end
#
#    0 AMB  15-2:869     69 VAL  HN          4.50    (#    869:15  Single Ambig)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1075, 179, 180,
 &end
#
#    4 TYR  HA           77 SER  HN          5.50    (#    871:15  Unique         3.50, 3.66 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  59,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 SER  HN           86 PHE  HN          4.50    (#    872:15  Unique         4.08, 4.38 A)
 &rst
  ixpk= 872, nxpk= 15, iat=1374,1354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HN           90 TYR  HN          4.50    (#    873:15  Unique         4.41, 4.49 A)
 &rst
  ixpk= 873, nxpk= 15, iat=1404,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HN           89 VAL  HN          4.50    (#    874:15  Unique         4.41, 4.49 A)
 &rst
  ixpk= 874, nxpk= 15, iat=1420,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLN  HB3           4 TYR  HN          5.50    (#    877:15  Unique         3.82, 4.11 A)
 &rst
  ixpk= 877, nxpk= 15, iat=  45,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 SER  HN           80 LEU  HN          4.50    (#    878:15  Unique         4.34, 4.55 A)
 &rst
  ixpk= 878, nxpk= 15, iat=1244,1255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  HN           87 SER  HN          5.50    (#    879:15  Unique         4.08, 4.38 A)
 &rst
  ixpk= 879, nxpk= 15, iat=1354,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ASN  HD2-         36 ASN  HN          5.50    (#    880:15  Unique         3.64, 4.86 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 609, 610,
 &end
#
#   36 ASN  HB3          13 GLN  HE2+        4.50    (#    882:15  Unique         4.80, 6.19 A)
 &rst
  ixpk= 882, nxpk= 15, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#   26 ASP  HN           28 ARG  HN          5.50    (#    889:15  Unique         4.37, 4.46 A)
 &rst
  ixpk= 889, nxpk= 15, iat= 422, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LEU  HN           55 SER  HN          5.50    (#    890:15  Unique         4.40, 4.46 A)
 &rst
  ixpk= 890, nxpk= 15, iat= 847, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 VAL  HN           54 GLN  HN          5.50    (#    891:15  Unique         4.71, 4.78 A)
 &rst
  ixpk= 891, nxpk= 15, iat= 914, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:897     10 GLY  HN          5.50    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 671, 177,
 &end
#
#   70 THR  HN           10 GLY  HN          5.50    (#    898:15  Unique         4.34, 4.39 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1108, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 VAL  QG-          11 ARG  HN          5.50    (#    899:15  Unique         3.37, 5.06 A)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1, 175, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   11 ARG  HB+          12 VAL  HN          4.50    (#    900:15  Unique         4.50, 4.58 A)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   12 VAL  HN           11 ARG  HN          5.50    (#    901:15  Unique         3.86, 3.95 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 199, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 ARG  HN           12 VAL  HN          4.50    (#    902:15  Unique         3.86, 3.95 A)
 &rst
  ixpk= 902, nxpk= 15, iat= 175, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  QG+          13 GLN  HN          5.50    (#    903:15  Unique         3.70, 4.93 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   30 LEU  HN           28 ARG  HN          4.50    (#    907:15  Unique         3.13, 3.23 A)
 &rst
  ixpk= 907, nxpk= 15, iat= 502, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HB2          29 LYS  HN          4.50    (#    908:15  Unique         4.48, 4.53 A)
 &rst
  ixpk= 908, nxpk= 15, iat= 460, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ARG  HN           32 GLY  HN          4.50    (#    909:15  Unique         3.58, 3.98 A)
 &rst
  ixpk= 909, nxpk= 15, iat=1330, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HB-          33 TRP  HN          4.50    (#    910:15  Unique         3.40, 3.76 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 542, 543,
 &end
#
#   33 TRP  HB+          33 TRP  HN          4.50    (#    911:15  Unique         3.40, 3.76 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 542, 543,
 &end
#
#   86 PHE  QE           34 VAL  HN          4.50    (#    912:15  Unique         3.45, 4.52 A)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1364,1368,
 &end
#
#   43 GLU  HG+          43 GLU  HN          4.50    (#    915:15  Unique         4.11, 4.45 A)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
#    0 AMB  15-2:917     48 GLY  HN          5.50    (#    917:15  Single Ambig)
 &rst
  ixpk= 917, nxpk= 15, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 795, 796, 849,
 &end
#
#   60 VAL  HN           58 GLU  HN          5.50    (#    919:15  Unique         4.08, 4.14 A)
 &rst
  ixpk= 919, nxpk= 15, iat= 955, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 ARG  HN           86 PHE  HN          5.50    (#    923:15  Unique         4.31, 4.41 A)
 &rst
  ixpk= 923, nxpk= 15, iat=1330,1354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ILE  HN           87 SER  HN          4.50    (#    924:15  Unique         4.46, 4.52 A)
 &rst
  ixpk= 924, nxpk= 15, iat=1385,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:925     88 ILE  HN          4.50    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1374, 562,
 &end
#
#   34 VAL  QG+          88 ILE  HN          4.50    (#    926:15  Unique         4.28, 6.68 A)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   89 VAL  HB           91 SER  HN          5.50    (#    927:15  Unique         3.07, 3.75 A)
 &rst
  ixpk= 927, nxpk= 15, iat=1408,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ILE  HA            7 ILE  HN          5.50    (#    929:15  Unique         4.43, 4.48 A)
 &rst
  ixpk= 929, nxpk= 15, iat=1136, 121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TRP  HA           33 TRP  HN          2.80    (#    930:15  Unique         2.85, 2.88 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 540, 538, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ILE  HA           44 ILE  HN          4.50    (#    931:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PHE  HZ           63 GLY  HN          5.50    (#    932:15  Unique         4.00, 4.32 A)
 &rst
  ixpk= 932, nxpk= 15, iat= 274,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLY  HN           64 SER  HN          5.50    (#    933:15  Unique         4.52, 4.56 A)
 &rst
  ixpk= 933, nxpk= 15, iat=1007,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:934     64 SER  HN          5.50    (#    934:15  Single Ambig)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   67 SER  HN           68 LYS  HN          4.50    (#    939:15  Unique         4.54, 4.55 A)
 &rst
  ixpk= 939, nxpk= 15, iat=1059,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 VAL  QG-          68 LYS  HN          5.50    (#    940:15  Unique         3.52, 5.18 A)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  15-2:941     68 LYS  HN          2.80    (#    941:15  Single Ambig)
 &rst
  ixpk= 941, nxpk= 15, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,1074,1075,
 &end
#
#    0 AMB  15-2:942      0 AMB  15-1:942    4.50    (#    942:15  Double Ambig)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1112, 789, 790,
 igr2=1108, 772,
 &end
#
#    0 AMB  15-2:943     70 THR  HN          4.50    (#    943:15  Single Ambig)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 168,
 &end
#
#    0 AMB  15-2:944     71 ASP  HN          5.50    (#    944:15  Single Ambig)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1136, 158,
 &end
#
#   74 VAL  HA           73 SER  HN          5.50    (#    945:15  Unique         4.79, 4.81 A)
 &rst
  ixpk= 945, nxpk= 15, iat=1166,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 VAL  HA           75 THR  HN          2.80    (#    946:15  Unique         2.20, 2.22 A)
 &rst
  ixpk= 946, nxpk= 15, iat=1166,1180, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-2:949     77 SER  HN          4.50    (#    949:15  Single Ambig)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   81 GLU  HG+          81 GLU  HN          4.50    (#    952:15  Unique         1.99, 3.11 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1281,1282,
 &end
#
#   31 ALA  QB           83 HIS  HN          5.50    (#    953:15  Unique         3.50, 4.73 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 525, 526, 527,
 &end
#
#   81 GLU  QB           83 HIS  HN          5.50    (#    954:15  Unique         2.08, 3.95 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1278,1279,
 &end
#
#   60 VAL  QG2          59 ALA  HN          5.50    (#    956:15  Unique         4.54, 5.60 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 965, 966, 967,
 &end
#
#   58 GLU  HN           60 VAL  HN          4.50    (#    957:15  Unique         4.08, 4.14 A)
 &rst
  ixpk= 957, nxpk= 15, iat= 930, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  QE           90 TYR  HN          5.50    (#    959:15  Unique         3.87, 6.73 A)
 &rst
  ixpk= 959, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1430,1435,
 &end
#
#   13 GLN  HG-          13 GLN  HN          4.50    (#    960:15  Unique         4.02, 4.56 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 223,
 &end
#
#   20 PHE  HA           21 VAL  HN          5.50    (#    962:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 962, nxpk= 15, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLU  HG+          47 GLU  HN          4.50    (#    963:15  Unique         2.54, 3.44 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 779, 780,
 &end
#
#   17 PHE  HB-          18 ARG  HN          5.50    (#    964:15  Unique         2.42, 3.15 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 266, 267,
 &end
#
#   62 ASN  QB           62 ASN  HD2+        2.80    (#    965:15  Unique         2.40, 3.45 A)
 &rst
  ixpk= 965, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 997, 998,
 igr2=1002,1003,
 &end
#
#   13 GLN  HB2          13 GLN  HE2+        4.50    (#    966:15  Unique         4.10, 4.65 A)
 &rst
  ixpk= 966, nxpk= 15, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#    0 AMB  15-2:968      0 AMB  15-1:968    5.50    (#    968:15  Double Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 292, 293, 604,
 igr2= 227, 228, 227, 228,
 &end
#
#   44 ILE  QG1          44 ILE  HN          3.50    (#    969:15  Unique         2.35, 3.42 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 734, 735,
 &end
#
#    3 GLN  HB3           3 GLN  HE2-        5.50    (#    988:15  Unique         3.04, 3.69 A)
 &rst
  ixpk= 988, nxpk= 15, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  52,  53,
 &end
#
#   54 GLN  HB3          56 PHE  HN          5.50    (#    990:15  Unique         5.16, 5.20 A)
 &rst
  ixpk= 990, nxpk= 15, iat= 871, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 VAL  HN           41 ARG  HN          4.50    (#    991:15  Unique         4.56, 4.59 A)
 &rst
  ixpk= 991, nxpk= 15, iat= 693, 669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  HA           30 LEU  HN          5.50    (#    992:15  Unique         3.18, 3.43 A)
 &rst
  ixpk= 992, nxpk= 15, iat= 414, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HG           28 ARG  HN          5.50    (#    997:15  Unique         3.18, 4.47 A)
 &rst
  ixpk= 997, nxpk= 15, iat= 509, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HA           28 ARG  HN          5.50    (#    998:15  Unique         3.87, 3.99 A)
 &rst
  ixpk= 998, nxpk= 15, iat= 414, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 GLN  HB2          54 GLN  HE2-        5.50    (#    999:15  Unique         3.80, 4.81 A)
 &rst
  ixpk= 999, nxpk= 15, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 878, 879,
 &end
#
#   54 GLN  HG+          54 GLN  HE2-        5.50    (#   1000:15  Unique         2.23, 3.34 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 873, 874,
 igr2= 878, 879,
 &end
#
#    0 AMB  15-2:1002    22 GLN  HE2-        5.50    (#   1002:15  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 412,1385,
 igr2= 375, 376,
 &end
#
#    0 AMB  15-2:1007     0 AMB  15-1:1007   4.50    (#   1007:15  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 227, 228, 227, 228,
 &end
#
#   14 GLY  HN           36 ASN  HD2+        5.50    (#   1011:15  Unique         7.38, 8.38 A)
 &rst
  ixpk= 1011, nxpk= 15, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 609, 610,
 &end
#
#   36 ASN  HN           36 ASN  HD2-        5.50    (#   1012:15  Unique         3.64, 4.86 A)
 &rst
  ixpk= 1012, nxpk= 15, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 609, 610,
 &end
#
#   14 GLY  HN           36 ASN  HD2-        5.50    (#   1013:15  Unique         7.38, 8.38 A)
 &rst
  ixpk= 1013, nxpk= 15, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 609, 610,
 &end
#
#   33 TRP  HZ2          33 TRP  HE1         5.50    (#   1014:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1014, nxpk= 15, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#


#
#    2 LEU  HG            2 LEU  HB+         2.80    (#      0:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 0, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-3:1        0 AMB  25-1:1      5.50    (#      1:25  Double Ambig)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=  25,  26,  25,  26,
 &end
#
#   53 LEU  QD-           2 LEU  HB+         4.50    (#      2:25  Unique         2.15, 5.15 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  25,  26,
 &end
#
#    2 LEU  HA            2 LEU  HB+         4.50    (#      3:25  Unique         2.49, 2.81 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 LEU  HG            2 LEU  HB-         2.80    (#      4:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 4, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-3:5        2 LEU  HB-         5.50    (#      5:25  Single Ambig)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=  25,  26,
 &end
#
#   53 LEU  QD-           2 LEU  HB-         4.50    (#      6:25  Unique         2.15, 5.15 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  25,  26,
 &end
#
#    3 GLN  HN            2 LEU  HB-         4.50    (#      7:25  Unique         3.00, 3.71 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 LEU  HA            2 LEU  HB-         4.50    (#      8:25  Unique         2.49, 2.81 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#   16 GLY  HN           16 GLY  QA          3.50    (#      9:25  Unique         2.27, 2.56 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 257, 258,
 &end
#
#   14 GLY  HN           14 GLY  QA          2.80    (#     10:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 10, nxpk= 25, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 234, 235,
 &end
#
#   15 VAL  HN           14 GLY  QA          4.50    (#     11:25  Unique         3.20, 3.34 A)
 &rst
  ixpk= 11, nxpk= 25, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 234, 235,
 &end
#
#   49 PRO  HD+          48 GLY  HA-         3.50    (#     12:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   30 LEU  QD-          48 GLY  HA-         3.50    (#     13:25  Unique         2.05, 4.40 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 789, 790,
 &end
#
#   49 PRO  HD-          48 GLY  HA+         4.50    (#     14:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   49 PRO  HD+          48 GLY  HA+         3.50    (#     15:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   30 LEU  QD-          48 GLY  HA+         3.50    (#     16:25  Unique         2.05, 4.40 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 789, 790,
 &end
#
#   82 GLY  HN           82 GLY  HA+         3.50    (#     18:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 18, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1291,1292,
 &end
#
#   83 HIS  HN           82 GLY  HA-         3.50    (#     19:25  Unique         2.50, 3.21 A)
 &rst
  ixpk= 19, nxpk= 25, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1291,1292,
 &end
#
#   82 GLY  HN           82 GLY  HA-         2.80    (#     20:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 20, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1291,1292,
 &end
#
#   40 GLY  HN           40 GLY  HA+         3.50    (#     22:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 22, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 664, 665,
 &end
#
#    9 ASP  HN            9 ASP  HB3         3.50    (#     30:25  Unique         2.57, 2.68 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 156, 161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HA            9 ASP  HB3         5.50    (#     31:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ASP  HA            9 ASP  HB2         3.50    (#     32:25  Unique         2.47, 2.52 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HN            9 ASP  HB2         3.50    (#     33:25  Unique         2.92, 3.07 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 ASP  HB-           9 ASP  HB2         3.50    (#     35:25  Unique         3.23, 4.31 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1126,1127,
 &end
#
#   63 GLY  HN           63 GLY  HA+         3.50    (#     36:25  Unique         2.25, 2.54 A)
 &rst
  ixpk= 36, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1009,1010,
 &end
#
#    0 AMB  25-3:37       0 AMB  25-1:37     3.50    (#     37:25  Double Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 igr2=1009,1010,1009,1010,
 &end
#
#   10 GLY  HN           10 GLY  HA-         3.50    (#     40:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 40, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#   70 THR  QG2          10 GLY  HA-         3.50    (#     43:25  Unique         2.59, 3.65 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2= 170, 171,
 &end
#
#   11 ARG  HN           10 GLY  HA-         3.50    (#     44:25  Unique         2.23, 2.57 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#    0 AMB  25-3:45      63 GLY  HA-         4.50    (#     45:25  Single Ambig)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 272, 276,1014,
 igr2=1009,1010,
 &end
#
#   71 ASP  HN           71 ASP  HB+         4.50    (#     47:25  Unique         2.86, 3.24 A)
 &rst
  ixpk= 47, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1126,1127,
 &end
#
#   71 ASP  HA           71 ASP  HB+         3.50    (#     48:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 48, nxpk= 25, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1126,1127,
 &end
#
#   71 ASP  HA           71 ASP  HB-         2.80    (#     50:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 50, nxpk= 25, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1126,1127,
 &end
#
#   37 ARG  HG-          37 ARG  HD+         3.50    (#     52:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 621, 622,
 igr2= 624, 625,
 &end
#
#   37 ARG  HG+          37 ARG  HD+         3.50    (#     55:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 621, 622,
 igr2= 624, 625,
 &end
#
#   37 ARG  HB2          37 ARG  HD+         3.50    (#     56:25  Unique         2.48, 3.08 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 624, 625,
 &end
#
#   37 ARG  HB2          37 ARG  HD-         3.50    (#     62:25  Unique         2.48, 3.08 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 624, 625,
 &end
#
#   41 ARG  HG+          41 ARG  QD          2.80    (#     63:25  Unique         2.19, 2.71 A)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 676, 677,
 igr2= 679, 680,
 &end
#
#    0 AMB  25-3:64       0 AMB  25-1:64     2.80    (#     64:25  Double Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 127, 128, 129, 134, 135, 136,
 igr2= 679, 680, 624, 625,
 &end
#
#    0 AMB  25-3:66       0 AMB  25-1:66     4.50    (#     66:25  Double Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 160, 591, 592,
 igr2= 679, 680, 624, 625,
 &end
#
#    0 AMB  25-3:67       0 AMB  25-1:67     2.80    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 673, 674, 621, 622,
 igr2= 679, 680, 624, 625,
 &end
#
#    0 AMB  25-3:68       0 AMB  25-1:68     2.80    (#     68:25  Double Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 676, 677, 621, 622,
 igr2= 679, 680, 624, 625,
 &end
#
#   11 ARG  HB+          11 ARG  HD+         3.50    (#     73:25  Unique         2.36, 3.23 A)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#    0 AMB  25-3:74       0 AMB  25-1:74     2.80    (#     74:25  Double Ambig)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 182, 183, 179, 180,1224,1225,
 igr2= 185, 186, 185, 186,1230,1231,
 &end
#
#   11 ARG  HG+          11 ARG  HD+         3.50    (#     75:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   15 VAL  QG+          11 ARG  HD+         4.50    (#     76:25  Unique         2.30, 4.74 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 185, 186,
 &end
#
#    5 ARG  HG-           5 ARG  HD+         4.50    (#     77:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#   78 ARG  HB+          78 ARG  QD          3.50    (#     78:25  Unique         2.36, 3.46 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1224,1225,
 igr2=1230,1231,
 &end
#
#   78 ARG  HB-          78 ARG  QD          2.80    (#     79:25  Unique         2.36, 3.46 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1224,1225,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-3:80      78 ARG  QD          3.50    (#     80:25  Single Ambig)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1230,1231,
 &end
#
#   85 ARG  HB+          85 ARG  QD          2.80    (#     82:25  Unique         2.36, 3.21 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   85 ARG  HG+          85 ARG  QD          3.50    (#     83:25  Unique         2.21, 2.65 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#   85 ARG  HG-          85 ARG  QD          3.50    (#     84:25  Unique         2.21, 2.65 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#    5 ARG  HG-           5 ARG  HD+         3.50    (#     86:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG+           5 ARG  HD+         3.50    (#     87:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HE            5 ARG  HD-         4.50    (#     88:25  Unique         2.33, 2.77 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG+           5 ARG  HD-         3.50    (#     90:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 ARG  HG-           5 ARG  HD-         4.50    (#     91:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#   30 LEU  QD+          30 LEU  HB2         3.50    (#     93:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HA           30 LEU  HB3         4.50    (#     94:25  Unique         2.50, 2.56 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 504, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  QD-          30 LEU  HB3         3.50    (#     96:25  Unique         2.43, 3.35 A)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   45 LEU  QD+          45 LEU  HB+         3.50    (#     98:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 98, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   88 ILE  QG2          18 ARG  HD+         3.50    (#    102:25  Unique         2.36, 4.46 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1391,1392,1393,
 igr2= 292, 293,
 &end
#
#   88 ILE  QG2          18 ARG  HD-         3.50    (#    103:25  Unique         2.36, 4.46 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1391,1392,1393,
 igr2= 292, 293,
 &end
#
#   82 GLY  HN           80 LEU  QB          3.50    (#    105:25  Unique         2.35, 3.80 A)
 &rst
  ixpk= 105, nxpk= 25, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1259,1260,
 &end
#
#   80 LEU  QD+          80 LEU  QB          3.50    (#    106:25  Unique         2.30, 3.33 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=1259,1260,
 &end
#
#   80 LEU  QD-          80 LEU  QB          3.50    (#    107:25  Unique         2.30, 3.33 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=1259,1260,
 &end
#
#   80 LEU  HN           80 LEU  QB          4.50    (#    108:25  Unique         2.39, 3.22 A)
 &rst
  ixpk= 108, nxpk= 25, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1259,1260,
 &end
#
#   80 LEU  HA           80 LEU  QB          3.50    (#    109:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 109, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1259,1260,
 &end
#
#   44 ILE  HN           44 ILE  HB          3.50    (#    110:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:111     44 ILE  HB          2.80    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 730, 731, 732, 734, 735,
 &end
#
#    0 AMB  25-3:112      0 AMB  25-1:112    4.50    (#    112:25  Double Ambig)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 490, 491, 981, 982,
 igr2= 493, 494, 984, 985,
 &end
#
#   29 LYS  QG           29 LYS  QE          3.50    (#    113:25  Unique         2.39, 3.05 A)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 487, 488,
 igr2= 493, 494,
 &end
#
#    0 AMB  25-3:114     68 LYS  QE          2.80    (#    114:25  Single Ambig)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1074,1075,1080,1081,
 igr2=1083,1084,
 &end
#
#   70 THR  QG2          68 LYS  QE          4.50    (#    115:25  Unique         2.38, 4.46 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2=1083,1084,
 &end
#
#    0 AMB  25-3:116      6 ILE  HB          3.50    (#    116:25  Single Ambig)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 116, 117, 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:117      6 ILE  HB          2.80    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 737, 738, 739, 108, 109, 110,
 &end
#
#   27 LYS  QG           27 LYS  HE-         3.50    (#    118:25  Unique         2.31, 3.54 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 441, 442,
 igr2= 447, 448,
 &end
#
#   27 LYS  QD           27 LYS  HE-         3.50    (#    119:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445,
 igr2= 447, 448,
 &end
#
#   35 LYS  HD-          35 LYS  HE-         3.50    (#    120:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#    0 AMB  25-3:121     35 LYS  HE-         3.50    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 585, 586, 621, 622,
 igr2= 591, 592,
 &end
#
#   35 LYS  HD+          35 LYS  HE+         3.50    (#    122:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#   35 LYS  HD+          35 LYS  HE-         4.50    (#    123:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#   35 LYS  HG-          35 LYS  HE+         4.50    (#    125:25  Unique         2.25, 3.09 A)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 585, 586,
 igr2= 591, 592,
 &end
#
#    6 ILE  HN            6 ILE  HB          4.50    (#    126:25  Unique         2.71, 2.78 A)
 &rst
  ixpk= 126, nxpk= 25, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HA           72 ILE  HB          3.50    (#    127:25  Unique         2.38, 2.42 A)
 &rst
  ixpk= 127, nxpk= 25, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 ILE  QD1          72 ILE  HB          3.50    (#    128:25  Unique         2.44, 3.09 A)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1147,1148,1149,
 &end
#
#    0 AMB  25-3:131     72 ILE  HB          2.80    (#    131:25  Single Ambig)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,1144,1145,
 &end
#
#   72 ILE  QG2          72 ILE  HB          2.80    (#    132:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1140,1141,1142,
 &end
#
#   17 PHE  QD           17 PHE  HB+         4.50    (#    133:25  Unique         2.33, 3.06 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 270, 278,
 igr2= 266, 267,
 &end
#
#   15 VAL  QG-          17 PHE  HB+         3.50    (#    135:25  Unique         2.26, 5.50 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 266, 267,
 &end
#
#   17 PHE  QD           17 PHE  HB-         5.50    (#    138:25  Unique         2.33, 3.06 A)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 270, 278,
 igr2= 266, 267,
 &end
#
#   17 PHE  HA           17 PHE  HB-         4.50    (#    139:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 266, 267,
 &end
#
#   15 VAL  QG-          17 PHE  HB-         3.50    (#    141:25  Unique         2.26, 5.50 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 266, 267,
 &end
#
#   17 PHE  HN           17 PHE  HB-         3.50    (#    142:25  Unique         2.15, 2.49 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   53 LEU  QD-          53 LEU  HB2         3.50    (#    144:25  Unique         2.38, 3.51 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HN           53 LEU  HB2         4.50    (#    146:25  Unique         2.29, 2.38 A)
 &rst
  ixpk= 146, nxpk= 25, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HA           53 LEU  HB2         4.50    (#    147:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 147, nxpk= 25, iat= 810, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD-          53 LEU  HB3         4.50    (#    148:25  Unique         2.42, 3.13 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HA            4 TYR  HB3         3.50    (#    151:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  59,  62, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 VAL  QG+           4 TYR  HB3         4.50    (#    152:25  Unique         3.39, 5.58 A)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   53 LEU  QD+           4 TYR  HB2         5.50    (#    156:25  Unique         2.88, 5.22 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HN            4 TYR  HB2         4.50    (#    157:25  Unique         2.52, 3.74 A)
 &rst
  ixpk= 157, nxpk= 25, iat=  57,  61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  QD1           4 TYR  HB2         3.50    (#    158:25  Unique         2.56, 3.62 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 115, 116, 117,
 &end
#
#   56 PHE  HN           56 PHE  HB3         3.50    (#    161:25  Unique         2.21, 2.48 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  HN           56 PHE  HB3         4.50    (#    163:25  Unique         2.58, 2.67 A)
 &rst
  ixpk= 163, nxpk= 25, iat= 914, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           56 PHE  HB3         4.50    (#    164:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1, 899, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   53 LEU  HA           56 PHE  HB3         3.50    (#    165:25  Unique         2.13, 2.39 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 849, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HN           86 PHE  HB3         4.50    (#    166:25  Unique         2.53, 2.66 A)
 &rst
  ixpk= 166, nxpk= 25, iat=1354,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           56 PHE  HB2         4.50    (#    167:25  Unique         2.46, 3.10 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   56 PHE  HA           56 PHE  HB2         3.50    (#    169:25  Unique         2.36, 2.47 A)
 &rst
  ixpk= 169, nxpk= 25, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HA           38 ASP  QB          2.80    (#    171:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 642, 643,
 &end
#
#   39 ASP  HA           39 ASP  HB2         2.80    (#    174:25  Unique         2.28, 2.44 A)
 &rst
  ixpk= 174, nxpk= 25, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HA           26 ASP  HB2         3.50    (#    175:25  Unique         2.53, 2.55 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HA           26 ASP  HB2         3.50    (#    177:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 382, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  HN           26 ASP  HB2         5.50    (#    178:25  Unique         3.75, 3.82 A)
 &rst
  ixpk= 178, nxpk= 25, iat= 434, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  HN           26 ASP  HB3         4.50    (#    180:25  Unique         2.48, 2.59 A)
 &rst
  ixpk= 180, nxpk= 25, iat= 434, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HA           26 ASP  HB3         4.50    (#    182:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 182, nxpk= 25, iat= 424, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  QD           90 TYR  HB2         4.50    (#    184:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1428,1437,
 &end
#
#   90 TYR  HA           90 TYR  HB2         4.50    (#    185:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 185, nxpk= 25, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HN           90 TYR  HB3         4.50    (#    186:25  Unique         2.51, 2.58 A)
 &rst
  ixpk= 186, nxpk= 25, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  QD           90 TYR  HB3         3.50    (#    187:25  Unique         2.37, 3.07 A)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1428,1437,
 &end
#
#   90 TYR  HN           90 TYR  HB3         4.50    (#    189:25  Unique         2.51, 2.58 A)
 &rst
  ixpk= 189, nxpk= 25, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HD2+         62 ASN  QB          2.80    (#    190:25  Unique         2.40, 3.45 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#   62 ASN  HN           62 ASN  QB          2.80    (#    191:25  Unique         2.48, 2.58 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#   62 ASN  HD2-         62 ASN  QB          3.50    (#    192:25  Unique         2.40, 3.45 A)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1002,1003,
 igr2= 997, 998,
 &end
#
#   62 ASN  HA           62 ASN  QB          2.80    (#    193:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 997, 998,
 &end
#
#   59 ALA  HA           62 ASN  QB          3.50    (#    194:25  Unique         2.95, 3.22 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   63 GLY  HN           62 ASN  QB          3.50    (#    195:25  Unique         2.85, 3.47 A)
 &rst
  ixpk= 195, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#    7 ILE  QG2           7 ILE  HB          2.80    (#    197:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 127, 128, 129,
 &end
#
#    7 ILE  HA            7 ILE  HB          4.50    (#    198:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 ILE  HG1-          7 ILE  HB          3.50    (#    199:25  Unique         2.38, 2.44 A)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 131, 132,
 &end
#
#   88 ILE  HG1-         88 ILE  HB          4.50    (#    200:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1395,1396,
 &end
#
#   66 PHE  HA           66 PHE  HB+         2.80    (#    201:25  Unique         2.40, 2.72 A)
 &rst
  ixpk= 201, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1043,1044,
 &end
#
#   20 PHE  HN           20 PHE  HB+         4.50    (#    203:25  Unique         2.23, 2.55 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   20 PHE  QD           20 PHE  HB+         4.50    (#    204:25  Unique         2.37, 3.08 A)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   20 PHE  HA           20 PHE  HB+         3.50    (#    206:25  Unique         2.29, 2.68 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   20 PHE  QD           20 PHE  HB-         3.50    (#    208:25  Unique         2.37, 3.08 A)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   20 PHE  HN           20 PHE  HB-         3.50    (#    209:25  Unique         2.23, 2.55 A)
 &rst
  ixpk= 209, nxpk= 25, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   17 PHE  HA           20 PHE  HB-         3.50    (#    210:25  Unique         2.24, 2.94 A)
 &rst
  ixpk= 210, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   20 PHE  HA           20 PHE  HB-         3.50    (#    212:25  Unique         2.29, 2.68 A)
 &rst
  ixpk= 212, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 331, 332,
 &end
#
#   88 ILE  QG2          88 ILE  HB          2.80    (#    214:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 214, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1391,1392,1393,
 &end
#
#   88 ILE  HN           88 ILE  HB          3.50    (#    215:25  Unique         2.38, 2.47 A)
 &rst
  ixpk= 215, nxpk= 25, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ILE  QD1          88 ILE  HB          3.50    (#    216:25  Unique         2.33, 3.00 A)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1398,1399,1400,
 &end
#
#   19 TYR  HA           19 TYR  HB2         3.50    (#    217:25  Unique         2.48, 2.69 A)
 &rst
  ixpk= 217, nxpk= 25, iat= 308, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  QD           19 TYR  HB2         3.50    (#    218:25  Unique         2.44, 3.09 A)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 323,
 &end
#
#   19 TYR  HN           19 TYR  HB3         3.50    (#    219:25  Unique         2.53, 2.94 A)
 &rst
  ixpk= 219, nxpk= 25, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  QD           19 TYR  HB3         3.50    (#    220:25  Unique         2.40, 3.08 A)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 323,
 &end
#
#   19 TYR  HA           19 TYR  HB3         3.50    (#    221:25  Unique         2.47, 2.85 A)
 &rst
  ixpk= 221, nxpk= 25, iat= 308, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HD2-         36 ASN  HB2         4.50    (#    222:25  Unique         2.64, 3.50 A)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 609, 610,
 &end
#
#   36 ASN  HN           36 ASN  HB2         5.50    (#    223:25  Unique         2.93, 3.18 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 VAL  QG-          35 LYS  HB3         3.50    (#    224:25  Unique         2.27, 3.79 A)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HA           35 LYS  HB3         3.50    (#    225:25  Unique         2.42, 2.51 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HG+          35 LYS  HB3         3.50    (#    226:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   36 ASN  HN           36 ASN  HB3         3.50    (#    227:25  Unique         2.16, 2.27 A)
 &rst
  ixpk= 227, nxpk= 25, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  QB           81 GLU  HG-         2.80    (#    229:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1278,1279,
 igr2=1281,1282,
 &end
#
#   81 GLU  HA           81 GLU  HG-         4.50    (#    230:25  Unique         2.35, 3.55 A)
 &rst
  ixpk= 230, nxpk= 25, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1281,1282,
 &end
#
#   81 GLU  HA           81 GLU  HG+         3.50    (#    231:25  Unique         2.35, 3.55 A)
 &rst
  ixpk= 231, nxpk= 25, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1281,1282,
 &end
#
#    0 AMB  25-3:232      0 AMB  25-1:232    3.50    (#    232:25  Double Ambig)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 776, 777,1278,1279,
 igr2=1281,1282,1281,1282,
 &end
#
#   51 ASN  HN           51 ASN  QB          3.50    (#    233:25  Unique         2.47, 2.55 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 827, 828,
 &end
#
#   52 ALA  HN           51 ASN  QB          4.50    (#    234:25  Unique         2.84, 3.51 A)
 &rst
  ixpk= 234, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 827, 828,
 &end
#
#   51 ASN  HA           51 ASN  QB          2.80    (#    235:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 235, nxpk= 25, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 827, 828,
 &end
#
#    0 AMB  25-3:236      3 GLN  HG-         2.80    (#    236:25  Single Ambig)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 779, 780,  44,
 igr2=  47,  48,
 &end
#
#    3 GLN  HB3           3 GLN  HG-         3.50    (#    238:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 238, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  47,  48,
 &end
#
#   50 GLU  HA           50 GLU  HG+         4.50    (#    239:25  Unique         2.53, 2.92 A)
 &rst
  ixpk= 239, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 815, 816,
 &end
#
#   50 GLU  QB           50 GLU  HG+         2.80    (#    241:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 812, 813,
 igr2= 815, 816,
 &end
#
#    0 AMB  25-3:242      0 AMB  25-1:242    5.50    (#    242:25  Double Ambig)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2= 815, 816, 815, 816,
 &end
#
#   50 GLU  HA           50 GLU  HG-         4.50    (#    243:25  Unique         2.53, 2.92 A)
 &rst
  ixpk= 243, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 815, 816,
 &end
#
#    0 AMB  25-3:244     50 GLU  HG-         3.50    (#    244:25  Single Ambig)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2= 815, 816,
 &end
#
#    0 AMB  25-3:246      0 AMB  25-1:246    2.80    (#    246:25  Double Ambig)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 779, 780,  44,
 igr2=  47,  48,  47,  48,
 &end
#
#    3 GLN  HB3           3 GLN  HG+         3.50    (#    247:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 247, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  47,  48,
 &end
#
#   58 GLU  HN           58 GLU  HG+         3.50    (#    250:25  Unique         2.25, 2.88 A)
 &rst
  ixpk= 250, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   58 GLU  HA           58 GLU  HG+         4.50    (#    251:25  Unique         2.46, 3.20 A)
 &rst
  ixpk= 251, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   58 GLU  HN           58 GLU  HG-         4.50    (#    252:25  Unique         2.25, 2.88 A)
 &rst
  ixpk= 252, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   58 GLU  HA           58 GLU  HG-         4.50    (#    254:25  Unique         2.46, 3.20 A)
 &rst
  ixpk= 254, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   42 VAL  HN           42 VAL  HB          3.50    (#    255:25  Unique         2.43, 2.57 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  HB           42 VAL  HB          2.80    (#    256:25  Unique         2.32, 2.51 A)
 &rst
  ixpk= 256, nxpk= 25, iat= 144, 697, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:257     42 VAL  HB          2.80    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   34 VAL  HA           34 VAL  HB          3.50    (#    262:25  Unique         2.44, 2.45 A)
 &rst
  ixpk= 262, nxpk= 25, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  QG+          34 VAL  HB          2.80    (#    263:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:264     34 VAL  HB          2.80    (#    264:25  Single Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 568, 569, 570, 572, 573, 574, 730, 731, 732,
 &end
#
#   21 VAL  QG+          34 VAL  HB          3.50    (#    265:25  Unique         2.34, 4.14 A)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   74 VAL  HN           74 VAL  HB          3.50    (#    267:25  Unique         2.70, 2.73 A)
 &rst
  ixpk= 267, nxpk= 25, iat=1164,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 VAL  QG+          74 VAL  HB          2.80    (#    268:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  QG-          74 VAL  HB          2.80    (#    269:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-3:271      0 AMB  25-1:271    3.50    (#    271:25  Double Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 871, 815, 816,
 igr2= 873, 874, 873, 874,
 &end
#
#   50 GLU  HG-          54 GLN  HG+         3.50    (#    272:25  Unique         2.93, 3.57 A)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 815, 816,
 igr2= 873, 874,
 &end
#
#   54 GLN  HE2+         54 GLN  HG-         4.50    (#    273:25  Unique         2.23, 3.34 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 878, 879,
 igr2= 873, 874,
 &end
#
#    0 AMB  25-3:274     54 GLN  HG-         3.50    (#    274:25  Single Ambig)
 &rst
  ixpk= 274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 871, 815, 816,
 igr2= 873, 874,
 &end
#
#   54 GLN  HB2          54 GLN  HG-         2.80    (#    275:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 275, nxpk= 25, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 873, 874,
 &end
#
#   54 GLN  HA           54 GLN  HG-         3.50    (#    276:25  Unique         2.65, 3.27 A)
 &rst
  ixpk= 276, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#    3 GLN  HA            3 GLN  HB2         3.50    (#    278:25  Unique         2.39, 2.48 A)
 &rst
  ixpk= 278, nxpk= 25, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 GLN  HG+           3 GLN  HB2         3.50    (#    280:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  47,  48,
 &end
#
#    3 GLN  HA            3 GLN  HB3         4.50    (#    281:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 281, nxpk= 25, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:282      0 AMB  25-1:282    3.50    (#    282:25  Double Ambig)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  47,  48, 591, 592,
 igr2=  45, 713, 714,
 &end
#
#    0 AMB  25-3:284      0 AMB  25-1:284    2.80    (#    284:25  Double Ambig)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  47,  48, 697,
 igr2=  45, 144,
 &end
#
#    0 AMB  25-3:285      8 VAL  HB          3.50    (#    285:25  Single Ambig)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#    8 VAL  QG+           8 VAL  HB          3.50    (#    286:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  QG-           8 VAL  HB          2.80    (#    287:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:288      0 AMB  25-1:288    4.50    (#    288:25  Double Ambig)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 205, 206, 207, 209, 210, 211,1264,1265,1266,1268,
      1269,1270,
 igr2= 144,  45,
 &end
#
#   68 LYS  HA           68 LYS  HB-         3.50    (#    289:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 289, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   68 LYS  HA           68 LYS  HB+         3.50    (#    290:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 290, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1074,1075,
 &end
#
#   68 LYS  HG-          68 LYS  HB-         4.50    (#    291:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 291, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   68 LYS  HG+          68 LYS  HB-         4.50    (#    292:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   22 GLN  HE2+         22 GLN  QG          5.50    (#    293:25  Unique         3.19, 3.71 A)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 375, 376,
 igr2= 370, 371,
 &end
#
#   22 GLN  HE2-         22 GLN  QG          3.50    (#    294:25  Unique         3.19, 3.71 A)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 375, 376,
 igr2= 370, 371,
 &end
#
#   22 GLN  HA           22 GLN  QG          2.80    (#    295:25  Unique         2.63, 3.18 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 370, 371,
 &end
#
#   22 GLN  HB3          22 GLN  QG          2.80    (#    296:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 296, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 370, 371,
 &end
#
#   15 VAL  HA           15 VAL  HB          2.80    (#    297:25  Unique         2.52, 2.55 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 PHE  HB-          15 VAL  HB          4.50    (#    298:25  Unique         2.33, 3.17 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#   37 ARG  HG+          37 ARG  HB3         3.50    (#    299:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 621, 622,
 &end
#
#   37 ARG  HA           37 ARG  HB3         4.50    (#    301:25  Unique         2.52, 2.57 A)
 &rst
  ixpk= 301, nxpk= 25, iat= 616, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:304      0 AMB  25-1:304    4.50    (#    304:25  Double Ambig)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 401, 621, 622,
 igr2= 404, 405, 618,
 &end
#
#    0 AMB  25-3:308     76 GLU  QB          4.50    (#    308:25  Single Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1198,1199,
 &end
#
#   76 GLU  HA           76 GLU  QB          3.50    (#    309:25  Unique         2.39, 2.57 A)
 &rst
  ixpk= 309, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1198,1199,
 &end
#
#    0 AMB  25-3:310     75 THR  HB          4.50    (#    310:25  Single Ambig)
 &rst
  ixpk= 310, nxpk= 25, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1180,  78,
 &end
#
#   75 THR  HA           75 THR  HB          4.50    (#    312:25  Unique         2.97, 3.03 A)
 &rst
  ixpk= 312, nxpk= 25, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 THR  QG2          75 THR  HB          2.80    (#    313:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1186,1187,1188,
 &end
#
#   47 GLU  HN           47 GLU  QB          3.50    (#    314:25  Unique         2.42, 3.22 A)
 &rst
  ixpk= 314, nxpk= 25, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   31 ALA  QB           47 GLU  QB          4.50    (#    316:25  Unique         2.16, 4.21 A)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 525, 526, 527,
 igr2= 776, 777,
 &end
#
#   47 GLU  HA           47 GLU  QB          3.50    (#    317:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 317, nxpk= 25, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   12 VAL  HA           12 VAL  HB          3.50    (#    319:25  Unique         2.45, 2.46 A)
 &rst
  ixpk= 319, nxpk= 25, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:320     12 VAL  HB          3.50    (#    320:25  Single Ambig)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 &end
#
#   12 VAL  QG-          12 VAL  HB          2.80    (#    321:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  QG+          12 VAL  HB          2.80    (#    322:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   49 PRO  HA           49 PRO  HB+         3.50    (#    323:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 801, 802,
 &end
#
#   49 PRO  HG-          49 PRO  HB+         2.80    (#    324:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 798, 799,
 igr2= 801, 802,
 &end
#
#   52 ALA  QB           49 PRO  HB-         4.50    (#    325:25  Unique         2.84, 4.92 A)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 801, 802,
 &end
#
#   89 VAL  HN           89 VAL  HB          4.50    (#    326:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 326, nxpk= 25, iat=1404,1408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:327      0 AMB  25-1:327    2.80    (#    327:25  Double Ambig)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1410,1411,1412,1414,1415,1416,1264,1265,1266,1268,
      1269,1270,
 igr2=1408, 776, 777,
 &end
#
#   89 VAL  QG-          89 VAL  HB          2.80    (#    328:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1,1408, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   27 LYS  HN           27 LYS  QB          3.50    (#    329:25  Unique         2.24, 2.56 A)
 &rst
  ixpk= 329, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 438, 439,
 &end
#
#   27 LYS  HA           27 LYS  QB          3.50    (#    330:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 330, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 438, 439,
 &end
#
#   61 LYS  HA           61 LYS  HB+         3.50    (#    331:25  Unique         2.19, 2.53 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 975, 976,
 &end
#
#   31 ALA  QB           83 HIS  HB2         3.50    (#    336:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 525, 526, 527,
 &end
#
#   83 HIS  HA           83 HIS  HB2         4.50    (#    337:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 337, nxpk= 25, iat=1298,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 VAL  HN           33 TRP  HB+         4.50    (#    338:25  Unique         2.36, 3.06 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   33 TRP  HA           33 TRP  HB+         3.50    (#    339:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 339, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 542, 543,
 &end
#
#   89 VAL  QG-          33 TRP  HB-         3.50    (#    341:25  Unique         2.23, 4.92 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 542, 543,
 &end
#
#   34 VAL  HN           33 TRP  HB-         3.50    (#    342:25  Unique         2.36, 3.06 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 542, 543,
 &end
#
#   33 TRP  HA           33 TRP  HB-         4.50    (#    343:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 542, 543,
 &end
#
#   83 HIS  HN           83 HIS  HB3         4.50    (#    345:25  Unique         2.33, 2.64 A)
 &rst
  ixpk= 345, nxpk= 25, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ALA  QB           83 HIS  HB3         4.50    (#    347:25  Unique         2.08, 3.30 A)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 525, 526, 527,
 &end
#
#   49 PRO  HG+          49 PRO  HB+         3.50    (#    348:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 801, 802,
 &end
#
#   23 MET  HG-          23 MET  HB3         4.50    (#    349:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   69 VAL  HN           69 VAL  HB          2.80    (#    351:25  Unique         2.34, 2.49 A)
 &rst
  ixpk= 351, nxpk= 25, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:352     69 VAL  HB          2.80    (#    352:25  Single Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#   49 PRO  HA           49 PRO  HB-         3.50    (#    353:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 801, 802,
 &end
#
#   85 ARG  HA           85 ARG  HB+         2.80    (#    355:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 355, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1334,1335,
 &end
#
#   85 ARG  QD           85 ARG  HB+         3.50    (#    356:25  Unique         2.36, 3.21 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   87 SER  HB2          89 VAL  HB          5.50    (#    360:25  Unique         5.52, 5.55 A)
 &rst
  ixpk= 360, nxpk= 25, iat=1378,1408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 LYS  HN           61 LYS  HB+         3.50    (#    361:25  Unique         2.87, 3.43 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 975, 976,
 &end
#
#   23 MET  HG+          23 MET  HB3         3.50    (#    363:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   23 MET  HG-          23 MET  HB3         4.50    (#    364:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   23 MET  HG-          23 MET  HB2         3.50    (#    365:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#   23 MET  HB3          23 MET  HG+         3.50    (#    367:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 367, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#   85 ARG  HG-          85 ARG  HB+         3.50    (#    368:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   85 ARG  HG+          85 ARG  HB+         2.80    (#    369:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   86 PHE  HN           85 ARG  HB+         2.80    (#    370:25  Unique         2.06, 3.02 A)
 &rst
  ixpk= 370, nxpk= 25, iat=1354,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1334,1335,
 &end
#
#   23 MET  HB3          23 MET  HG-         4.50    (#    371:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   23 MET  HB2          23 MET  HG-         4.50    (#    372:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#    7 ILE  QG2          41 ARG  QB          2.80    (#    373:25  Unique         2.33, 3.47 A)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 127, 128, 129,
 igr2= 673, 674,
 &end
#
#   41 ARG  HN           41 ARG  QB          4.50    (#    374:25  Unique         2.15, 2.87 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 673, 674,
 &end
#
#   41 ARG  HA           41 ARG  QB          2.80    (#    375:25  Unique         2.61, 2.84 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 673, 674,
 &end
#
#    0 AMB  25-3:376     41 ARG  QB          2.80    (#    376:25  Single Ambig)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 679, 680, 624, 625,
 igr2= 673, 674,
 &end
#
#   42 VAL  HN           41 ARG  QB          3.50    (#    377:25  Unique         2.25, 3.05 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 673, 674,
 &end
#
#    0 AMB  25-3:379      0 AMB  25-1:379    5.50    (#    379:25  Double Ambig)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=   8,   9,  15,  16,  17,
 igr2=  11,  12,  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG+         5.50    (#    380:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HG-         5.50    (#    381:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 381, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG-         5.50    (#    382:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-3:383      5 ARG  HB3         4.50    (#    383:25  Single Ambig)
 &rst
  ixpk= 383, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,1180,
 &end
#
#   75 THR  HB            5 ARG  HB3         4.50    (#    385:25  Unique         2.15, 2.29 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1184,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HG+           5 ARG  HB2         4.50    (#    386:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    5 ARG  HA            5 ARG  HB2         4.50    (#    387:25  Unique         2.54, 2.57 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  80,  82, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 GLU  HN           57 VAL  HB          4.50    (#    389:25  Unique         2.56, 3.79 A)
 &rst
  ixpk= 389, nxpk= 25, iat= 930, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  HN           57 VAL  HB          2.80    (#    390:25  Unique         2.59, 2.70 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 VAL  HA           57 VAL  HB          4.50    (#    391:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  QG+          57 VAL  HB          2.80    (#    392:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  QG-          57 VAL  HB          2.80    (#    393:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 393, nxpk= 25, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   65 PRO  HA           65 PRO  HB+         3.50    (#    394:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 394, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1032,1033,
 &end
#
#   65 PRO  HG+          65 PRO  HB+         2.80    (#    395:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1029,1030,
 igr2=1032,1033,
 &end
#
#   52 ALA  QB           28 ARG  HB3         3.50    (#    398:25  Unique         2.36, 3.57 A)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 841, 842, 843,
 &end
#
#   60 VAL  QG2          60 VAL  HB          2.80    (#    399:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 965, 966, 967,
 &end
#
#   60 VAL  QG1          60 VAL  HB          2.80    (#    400:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 400, nxpk= 25, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 961, 962, 963,
 &end
#
#   28 ARG  HN           28 ARG  HB2         3.50    (#    401:25  Unique         3.00, 3.16 A)
 &rst
  ixpk= 401, nxpk= 25, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  QG-          21 VAL  HB          3.50    (#    405:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 405, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HN           21 VAL  HB          3.50    (#    406:25  Unique         2.32, 2.38 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HN           21 VAL  HB          4.50    (#    407:25  Unique         2.68, 2.75 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 363, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  QG+          21 VAL  HB          2.80    (#    408:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   18 ARG  HA           21 VAL  HB          5.50    (#    409:25  Unique         2.56, 2.69 A)
 &rst
  ixpk= 409, nxpk= 25, iat= 284, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 VAL  QG+          21 VAL  HB          3.50    (#    410:25  Unique         2.40, 3.78 A)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  QG-          21 VAL  HB          4.50    (#    411:25  Unique         2.40, 3.78 A)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   61 LYS  HN           60 VAL  HB          4.50    (#    412:25  Unique         2.65, 2.74 A)
 &rst
  ixpk= 412, nxpk= 25, iat= 971, 959, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  HA           60 VAL  HB          3.50    (#    413:25  Unique         2.10, 2.20 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 916, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HA           60 VAL  HB          3.50    (#    414:25  Unique         3.03, 3.03 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  HA           70 THR  HB          3.50    (#    416:25  Unique         2.46, 2.48 A)
 &rst
  ixpk= 416, nxpk= 25, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  QG2          70 THR  HB          2.80    (#    417:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1114,1115,1116,
 &end
#
#   84 HIS  HA           84 HIS  HB+         3.50    (#    419:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 419, nxpk= 25, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1317,1318,
 &end
#
#   84 HIS  HA           84 HIS  HB-         3.50    (#    420:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 420, nxpk= 25, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1317,1318,
 &end
#
#    0 AMB  25-3:424     81 GLU  QB          2.80    (#    424:25  Single Ambig)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 779, 780,1281,1282,
 igr2=1278,1279,
 &end
#
#   81 GLU  HA           81 GLU  QB          3.50    (#    425:25  Unique         2.21, 2.58 A)
 &rst
  ixpk= 425, nxpk= 25, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1278,1279,
 &end
#
#   78 ARG  QD           78 ARG  HB+         4.50    (#    426:25  Unique         2.36, 3.46 A)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1230,1231,
 igr2=1224,1225,
 &end
#
#   78 ARG  HA           78 ARG  HB+         3.50    (#    428:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 428, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1224,1225,
 &end
#
#   67 SER  HA           67 SER  QB          2.80    (#    430:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 430, nxpk= 25, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1063,1064,
 &end
#
#   63 GLY  HA+          67 SER  QB          3.50    (#    431:25  Unique         2.27, 3.53 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1009,1010,
 igr2=1063,1064,
 &end
#
#   15 VAL  QG-          67 SER  QB          4.50    (#    432:25  Unique         2.97, 5.32 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2=1063,1064,
 &end
#
#   68 LYS  HN           67 SER  QB          3.50    (#    433:25  Unique         2.34, 3.03 A)
 &rst
  ixpk= 433, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1063,1064,
 &end
#
#   17 PHE  QD           67 SER  QB          5.50    (#    434:25  Unique         2.29, 4.72 A)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 270, 278,
 igr2=1063,1064,
 &end
#
#   12 VAL  QG+          67 SER  QB          4.50    (#    435:25  Unique         2.76, 6.01 A)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2=1063,1064,
 &end
#
#   50 GLU  HN           50 GLU  QB          3.50    (#    436:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 436, nxpk= 25, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 812, 813,
 &end
#
#   50 GLU  HA           50 GLU  QB          2.80    (#    437:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 812, 813,
 &end
#
#   50 GLU  HG+          50 GLU  QB          2.80    (#    438:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 815, 816,
 igr2= 812, 813,
 &end
#
#   50 GLU  HG-          50 GLU  QB          2.80    (#    439:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 815, 816,
 igr2= 812, 813,
 &end
#
#    0 AMB  25-3:440     50 GLU  QB          3.50    (#    440:25  Single Ambig)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2= 812, 813,
 &end
#
#    0 AMB  25-3:441      0 AMB  25-1:441    2.80    (#    441:25  Double Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 978, 979, 441, 442,
 igr2= 981, 982, 444, 445,
 &end
#
#   57 VAL  QG-          61 LYS  QD          4.50    (#    442:25  Unique         2.83, 5.89 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 981, 982,
 &end
#
#   27 LYS  HE-          27 LYS  QD          2.80    (#    443:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 447, 448,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-3:444      0 AMB  25-1:444    2.80    (#    444:25  Double Ambig)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 438, 439, 975, 976,
 igr2= 444, 445, 981, 982,
 &end
#
#   57 VAL  HB           57 VAL  HA          4.50    (#    445:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 445, nxpk= 25, iat= 918, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HB           57 VAL  HA          3.50    (#    446:25  Unique         2.10, 2.20 A)
 &rst
  ixpk= 446, nxpk= 25, iat= 959, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  QG-          57 VAL  HA          2.80    (#    447:25  Unique         2.42, 3.43 A)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:448     57 VAL  HA          4.50    (#    448:25  Single Ambig)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1147,1148,1149, 961, 962, 963,
 &end
#
#   60 VAL  QG2          57 VAL  HA          4.50    (#    449:25  Unique         2.76, 3.52 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 965, 966, 967,
 &end
#
#   35 LYS  HB3          35 LYS  HD+         4.50    (#    450:25  Unique         2.33, 2.94 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   35 LYS  HG+          35 LYS  HD-         3.50    (#    451:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586,
 igr2= 588, 589,
 &end
#
#   21 VAL  QG+          21 VAL  HA          3.50    (#    452:25  Unique         2.41, 3.16 A)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  QG-          21 VAL  HA          3.50    (#    453:25  Unique         2.41, 3.16 A)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 353, 354, 355, 357, 358, 359,
 &end
#
#   59 ALA  HN           58 GLU  QB          3.50    (#    455:25  Unique         2.62, 3.14 A)
 &rst
  ixpk= 455, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 934, 935,
 &end
#
#   58 GLU  HN           58 GLU  QB          2.80    (#    456:25  Unique         2.39, 3.05 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 934, 935,
 &end
#
#   55 SER  HA           58 GLU  QB          3.50    (#    457:25  Unique         2.34, 3.31 A)
 &rst
  ixpk= 457, nxpk= 25, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 934, 935,
 &end
#
#   58 GLU  HA           58 GLU  QB          2.80    (#    458:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 458, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 934, 935,
 &end
#
#   58 GLU  HG-          58 GLU  QB          2.80    (#    459:25  Unique         2.29, 2.67 A)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 937, 938,
 igr2= 934, 935,
 &end
#
#   60 VAL  HN           60 VAL  HA          3.50    (#    460:25  Unique         2.82, 2.82 A)
 &rst
  ixpk= 460, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HB           60 VAL  HA          4.50    (#    462:25  Unique         3.03, 3.03 A)
 &rst
  ixpk= 462, nxpk= 25, iat= 959, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:463     60 VAL  HA          3.50    (#    463:25  Single Ambig)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 961, 962, 963, 353, 354, 355, 357, 358, 359,
 &end
#
#   60 VAL  QG2          60 VAL  HA          3.50    (#    464:25  Unique         2.50, 3.03 A)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 965, 966, 967,
 &end
#
#   29 LYS  HA           29 LYS  QB          2.80    (#    466:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 484, 485,
 &end
#
#   29 LYS  QG           29 LYS  QB          2.80    (#    467:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 487, 488,
 igr2= 484, 485,
 &end
#
#   68 LYS  HN           11 ARG  HB+         4.50    (#    468:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 468, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   11 ARG  HN           11 ARG  HB+         4.50    (#    469:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   11 ARG  HA           11 ARG  HB+         3.50    (#    470:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 470, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 180,
 &end
#
#   11 ARG  HG+          11 ARG  HB+         3.50    (#    472:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   11 ARG  HN           11 ARG  HB-         4.50    (#    473:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 473, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   11 ARG  HA           11 ARG  HB-         3.50    (#    474:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 179, 180,
 &end
#
#   11 ARG  HG+          11 ARG  HB-         3.50    (#    475:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   29 LYS  QG           29 LYS  HD-         3.50    (#    476:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 487, 488,
 igr2= 490, 491,
 &end
#
#   68 LYS  HG-          68 LYS  QD          2.80    (#    479:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1077,1078,
 igr2=1080,1081,
 &end
#
#    0 AMB  25-3:480      0 AMB  25-1:480    2.80    (#    480:25  Double Ambig)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 487, 488,1077,1078,
 igr2= 490, 491,1080,1081,
 &end
#
#   41 ARG  QD           41 ARG  HG+         2.80    (#    482:25  Unique         2.19, 2.71 A)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 679, 680,
 igr2= 676, 677,
 &end
#
#   19 TYR  HA           22 GLN  HB2         4.50    (#    484:25  Unique         3.59, 3.64 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 308, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HN           22 GLN  HB2         3.50    (#    486:25  Unique         2.67, 2.70 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLN  HN           22 GLN  HB3         3.50    (#    487:25  Unique         2.24, 2.26 A)
 &rst
  ixpk= 487, nxpk= 25, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 ARG  HA           41 ARG  HG+         3.50    (#    488:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 676, 677,
 &end
#
#   41 ARG  QB           41 ARG  HG+         2.80    (#    489:25  Unique         2.21, 2.75 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 673, 674,
 igr2= 676, 677,
 &end
#
#   41 ARG  QB           41 ARG  HG-         3.50    (#    490:25  Unique         2.21, 2.75 A)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 673, 674,
 igr2= 676, 677,
 &end
#
#   41 ARG  HA           41 ARG  HG-         4.50    (#    491:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 491, nxpk= 25, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   41 ARG  QD           41 ARG  HG-         3.50    (#    492:25  Unique         2.19, 2.71 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 679, 680,
 igr2= 676, 677,
 &end
#
#   54 GLN  HA           54 GLN  HB3         3.50    (#    493:25  Unique         2.64, 2.66 A)
 &rst
  ixpk= 493, nxpk= 25, iat= 868, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG-          54 GLN  HB3         3.50    (#    494:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   54 GLN  HN           54 GLN  HB3         3.50    (#    495:25  Unique         3.50, 3.51 A)
 &rst
  ixpk= 495, nxpk= 25, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 ASN  HA           54 GLN  HB3         4.50    (#    496:25  Unique         3.84, 3.95 A)
 &rst
  ixpk= 496, nxpk= 25, iat= 825, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HG+          54 GLN  HB3         4.50    (#    497:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#   54 GLN  HN           54 GLN  HB2         4.50    (#    499:25  Unique         2.20, 2.25 A)
 &rst
  ixpk= 499, nxpk= 25, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HA           54 GLN  HB2         4.50    (#    500:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 500, nxpk= 25, iat= 868, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HG-          54 GLN  HB2         3.50    (#    501:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   22 GLN  HA           22 GLN  HB3         3.50    (#    503:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 503, nxpk= 25, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:506      0 AMB  25-1:506    5.50    (#    506:25  Double Ambig)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
 igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,1144,
      1145,
 igr2= 131, 132, 131, 132, 131, 132,
 &end
#
#   78 ARG  HA           78 ARG  HG+         4.50    (#    507:25  Unique         2.28, 3.39 A)
 &rst
  ixpk= 507, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1227,1228,
 &end
#
#   78 ARG  QD           78 ARG  HG+         3.50    (#    508:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1230,1231,
 igr2=1227,1228,
 &end
#
#   78 ARG  HB+          78 ARG  HG+         3.50    (#    509:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1224,1225,
 igr2=1227,1228,
 &end
#
#   78 ARG  HB+          78 ARG  HG-         2.80    (#    510:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1224,1225,
 igr2=1227,1228,
 &end
#
#   78 ARG  HA           78 ARG  HG-         4.50    (#    511:25  Unique         2.28, 3.39 A)
 &rst
  ixpk= 511, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1227,1228,
 &end
#
#   78 ARG  QD           78 ARG  HG-         3.50    (#    512:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1230,1231,
 igr2=1227,1228,
 &end
#
#    5 ARG  HD+           5 ARG  HG-         4.50    (#    513:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#   72 ILE  HB           72 ILE  HG1+        3.50    (#    515:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 515, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1145,
 &end
#
#   72 ILE  QD1          72 ILE  HG1+        2.80    (#    517:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1147,1148,1149,
 igr2=1144,1145,
 &end
#
#   72 ILE  HA           72 ILE  HG1+        4.50    (#    518:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 518, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1144,1145,
 &end
#
#    5 ARG  HD-           5 ARG  HG+         3.50    (#    519:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    5 ARG  HB3           5 ARG  HG+         4.50    (#    520:25  Unique         2.57, 2.83 A)
 &rst
  ixpk= 520, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    5 ARG  HD+           5 ARG  HG+         3.50    (#    522:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#   72 ILE  QD1          72 ILE  HG1-        2.80    (#    525:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1147,1148,1149,
 igr2=1144,1145,
 &end
#
#   87 SER  HA           87 SER  HB2         4.50    (#    526:25  Unique         2.60, 2.78 A)
 &rst
  ixpk= 526, nxpk= 25, iat=1376,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HN           87 SER  HB2         4.50    (#    528:25  Unique         3.23, 3.40 A)
 &rst
  ixpk= 528, nxpk= 25, iat=1385,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HN           87 SER  HB3         5.50    (#    530:25  Unique         3.19, 3.43 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1374,1379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 SER  HA           87 SER  HB3         3.50    (#    531:25  Unique         2.19, 2.28 A)
 &rst
  ixpk= 531, nxpk= 25, iat=1376,1379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HA            5 ARG  HG-         2.80    (#    534:25  Unique         2.53, 2.74 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  85,  86,
 &end
#
#   45 LEU  HG            5 ARG  HG-         3.50    (#    535:25  Unique         2.71, 3.57 A)
 &rst
  ixpk= 535, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#    7 ILE  QD1           5 ARG  HG-         2.80    (#    536:25  Unique         2.93, 4.32 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 134, 135, 136,
 igr2=  85,  86,
 &end
#
#   45 LEU  QD+          45 LEU  HG          3.50    (#    537:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  QD-          45 LEU  HG          2.80    (#    538:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#   65 PRO  HG-          65 PRO  HA          3.50    (#    539:25  Unique         2.85, 3.44 A)
 &rst
  ixpk= 539, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1029,1030,
 &end
#
#   65 PRO  HB+          65 PRO  HA          2.80    (#    540:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1032,1033,
 &end
#
#   65 PRO  HB-          65 PRO  HA          3.50    (#    541:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1032,1033,
 &end
#
#   49 PRO  HD-          49 PRO  HG+         3.50    (#    544:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#   49 PRO  HB+          49 PRO  HG+         3.50    (#    545:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 545, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 801, 802,
 igr2= 798, 799,
 &end
#
#   52 ALA  QB           49 PRO  HG+         3.50    (#    546:25  Unique         2.16, 3.59 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 841, 842, 843,
 igr2= 798, 799,
 &end
#
#   49 PRO  HD-          49 PRO  HG-         3.50    (#    547:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#   49 PRO  HB+          49 PRO  HG-         2.80    (#    548:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 801, 802,
 igr2= 798, 799,
 &end
#
#   49 PRO  HD+          49 PRO  HG-         3.50    (#    550:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#   65 PRO  HB+          65 PRO  HG+         2.80    (#    551:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   65 PRO  HD+          65 PRO  HG+         3.50    (#    552:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   65 PRO  HD-          65 PRO  HG+         3.50    (#    553:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   65 PRO  HB-          65 PRO  HG+         3.50    (#    554:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   65 PRO  HD+          65 PRO  HG-         4.50    (#    555:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   65 PRO  HD-          65 PRO  HG-         4.50    (#    556:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1029,1030,
 &end
#
#   65 PRO  HB+          65 PRO  HG-         3.50    (#    557:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   88 ILE  HB           88 ILE  HG1-        4.50    (#    558:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 558, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#   88 ILE  QD1          88 ILE  HG1-        2.80    (#    559:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1398,1399,1400,
 igr2=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HG1-        4.50    (#    561:25  Unique         2.52, 3.49 A)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2=1395,1396,
 &end
#
#   37 ARG  HB3          37 ARG  HG+         2.80    (#    562:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 562, nxpk= 25, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 621, 622,
 &end
#
#    6 ILE  QG2           6 ILE  HG1+        4.50    (#    567:25  Unique         2.42, 3.53 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 108, 109, 110,
 igr2= 112, 113,
 &end
#
#   35 LYS  HD-          37 ARG  HG-         3.50    (#    569:25  Unique         2.92, 5.12 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 621, 622,
 &end
#
#   37 ARG  HD+          37 ARG  HG-         2.80    (#    570:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:571      0 AMB  25-1:571    2.80    (#    571:25  Double Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 404, 405, 618,
 igr2= 401, 621, 622,
 &end
#
#   45 LEU  HB-          45 LEU  HG          3.50    (#    573:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 747, 748,
 &end
#
#   45 LEU  HA           45 LEU  HG          3.50    (#    574:25  Unique         2.30, 2.36 A)
 &rst
  ixpk= 574, nxpk= 25, iat= 745, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HG-          45 LEU  HG          3.50    (#    575:25  Unique         2.71, 3.57 A)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    0 AMB  25-3:576      6 ILE  HG1-        4.50    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 961, 962, 963,1170,1171,1172,1174,1175,1176,
 igr2= 112, 113,
 &end
#
#    6 ILE  QG2           6 ILE  HG1-        3.50    (#    577:25  Unique         2.42, 3.53 A)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 108, 109, 110,
 igr2= 112, 113,
 &end
#
#   88 ILE  QD1          88 ILE  HG1+        2.80    (#    580:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1398,1399,1400,
 igr2=1395,1396,
 &end
#
#   88 ILE  QG2          88 ILE  HG1+        3.50    (#    581:25  Unique         2.52, 3.49 A)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1391,1392,1393,
 igr2=1395,1396,
 &end
#
#   77 SER  HA           77 SER  HB+         2.80    (#    582:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 582, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1213,1214,
 &end
#
#   77 SER  HN           77 SER  HB-         3.50    (#    584:25  Unique         2.82, 3.40 A)
 &rst
  ixpk= 584, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#   77 SER  HA           77 SER  HB-         2.80    (#    585:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 585, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1213,1214,
 &end
#
#    3 GLN  HB2          77 SER  HB-         3.50    (#    586:25  Unique         2.91, 4.31 A)
 &rst
  ixpk= 586, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#   73 SER  HN           73 SER  HB-         3.50    (#    589:25  Unique         2.74, 3.32 A)
 &rst
  ixpk= 589, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1157,1158,
 &end
#
#   73 SER  HA            0 AMB  25-1:590    2.80    (#    590:25  Single Ambig)
 &rst
  ixpk= 590, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1157,1158,1157,1158,
 &end
#
#    7 ILE  HB            0 AMB  25-1:591    3.50    (#    591:25  Single Ambig)
 &rst
  ixpk= 591, nxpk= 25, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1157,1158,1157,1158,
 &end
#
#    0 AMB  25-3:592     73 SER  HB-         4.50    (#    592:25  Single Ambig)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 127, 128, 129, 134, 135, 136,
 igr2=1157,1158,
 &end
#
#   73 SER  HN            0 AMB  25-1:593    2.80    (#    593:25  Single Ambig)
 &rst
  ixpk= 593, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1157,1158,1157,1158,
 &end
#
#   73 SER  HN           73 SER  HB+         3.50    (#    594:25  Unique         2.74, 3.32 A)
 &rst
  ixpk= 594, nxpk= 25, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1157,1158,
 &end
#
#    0 AMB  25-3:598     11 ARG  HG-         3.50    (#    598:25  Single Ambig)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 177,1061,
 igr2= 182, 183,
 &end
#
#   11 ARG  HB+          11 ARG  HG-         2.80    (#    599:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   11 ARG  HD+          11 ARG  HG-         3.50    (#    601:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#    2 LEU  HB+           2 LEU  HG          2.80    (#    602:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  25,  26,
 &end
#
#   11 ARG  HD+          11 ARG  HG+         3.50    (#    603:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   11 ARG  HB+          11 ARG  HG+         2.80    (#    604:25  Unique         2.28, 2.73 A)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   15 VAL  QG+          11 ARG  HG+         4.50    (#    606:25  Unique         2.29, 3.82 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:607      0 AMB  25-1:607    3.50    (#    607:25  Double Ambig)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 177,1061,
 igr2= 182, 183, 182, 183,
 &end
#
#   91 SER  HN           91 SER  QB          3.50    (#    608:25  Unique         2.56, 3.08 A)
 &rst
  ixpk= 608, nxpk= 25, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1445,1446,
 &end
#
#   91 SER  HA           91 SER  QB          2.80    (#    609:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 609, nxpk= 25, iat=1443,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1445,1446,
 &end
#
#   48 GLY  HN           53 LEU  QD-         3.50    (#    611:25  Unique         2.24, 4.19 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   47 GLU  HA           53 LEU  QD-         4.50    (#    612:25  Unique         2.65, 4.30 A)
 &rst
  ixpk= 612, nxpk= 25, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   50 GLU  HA           53 LEU  QD-         2.80    (#    613:25  Unique         2.46, 4.88 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    2 LEU  HG           53 LEU  QD-         4.50    (#    614:25  Unique         2.48, 4.85 A)
 &rst
  ixpk= 614, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:615     53 LEU  QD-         2.80    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  25,  26, 851,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HG           53 LEU  QD-         5.50    (#    616:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 616, nxpk= 25, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HB3          53 LEU  QD-         3.50    (#    617:25  Unique         2.42, 3.13 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD+          53 LEU  QD-         4.50    (#    619:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   85 ARG  QD           85 ARG  HG+         3.50    (#    621:25  Unique         2.21, 2.65 A)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   85 ARG  HB+          85 ARG  HG+         3.50    (#    622:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   85 ARG  QD           85 ARG  HG-         3.50    (#    624:25  Unique         2.21, 2.65 A)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   85 ARG  HB+          85 ARG  HG-         3.50    (#    625:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#    2 LEU  HA            2 LEU  QD-         3.50    (#    627:25  Unique         2.15, 3.88 A)
 &rst
  ixpk= 627, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    0 AMB  25-3:629      2 LEU  QD-         3.50    (#    629:25  Single Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 815, 816,1224,1225,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   50 GLU  QB            2 LEU  QD-         3.50    (#    630:25  Unique         2.42, 5.06 A)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 812, 813,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HG            2 LEU  QD-         3.50    (#    631:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 631, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   53 LEU  QD-           2 LEU  QD-         4.50    (#    632:25  Unique         2.28, 6.47 A)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   30 LEU  HG           30 LEU  QD+         2.80    (#    640:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:641      0 AMB  25-1:641    3.50    (#    641:25  Double Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 854, 506,
 igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
       516, 517,
 &end
#
#   30 LEU  HB3          30 LEU  QD+         3.50    (#    642:25  Unique         2.43, 3.35 A)
 &rst
  ixpk= 642, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD+          30 LEU  QD+         3.50    (#    644:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  HB2          53 LEU  HG          3.50    (#    647:25  Unique         2.42, 2.49 A)
 &rst
  ixpk= 647, nxpk= 25, iat= 851, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  QD+          53 LEU  HG          5.50    (#    648:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  QD-          53 LEU  HG          4.50    (#    649:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 649, nxpk= 25, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HN           53 LEU  HG          4.50    (#    651:25  Unique         2.50, 2.55 A)
 &rst
  ixpk= 651, nxpk= 25, iat= 847, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLN  HE2+         45 LEU  QD-         4.50    (#    652:25  Unique         3.62, 5.83 A)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   33 TRP  HE1          45 LEU  QD-         4.50    (#    653:25  Unique         3.88, 5.41 A)
 &rst
  ixpk= 653, nxpk= 25, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HE2-         45 LEU  QD-         4.50    (#    656:25  Unique         3.62, 5.83 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HG-          45 LEU  QD-         3.50    (#    658:25  Unique         2.41, 4.46 A)
 &rst
  ixpk= 658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  47,  48,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   47 GLU  HG-          45 LEU  QD-         4.50    (#    659:25  Unique         2.82, 5.32 A)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 779, 780,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HG           45 LEU  QD-         2.80    (#    660:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 660, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB+          45 LEU  QD-         3.50    (#    662:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB-          45 LEU  QD-         3.50    (#    663:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 663, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   70 THR  HN           69 VAL  HA          2.80    (#    664:25  Unique         2.22, 2.25 A)
 &rst
  ixpk= 664, nxpk= 25, iat=1108,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:665     69 VAL  HA          2.80    (#    665:25  Single Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   12 VAL  QG+          69 VAL  HA          5.50    (#    666:25  Unique         2.54, 4.42 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:668     55 SER  HB-         2.80    (#    668:25  Single Ambig)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 885, 839,
 igr2= 887, 888,
 &end
#
#   69 VAL  HB           69 VAL  HA          3.50    (#    669:25  Unique         2.30, 2.85 A)
 &rst
  ixpk= 669, nxpk= 25, iat=1096,1094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 PRO  HD+          64 SER  HB3         4.50    (#    670:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1026,1027,
 &end
#
#   65 PRO  HD-          64 SER  HB3         3.50    (#    672:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   79 SER  HA           79 SER  HB2         4.50    (#    673:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 673, nxpk= 25, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HA           79 SER  HB3         3.50    (#    677:25  Unique         2.39, 2.40 A)
 &rst
  ixpk= 677, nxpk= 25, iat=1246,1249, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HN           64 SER  HB2         4.50    (#    678:25  Unique         3.28, 3.42 A)
 &rst
  ixpk= 678, nxpk= 25, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 SER  HA           64 SER  HB2         4.50    (#    679:25  Unique         2.67, 2.75 A)
 &rst
  ixpk= 679, nxpk= 25, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 LYS  HB+          61 LYS  HG+         3.50    (#    681:25  Unique         2.19, 2.74 A)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 975, 976,
 igr2= 978, 979,
 &end
#
#   29 LYS  HN           29 LYS  QG          4.50    (#    682:25  Unique         2.45, 3.12 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 487, 488,
 &end
#
#   29 LYS  HA           29 LYS  QG          3.50    (#    683:25  Unique         2.29, 3.03 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 487, 488,
 &end
#
#   29 LYS  QB           29 LYS  QG          2.80    (#    685:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 484, 485,
 igr2= 487, 488,
 &end
#
#    2 LEU  HA            2 LEU  QD+         3.50    (#    688:25  Unique         2.15, 3.88 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   78 ARG  HA            2 LEU  QD+         3.50    (#    689:25  Unique         2.13, 4.61 A)
 &rst
  ixpk= 689, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    0 AMB  25-3:690      0 AMB  25-1:690    4.50    (#    690:25  Double Ambig)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 815, 816,1224,1225,
 igr2=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    0 AMB  25-3:691      0 AMB  25-1:691    3.50    (#    691:25  Double Ambig)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1198,1199, 812, 813,
 igr2=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#    2 LEU  HG            2 LEU  QD+         2.80    (#    692:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 692, nxpk= 25, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HB+           2 LEU  QD+         5.50    (#    693:25  Unique         2.38, 3.30 A)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  25,  26,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   53 LEU  QD-           2 LEU  QD+         4.50    (#    696:25  Unique         2.28, 6.47 A)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   80 LEU  HN           80 LEU  QD+         4.50    (#    697:25  Unique         2.02, 4.54 A)
 &rst
  ixpk= 697, nxpk= 25, iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    2 LEU  HA           80 LEU  QD+         3.50    (#    698:25  Unique         2.28, 6.82 A)
 &rst
  ixpk= 698, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:699      0 AMB  25-1:699    3.50    (#    699:25  Double Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=   8,   9,  15,  16,  17,
 igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
      1269,1270,
 &end
#
#    0 AMB  25-3:700      0 AMB  25-1:700    3.50    (#    700:25  Double Ambig)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=   8,   9, 776, 777,
 igr2=1264,1265,1266,1268,1269,1270,1264,1265,1266,1268,
      1269,1270,
 &end
#
#    0 AMB  25-3:701      0 AMB  25-1:701    2.80    (#    701:25  Double Ambig)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1262,  85,  86,
 igr2=1264,1265,1266,1268,1269,1270, 752, 753, 754, 756,
       757, 758,
 &end
#
#   80 LEU  QB           80 LEU  QD+         2.80    (#    702:25  Unique         2.30, 3.33 A)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1259,1260,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   21 VAL  HN           21 VAL  QG-         2.80    (#    704:25  Unique         2.23, 3.83 A)
 &rst
  ixpk= 704, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   17 PHE  QD           21 VAL  QG-         4.50    (#    705:25  Unique         2.54, 5.98 A)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   17 PHE  HZ           21 VAL  QG-         5.50    (#    706:25  Unique         3.88, 5.73 A)
 &rst
  ixpk= 706, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:707     21 VAL  QG-         3.50    (#    707:25  Single Ambig)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 272, 276, 335, 343,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HA           21 VAL  QG-         2.80    (#    708:25  Unique         2.41, 3.16 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HB           21 VAL  QG-         2.80    (#    709:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:710     21 VAL  QG-         2.80    (#    710:25  Single Ambig)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 730, 731, 732, 568, 569, 570, 572, 573, 574,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   60 VAL  QG2          21 VAL  QG-         3.50    (#    713:25  Unique         2.19, 4.44 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966, 967,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    1 MET  HA           49 PRO  HA          3.50    (#    714:25  Unique         2.16, 2.55 A)
 &rst
  ixpk= 714, nxpk= 25, iat=   6, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:715     49 PRO  HA          2.80    (#    715:25  Single Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 801, 802,  11,  12,
 &end
#
#   50 GLU  HN           49 PRO  HA          2.80    (#    716:25  Unique         2.25, 2.30 A)
 &rst
  ixpk= 716, nxpk= 25, iat= 808, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 PRO  HB-          49 PRO  HA          3.50    (#    718:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 801, 802,
 &end
#
#   55 SER  HN           55 SER  HB+         3.50    (#    719:25  Unique         2.41, 3.11 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  25-3:721      0 AMB  25-1:721    2.80    (#    721:25  Double Ambig)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 885, 839,
 igr2= 887, 888, 887, 888,
 &end
#
#   55 SER  HN           55 SER  HB-         3.50    (#    722:25  Unique         2.41, 3.11 A)
 &rst
  ixpk= 722, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#   56 PHE  HN           55 SER  HB-         3.50    (#    723:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#   64 SER  HA           64 SER  HB3         3.50    (#    724:25  Unique         2.22, 2.27 A)
 &rst
  ixpk= 724, nxpk= 25, iat=1016,1019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LYS  HA           68 LYS  HG+         4.50    (#    727:25  Unique         2.34, 3.06 A)
 &rst
  ixpk= 727, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1077,1078,
 &end
#
#   54 GLN  HA           57 VAL  QG+         4.50    (#    729:25  Unique         2.19, 4.53 A)
 &rst
  ixpk= 729, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   74 VAL  QG+          57 VAL  QG+         3.50    (#    730:25  Unique         2.48, 5.26 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HN           57 VAL  QG+         3.50    (#    731:25  Unique         2.18, 3.88 A)
 &rst
  ixpk= 731, nxpk= 25, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    4 TYR  QD           57 VAL  QG+         3.50    (#    732:25  Unique         2.87, 6.48 A)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  65,  74,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   56 PHE  QD           57 VAL  QG+         5.50    (#    733:25  Unique         4.43, 7.62 A)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 902, 910,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HA           57 VAL  QG+         2.80    (#    734:25  Unique         2.42, 3.43 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:735      0 AMB  25-1:735    2.80    (#    735:25  Double Ambig)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 918, 937, 938,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#    6 ILE  QD1          57 VAL  QG+         2.80    (#    737:25  Unique         2.28, 4.47 A)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 115, 116, 117,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   74 VAL  QG-          57 VAL  QG+         2.80    (#    739:25  Unique         2.48, 5.26 A)
 &rst
  ixpk= 739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   68 LYS  HB+          68 LYS  HG-         3.50    (#    740:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1074,1075,
 igr2=1077,1078,
 &end
#
#    0 AMB  25-3:741     68 LYS  HG-         3.50    (#    741:25  Single Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1074,1075,1080,1081,
 igr2=1077,1078,
 &end
#
#    2 LEU  HA           80 LEU  QD-         4.50    (#    743:25  Unique         2.28, 6.82 A)
 &rst
  ixpk= 743, nxpk= 25, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:744     80 LEU  QD-         4.50    (#    744:25  Single Ambig)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1281,1282,  44,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    1 MET  HB+          80 LEU  QD-         3.50    (#    745:25  Unique         2.29, 4.98 A)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=   8,   9,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  HG           80 LEU  QD-         3.50    (#    746:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 746, nxpk= 25, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   80 LEU  QB           80 LEU  QD-         2.80    (#    747:25  Unique         2.30, 3.33 A)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1259,1260,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   33 TRP  HE1          45 LEU  QD+         3.50    (#    749:25  Unique         3.88, 5.41 A)
 &rst
  ixpk= 749, nxpk= 25, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   46 ALA  HN           45 LEU  QD+         4.50    (#    750:25  Unique         2.25, 4.53 A)
 &rst
  ixpk= 750, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HE2+         45 LEU  QD+         4.50    (#    751:25  Unique         3.62, 5.83 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   32 GLY  HA+          45 LEU  QD+         4.50    (#    753:25  Unique         3.79, 6.04 A)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 533, 534,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    3 GLN  HG-          45 LEU  QD+         3.50    (#    755:25  Unique         2.41, 4.46 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  47,  48,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HG           45 LEU  QD+         2.80    (#    756:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 756, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB+          45 LEU  QD+         3.50    (#    760:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   45 LEU  HB-          45 LEU  QD+         3.50    (#    761:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 747, 748,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   35 LYS  HD-          35 LYS  HG+         3.50    (#    762:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 585, 586,
 &end
#
#   35 LYS  HD+          35 LYS  HG-         3.50    (#    763:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 585, 586,
 &end
#
#   80 LEU  HA           80 LEU  QD-         4.50    (#    764:25  Unique         2.17, 4.08 A)
 &rst
  ixpk= 764, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:765     80 LEU  QD-         2.80    (#    765:25  Single Ambig)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=   8,   9, 776, 777,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#    0 AMB  25-3:766      0 AMB  25-1:766    4.50    (#    766:25  Double Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 582, 621, 622,
 igr2= 585, 586, 585, 586,
 &end
#
#   35 LYS  HB3          35 LYS  HG+         3.50    (#    767:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 767, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   35 LYS  HD+          35 LYS  HG+         3.50    (#    769:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 588, 589,
 igr2= 585, 586,
 &end
#
#   35 LYS  HN           34 VAL  QG-         2.80    (#    770:25  Unique         2.55, 3.96 A)
 &rst
  ixpk= 770, nxpk= 25, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HA           34 VAL  QG-         3.50    (#    771:25  Unique         2.41, 3.55 A)
 &rst
  ixpk= 771, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   44 ILE  HA           34 VAL  QG-         3.50    (#    772:25  Unique         2.90, 4.88 A)
 &rst
  ixpk= 772, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:773     34 VAL  QG-         2.80    (#    773:25  Single Ambig)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 566, 286, 287,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HG1-         34 VAL  QG-         3.50    (#    774:25  Unique         2.63, 4.66 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   21 VAL  QG+          34 VAL  QG-         2.80    (#    775:25  Unique         2.39, 4.93 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:776     34 VAL  QG-         3.50    (#    776:25  Single Ambig)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HA           34 VAL  QG-         4.50    (#    777:25  Unique         2.29, 3.50 A)
 &rst
  ixpk= 777, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   21 VAL  HB           34 VAL  QG-         4.50    (#    778:25  Unique         2.40, 3.78 A)
 &rst
  ixpk= 778, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HG+          34 VAL  QG-         3.50    (#    779:25  Unique         2.14, 4.24 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289, 290,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   56 PHE  QD           53 LEU  QD+         3.50    (#    781:25  Unique         2.66, 6.90 A)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 902, 910,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HA           53 LEU  QD+         2.80    (#    782:25  Unique         2.14, 3.80 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  HB2          53 LEU  QD+         5.50    (#    783:25  Unique         2.88, 5.22 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HB2          53 LEU  QD+         3.50    (#    784:25  Unique         2.38, 3.51 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD-          53 LEU  QD+         2.80    (#    785:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  QD+          53 LEU  QD+         2.80    (#    787:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   70 THR  HN           70 THR  HA          4.50    (#    790:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  HB           70 THR  HA          3.50    (#    791:25  Unique         2.46, 2.48 A)
 &rst
  ixpk= 791, nxpk= 25, iat=1112,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  QG2          70 THR  HA          2.80    (#    792:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1114,1115,1116,
 &end
#
#    0 AMB  25-3:793     70 THR  HA          4.50    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   17 PHE  HN           17 PHE  HA          4.50    (#    794:25  Unique         2.67, 2.75 A)
 &rst
  ixpk= 794, nxpk= 25, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HG1-         88 ILE  HA          4.50    (#    795:25  Unique         2.66, 2.83 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1395,1396,
 &end
#
#   89 VAL  HN           88 ILE  HA          2.80    (#    796:25  Unique         2.13, 2.19 A)
 &rst
  ixpk= 796, nxpk= 25, iat=1404,1387, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   34 VAL  HN           88 ILE  HA          4.50    (#    797:25  Unique         2.71, 2.81 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 562,1387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PHE  HZ            8 VAL  QG+         4.50    (#    798:25  Unique         2.18, 3.46 A)
 &rst
  ixpk= 798, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:799      0 AMB  25-1:799    4.50    (#    799:25  Double Ambig)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1136, 158,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#    9 ASP  HN            8 VAL  QG+         3.50    (#    800:25  Unique         2.50, 4.29 A)
 &rst
  ixpk= 800, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   17 PHE  QD            8 VAL  QG+         4.50    (#    801:25  Unique         4.71, 6.44 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  HA            8 VAL  QG+         2.80    (#    802:25  Unique         2.39, 3.19 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  HB            8 VAL  QG+         2.80    (#    803:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   42 VAL  HB            8 VAL  QG+         4.50    (#    804:25  Unique         3.47, 4.61 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   72 ILE  HB            8 VAL  QG+         3.50    (#    805:25  Unique         2.53, 4.25 A)
 &rst
  ixpk= 805, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   72 ILE  HG1+          8 VAL  QG+         3.50    (#    806:25  Unique         2.30, 4.61 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1144,1145,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:809      0 AMB  25-1:809    5.50    (#    809:25  Double Ambig)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 961, 962, 963,1147,1148,1149,
 igr2= 146, 147, 148, 150, 151, 152, 146, 147, 148, 150,
       151, 152,
 &end
#
#   12 VAL  QG-           8 VAL  QG+         3.50    (#    810:25  Unique         2.30, 5.58 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   12 VAL  QG+           8 VAL  QG+         2.80    (#    811:25  Unique         2.30, 5.58 A)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   76 GLU  HN           75 THR  HA          2.80    (#    812:25  Unique         2.47, 2.50 A)
 &rst
  ixpk= 812, nxpk= 25, iat=1194,1182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 THR  QG2          75 THR  HA          3.50    (#    813:25  Unique         2.44, 3.03 A)
 &rst
  ixpk= 813, nxpk= 25, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1186,1187,1188,
 &end
#
#   17 PHE  QD           17 PHE  HA          5.50    (#    814:25  Unique         3.01, 3.56 A)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 270, 278,
 &end
#
#   20 PHE  HB+          17 PHE  HA          4.50    (#    815:25  Unique         2.24, 2.94 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 331, 332,
 &end
#
#   20 PHE  HB-          17 PHE  HA          3.50    (#    816:25  Unique         2.24, 2.94 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   17 PHE  HB-          17 PHE  HA          3.50    (#    817:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 266, 267,
 &end
#
#   88 ILE  QG2          88 ILE  HA          2.80    (#    818:25  Unique         2.48, 3.16 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1391,1392,1393,
 &end
#
#   34 VAL  QG+          88 ILE  HA          3.50    (#    819:25  Unique         2.24, 4.16 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HG1+         88 ILE  HA          3.50    (#    820:25  Unique         2.66, 2.83 A)
 &rst
  ixpk= 820, nxpk= 25, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#   89 VAL  QG+          89 VAL  HA          3.50    (#    821:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,1406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   90 TYR  HN           89 VAL  HA          2.80    (#    822:25  Unique         2.20, 2.25 A)
 &rst
  ixpk= 822, nxpk= 25, iat=1420,1406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 VAL  HN           89 VAL  HA          4.50    (#    823:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 823, nxpk= 25, iat=1404,1406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HB           89 VAL  HA          3.50    (#    824:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 824, nxpk= 25, iat=1408,1406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  QG+          18 ARG  HA          3.50    (#    825:25  Unique         2.29, 3.50 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  QG-          18 ARG  HA          3.50    (#    826:25  Unique         2.29, 3.50 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:827     18 ARG  HA          4.50    (#    827:25  Single Ambig)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 &end
#
#   89 VAL  QG-          89 VAL  HA          2.80    (#    828:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,1406, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1410,1411,1412,1414,1415,1416,
 &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#    829:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 829, nxpk= 25, iat= 808, 810, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HG-          50 GLU  HA          3.50    (#    830:25  Unique         2.53, 2.92 A)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 815, 816,
 &end
#
#   50 GLU  QB           50 GLU  HA          2.80    (#    831:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 812, 813,
 &end
#
#   53 LEU  HB2          50 GLU  HA          3.50    (#    832:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 832, nxpk= 25, iat= 851, 810, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:833     50 GLU  HA          4.50    (#    833:25  Single Ambig)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   53 LEU  QD-          50 GLU  HA          3.50    (#    834:25  Unique         2.46, 4.88 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   50 GLU  HG+          50 GLU  HA          4.50    (#    835:25  Unique         2.53, 2.92 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 815, 816,
 &end
#
#   84 HIS  HA           31 ALA  QB          5.50    (#    836:25  Unique         2.36, 4.50 A)
 &rst
  ixpk= 836, nxpk= 25, iat=1315,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 525, 526, 527,
 &end
#
#   32 GLY  HN           31 ALA  QB          3.50    (#    837:25  Unique         2.35, 3.37 A)
 &rst
  ixpk= 837, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 525, 526, 527,
 &end
#
#   31 ALA  HN           31 ALA  QB          2.80    (#    838:25  Unique         2.54, 3.18 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 525, 526, 527,
 &end
#
#   31 ALA  HA           31 ALA  QB          2.80    (#    839:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HB2          31 ALA  QB          3.50    (#    840:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 840, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 525, 526, 527,
 &end
#
#   83 HIS  HB3          31 ALA  QB          4.50    (#    841:25  Unique         2.08, 3.30 A)
 &rst
  ixpk= 841, nxpk= 25, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 525, 526, 527,
 &end
#
#   49 PRO  HD-          30 LEU  QD-         3.50    (#    843:25  Unique         2.34, 4.85 A)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HG           30 LEU  QD-         2.80    (#    844:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD-          30 LEU  QD-         3.50    (#    846:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   19 TYR  HN           19 TYR  HA          4.50    (#    847:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 847, nxpk= 25, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 GLU  HG+          55 SER  HA          2.80    (#    848:25  Unique         2.86, 3.40 A)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 937, 938,
 &end
#
#   19 TYR  QD           19 TYR  HA          4.50    (#    849:25  Unique         2.70, 3.49 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 314, 323,
 &end
#
#   19 TYR  HB2          19 TYR  HA          3.50    (#    850:25  Unique         2.48, 2.69 A)
 &rst
  ixpk= 850, nxpk= 25, iat= 310, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TYR  HB3          19 TYR  HA          5.50    (#    851:25  Unique         2.47, 2.85 A)
 &rst
  ixpk= 851, nxpk= 25, iat= 311, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 ILE  QD1          19 TYR  HA          2.80    (#    852:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1398,1399,1400,
 &end
#
#   20 PHE  QD           20 PHE  HA          5.50    (#    853:25  Unique         2.77, 3.60 A)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 335, 343,
 &end
#
#   20 PHE  HN           20 PHE  HA          4.50    (#    854:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 854, nxpk= 25, iat= 327, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HB-          20 PHE  HA          3.50    (#    855:25  Unique         2.29, 2.68 A)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#    4 TYR  HB2          46 ALA  QB          5.50    (#    856:25  Unique         2.76, 6.25 A)
 &rst
  ixpk= 856, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 766, 767, 768,
 &end
#
#   47 GLU  HN           46 ALA  QB          3.50    (#    858:25  Unique         2.39, 3.35 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 766, 767, 768,
 &end
#
#   46 ALA  HN           46 ALA  QB          3.50    (#    859:25  Unique         2.79, 3.42 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 766, 767, 768,
 &end
#
#   86 PHE  HE           46 ALA  QB          3.50    (#    860:25  Unique         2.19, 5.24 A)
 &rst
  ixpk= 860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1364,1368,
 igr2= 766, 767, 768,
 &end
#
#   86 PHE  QE           46 ALA  QB          5.50    (#    861:25  Unique         2.19, 5.24 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1364,1368,
 igr2= 766, 767, 768,
 &end
#
#   56 PHE  QD           46 ALA  QB          3.50    (#    862:25  Unique         3.06, 5.23 A)
 &rst
  ixpk= 862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 902, 910,
 igr2= 766, 767, 768,
 &end
#
#   46 ALA  HA           46 ALA  QB          2.80    (#    863:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 863, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 766, 767, 768,
 &end
#
#   44 ILE  QG2          46 ALA  QB          2.80    (#    864:25  Unique         2.42, 4.47 A)
 &rst
  ixpk= 864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 730, 731, 732,
 igr2= 766, 767, 768,
 &end
#
#   30 LEU  HB3          46 ALA  QB          4.50    (#    865:25  Unique         2.55, 3.88 A)
 &rst
  ixpk= 865, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 766, 767, 768,
 &end
#
#   53 LEU  QD+          46 ALA  QB          3.50    (#    866:25  Unique         2.50, 4.98 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 766, 767, 768,
 &end
#
#   30 LEU  QD+          46 ALA  QB          3.50    (#    867:25  Unique         2.41, 5.56 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 766, 767, 768,
 &end
#
#   30 LEU  QD-          46 ALA  QB          4.50    (#    868:25  Unique         2.41, 5.56 A)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 766, 767, 768,
 &end
#
#   21 VAL  HN           21 VAL  QG+         4.50    (#    869:25  Unique         2.23, 3.83 A)
 &rst
  ixpk= 869, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:871      0 AMB  25-1:871    4.50    (#    871:25  Double Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 272, 276, 335, 343,
 igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
       358, 359,
 &end
#
#   44 ILE  HA           21 VAL  QG+         5.50    (#    873:25  Unique         3.84, 5.81 A)
 &rst
  ixpk= 873, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HA           21 VAL  QG+         3.50    (#    874:25  Unique         2.41, 3.16 A)
 &rst
  ixpk= 874, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  HB           21 VAL  QG+         2.80    (#    875:25  Unique         2.34, 4.14 A)
 &rst
  ixpk= 875, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   21 VAL  HB           21 VAL  QG+         2.80    (#    876:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   44 ILE  HB           21 VAL  QG+         5.50    (#    877:25  Unique         4.40, 5.65 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   34 VAL  QG+          21 VAL  QG+         2.80    (#    878:25  Unique         2.39, 4.93 A)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:879      0 AMB  25-1:879    4.50    (#    879:25  Double Ambig)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 734, 735, 730, 731, 732,
 igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
       358, 359,
 &end
#
#   60 VAL  QG2          21 VAL  QG+         3.50    (#    881:25  Unique         2.19, 4.44 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 965, 966, 967,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   31 ALA  HN           30 LEU  QD-         4.50    (#    882:25  Unique         3.31, 4.89 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  QD-         4.50    (#    883:25  Unique         2.30, 4.08 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HA           30 LEU  QD-         2.80    (#    884:25  Unique         2.20, 3.62 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   48 GLY  HA-          30 LEU  QD-         2.80    (#    885:25  Unique         2.05, 4.40 A)
 &rst
  ixpk= 885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 789, 790,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:886     30 LEU  QD-         3.50    (#    886:25  Single Ambig)
 &rst
  ixpk= 886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 796, 849,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   52 ALA  QB           30 LEU  QD-         2.80    (#    887:25  Unique         2.33, 4.18 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 841, 842, 843,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    0 AMB  25-3:888     30 LEU  QD-         2.80    (#    888:25  Single Ambig)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 854, 506,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HB3          30 LEU  QD-         3.50    (#    889:25  Unique         2.43, 3.35 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  QD+          30 LEU  QD-         2.80    (#    890:25  Unique         2.31, 5.90 A)
 &rst
  ixpk= 890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 856, 857, 858, 860, 861, 862,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   55 SER  HB+          55 SER  HA          2.80    (#    892:25  Unique         2.42, 2.73 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   55 SER  HB-          55 SER  HA          2.80    (#    893:25  Unique         2.42, 2.73 A)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 887, 888,
 &end
#
#   58 GLU  QB           55 SER  HA          3.50    (#    894:25  Unique         2.34, 3.31 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 934, 935,
 &end
#
#   55 SER  HN           55 SER  HA          3.50    (#    895:25  Unique         2.81, 2.81 A)
 &rst
  ixpk= 895, nxpk= 25, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 VAL  HB           42 VAL  QG+         3.50    (#    897:25  Unique         3.44, 4.72 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HN           42 VAL  QG+         4.50    (#    898:25  Unique         3.12, 4.30 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  QD           42 VAL  QG+         4.50    (#    899:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   36 ASN  HA           42 VAL  QG+         3.50    (#    900:25  Unique         2.55, 4.16 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HA           42 VAL  QG+         2.80    (#    901:25  Unique         2.38, 3.16 A)
 &rst
  ixpk= 901, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HG-          42 VAL  QG+         4.50    (#    902:25  Unique         2.75, 5.04 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 222, 223,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HB           42 VAL  QG+         2.80    (#    903:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 903, nxpk= 25, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG-          42 VAL  QG+         3.50    (#    905:25  Unique         2.30, 5.66 A)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG+          42 VAL  QG+         5.50    (#    906:25  Unique         2.30, 5.66 A)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   43 GLU  HN           42 VAL  QG+         4.50    (#    907:25  Unique         2.45, 3.95 A)
 &rst
  ixpk= 907, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   13 GLN  HG+          42 VAL  QG+         3.50    (#    908:25  Unique         2.75, 5.04 A)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 222, 223,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   15 VAL  QG-          12 VAL  HA          2.80    (#    909:25  Unique         2.42, 4.34 A)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   12 VAL  QG+          12 VAL  HA          2.80    (#    910:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HN           12 VAL  HA          4.50    (#    911:25  Unique         3.18, 3.23 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 215, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HN           12 VAL  HA          4.50    (#    912:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 912, nxpk= 25, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 VAL  HB           12 VAL  HA          2.80    (#    913:25  Unique         2.45, 2.46 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 VAL  QG-          12 VAL  HA          3.50    (#    914:25  Unique         2.37, 3.52 A)
 &rst
  ixpk= 914, nxpk= 25, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   56 PHE  HB3          56 PHE  HA          4.50    (#    915:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 915, nxpk= 25, iat= 899, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ALA  QB           56 PHE  HA          3.50    (#    916:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 949, 950, 951,
 &end
#
#   56 PHE  QD           56 PHE  HA          4.50    (#    917:25  Unique         2.23, 3.51 A)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   56 PHE  HB2          56 PHE  HA          3.50    (#    918:25  Unique         2.36, 2.47 A)
 &rst
  ixpk= 918, nxpk= 25, iat= 898, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           60 VAL  QG1         4.50    (#    920:25  Unique         4.30, 4.52 A)
 &rst
  ixpk= 920, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 961, 962, 963,
 &end
#
#   17 PHE  QD           60 VAL  QG1         5.50    (#    921:25  Unique         4.78, 6.54 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 270, 278,
 igr2= 961, 962, 963,
 &end
#
#   17 PHE  HZ           60 VAL  QG1         4.50    (#    922:25  Unique         2.22, 2.99 A)
 &rst
  ixpk= 922, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 961, 962, 963,
 &end
#
#   60 VAL  HA           60 VAL  QG1         3.50    (#    924:25  Unique         2.70, 3.32 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 961, 962, 963,
 &end
#
#   60 VAL  HB           60 VAL  QG1         2.80    (#    925:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 925, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 961, 962, 963,
 &end
#
#    0 AMB  25-3:926     60 VAL  QG1         3.50    (#    926:25  Single Ambig)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 734, 735, 730, 731, 732,
 igr2= 961, 962, 963,
 &end
#
#    8 VAL  QG+          60 VAL  QG1         5.50    (#    927:25  Unique         2.36, 3.93 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2= 961, 962, 963,
 &end
#
#    0 AMB  25-3:928     60 VAL  QG1         4.50    (#    928:25  Single Ambig)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,
 igr2= 961, 962, 963,
 &end
#
#   61 LYS  HN           60 VAL  QG1         4.50    (#    930:25  Unique         3.28, 4.21 A)
 &rst
  ixpk= 930, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 961, 962, 963,
 &end
#
#   11 ARG  HN           12 VAL  QG+         4.50    (#    931:25  Unique         3.37, 5.06 A)
 &rst
  ixpk= 931, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   60 VAL  HN           60 VAL  QG2         2.80    (#    933:25  Unique         2.36, 3.26 A)
 &rst
  ixpk= 933, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   60 VAL  HA           60 VAL  QG2         2.80    (#    935:25  Unique         2.50, 3.03 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   57 VAL  HA           60 VAL  QG2         3.50    (#    936:25  Unique         2.76, 3.52 A)
 &rst
  ixpk= 936, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 965, 966, 967,
 &end
#
#   60 VAL  HB           60 VAL  QG2         2.80    (#    937:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 965, 966, 967,
 &end
#
#   59 ALA  QB           60 VAL  QG2         4.50    (#    938:25  Unique         3.52, 5.69 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 949, 950, 951,
 igr2= 965, 966, 967,
 &end
#
#    0 AMB  25-3:939     60 VAL  QG2         3.50    (#    939:25  Single Ambig)
 &rst
  ixpk= 939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 146, 147, 148, 150, 151, 152, 115, 116, 117,
 igr2= 965, 966, 967,
 &end
#
#   44 ILE  QD1          60 VAL  QG2         2.80    (#    940:25  Unique         2.46, 3.90 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 737, 738, 739,
 igr2= 965, 966, 967,
 &end
#
#   91 SER  QB           91 SER  HA          3.50    (#    942:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,1443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1445,1446,
 &end
#
#   68 LYS  QE           70 THR  QG2         4.50    (#    943:25  Unique         2.38, 4.46 A)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1083,1084,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  25-3:945      0 AMB  25-1:945    3.50    (#    945:25  Double Ambig)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 170, 171, 266, 267,
 igr2=1114,1115,1116, 699, 700, 701, 703, 704, 705,
 &end
#
#   10 GLY  HA+          12 VAL  QG+         5.50    (#    946:25  Unique         2.80, 4.97 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:947      0 AMB  25-1:947    2.80    (#    947:25  Double Ambig)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 201,1094,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#   67 SER  QB           12 VAL  QG+         4.50    (#    948:25  Unique         2.76, 6.01 A)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1063,1064,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  HB           12 VAL  QG+         2.80    (#    949:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    8 VAL  QG+          12 VAL  QG+         2.80    (#    950:25  Unique         2.30, 5.58 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:951      0 AMB  25-1:951    2.80    (#    951:25  Double Ambig)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211, 205, 206, 207, 209, 210, 211,
 &end
#
#   61 LYS  HN           60 VAL  QG2         5.50    (#    954:25  Unique         4.60, 4.97 A)
 &rst
  ixpk= 954, nxpk= 25, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 965, 966, 967,
 &end
#
#   56 PHE  QD           60 VAL  QG2         5.50    (#    955:25  Unique         2.39, 4.71 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 902, 910,
 igr2= 965, 966, 967,
 &end
#
#   44 ILE  QG2          60 VAL  QG2         4.50    (#    956:25  Unique         3.53, 5.25 A)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 730, 731, 732,
 igr2= 965, 966, 967,
 &end
#
#   91 SER  HN           91 SER  HA          4.50    (#    957:25  Unique         2.72, 2.77 A)
 &rst
  ixpk= 957, nxpk= 25, iat=1441,1443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           54 GLN  HA          3.50    (#    958:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 958, nxpk= 25, iat= 866, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HG-          54 GLN  HA          3.50    (#    960:25  Unique         2.65, 3.27 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 873, 874,
 &end
#
#   54 GLN  HB3          54 GLN  HA          2.80    (#    961:25  Unique         2.64, 2.66 A)
 &rst
  ixpk= 961, nxpk= 25, iat= 871, 868, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 GLN  HB2          54 GLN  HA          3.50    (#    962:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 962, nxpk= 25, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 VAL  QG+          54 GLN  HA          4.50    (#    963:25  Unique         2.19, 4.53 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   10 GLY  HA+          70 THR  QG2         3.50    (#    967:25  Unique         2.59, 3.65 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 170, 171,
 igr2=1114,1115,1116,
 &end
#
#   70 THR  HA           70 THR  QG2         2.80    (#    968:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 968, nxpk= 25, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1114,1115,1116,
 &end
#
#   70 THR  HB           70 THR  QG2         2.80    (#    970:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 970, nxpk= 25, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1114,1115,1116,
 &end
#
#   57 VAL  HA           57 VAL  QG-         2.80    (#    972:25  Unique         2.42, 3.43 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:973     57 VAL  QG-         2.80    (#    973:25  Single Ambig)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 918, 937, 938,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:974      0 AMB  25-1:974    5.50    (#    974:25  Double Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1063,1064, 932,
 igr2=1098,1099,1100,1102,1103,1104, 920, 921, 922, 924,
       925, 926,
 &end
#
#    7 ILE  HA            8 VAL  QG-         3.50    (#    976:25  Unique         3.27, 5.42 A)
 &rst
  ixpk= 976, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:977      0 AMB  25-1:977    2.80    (#    977:25  Double Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 959, 975, 976, 697,
 igr2= 920, 921, 922, 924, 925, 926,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:978      8 VAL  QG-         2.80    (#    978:25  Single Ambig)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705, 734, 735,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  HN            8 VAL  QG-         3.50    (#    979:25  Unique         2.70, 4.15 A)
 &rst
  ixpk= 979, nxpk= 25, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#    8 VAL  HA            8 VAL  QG-         3.50    (#    980:25  Unique         2.39, 3.19 A)
 &rst
  ixpk= 980, nxpk= 25, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   74 VAL  HN           74 VAL  QG-         3.50    (#    981:25  Unique         2.90, 4.24 A)
 &rst
  ixpk= 981, nxpk= 25, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HA           74 VAL  QG-         3.50    (#    982:25  Unique         2.55, 3.22 A)
 &rst
  ixpk= 982, nxpk= 25, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HB           74 VAL  QG-         2.80    (#    983:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 983, nxpk= 25, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 ILE  HG1+         74 VAL  QG-         4.50    (#    984:25  Unique         4.18, 5.55 A)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 112, 113,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  QG+          74 VAL  QG-         5.50    (#    986:25  Unique         2.48, 5.26 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 ILE  QD1          74 VAL  QG-         3.50    (#    987:25  Unique         2.18, 3.53 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 115, 116, 117,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   58 GLU  HG-          58 GLU  HA          3.50    (#    989:25  Unique         2.46, 3.20 A)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 937, 938,
 &end
#
#   58 GLU  HN           58 GLU  HA          3.50    (#    990:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 GLU  QB           58 GLU  HA          2.80    (#    991:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 934, 935,
 &end
#
#   61 LYS  QD           58 GLU  HA          3.50    (#    993:25  Unique         2.73, 3.59 A)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 981, 982,
 &end
#
#   61 LYS  HN           61 LYS  HA          3.50    (#    994:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 994, nxpk= 25, iat= 971, 973, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LYS  HB+          61 LYS  HA          2.80    (#    995:25  Unique         2.19, 2.53 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 975, 976,
 &end
#
#   61 LYS  HG-          61 LYS  HA          4.50    (#    996:25  Unique         3.02, 3.47 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   72 ILE  QD1          61 LYS  HA          3.50    (#    997:25  Unique         2.72, 3.53 A)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1147,1148,1149,
 &end
#
#    0 AMB  25-3:998     61 LYS  HA          2.80    (#    998:25  Single Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1, 973, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   22 GLN  QG           22 GLN  HA          3.50    (#   1000:25  Unique         2.63, 3.18 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 370, 371,
 &end
#
#   22 GLN  HB3          22 GLN  HA          4.50    (#   1001:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 368, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  QB           22 GLN  HA          3.50    (#   1002:25  Unique         2.56, 3.43 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 416, 417, 418,
 &end
#
#   76 GLU  HN           75 THR  QG2         2.80    (#   1004:25  Unique         2.16, 3.07 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1186,1187,1188,
 &end
#
#   75 THR  HA           75 THR  QG2         2.80    (#   1005:25  Unique         2.44, 3.03 A)
 &rst
  ixpk= 1005, nxpk= 25, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1186,1187,1188,
 &end
#
#   75 THR  HB           75 THR  QG2         2.80    (#   1006:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1186,1187,1188,
 &end
#
#   17 PHE  QD           42 VAL  QG-         4.50    (#   1010:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    8 VAL  HB           42 VAL  QG-         3.50    (#   1011:25  Unique         3.44, 4.72 A)
 &rst
  ixpk= 1011, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1012    42 VAL  QG-         4.50    (#   1012:25  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 728, 673, 674, 106,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HB           42 VAL  QG-         2.80    (#   1013:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1013, nxpk= 25, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1014    42 VAL  QG-         2.80    (#   1014:25  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  HZ           42 VAL  QG-         4.50    (#   1015:25  Unique         4.91, 6.23 A)
 &rst
  ixpk= 1015, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   42 VAL  HA           42 VAL  QG-         2.80    (#   1016:25  Unique         2.38, 3.16 A)
 &rst
  ixpk= 1016, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   71 ASP  HN           69 VAL  QG+         3.50    (#   1020:25  Unique         2.49, 4.46 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#    0 AMB  25-3:1021     8 VAL  QG-         3.50    (#   1021:25  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1136, 158,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   61 LYS  HA           69 VAL  QG+         2.80    (#   1022:25  Unique         2.16, 3.70 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   69 VAL  HB            0 AMB  25-1:1023   2.80    (#   1023:25  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 25, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104, 146, 147, 148, 150, 151, 152,
 &end
#
#    0 AMB  25-3:1024     0 AMB  25-1:1024   2.80    (#   1024:25  Double Ambig)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1138, 981, 982,
 igr2=1098,1099,1100,1102,1103,1104, 920, 921, 922, 924,
       925, 926,
 &end
#
#   61 LYS  HG-          57 VAL  QG-         2.80    (#   1025:25  Unique         2.69, 5.21 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 978, 979,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   70 THR  HN            0 AMB  25-1:1027   3.50    (#   1027:25  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    0 AMB  25-3:1028    57 VAL  QG-         3.50    (#   1028:25  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 930, 878, 879,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#   27 LYS  HN           27 LYS  HA          3.50    (#   1030:25  Unique         2.72, 2.75 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  QB           27 LYS  HA          2.80    (#   1031:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 438, 439,
 &end
#
#   89 VAL  HN           34 VAL  QG+         4.50    (#   1034:25  Unique         3.38, 5.08 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HB-          34 VAL  QG+         3.50    (#   1035:25  Unique         2.58, 4.56 A)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 286, 287,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   44 ILE  QD1          34 VAL  QG+         4.50    (#   1036:25  Unique         3.89, 6.47 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 737, 738, 739,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HN           34 VAL  QG+         3.50    (#   1037:25  Unique         2.26, 3.99 A)
 &rst
  ixpk= 1037, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   86 PHE  QE           34 VAL  QG+         3.50    (#   1038:25  Unique         2.21, 5.34 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1364,1368,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HA           34 VAL  QG+         4.50    (#   1039:25  Unique         2.41, 3.55 A)
 &rst
  ixpk= 1039, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HA           34 VAL  QG+         3.50    (#   1040:25  Unique         2.24, 4.16 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HA           34 VAL  QG+         4.50    (#   1041:25  Unique         2.29, 3.50 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1042     0 AMB  25-1:1042   2.80    (#   1042:25  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 566, 286, 287,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
#   21 VAL  HB           34 VAL  QG+         3.50    (#   1043:25  Unique         2.40, 3.78 A)
 &rst
  ixpk= 1043, nxpk= 25, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   88 ILE  HG1-         34 VAL  QG+         3.50    (#   1044:25  Unique         2.63, 4.66 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1395,1396,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   18 ARG  HG+          34 VAL  QG+         3.50    (#   1045:25  Unique         2.14, 4.24 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 289, 290,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#    0 AMB  25-3:1047     0 AMB  25-1:1047   5.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
 igr1= 353, 354, 355, 357, 358, 359,1395,1396,
 igr2= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
       573, 574,
 &end
#
#   88 ILE  QG2          34 VAL  QG+         3.50    (#   1048:25  Unique         2.52, 5.44 A)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1391,1392,1393,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   69 VAL  HN           69 VAL  QG-         4.50    (#   1049:25  Unique         1.80, 3.68 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   17 PHE  HZ            0 AMB  25-1:1050   2.80    (#   1050:25  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   68 LYS  HA           69 VAL  QG-         5.50    (#   1051:25  Unique         3.74, 5.74 A)
 &rst
  ixpk= 1051, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   69 VAL  HA           69 VAL  QG-         3.50    (#   1052:25  Unique         2.43, 3.31 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   63 GLY  HA-          69 VAL  QG-         5.50    (#   1053:25  Unique         3.25, 6.25 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1009,1010,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   12 VAL  QG+          69 VAL  QG-         2.80    (#   1054:25  Unique         2.40, 6.11 A)
 &rst
  ixpk= 1054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#   15 VAL  HA           15 VAL  QG+         2.80    (#   1056:25  Unique         2.34, 3.49 A)
 &rst
  ixpk= 1056, nxpk= 25, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   66 PHE  HB+          15 VAL  QG+         4.50    (#   1057:25  Unique         2.65, 4.60 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1043,1044,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   15 VAL  HB           15 VAL  QG+         2.80    (#   1058:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1058, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   11 ARG  HG+          15 VAL  QG+         3.50    (#   1059:25  Unique         2.29, 3.82 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 182, 183,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   90 TYR  HN           89 VAL  QG+         3.50    (#   1061:25  Unique         2.88, 4.43 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   91 SER  HN           89 VAL  QG+         4.50    (#   1062:25  Unique         1.96, 4.57 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HA           89 VAL  QG+         2.80    (#   1063:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   91 SER  HN           90 TYR  HA          4.50    (#   1066:25  Unique         3.48, 3.51 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=1441,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  QD           90 TYR  HA          4.50    (#   1067:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1428,1437,
 &end
#
#   90 TYR  HB2          90 TYR  HA          4.50    (#   1068:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HB3          90 TYR  HA          4.50    (#   1069:25  Unique         2.31, 2.97 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=1425,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 TYR  HN           90 TYR  HA          4.50    (#   1070:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=1420,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           23 MET  HA          3.50    (#   1071:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 MET  HB3          23 MET  HA          4.50    (#   1072:25  Unique         2.49, 2.51 A)
 &rst
  ixpk= 1072, nxpk= 25, iat= 385, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HB2          23 MET  HA          4.50    (#   1073:25  Unique         3.06, 3.06 A)
 &rst
  ixpk= 1073, nxpk= 25, iat= 384, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HG+          23 MET  HA          4.50    (#   1074:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   23 MET  HG-          23 MET  HA          4.50    (#   1075:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 387, 388,
 &end
#
#   26 ASP  HB2          23 MET  HA          2.80    (#   1076:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 1076, nxpk= 25, iat= 426, 382, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  HB2          74 VAL  QG+         5.50    (#   1081:25  Unique         2.75, 5.01 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HB           74 VAL  QG+         2.80    (#   1082:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 ILE  HG1+         74 VAL  QG+         4.50    (#   1083:25  Unique         4.18, 5.55 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 112, 113,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 ILE  QD1          74 VAL  QG+         3.50    (#   1084:25  Unique         2.18, 3.53 A)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 115, 116, 117,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   89 VAL  HN           89 VAL  QG-         3.50    (#   1088:25  Unique         2.37, 3.78 A)
 &rst
  ixpk= 1088, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HA           89 VAL  QG-         2.80    (#   1089:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=1406,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB+          89 VAL  QG-         4.50    (#   1090:25  Unique         2.23, 4.92 A)
 &rst
  ixpk= 1090, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HB2          89 VAL  QG-         3.50    (#   1091:25  Unique         2.59, 4.59 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HB3          89 VAL  QG-         3.50    (#   1092:25  Unique         2.27, 3.79 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   34 VAL  HN           89 VAL  QG-         4.50    (#   1093:25  Unique         3.27, 5.49 A)
 &rst
  ixpk= 1093, nxpk= 25, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HZ2          89 VAL  QG-         5.50    (#   1094:25  Unique         6.30, 8.31 A)
 &rst
  ixpk= 1094, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB-          89 VAL  QG-         2.80    (#   1095:25  Unique         2.23, 4.92 A)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   89 VAL  HB           89 VAL  QG-         2.80    (#   1096:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1096, nxpk= 25, iat=1408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HD+          89 VAL  QG-         4.50    (#   1097:25  Unique         2.98, 5.36 A)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 588, 589,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   88 ILE  QG2          89 VAL  QG-         4.50    (#   1099:25  Unique         5.21, 6.82 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1391,1392,1393,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   75 THR  HN           74 VAL  QG+         3.50    (#   1101:25  Unique         2.60, 4.07 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  HA           74 VAL  QG+         2.80    (#   1103:25  Unique         2.55, 3.22 A)
 &rst
  ixpk= 1103, nxpk= 25, iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  QD           74 VAL  QG+         3.50    (#   1104:25  Unique         3.86, 6.27 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  65,  74,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    4 TYR  HB3          74 VAL  QG+         3.50    (#   1105:25  Unique         3.39, 5.58 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   57 VAL  QG-          74 VAL  QG+         5.50    (#   1107:25  Unique         2.48, 5.26 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   24 GLU  HB3          24 GLU  HA          3.50    (#   1109:25  Unique         2.49, 2.52 A)
 &rst
  ixpk= 1109, nxpk= 25, iat= 402, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 GLU  HN           24 GLU  HA          3.50    (#   1110:25  Unique         2.88, 2.90 A)
 &rst
  ixpk= 1110, nxpk= 25, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  QB           24 GLU  HA          4.50    (#   1111:25  Unique         2.30, 2.90 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 438, 439,
 &end
#
#   27 LYS  QD           24 GLU  HA          5.50    (#   1112:25  Unique         4.49, 5.02 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 444, 445,
 &end
#
#   24 GLU  HB2          24 GLU  HA          3.50    (#   1113:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1113, nxpk= 25, iat= 401, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HN           53 LEU  HA          4.50    (#   1114:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1114, nxpk= 25, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD+          53 LEU  HA          2.80    (#   1116:25  Unique         2.14, 3.80 A)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   56 PHE  HB3          53 LEU  HA          3.50    (#   1118:25  Unique         2.13, 2.39 A)
 &rst
  ixpk= 1118, nxpk= 25, iat= 899, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HB3          53 LEU  HA          3.50    (#   1119:25  Unique         2.53, 2.55 A)
 &rst
  ixpk= 1119, nxpk= 25, iat= 852, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD+          53 LEU  HA          3.50    (#   1120:25  Unique         2.76, 4.77 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   26 ASP  HB2          26 ASP  HA          2.80    (#   1125:25  Unique         2.53, 2.55 A)
 &rst
  ixpk= 1125, nxpk= 25, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 ASP  HN           26 ASP  HA          3.50    (#   1126:25  Unique         2.78, 2.79 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  HN           26 ASP  HA          3.50    (#   1127:25  Unique         2.88, 3.10 A)
 &rst
  ixpk= 1127, nxpk= 25, iat= 480, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 LEU  HN           79 SER  HA          2.80    (#   1128:25  Unique         2.15, 2.26 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=1255,1246, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 SER  HB2          79 SER  HA          4.50    (#   1129:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=1248,1246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HB3          79 SER  HA          3.50    (#   1130:25  Unique         2.39, 2.40 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=1249,1246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 SER  HN           79 SER  HA          3.50    (#   1131:25  Unique         2.66, 2.77 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=1244,1246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HN           52 ALA  QB          3.50    (#   1132:25  Unique         2.55, 3.43 A)
 &rst
  ixpk= 1132, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 841, 842, 843,
 &end
#
#   52 ALA  HN           52 ALA  QB          2.80    (#   1133:25  Unique         2.48, 2.95 A)
 &rst
  ixpk= 1133, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   52 ALA  HA           52 ALA  QB          2.80    (#   1134:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HD+          52 ALA  QB          3.50    (#   1135:25  Unique         2.15, 3.83 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 795, 796,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HD-          52 ALA  QB          2.80    (#   1136:25  Unique         2.15, 3.83 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 795, 796,
 igr2= 841, 842, 843,
 &end
#
#   49 PRO  HG+          52 ALA  QB          3.50    (#   1137:25  Unique         2.16, 3.59 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 798, 799,
 igr2= 841, 842, 843,
 &end
#
#   28 ARG  HB3          52 ALA  QB          2.80    (#   1138:25  Unique         2.36, 3.57 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 841, 842, 843,
 &end
#
#   30 LEU  QD-          52 ALA  QB          2.80    (#   1141:25  Unique         2.33, 4.18 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 841, 842, 843,
 &end
#
#   29 LYS  HA           26 ASP  HA          3.50    (#   1143:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 482, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HB3          26 ASP  HA          4.50    (#   1144:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1144, nxpk= 25, iat= 427, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 HIS  HN           83 HIS  HA          3.50    (#   1145:25  Unique         2.19, 2.72 A)
 &rst
  ixpk= 1145, nxpk= 25, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HB2          83 HIS  HA          3.50    (#   1147:25  Unique         2.33, 2.54 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 HIS  HB3          83 HIS  HA          4.50    (#   1148:25  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1148, nxpk= 25, iat=1301,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  QB           81 GLU  HA          2.80    (#   1150:25  Unique         2.21, 2.58 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1278,1279,
 &end
#
#    0 AMB  25-3:1151    81 GLU  HA          3.50    (#   1151:25  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 779, 780,1281,1282,
 &end
#
#   29 LYS  QB           29 LYS  HA          2.80    (#   1152:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 1152, nxpk= 25, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 484, 485,
 &end
#
#   29 LYS  QG           29 LYS  HA          3.50    (#   1153:25  Unique         2.29, 3.03 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 487, 488,
 &end
#
#   29 LYS  HN           29 LYS  HA          2.80    (#   1154:25  Unique         2.24, 2.27 A)
 &rst
  ixpk= 1154, nxpk= 25, iat= 480, 482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HN           29 LYS  HA          3.50    (#   1155:25  Unique         2.49, 2.66 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 502, 482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP  HA           29 LYS  HA          4.50    (#   1156:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1156, nxpk= 25, iat= 424, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 ASN  HN           51 ASN  HA          3.50    (#   1157:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 1157, nxpk= 25, iat= 823, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1158    51 ASN  HA          3.50    (#   1158:25  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 815, 816, 871,
 &end
#
#   65 PRO  HD+          64 SER  HA          2.80    (#   1161:25  Unique         2.02, 2.50 A)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1026,1027,
 &end
#
#   65 PRO  HD-          64 SER  HA          2.80    (#   1162:25  Unique         2.02, 2.50 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1026,1027,
 &end
#
#   64 SER  HB3          64 SER  HA          2.80    (#   1163:25  Unique         2.22, 2.27 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=1019,1016, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 SER  HB2          64 SER  HA          4.50    (#   1164:25  Unique         2.67, 2.75 A)
 &rst
  ixpk= 1164, nxpk= 25, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  HN            7 ILE  QG2         4.50    (#   1165:25  Unique         3.82, 4.46 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 127, 128, 129,
 &end
#
#   41 ARG  QD            7 ILE  QG2         2.80    (#   1166:25  Unique         2.23, 3.59 A)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 679, 680,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  25-3:1167     7 ILE  QG2         2.80    (#   1167:25  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 673, 674, 125,
 igr2= 127, 128, 129,
 &end
#
#    7 ILE  HG1-          7 ILE  QG2         3.50    (#   1168:25  Unique         2.43, 3.56 A)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 131, 132,
 igr2= 127, 128, 129,
 &end
#
#    0 AMB  25-3:1169    78 ARG  HA          3.50    (#   1169:25  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1244,  40,
 &end
#
#   78 ARG  HB+          78 ARG  HA          3.50    (#   1170:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1224,1225,
 &end
#
#    0 AMB  25-3:1171    78 ARG  HA          2.80    (#   1171:25  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1227,1228,1224,1225,
 &end
#
#    0 AMB  25-3:1172    78 ARG  HA          3.50    (#   1172:25  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   45 LEU  HN           44 ILE  QG2         5.50    (#   1173:25  Unique         2.49, 3.35 A)
 &rst
  ixpk= 1173, nxpk= 25, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#   86 PHE  HE           44 ILE  QG2         5.50    (#   1174:25  Unique         2.80, 4.46 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1364,1368,
 igr2= 730, 731, 732,
 &end
#
#   56 PHE  QD           44 ILE  QG2         4.50    (#   1175:25  Unique         4.53, 6.09 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 730, 731, 732,
 &end
#
#   34 VAL  HA           44 ILE  QG2         5.50    (#   1176:25  Unique         3.28, 4.51 A)
 &rst
  ixpk= 1176, nxpk= 25, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#   44 ILE  HA           44 ILE  QG2         3.50    (#   1177:25  Unique         2.37, 3.07 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 730, 731, 732,
 &end
#
#   34 VAL  HB           44 ILE  QG2         4.50    (#   1178:25  Unique         2.46, 3.89 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 730, 731, 732,
 &end
#
#   44 ILE  HB           44 ILE  QG2         2.80    (#   1179:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1179, nxpk= 25, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 730, 731, 732,
 &end
#
#   46 ALA  QB           44 ILE  QG2         2.80    (#   1181:25  Unique         2.42, 4.47 A)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 766, 767, 768,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1182    44 ILE  QG2         2.80    (#   1182:25  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 737, 738, 739, 353, 354, 355, 357, 358, 359,
 igr2= 730, 731, 732,
 &end
#
#   21 VAL  QG-          44 ILE  QG2         4.50    (#   1183:25  Unique         2.30, 4.64 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 730, 731, 732,
 &end
#
#    7 ILE  HN            6 ILE  QG2         3.50    (#   1184:25  Unique         2.63, 3.28 A)
 &rst
  ixpk= 1184, nxpk= 25, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HA            6 ILE  QG2         2.80    (#   1185:25  Unique         2.52, 3.13 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HB            6 ILE  QG2         2.80    (#   1186:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1186, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 108, 109, 110,
 &end
#
#    6 ILE  HG1+          6 ILE  QG2         3.50    (#   1187:25  Unique         2.42, 3.53 A)
 &rst
  ixpk= 1187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 112, 113,
 igr2= 108, 109, 110,
 &end
#
#   72 ILE  HG1+          6 ILE  QG2         3.50    (#   1188:25  Unique         2.65, 3.34 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1144,1145,
 igr2= 108, 109, 110,
 &end
#
#   57 VAL  QG+           6 ILE  QG2         3.50    (#   1189:25  Unique         2.51, 5.50 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 108, 109, 110,
 &end
#
#    0 AMB  25-3:1190     6 ILE  QG2         2.80    (#   1190:25  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 146, 147, 148, 150, 151, 152, 115, 116, 117,
 igr2= 108, 109, 110,
 &end
#
#    8 VAL  HN            7 ILE  QG2         4.50    (#   1191:25  Unique         2.48, 3.25 A)
 &rst
  ixpk= 1191, nxpk= 25, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 127, 128, 129,
 &end
#
#    7 ILE  HA            7 ILE  QG2         2.80    (#   1192:25  Unique         2.39, 3.05 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 127, 128, 129,
 &end
#
#   41 ARG  HG+           7 ILE  QG2         3.50    (#   1194:25  Unique         2.43, 4.32 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 676, 677,
 igr2= 127, 128, 129,
 &end
#
#   10 GLY  HN           12 VAL  QG-         3.50    (#   1195:25  Unique         2.79, 4.37 A)
 &rst
  ixpk= 1195, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HG+          12 VAL  QG-         3.50    (#   1196:25  Unique         3.60, 6.54 A)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 222, 223,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   42 VAL  QG+          12 VAL  QG-         3.50    (#   1197:25  Unique         2.30, 5.66 A)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 699, 700, 701, 703, 704, 705,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HN           12 VAL  QG-         4.50    (#   1198:25  Unique         3.70, 4.93 A)
 &rst
  ixpk= 1198, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  HN           12 VAL  QG-         2.80    (#   1199:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 1199, nxpk= 25, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    9 ASP  HA           12 VAL  QG-         4.50    (#   1200:25  Unique         3.10, 4.35 A)
 &rst
  ixpk= 1200, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1201    12 VAL  QG-         3.50    (#   1201:25  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 671, 177,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1202    12 VAL  QG-         3.50    (#   1202:25  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 201,1094,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  HB           12 VAL  QG-         2.80    (#   1203:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 1203, nxpk= 25, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    8 VAL  QG+          12 VAL  QG-         3.50    (#   1204:25  Unique         2.30, 5.58 A)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    0 AMB  25-3:1205    12 VAL  QG-         3.50    (#   1205:25  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,1098,1099,1100,1102,1103,1104,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   15 VAL  QG+          12 VAL  QG-         5.50    (#   1206:25  Unique         4.28, 7.35 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 245, 246, 247, 249, 250, 251,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   17 PHE  HN           15 VAL  QG-         4.50    (#   1208:25  Unique         2.14, 4.80 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   15 VAL  HN           15 VAL  QG-         2.80    (#   1209:25  Unique         2.41, 3.57 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PHE  QD           15 VAL  QG-         4.50    (#   1210:25  Unique         3.14, 7.06 A)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 270, 278,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:1211    15 VAL  QG-         2.80    (#   1211:25  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1061, 241,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   12 VAL  HA           15 VAL  QG-         3.50    (#   1212:25  Unique         2.42, 4.34 A)
 &rst
  ixpk= 1212, nxpk= 25, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   67 SER  QB           15 VAL  QG-         4.50    (#   1213:25  Unique         2.97, 5.32 A)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1063,1064,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PHE  HB-          15 VAL  QG-         2.80    (#   1214:25  Unique         2.26, 5.50 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 266, 267,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   15 VAL  HB           15 VAL  QG-         2.80    (#   1215:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1215, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   17 PHE  HB+          15 VAL  QG-         4.50    (#   1217:25  Unique         2.26, 5.50 A)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   18 ARG  HD+          88 ILE  QG2         4.50    (#   1218:25  Unique         2.36, 4.46 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 292, 293,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HG1-         88 ILE  QG2         3.50    (#   1219:25  Unique         2.52, 3.49 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1395,1396,
 igr2=1391,1392,1393,
 &end
#
#   89 VAL  HN           88 ILE  QG2         3.50    (#   1220:25  Unique         2.91, 3.62 A)
 &rst
  ixpk= 1220, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1391,1392,1393,
 &end
#
#   90 TYR  QE           88 ILE  QG2         3.50    (#   1221:25  Unique         6.88, 8.79 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1430,1435,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HA           88 ILE  QG2         2.80    (#   1222:25  Unique         2.48, 3.16 A)
 &rst
  ixpk= 1222, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1391,1392,1393,
 &end
#
#   18 ARG  HD-          88 ILE  QG2         3.50    (#   1223:25  Unique         2.36, 4.46 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 292, 293,
 igr2=1391,1392,1393,
 &end
#
#   34 VAL  QG+          88 ILE  QG2         3.50    (#   1224:25  Unique         2.52, 5.44 A)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  QD1          88 ILE  QG2         2.80    (#   1225:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1398,1399,1400,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HG1+         88 ILE  QG2         3.50    (#   1226:25  Unique         2.52, 3.49 A)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1395,1396,
 igr2=1391,1392,1393,
 &end
#
#   68 LYS  HN           68 LYS  HA          4.50    (#   1227:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 1227, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1228    38 ASP  HA          3.50    (#   1228:25  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 650, 662,
 &end
#
#   68 LYS  HB-          68 LYS  HA          2.80    (#   1229:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1229, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1074,1075,
 &end
#
#   69 VAL  HN           68 LYS  HA          2.80    (#   1230:25  Unique         2.23, 2.26 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=1092,1072, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ASP  QB           38 ASP  HA          2.80    (#   1231:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 642, 643,
 &end
#
#   60 VAL  HN           59 ALA  QB          2.80    (#   1232:25  Unique         2.71, 3.59 A)
 &rst
  ixpk= 1232, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 949, 950, 951,
 &end
#
#   59 ALA  HN           59 ALA  QB          2.80    (#   1233:25  Unique         2.51, 2.91 A)
 &rst
  ixpk= 1233, nxpk= 25, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 949, 950, 951,
 &end
#
#   59 ALA  HA           59 ALA  QB          2.80    (#   1235:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 1235, nxpk= 25, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 949, 950, 951,
 &end
#
#   56 PHE  HA           59 ALA  QB          3.50    (#   1236:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 1236, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 949, 950, 951,
 &end
#
#   24 GLU  HB3          59 ALA  QB          3.50    (#   1237:25  Unique         2.75, 3.56 A)
 &rst
  ixpk= 1237, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 949, 950, 951,
 &end
#
#   60 VAL  QG2          59 ALA  QB          4.50    (#   1241:25  Unique         3.52, 5.69 A)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 965, 966, 967,
 igr2= 949, 950, 951,
 &end
#
#   18 ARG  HB-          88 ILE  QG2         3.50    (#   1242:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 286, 287,
 igr2=1391,1392,1393,
 &end
#
#   88 ILE  HB           88 ILE  QG2         2.80    (#   1243:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1243, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1391,1392,1393,
 &end
#
#   37 ARG  HB3          37 ARG  HA          4.50    (#   1245:25  Unique         2.52, 2.57 A)
 &rst
  ixpk= 1245, nxpk= 25, iat= 619, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HB2          37 ARG  HA          4.50    (#   1246:25  Unique         3.04, 3.06 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HG+          37 ARG  HA          3.50    (#   1247:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 621, 622,
 &end
#
#   28 ARG  HB2          28 ARG  HA          4.50    (#   1248:25  Unique         2.42, 2.59 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 460, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 LEU  HN            1 MET  HA          2.80    (#   1249:25  Unique         2.30, 2.47 A)
 &rst
  ixpk= 1249, nxpk= 25, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 PRO  HA            1 MET  HA          3.50    (#   1251:25  Unique         2.16, 2.55 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 804,   6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HB+           1 MET  HA          4.50    (#   1252:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#    1 MET  HB-           1 MET  HA          3.50    (#   1253:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#   48 GLY  HN            1 MET  QE          4.50    (#   1254:25  Unique         3.13, 4.83 A)
 &rst
  ixpk= 1254, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  15,  16,  17,
 &end
#
#   48 GLY  HA+           1 MET  QE          3.50    (#   1255:25  Unique         2.11, 3.69 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 789, 790,
 igr2=  15,  16,  17,
 &end
#
#   49 PRO  HD+           1 MET  QE          4.50    (#   1256:25  Unique         2.09, 3.78 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 795, 796,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  QE          4.50    (#   1257:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG-           1 MET  QE          4.50    (#   1258:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HB-           1 MET  QE          3.50    (#   1260:25  Unique         2.35, 4.00 A)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=   8,   9,
 igr2=  15,  16,  17,
 &end
#
#   80 LEU  QD+           1 MET  QE          4.50    (#   1261:25  Unique         2.68, 7.79 A)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=  15,  16,  17,
 &end
#
#   80 LEU  QD-           1 MET  QE          3.50    (#   1262:25  Unique         2.68, 7.79 A)
 &rst
  ixpk= 1262, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=  15,  16,  17,
 &end
#
#   20 PHE  HA           23 MET  QE          4.50    (#   1265:25  Unique         2.24, 2.83 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 391, 392, 393,
 &end
#
#   62 ASN  HN           62 ASN  HA          3.50    (#   1272:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 993, 995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  QB           62 ASN  HA          2.80    (#   1273:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 997, 998,
 &end
#
#    3 GLN  HE2+         80 LEU  HA          5.50    (#   1274:25  Unique         2.54, 4.61 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  52,  53,
 &end
#
#   80 LEU  QB           80 LEU  HA          2.80    (#   1275:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1259,1260,
 &end
#
#   80 LEU  QD-          80 LEU  HA          4.50    (#   1276:25  Unique         2.17, 4.08 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,1257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1264,1265,1266,1268,1269,1270,
 &end
#
#   28 ARG  HN           28 ARG  HA          4.50    (#   1277:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 1277, nxpk= 25, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HB3          28 ARG  HA          3.50    (#   1278:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1278, nxpk= 25, iat= 461, 458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 LYS  QD           28 ARG  HA          4.50    (#   1280:25  Unique         3.85, 4.67 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 444, 445,
 &end
#
#   29 LYS  HN           28 ARG  HA          4.50    (#   1281:25  Unique         2.87, 2.95 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 480, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ASN  HN           59 ALA  HA          4.50    (#   1282:25  Unique         3.30, 3.37 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 993, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ALA  HN           59 ALA  HA          3.50    (#   1283:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 ASN  QB           59 ALA  HA          3.50    (#   1284:25  Unique         2.95, 3.22 A)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 997, 998,
 &end
#
#   59 ALA  QB           59 ALA  HA          2.80    (#   1285:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 949, 950, 951,
 &end
#
#    1 MET  HG-           1 MET  HA          4.50    (#   1286:25  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#   30 LEU  HB2          25 ALA  HA          3.50    (#   1287:25  Unique         2.20, 2.40 A)
 &rst
  ixpk= 1287, nxpk= 25, iat= 506, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 ALA  HN           25 ALA  HA          4.50    (#   1288:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           25 ALA  HA          4.50    (#   1289:25  Unique         2.83, 4.59 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#   30 LEU  QD+          25 ALA  HA          4.50    (#   1290:25  Unique         2.15, 4.37 A)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   26 ASP  HN           25 ALA  QB          3.50    (#   1291:25  Unique         2.46, 3.31 A)
 &rst
  ixpk= 1291, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   25 ALA  HN           25 ALA  QB          2.80    (#   1292:25  Unique         2.47, 2.92 A)
 &rst
  ixpk= 1292, nxpk= 25, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#   86 PHE  HE           25 ALA  QB          3.50    (#   1293:25  Unique         3.41, 4.46 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1364,1368,
 igr2= 416, 417, 418,
 &end
#
#   56 PHE  QD           25 ALA  QB          5.50    (#   1295:25  Unique         3.97, 6.09 A)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 902, 910,
 igr2= 416, 417, 418,
 &end
#
#   22 GLN  HA           25 ALA  QB          3.50    (#   1296:25  Unique         2.56, 3.43 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   25 ALA  HA           25 ALA  QB          2.80    (#   1297:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1297, nxpk= 25, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#   86 PHE  HB2          25 ALA  QB          4.50    (#   1298:25  Unique         2.68, 3.56 A)
 &rst
  ixpk= 1298, nxpk= 25, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HB2          25 ALA  QB          3.50    (#   1299:25  Unique         2.27, 3.23 A)
 &rst
  ixpk= 1299, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   21 VAL  QG+          25 ALA  QB          3.50    (#   1300:25  Unique         3.72, 6.96 A)
 &rst
  ixpk= 1300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 353, 354, 355, 357, 358, 359,
 igr2= 416, 417, 418,
 &end
#
#   30 LEU  HB3          25 ALA  QB          4.50    (#   1301:25  Unique         3.45, 4.51 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   55 SER  HN           52 ALA  HA          4.50    (#   1302:25  Unique         3.17, 3.50 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 883, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ALA  HN           52 ALA  HA          3.50    (#   1303:25  Unique         2.90, 2.92 A)
 &rst
  ixpk= 1303, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 SER  HB-          52 ALA  HA          4.50    (#   1304:25  Unique         2.71, 3.66 A)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#   52 ALA  QB           52 ALA  HA          2.80    (#   1305:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 841, 842, 843,
 &end
#
#    0 AMB  25-3:1309    44 ILE  QD1         2.80    (#   1309:25  Single Ambig)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 730, 731, 732, 734, 735,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:1310    44 ILE  QD1         2.80    (#   1310:25  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 961, 962, 963, 353, 354, 355, 357, 358, 359,
 igr2= 737, 738, 739,
 &end
#
#   60 VAL  QG2          44 ILE  QD1         3.50    (#   1311:25  Unique         2.46, 3.90 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 965, 966, 967,
 igr2= 737, 738, 739,
 &end
#
#   72 ILE  HN           72 ILE  QG2         3.50    (#   1313:25  Unique         2.51, 3.38 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1140,1141,1142,
 &end
#
#   72 ILE  HA           72 ILE  QG2         4.50    (#   1314:25  Unique         3.75, 3.99 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1140,1141,1142,
 &end
#
#   71 ASP  HA           72 ILE  QG2         3.50    (#   1315:25  Unique         3.34, 4.50 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1140,1141,1142,
 &end
#
#   61 LYS  HB+          72 ILE  QG2         3.50    (#   1316:25  Unique         2.29, 4.85 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 975, 976,
 igr2=1140,1141,1142,
 &end
#
#    0 AMB  25-3:1317    72 ILE  QG2         2.80    (#   1317:25  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1138, 981, 982,
 igr2=1140,1141,1142,
 &end
#
#   61 LYS  HG-          72 ILE  QG2         3.50    (#   1318:25  Unique         3.43, 5.43 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 978, 979,
 igr2=1140,1141,1142,
 &end
#
#    8 VAL  QG+          72 ILE  QG2         4.50    (#   1319:25  Unique         4.58, 6.53 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2=1140,1141,1142,
 &end
#
#   72 ILE  QD1          72 ILE  QG2         2.80    (#   1321:25  Unique         2.19, 3.75 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1147,1148,1149,
 igr2=1140,1141,1142,
 &end
#
#   31 ALA  HN           30 LEU  HA          2.80    (#   1322:25  Unique         2.29, 2.39 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HN           30 LEU  HA          4.50    (#   1323:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1323, nxpk= 25, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HG           30 LEU  HA          4.50    (#   1324:25  Unique         2.20, 3.42 A)
 &rst
  ixpk= 1324, nxpk= 25, iat= 509, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HB3          30 LEU  HA          3.50    (#   1325:25  Unique         2.50, 2.56 A)
 &rst
  ixpk= 1325, nxpk= 25, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  QD-          30 LEU  HA          2.80    (#   1326:25  Unique         2.20, 3.62 A)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#    4 TYR  QD            6 ILE  QD1         2.80    (#   1327:25  Unique         2.31, 4.39 A)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  65,  74,
 igr2= 115, 116, 117,
 &end
#
#   56 PHE  QD            6 ILE  QD1         4.50    (#   1328:25  Unique         4.88, 8.03 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 115, 116, 117,
 &end
#
#    6 ILE  HA            6 ILE  QD1         4.50    (#   1329:25  Unique         2.29, 3.26 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    4 TYR  HB2           6 ILE  QD1         4.50    (#   1330:25  Unique         2.56, 3.62 A)
 &rst
  ixpk= 1330, nxpk= 25, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    4 TYR  HB3           6 ILE  QD1         4.50    (#   1331:25  Unique         2.46, 4.45 A)
 &rst
  ixpk= 1331, nxpk= 25, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 115, 116, 117,
 &end
#
#    6 ILE  HB            6 ILE  QD1         3.50    (#   1332:25  Unique         3.71, 3.94 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 115, 116, 117,
 &end
#
#    6 ILE  HG1+          6 ILE  QD1         2.80    (#   1333:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 112, 113,
 igr2= 115, 116, 117,
 &end
#
#   57 VAL  QG+           6 ILE  QD1         2.80    (#   1334:25  Unique         2.28, 4.47 A)
 &rst
  ixpk= 1334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 920, 921, 922, 924, 925, 926,
 igr2= 115, 116, 117,
 &end
#
#   74 VAL  QG-           6 ILE  QD1         3.50    (#   1335:25  Unique         2.18, 3.53 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 115, 116, 117,
 &end
#
#    0 AMB  25-3:1337    39 ASP  HA          3.50    (#   1337:25  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 650, 662,
 &end
#
#   39 ASP  HB2          39 ASP  HA          2.80    (#   1338:25  Unique         2.28, 2.44 A)
 &rst
  ixpk= 1338, nxpk= 25, iat= 654, 652, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 ASP  HB3          39 ASP  HA          3.50    (#   1339:25  Unique         2.45, 2.93 A)
 &rst
  ixpk= 1339, nxpk= 25, iat= 655, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 LYS  HA           72 ILE  QD1         3.50    (#   1341:25  Unique         2.72, 3.53 A)
 &rst
  ixpk= 1341, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1147,1148,1149,
 &end
#
#   61 LYS  HB+          72 ILE  QD1         3.50    (#   1342:25  Unique         2.35, 4.32 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 975, 976,
 igr2=1147,1148,1149,
 &end
#
#   72 ILE  HB           72 ILE  QD1         2.80    (#   1343:25  Unique         2.44, 3.09 A)
 &rst
  ixpk= 1343, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1147,1148,1149,
 &end
#
#    0 AMB  25-3:1344    72 ILE  QD1         2.80    (#   1344:25  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 978, 979,1144,1145,
 igr2=1147,1148,1149,
 &end
#
#    8 VAL  QG+          72 ILE  QD1         2.80    (#   1345:25  Unique         2.56, 4.53 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 146, 147, 148, 150, 151, 152,
 igr2=1147,1148,1149,
 &end
#
#    0 AMB  25-3:1346    72 ILE  QD1         2.80    (#   1346:25  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1144,1145, 920, 921, 922, 924, 925, 926, 146, 147,
       148, 150, 151, 152,1098,1099,1100,1102,1103,1104,
      
 igr2=1147,1148,1149,
 &end
#
#   34 VAL  QG+          88 ILE  QD1         4.50    (#   1348:25  Unique         4.65, 6.53 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  QD           88 ILE  QD1         4.50    (#   1349:25  Unique         2.61, 4.60 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 314, 323,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  HA           88 ILE  QD1         2.80    (#   1350:25  Unique         2.17, 3.02 A)
 &rst
  ixpk= 1350, nxpk= 25, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1398,1399,1400,
 &end
#
#   22 GLN  QG           88 ILE  QD1         3.50    (#   1351:25  Unique         2.57, 4.24 A)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371,
 igr2=1398,1399,1400,
 &end
#
#   22 GLN  HB3          88 ILE  QD1         3.50    (#   1352:25  Unique         2.34, 3.48 A)
 &rst
  ixpk= 1352, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HG1-         88 ILE  QD1         2.80    (#   1353:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1395,1396,
 igr2=1398,1399,1400,
 &end
#
#   18 ARG  HB-          88 ILE  QD1         3.50    (#   1354:25  Unique         3.26, 4.92 A)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 286, 287,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HB           88 ILE  QD1         2.80    (#   1355:25  Unique         2.33, 3.00 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1398,1399,1400,
 &end
#
#   34 VAL  QG-          88 ILE  QD1         4.50    (#   1356:25  Unique         4.65, 6.53 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  HG1+         88 ILE  QD1         2.80    (#   1358:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1395,1396,
 igr2=1398,1399,1400,
 &end
#
#   88 ILE  QG2          88 ILE  QD1         2.80    (#   1359:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1391,1392,1393,
 igr2=1398,1399,1400,
 &end
#
#   64 SER  HB3          65 PRO  HD+         3.50    (#   1360:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 1360, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   64 SER  HA           65 PRO  HD+         2.80    (#   1361:25  Unique         2.02, 2.50 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1026,1027,
 &end
#
#   65 PRO  HG+          65 PRO  HD+         2.80    (#   1362:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1029,1030,
 igr2=1026,1027,
 &end
#
#   64 SER  HA           65 PRO  HD-         3.50    (#   1363:25  Unique         2.02, 2.50 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   65 PRO  HG+          65 PRO  HD-         3.50    (#   1364:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1029,1030,
 igr2=1026,1027,
 &end
#
#   65 PRO  HB-          65 PRO  HD-         3.50    (#   1365:25  Unique         2.75, 3.68 A)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#   64 SER  HB3          65 PRO  HD-         3.50    (#   1366:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 1366, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   43 GLU  HG+           7 ILE  QD1         3.50    (#   1368:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 716, 717,
 igr2= 134, 135, 136,
 &end
#
#    0 AMB  25-3:1369     7 ILE  QD1         3.50    (#   1369:25  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622, 125,
 igr2= 134, 135, 136,
 &end
#
#    5 ARG  HG-           7 ILE  QD1         2.80    (#   1370:25  Unique         2.93, 4.32 A)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  85,  86,
 igr2= 134, 135, 136,
 &end
#
#    7 ILE  HG1-          7 ILE  QD1         2.80    (#   1371:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 131, 132,
 igr2= 134, 135, 136,
 &end
#
#   32 GLY  HN           31 ALA  HA          2.80    (#   1373:25  Unique         2.38, 2.44 A)
 &rst
  ixpk= 1373, nxpk= 25, iat= 531, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 ALA  HN           31 ALA  HA          3.50    (#   1374:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1374, nxpk= 25, iat= 521, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HB2          31 ALA  HA          3.50    (#   1375:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=1358, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 ALA  QB           31 ALA  HA          2.80    (#   1376:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 525, 526, 527,
 &end
#
#   86 PHE  HA           31 ALA  HA          4.50    (#   1377:25  Unique         2.93, 3.21 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=1356, 523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PRO  HG-          49 PRO  HD+         3.50    (#   1378:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1378, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#   30 LEU  QD-          49 PRO  HD+         3.50    (#   1379:25  Unique         2.34, 4.85 A)
 &rst
  ixpk= 1379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 795, 796,
 &end
#
#   48 GLY  HA+          49 PRO  HD+         2.80    (#   1380:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 1380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 789, 790,
 igr2= 795, 796,
 &end
#
#   49 PRO  HG+          49 PRO  HD+         3.50    (#   1382:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#    0 AMB  25-3:1383    49 PRO  HD-         2.80    (#   1383:25  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 789, 790, 789, 790,
 igr2= 795, 796,
 &end
#
#   30 LEU  QD-          49 PRO  HD-         3.50    (#   1384:25  Unique         2.34, 4.85 A)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 511, 512, 513, 515, 516, 517,
 igr2= 795, 796,
 &end
#
#   49 PRO  HG+          49 PRO  HD-         3.50    (#   1386:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#   49 PRO  HG-          49 PRO  HD-         3.50    (#   1387:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 798, 799,
 igr2= 795, 796,
 &end
#
#   52 ALA  QB           49 PRO  HD-         3.50    (#   1388:25  Unique         2.15, 3.83 A)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 841, 842, 843,
 igr2= 795, 796,
 &end
#
#   81 GLU  HN           80 LEU  HA          2.80    (#   1389:25  Unique         2.16, 2.31 A)
 &rst
  ixpk= 1389, nxpk= 25, iat=1274,1257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   81 GLU  HN           80 LEU  HA          3.50    (#   1390:25  Unique         2.16, 2.31 A)
 &rst
  ixpk= 1390, nxpk= 25, iat=1274,1257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  HN           80 LEU  HA          3.50    (#   1391:25  Unique         2.16, 2.31 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=1274,1257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HN           32 GLY  HA+         2.80    (#   1392:25  Unique         2.23, 2.61 A)
 &rst
  ixpk= 1392, nxpk= 25, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 533, 534,
 &end
#
#    8 VAL  HN            7 ILE  HA          2.80    (#   1395:25  Unique         2.23, 2.26 A)
 &rst
  ixpk= 1395, nxpk= 25, iat= 140, 123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 LYS  HN           34 VAL  HA          2.80    (#   1396:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 1396, nxpk= 25, iat= 578, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 SER  HN           86 PHE  HA          2.80    (#   1397:25  Unique         2.20, 2.26 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=1374,1356, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLY  HN           86 PHE  HA          2.80    (#   1398:25  Unique         2.31, 2.43 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 531,1356, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 ILE  HN            5 ARG  HA          2.80    (#   1399:25  Unique         2.29, 2.32 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 102,  80, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 SER  HN           76 GLU  HA          2.80    (#   1400:25  Unique         2.27, 2.35 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=1209,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:1401    76 GLU  HA          3.50    (#   1401:25  Single Ambig)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1194,  78,
 &end
#
#    4 TYR  QD           76 GLU  HA          5.50    (#   1402:25  Unique         3.12, 5.95 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  74,
 &end
#
#   47 GLU  HN           47 GLU  HA          3.50    (#   1404:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1404, nxpk= 25, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 TYR  HN            3 GLN  HA          2.80    (#   1407:25  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  57,  42, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ARG  HN            4 TYR  HA          2.80    (#   1408:25  Unique         2.23, 2.29 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  78,  59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  QD            4 TYR  HA          4.50    (#   1409:25  Unique         2.19, 4.20 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  65,  74,
 &end
#
#   36 ASN  HN           36 ASN  HA          4.50    (#   1410:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1410, nxpk= 25, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HN           36 ASN  HA          2.80    (#   1411:25  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1411, nxpk= 25, iat= 614, 602, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   10 GLY  HN            9 ASP  HA          2.80    (#   1412:25  Unique         2.27, 2.36 A)
 &rst
  ixpk= 1412, nxpk= 25, iat= 168, 158, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 GLU  HN           46 ALA  HA          2.80    (#   1414:25  Unique         2.26, 2.32 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 772, 764, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 ILE  HB            7 ILE  HA          4.50    (#   1416:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1416, nxpk= 25, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HB           72 ILE  HA          4.50    (#   1417:25  Unique         2.38, 2.42 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=1138,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 ILE  HG1+         72 ILE  HA          4.50    (#   1418:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#    6 ILE  HG1+          6 ILE  HA          3.50    (#   1421:25  Unique         3.25, 3.61 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 112, 113,
 &end
#
#    8 VAL  QG+          72 ILE  HA          5.50    (#   1424:25  Unique         3.53, 4.70 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   72 ILE  QG2          72 ILE  HA          4.50    (#   1425:25  Unique         3.75, 3.99 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1140,1141,1142,
 &end
#
#   34 VAL  QG-          34 VAL  HA          2.80    (#   1426:25  Unique         2.41, 3.55 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 568, 569, 570, 572, 573, 574,
 &end
#
#   34 VAL  HB           34 VAL  HA          3.50    (#   1427:25  Unique         2.44, 2.45 A)
 &rst
  ixpk= 1427, nxpk= 25, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HB2          86 PHE  HA          4.50    (#   1428:25  Unique         2.41, 2.48 A)
 &rst
  ixpk= 1428, nxpk= 25, iat=1358,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HB3           5 ARG  HA          4.50    (#   1431:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1431, nxpk= 25, iat=  83,  80, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HB2           5 ARG  HA          3.50    (#   1432:25  Unique         2.54, 2.57 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=  82,  80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 GLU  QB           76 GLU  HA          2.80    (#   1433:25  Unique         2.39, 2.57 A)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1198,1199,
 &end
#
#   76 GLU  QG           76 GLU  HA          3.50    (#   1434:25  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1201,1202,
 &end
#
#    7 ILE  QD1          43 GLU  HA          4.50    (#   1435:25  Unique         2.20, 3.33 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 134, 135, 136,
 &end
#
#   43 GLU  HG+          43 GLU  HA          3.50    (#   1436:25  Unique         2.51, 3.03 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   43 GLU  HB-          43 GLU  HA          3.50    (#   1437:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 713, 714,
 &end
#
#   47 GLU  QB           47 GLU  HA          3.50    (#   1438:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 776, 777,
 &end
#
#    0 AMB  25-3:1439    47 GLU  HA          3.50    (#   1439:25  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 779, 780,1281,1282,
 &end
#
#    0 AMB  25-3:1440    47 GLU  HA          4.50    (#   1440:25  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 779, 780,1281,1282,
 &end
#
#    3 GLN  HG-           3 GLN  HA          4.50    (#   1441:25  Unique         2.44, 2.98 A)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    0 AMB  25-3:1442     3 GLN  HA          3.50    (#   1442:25  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 779, 780,  44,
 &end
#
#    3 GLN  HB3           3 GLN  HA          3.50    (#   1443:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 1443, nxpk= 25, iat=  45,  42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 TYR  HB3           4 TYR  HA          3.50    (#   1444:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1444, nxpk= 25, iat=  62,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 TYR  HB2           4 TYR  HA          3.50    (#   1445:25  Unique         2.30, 2.42 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=  61,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ASN  HB2          36 ASN  HA          3.50    (#   1446:25  Unique         2.29, 2.34 A)
 &rst
  ixpk= 1446, nxpk= 25, iat= 604, 602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 VAL  QG+          36 ASN  HA          3.50    (#   1447:25  Unique         2.55, 4.16 A)
 &rst
  ixpk= 1447, nxpk= 25, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#    9 ASP  HB3           9 ASP  HA          4.50    (#   1448:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1448, nxpk= 25, iat= 161, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 ARG  HG+           9 ASP  HA          4.50    (#   1449:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   12 VAL  QG-           9 ASP  HA          3.50    (#   1450:25  Unique         3.10, 4.35 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   46 ALA  QB           46 ALA  HA          2.80    (#   1451:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 766, 767, 768,
 &end
#
#    0 AMB  25-3:1454     7 ILE  HG1-        5.50    (#   1454:25  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1= 737, 738, 739, 146, 147, 148, 150, 151, 152,1144,
      1145,
 igr2= 131, 132,
 &end
#
#   72 ILE  HG1+         72 ILE  HB          3.50    (#   1456:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1144,1145,
 &end
#
#   44 ILE  HA           34 VAL  HA          2.80    (#   1457:25  Unique         2.20, 2.26 A)
 &rst
  ixpk= 1457, nxpk= 25, iat= 726, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   87 SER  HB2          87 SER  HA          4.50    (#   1459:25  Unique         2.60, 2.78 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=1378,1376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HB3          87 SER  HA          3.50    (#   1460:25  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=1379,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   87 SER  HN           87 SER  HA          3.50    (#   1461:25  Unique         2.89, 2.97 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=1374,1376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ILE  HN           87 SER  HA          2.80    (#   1462:25  Unique         2.15, 2.22 A)
 &rst
  ixpk= 1462, nxpk= 25, iat=1385,1376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 ASN  HB3          36 ASN  HA          3.50    (#   1466:25  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 605, 602, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 VAL  QG-          33 TRP  HB+         3.50    (#   1468:25  Unique         2.23, 4.92 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 542, 543,
 &end
#
#   83 HIS  HN           82 GLY  HA+         4.50    (#   1470:25  Unique         2.50, 3.21 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=1296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1291,1292,
 &end
#
#   30 LEU  QD+          30 LEU  HB3         3.50    (#   1473:25  Unique         2.43, 3.35 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  QD-          30 LEU  HB2         4.50    (#   1475:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 1475, nxpk= 25, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   45 LEU  HG           45 LEU  HB+         3.50    (#   1476:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1476, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 747, 748,
 &end
#
#   45 LEU  HG           45 LEU  HB-         4.50    (#   1477:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1477, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   45 LEU  QD-          45 LEU  HB+         3.50    (#   1478:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   45 LEU  QD-          45 LEU  HB-         3.50    (#   1479:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#    7 ILE  HG1+          5 ARG  HD-         3.50    (#   1480:25  Unique         3.68, 4.95 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 131, 132,
 igr2=  88,  89,
 &end
#
#    5 ARG  HB3           5 ARG  HD+         4.50    (#   1481:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#   78 ARG  HA           78 ARG  QD          3.50    (#   1482:25  Unique         2.13, 2.97 A)
 &rst
  ixpk= 1482, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1230,1231,
 &end
#
#   30 LEU  HN           30 LEU  HB2         4.50    (#   1486:25  Unique         2.28, 2.36 A)
 &rst
  ixpk= 1486, nxpk= 25, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  QD+          53 LEU  HB3         4.50    (#   1488:25  Unique         2.42, 3.13 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#   53 LEU  HA           53 LEU  HB3         4.50    (#   1489:25  Unique         2.53, 2.55 A)
 &rst
  ixpk= 1489, nxpk= 25, iat= 849, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HG           53 LEU  HB2         4.50    (#   1491:25  Unique         2.42, 2.49 A)
 &rst
  ixpk= 1491, nxpk= 25, iat= 854, 851, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PHE  HA           17 PHE  HB+         3.50    (#   1492:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 1492, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 266, 267,
 &end
#
#   17 PHE  HN           17 PHE  HB+         4.50    (#   1493:25  Unique         2.15, 2.49 A)
 &rst
  ixpk= 1493, nxpk= 25, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 266, 267,
 &end
#
#   90 TYR  HN           90 TYR  HB2         4.50    (#   1494:25  Unique         2.36, 2.51 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HA           26 ASP  HB3         4.50    (#   1495:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 1495, nxpk= 25, iat= 382, 427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HG-          35 LYS  HB3         4.50    (#   1496:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#   21 VAL  HN           20 PHE  HB+         4.50    (#   1498:25  Unique         2.56, 3.34 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   21 VAL  HN           20 PHE  HB-         4.50    (#   1499:25  Unique         2.56, 3.34 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   88 ILE  HA           88 ILE  HB          4.50    (#   1500:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1500, nxpk= 25, iat=1387,1389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HA           35 LYS  HB2         3.50    (#   1501:25  Unique         2.29, 2.38 A)
 &rst
  ixpk= 1501, nxpk= 25, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 LYS  HG+          35 LYS  HB2         3.50    (#   1502:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   35 LYS  HG-          35 LYS  HB2         3.50    (#   1503:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   76 GLU  HA           76 GLU  QG          5.50    (#   1504:25  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1201,1202,
 &end
#
#   76 GLU  HN           76 GLU  QG          3.50    (#   1505:25  Unique         2.50, 3.48 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1201,1202,
 &end
#
#    3 GLN  HA            3 GLN  HG-         4.50    (#   1506:25  Unique         2.44, 2.98 A)
 &rst
  ixpk= 1506, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#    3 GLN  HE2+          3 GLN  HG-         4.50    (#   1507:25  Unique         2.53, 3.57 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,
 igr2=  47,  48,
 &end
#
#    4 TYR  HN            3 GLN  HG+         4.50    (#   1508:25  Unique         2.47, 2.99 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#   42 VAL  HA           42 VAL  HB          4.50    (#   1509:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 1509, nxpk= 25, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1510    42 VAL  HB          4.50    (#   1510:25  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 146, 147, 148, 150, 151, 152, 737, 738, 739,
 &end
#
#   54 GLN  HN           54 GLN  HG-         4.50    (#   1511:25  Unique         2.54, 3.20 A)
 &rst
  ixpk= 1511, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 873, 874,
 &end
#
#   54 GLN  HA           54 GLN  HG+         4.50    (#   1512:25  Unique         2.65, 3.27 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 873, 874,
 &end
#
#   77 SER  HB-           3 GLN  HB2         4.50    (#   1513:25  Unique         2.91, 4.31 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1213,1214,
 &end
#
#    0 AMB  25-3:1514     3 GLN  HB2         4.50    (#   1514:25  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  40,1244,
 &end
#
#    8 VAL  HA            8 VAL  HB          4.50    (#   1515:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 142, 144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1516     0 AMB  25-1:1516   3.50    (#   1516:25  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 624, 625,1213,1214,
 igr2= 713, 714,  45,
 &end
#
#   88 ILE  QD1          22 GLN  QG          4.50    (#   1517:25  Unique         2.57, 4.24 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1398,1399,1400,
 igr2= 370, 371,
 &end
#
#   37 ARG  HN           37 ARG  HB2         4.50    (#   1518:25  Unique         2.27, 2.37 A)
 &rst
  ixpk= 1518, nxpk= 25, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASP  HN           37 ARG  HB3         4.50    (#   1519:25  Unique         2.33, 2.51 A)
 &rst
  ixpk= 1519, nxpk= 25, iat= 650, 619, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1520     0 AMB  25-1:1520   4.50    (#   1520:25  Double Ambig)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 621, 622, 401,
 igr2= 619, 404, 405,
 &end
#
#   33 TRP  HE3          33 TRP  HB+         5.50    (#   1521:25  Unique         2.52, 3.34 A)
 &rst
  ixpk= 1521, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 542, 543,
 &end
#
#   83 HIS  HA           83 HIS  HB3         4.50    (#   1522:25  Unique         2.23, 2.67 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=1298,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HD-           5 ARG  HB2         4.50    (#   1525:25  Unique         2.45, 3.07 A)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  82, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    5 ARG  HA            5 ARG  HB3         5.50    (#   1526:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  80,  83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 GLN  HA           57 VAL  HB          4.50    (#   1527:25  Unique         3.32, 4.21 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 868, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HD-          28 ARG  HB2         4.50    (#   1528:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,
 &end
#
#   65 PRO  HD-          65 PRO  HB-         4.50    (#   1530:25  Unique         2.75, 3.68 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1026,1027,
 igr2=1032,1033,
 &end
#
#   78 ARG  QD           78 ARG  HB-         3.50    (#   1532:25  Unique         2.36, 3.46 A)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1230,1231,
 igr2=1224,1225,
 &end
#
#   78 ARG  HA           78 ARG  HB-         4.50    (#   1533:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1533, nxpk= 25, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1224,1225,
 &end
#
#   57 VAL  QG+          57 VAL  HA          2.80    (#   1534:25  Unique         2.42, 3.43 A)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 920, 921, 922, 924, 925, 926,
 &end
#
#   57 VAL  HN           57 VAL  HA          4.50    (#   1535:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HN           57 VAL  HA          5.50    (#   1536:25  Unique         2.81, 2.98 A)
 &rst
  ixpk= 1536, nxpk= 25, iat= 955, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 LYS  HE+          35 LYS  HD+         4.50    (#   1537:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 591, 592,
 igr2= 588, 589,
 &end
#
#   35 LYS  HB3          35 LYS  HD-         4.50    (#   1538:25  Unique         2.33, 2.94 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   35 LYS  HE-          35 LYS  HD-         4.50    (#   1539:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 591, 592,
 igr2= 588, 589,
 &end
#
#   68 LYS  QE           68 LYS  QD          2.80    (#   1540:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1083,1084,
 igr2=1080,1081,
 &end
#
#   68 LYS  HN           11 ARG  HB-         4.50    (#   1541:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   80 LEU  HN           80 LEU  HG          3.50    (#   1542:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=1255,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 LYS  QE           29 LYS  HD-         4.50    (#   1544:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 493, 494,
 igr2= 490, 491,
 &end
#
#   11 ARG  HD+          11 ARG  HB+         4.50    (#   1546:25  Unique         2.36, 3.23 A)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#    5 ARG  HD-           5 ARG  HG-         4.50    (#   1547:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#   88 ILE  HN           88 ILE  HG1-        3.50    (#   1548:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1548, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   37 ARG  HN           37 ARG  HG-         4.50    (#   1549:25  Unique         2.75, 3.54 A)
 &rst
  ixpk= 1549, nxpk= 25, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:1550     0 AMB  25-1:1550   3.50    (#   1550:25  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 404, 405,
 igr2= 621, 622, 401,
 &end
#
#   37 ARG  HD-          37 ARG  HG-         3.50    (#   1551:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   55 SER  HN           54 GLN  HB3         4.50    (#   1552:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1552, nxpk= 25, iat= 883, 871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 SER  HN           54 GLN  HB2         4.50    (#   1553:25  Unique         2.36, 2.44 A)
 &rst
  ixpk= 1553, nxpk= 25, iat= 883, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HG+          54 GLN  HB2         4.50    (#   1554:25  Unique         2.35, 2.45 A)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#   85 ARG  HA           85 ARG  HG-         4.50    (#   1555:25  Unique         2.52, 3.26 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1337,1338,
 &end
#
#    3 GLN  HN            2 LEU  QD+         4.50    (#   1557:25  Unique         1.95, 3.92 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   27 LYS  HE-          27 LYS  QG          3.50    (#   1558:25  Unique         2.31, 3.54 A)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 447, 448,
 igr2= 441, 442,
 &end
#
#   56 PHE  HB3          53 LEU  QD+         4.50    (#   1566:25  Unique         3.40, 5.62 A)
 &rst
  ixpk= 1566, nxpk= 25, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   47 GLU  HA           53 LEU  QD+         4.50    (#   1567:25  Unique         2.65, 4.30 A)
 &rst
  ixpk= 1567, nxpk= 25, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    4 TYR  QD           53 LEU  QD+         4.50    (#   1568:25  Unique         3.02, 4.71 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   48 GLY  HN           53 LEU  QD+         4.50    (#   1569:25  Unique         2.24, 4.19 A)
 &rst
  ixpk= 1569, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   22 GLN  HN           21 VAL  QG+         4.50    (#   1572:25  Unique         3.49, 4.63 A)
 &rst
  ixpk= 1572, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   13 GLN  HE2-         42 VAL  QG+         4.50    (#   1573:25  Unique         3.14, 5.46 A)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 227, 228,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   54 GLN  HG+          54 GLN  HA          4.50    (#   1574:25  Unique         2.65, 3.27 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 873, 874,
 &end
#
#   23 MET  HN           22 GLN  HA          4.50    (#   1577:25  Unique         3.62, 3.62 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 380, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  QE           22 GLN  HA          4.50    (#   1578:25  Unique         2.59, 4.22 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1364,1368,
 &end
#
#   24 GLU  HN           23 MET  HA          4.50    (#   1579:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1579, nxpk= 25, iat= 397, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QD           53 LEU  HA          4.50    (#   1581:25  Unique         3.08, 4.57 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 902, 910,
 &end
#
#    0 AMB  25-3:1582    64 SER  HA          4.50    (#   1582:25  Single Ambig)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 335, 343,1014,
 &end
#
#   65 PRO  HG+          64 SER  HA          4.50    (#   1583:25  Unique         3.77, 4.45 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1029,1030,
 &end
#
#   18 ARG  HB+          88 ILE  QG2         4.50    (#   1584:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 1584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 286, 287,
 igr2=1391,1392,1393,
 &end
#
#   90 TYR  QD           88 ILE  QG2         4.50    (#   1585:25  Unique         4.89, 7.18 A)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1428,1437,
 igr2=1391,1392,1393,
 &end
#
#   46 ALA  HN           44 ILE  QG2         5.50    (#   1586:25  Unique         3.35, 5.19 A)
 &rst
  ixpk= 1586, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 730, 731, 732,
 &end
#
#    0 AMB  25-3:1587    25 ALA  QB          5.50    (#   1587:25  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 521, 434,
 igr2= 416, 417, 418,
 &end
#
#   61 LYS  HA           72 ILE  QG2         4.50    (#   1588:25  Unique         3.90, 5.27 A)
 &rst
  ixpk= 1588, nxpk= 25, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1140,1141,1142,
 &end
#
#   72 ILE  HA           72 ILE  QD1         4.50    (#   1590:25  Unique         4.13, 4.58 A)
 &rst
  ixpk= 1590, nxpk= 25, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1147,1148,1149,
 &end
#
#   88 ILE  HN           88 ILE  QD1         4.50    (#   1591:25  Unique         3.75, 4.44 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1398,1399,1400,
 &end
#
#    7 ILE  HA            7 ILE  QD1         3.50    (#   1592:25  Unique         2.38, 3.25 A)
 &rst
  ixpk= 1592, nxpk= 25, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 134, 135, 136,
 &end
#
#   43 GLU  HA            7 ILE  QD1         4.50    (#   1593:25  Unique         2.20, 3.33 A)
 &rst
  ixpk= 1593, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 134, 135, 136,
 &end
#
#   32 GLY  HA+          46 ALA  HA          3.50    (#   1594:25  Unique         2.05, 2.78 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   65 PRO  HB-          65 PRO  HD+         4.50    (#   1595:25  Unique         2.75, 3.68 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
#    9 ASP  HB2           9 ASP  HA          3.50    (#   1596:25  Unique         2.47, 2.52 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 160, 158, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 ILE  HA           43 GLU  HA          3.50    (#   1597:25  Unique         2.37, 2.47 A)
 &rst
  ixpk= 1597, nxpk= 25, iat= 123, 711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  HN           59 ALA  HA          4.50    (#   1599:25  Unique         3.60, 3.62 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 955, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 LEU  HN           80 LEU  HA          4.50    (#   1600:25  Unique         2.87, 2.92 A)
 &rst
  ixpk= 1600, nxpk= 25, iat=1255,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HN           25 ALA  HA          4.50    (#   1601:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 1601, nxpk= 25, iat= 422, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1602     1 MET  QE          4.50    (#   1602:25  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=   6,1291,1292,
 igr2=  15,  16,  17,
 &end
#
#   29 LYS  HD-          29 LYS  HA          4.50    (#   1606:25  Unique         2.17, 3.81 A)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 490, 491,
 &end
#
#   31 ALA  QB           83 HIS  HA          5.50    (#   1607:25  Unique         2.11, 3.70 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 525, 526, 527,
 &end
#
#   75 THR  HB           75 THR  HA          3.50    (#   1609:25  Unique         2.97, 3.03 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HN           55 SER  HB+         4.50    (#   1610:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 1610, nxpk= 25, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   80 LEU  HN           79 SER  HB2         4.50    (#   1612:25  Unique         3.19, 3.81 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=1255,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 SER  HN           87 SER  HB2         4.50    (#   1613:25  Unique         2.65, 3.25 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 ILE  HN           87 SER  HB3         4.50    (#   1614:25  Unique         2.76, 3.52 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=1385,1379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1615     0 AMB  25-1:1615   5.50    (#   1615:25  Double Ambig)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 973, 399,
 igr2= 981, 982, 444, 445,
 &end
#
#   58 GLU  HA           61 LYS  QD          3.50    (#   1616:25  Unique         2.73, 3.59 A)
 &rst
  ixpk= 1616, nxpk= 25, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 981, 982,
 &end
#
#   21 VAL  HA           21 VAL  HB          4.50    (#   1617:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1617, nxpk= 25, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 ARG  HA           28 ARG  HB3         4.50    (#   1618:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1618, nxpk= 25, iat= 458, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HG+           5 ARG  HB3         3.50    (#   1619:25  Unique         2.57, 2.83 A)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#   23 MET  HA           23 MET  HG+         4.50    (#   1620:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 1620, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   23 MET  HN           23 MET  HG+         4.50    (#   1621:25  Unique         2.45, 2.96 A)
 &rst
  ixpk= 1621, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#   49 PRO  HB-          51 ASN  QB          4.50    (#   1625:25  Unique         3.16, 4.94 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801, 802,
 igr2= 827, 828,
 &end
#
#   36 ASN  HD2-         36 ASN  HB3         4.50    (#   1626:25  Unique         2.24, 3.38 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 609, 610,
 &end
#
#   36 ASN  HA           36 ASN  HB3         4.50    (#   1627:25  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1627, nxpk= 25, iat= 602, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 GLN  HE2-         81 GLU  HG-         4.50    (#   1628:25  Unique         1.91, 5.28 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,
 igr2=1281,1282,
 &end
#
#   19 TYR  HN           19 TYR  HB2         3.50    (#   1630:25  Unique         2.43, 2.50 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1632     0 AMB  25-1:1632   4.50    (#   1632:25  Double Ambig)
 &rst
  ixpk= 1632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 585, 586, 621, 622,
 igr2= 591, 592, 591, 592,
 &end
#
#   30 LEU  HG           30 LEU  HB2         4.50    (#   1633:25  Unique         2.40, 2.46 A)
 &rst
  ixpk= 1633, nxpk= 25, iat= 509, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  HA           30 LEU  HB2         4.50    (#   1634:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1634, nxpk= 25, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  QD           28 ARG  HD-         3.50    (#   1636:25  Unique         3.60, 5.21 A)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445,
 igr2= 466, 467,
 &end
#
#   53 LEU  HA           56 PHE  HB2         4.50    (#   1638:25  Unique         3.05, 3.21 A)
 &rst
  ixpk= 1638, nxpk= 25, iat= 849, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 ARG  QD            9 ASP  HB2         4.50    (#   1639:25  Unique         2.79, 3.98 A)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 680,
 &end
#
#   56 PHE  HN           56 PHE  HB2         4.50    (#   1640:25  Unique         2.36, 2.46 A)
 &rst
  ixpk= 1640, nxpk= 25, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLN  HA           22 GLN  HB2         3.50    (#   1642:25  Unique         2.30, 2.31 A)
 &rst
  ixpk= 1642, nxpk= 25, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ARG  HA           85 ARG  HG+         4.50    (#   1644:25  Unique         2.52, 3.26 A)
 &rst
  ixpk= 1644, nxpk= 25, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1337,1338,
 &end
#
#   58 GLU  QB           59 ALA  QB          5.50    (#   1645:25  Unique         4.26, 5.46 A)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 934, 935,
 igr2= 949, 950, 951,
 &end
#
#    0 AMB  25-3:1646    59 ALA  QB          4.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 997, 998, 447, 448,
 igr2= 949, 950, 951,
 &end
#
#   56 PHE  QD           44 ILE  QD1         4.50    (#   1649:25  Unique         5.33, 7.29 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 902, 910,
 igr2= 737, 738, 739,
 &end
#
#    5 ARG  HG+           7 ILE  QD1         4.50    (#   1651:25  Unique         2.93, 4.32 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  85,  86,
 igr2= 134, 135, 136,
 &end
#
#   21 VAL  HN           21 VAL  HA          4.50    (#   1653:25  Unique         2.83, 2.83 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1654    21 VAL  HA          4.50    (#   1654:25  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 351, 404, 405,
 &end
#
#   22 GLN  HB2          22 GLN  HA          4.50    (#   1655:25  Unique         2.30, 2.31 A)
 &rst
  ixpk= 1655, nxpk= 25, iat= 367, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1659    63 GLY  HA-         4.50    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 igr2=1009,1010,
 &end
#
#   63 GLY  HN           63 GLY  HA-         3.50    (#   1661:25  Unique         2.25, 2.54 A)
 &rst
  ixpk= 1661, nxpk= 25, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1009,1010,
 &end
#
#   12 VAL  QG+          10 GLY  HA-         5.50    (#   1662:25  Unique         2.80, 4.97 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 170, 171,
 &end
#
#   69 VAL  HA           10 GLY  HA+         4.50    (#   1663:25  Unique         2.27, 3.36 A)
 &rst
  ixpk= 1663, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 170, 171,
 &end
#
#   70 THR  QG2          10 GLY  HA+         3.50    (#   1665:25  Unique         2.59, 3.65 A)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2= 170, 171,
 &end
#
#   12 VAL  QG+          10 GLY  HA+         4.50    (#   1666:25  Unique         2.80, 4.97 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 170, 171,
 &end
#
#   10 GLY  HN           10 GLY  HA+         3.50    (#   1667:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1667, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#   11 ARG  HN           10 GLY  HA+         2.80    (#   1668:25  Unique         2.23, 2.57 A)
 &rst
  ixpk= 1668, nxpk= 25, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 170, 171,
 &end
#
#   46 ALA  HA           32 GLY  HA+         3.50    (#   1670:25  Unique         2.05, 2.78 A)
 &rst
  ixpk= 1670, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-3:1671     0 AMB  25-1:1671   4.50    (#   1671:25  Double Ambig)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 134, 135, 136, 127, 128, 129,
 igr2= 624, 625, 624, 625,
 &end
#
#   28 ARG  HB3          28 ARG  HD+         4.50    (#   1672:25  Unique         2.68, 3.86 A)
 &rst
  ixpk= 1672, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 466, 467,
 &end
#
#   45 LEU  QD+          45 LEU  HB-         4.50    (#   1675:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2= 747, 748,
 &end
#
#   30 LEU  HG           30 LEU  HB3         4.50    (#   1676:25  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HG+          18 ARG  HD+         3.50    (#   1678:25  Unique         2.37, 2.59 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 289, 290,
 igr2= 292, 293,
 &end
#
#   35 LYS  HB3          18 ARG  HD-         5.50    (#   1679:25  Unique         5.08, 5.60 A)
 &rst
  ixpk= 1679, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 292, 293,
 &end
#
#   18 ARG  HB+          18 ARG  HD-         4.50    (#   1680:25  Unique         2.59, 3.37 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 286, 287,
 igr2= 292, 293,
 &end
#
#   29 LYS  HD-          29 LYS  QE          4.50    (#   1683:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 490, 491,
 igr2= 493, 494,
 &end
#
#   29 LYS  QB           29 LYS  QE          5.50    (#   1684:25  Unique         2.13, 4.48 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 484, 485,
 igr2= 493, 494,
 &end
#
#   27 LYS  QB           27 LYS  HE-         4.50    (#   1685:25  Unique         2.05, 3.94 A)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 438, 439,
 igr2= 447, 448,
 &end
#
#   27 LYS  QB           27 LYS  HE+         4.50    (#   1689:25  Unique         2.05, 3.94 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 438, 439,
 igr2= 447, 448,
 &end
#
#   56 PHE  HA           56 PHE  HB3         3.50    (#   1691:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1691, nxpk= 25, iat= 896, 899, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 ASP  HA           39 ASP  HB3         4.50    (#   1692:25  Unique         2.45, 2.93 A)
 &rst
  ixpk= 1692, nxpk= 25, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASP  HN           39 ASP  HB3         4.50    (#   1693:25  Unique         2.02, 2.48 A)
 &rst
  ixpk= 1693, nxpk= 25, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ASP  HN           26 ASP  HB2         3.50    (#   1694:25  Unique         2.37, 2.42 A)
 &rst
  ixpk= 1694, nxpk= 25, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 TYR  HA           90 TYR  HB3         4.50    (#   1696:25  Unique         2.31, 2.97 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=1422,1425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1697     7 ILE  HB          2.80    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1, 125, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1157,1158,1157,1158,
 &end
#
#    7 ILE  HN            7 ILE  HB          3.50    (#   1698:25  Unique         2.72, 2.81 A)
 &rst
  ixpk= 1698, nxpk= 25, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 VAL  HB           66 PHE  HB+         4.50    (#   1699:25  Unique         2.33, 3.17 A)
 &rst
  ixpk= 1699, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   15 VAL  HB           66 PHE  HB-         4.50    (#   1700:25  Unique         2.33, 3.17 A)
 &rst
  ixpk= 1700, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   35 LYS  HD+          35 LYS  HB2         4.50    (#   1703:25  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 588, 589,
 &end
#
#   45 LEU  HG            3 GLN  HG-         4.50    (#   1705:25  Unique         3.85, 4.31 A)
 &rst
  ixpk= 1705, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#   45 LEU  QD+           3 GLN  HG-         4.50    (#   1706:25  Unique         2.41, 4.46 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  47,  48,
 &end
#
#    7 ILE  QD1          43 GLU  HG+         4.50    (#   1709:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 134, 135, 136,
 igr2= 716, 717,
 &end
#
#    0 AMB  25-3:1713     0 AMB  25-1:1713   4.50    (#   1713:25  Double Ambig)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 127, 128, 129,1264,1265,1266,1268,1269,1270,
 igr2= 713, 714,  45,
 &end
#
#   80 LEU  QD-           1 MET  HB-         3.50    (#   1714:25  Unique         2.29, 4.98 A)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=   8,   9,
 &end
#
#   80 LEU  QD+           1 MET  HB-         4.50    (#   1715:25  Unique         2.29, 4.98 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         3.50    (#   1719:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#    2 LEU  HN            1 MET  HB-         3.50    (#   1720:25  Unique         2.13, 3.18 A)
 &rst
  ixpk= 1720, nxpk= 25, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#    3 GLN  HE2+          3 GLN  HB3         4.50    (#   1721:25  Unique         3.04, 3.69 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    8 VAL  HN            8 VAL  HB          3.50    (#   1722:25  Unique         2.78, 2.85 A)
 &rst
  ixpk= 1722, nxpk= 25, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 GLN  HN           54 GLN  HG+         3.50    (#   1723:25  Unique         2.54, 3.20 A)
 &rst
  ixpk= 1723, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 873, 874,
 &end
#
#   86 PHE  HB3          22 GLN  QG          5.50    (#   1724:25  Unique         3.33, 4.55 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 370, 371,
 &end
#
#   19 TYR  HA           22 GLN  QG          4.50    (#   1725:25  Unique         4.20, 4.78 A)
 &rst
  ixpk= 1725, nxpk= 25, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 370, 371,
 &end
#
#   37 ARG  HD-          37 ARG  HB3         4.50    (#   1728:25  Unique         2.34, 3.30 A)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 624, 625,
 &end
#
#   37 ARG  HD+          37 ARG  HB3         4.50    (#   1729:25  Unique         2.34, 3.30 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 624, 625,
 &end
#
#    0 AMB  25-3:1730    13 GLN  HG-         4.50    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 222, 223,
 &end
#
#   13 GLN  HB2          13 GLN  HG+         3.50    (#   1731:25  Unique         2.46, 2.49 A)
 &rst
  ixpk= 1731, nxpk= 25, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 222, 223,
 &end
#
#   66 PHE  HB+          15 VAL  HB          3.50    (#   1733:25  Unique         2.33, 3.17 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1043,1044,
 &end
#
#   15 VAL  QG-          15 VAL  HB          2.80    (#   1734:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#   15 VAL  QG+          15 VAL  HB          2.80    (#   1735:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 245, 246, 247, 249, 250, 251,
 &end
#
#    4 TYR  QD           76 GLU  QB          5.50    (#   1737:25  Unique         2.63, 6.74 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  65,  74,
 igr2=1198,1199,
 &end
#
#   12 VAL  HN           12 VAL  HB          4.50    (#   1740:25  Unique         3.78, 3.82 A)
 &rst
  ixpk= 1740, nxpk= 25, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 VAL  HN           60 VAL  HB          3.50    (#   1741:25  Unique         2.28, 2.37 A)
 &rst
  ixpk= 1741, nxpk= 25, iat= 955, 959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HN            5 ARG  HB2         4.50    (#   1742:25  Unique         3.08, 3.19 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ARG  HN           78 ARG  HB-         4.50    (#   1744:25  Unique         2.26, 2.96 A)
 &rst
  ixpk= 1744, nxpk= 25, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1224,1225,
 &end
#
#   35 LYS  HG+          35 LYS  HD+         3.50    (#   1745:25  Unique         2.32, 2.72 A)
 &rst
  ixpk= 1745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 585, 586,
 igr2= 588, 589,
 &end
#
#   61 LYS  HG-          58 GLU  QB          5.50    (#   1747:25  Unique         4.48, 5.56 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 978, 979,
 igr2= 934, 935,
 &end
#
#   29 LYS  QB           29 LYS  HD-         5.50    (#   1749:25  Unique         2.37, 3.10 A)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 484, 485,
 igr2= 490, 491,
 &end
#
#   11 ARG  HD+          11 ARG  HB-         3.50    (#   1752:25  Unique         2.36, 3.23 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:1753    78 ARG  HG-         3.50    (#   1753:25  Single Ambig)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 igr2=1227,1228,
 &end
#
#   72 ILE  HB           72 ILE  HG1-        3.50    (#   1754:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1145,
 &end
#
#   49 PRO  HD+          49 PRO  HG+         3.50    (#   1756:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 798, 799,
 &end
#
#    5 ARG  HB3           5 ARG  HG-         2.80    (#   1757:25  Unique         2.57, 2.83 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  85,  86,
 &end
#
#   43 GLU  HG+           5 ARG  HG-         4.50    (#   1758:25  Unique         2.83, 3.78 A)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 716, 717,
 igr2=  85,  86,
 &end
#
#   24 GLU  HN           24 GLU  HB2         3.50    (#   1759:25  Unique         2.23, 2.36 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  QG+          88 ILE  HG1+        3.50    (#   1762:25  Unique         2.63, 4.66 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1395,1396,
 &end
#
#   88 ILE  HA           88 ILE  HG1+        3.50    (#   1763:25  Unique         2.66, 2.83 A)
 &rst
  ixpk= 1763, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   78 ARG  QD            2 LEU  QD+         4.50    (#   1766:25  Unique         2.25, 4.97 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1230,1231,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   50 GLU  HA            2 LEU  QD+         4.50    (#   1767:25  Unique         2.24, 4.65 A)
 &rst
  ixpk= 1767, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    3 GLN  HG+          45 LEU  QD+         3.50    (#   1768:25  Unique         2.41, 4.46 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  47,  48,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1769     0 AMB  25-1:1769   5.50    (#   1769:25  Double Ambig)
 &rst
  ixpk= 1769, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=  83, 776, 777,
 igr2= 752, 753, 754, 756, 757, 758, 752, 753, 754, 756,
       757, 758,
 &end
#
#   47 GLU  HG-          45 LEU  QD+         3.50    (#   1770:25  Unique         2.82, 5.32 A)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 779, 780,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   47 GLU  HG-          45 LEU  QD+         5.50    (#   1771:25  Unique         2.82, 5.32 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 779, 780,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#   47 GLU  HG-          45 LEU  QD+         5.50    (#   1772:25  Unique         2.82, 5.32 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 779, 780,
 igr2= 752, 753, 754, 756, 757, 758,
 &end
#
#    0 AMB  25-3:1773     0 AMB  25-1:1773   5.50    (#   1773:25  Double Ambig)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=  30,  31,  32,  34,  35,  36, 766, 767, 768,
 igr2= 856, 857, 858, 860, 861, 862, 856, 857, 858, 860,
       861, 862,
 &end
#
#   18 ARG  HD+          34 VAL  QG-         4.50    (#   1775:25  Unique         3.20, 4.91 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 292, 293,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   35 LYS  HG+          34 VAL  QG-         5.50    (#   1776:25  Unique         4.81, 6.77 A)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 585, 586,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   47 GLU  QB           31 ALA  QB          2.80    (#   1777:25  Unique         2.16, 4.21 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 776, 777,
 igr2= 525, 526, 527,
 &end
#
#   85 ARG  HN           31 ALA  QB          3.50    (#   1778:25  Unique         2.16, 3.52 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 525, 526, 527,
 &end
#
#    8 VAL  HB           12 VAL  QG+         3.50    (#   1780:25  Unique         2.96, 4.29 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   10 GLY  HA-          12 VAL  QG+         5.50    (#   1781:25  Unique         2.80, 4.97 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 170, 171,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   21 VAL  HA           60 VAL  QG2         4.50    (#   1782:25  Unique         3.43, 4.38 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 965, 966, 967,
 &end
#
#    0 AMB  25-3:1783     0 AMB  25-1:1783   5.50    (#   1783:25  Double Ambig)
 &rst
  ixpk= 1783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.59, r4=13.09,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#    0 AMB  25-3:1784     0 AMB  25-1:1784   3.50    (#   1784:25  Double Ambig)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 671, 177,
 igr2= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 &end
#
#   69 VAL  HA            0 AMB  25-1:1785   2.80    (#   1785:25  Single Ambig)
 &rst
  ixpk= 1785, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 &end
#
#    6 ILE  HA           74 VAL  QG-         4.50    (#   1786:25  Unique         3.54, 4.81 A)
 &rst
  ixpk= 1786, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-3:1787     0 AMB  25-1:1787   4.50    (#   1787:25  Double Ambig)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.30, r4=10.80,
 igr1= 961, 962, 963,1147,1148,1149,1170,1171,1172,1174,
      1175,1176,
 igr2= 146, 147, 148, 150, 151, 152, 920, 921, 922, 924,
       925, 926,
 &end
#
#    0 AMB  25-3:1788     0 AMB  25-1:1788   3.50    (#   1788:25  Double Ambig)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 205, 206, 207, 209, 210, 211, 205, 206, 207, 209,
       210, 211,
 igr2= 146, 147, 148, 150, 151, 152,1098,1099,1100,1102,
      1103,1104,
 &end
#
#   50 GLU  HA            2 LEU  QD-         3.50    (#   1790:25  Unique         2.24, 4.65 A)
 &rst
  ixpk= 1790, nxpk= 25, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    2 LEU  HB-           2 LEU  QD-         5.50    (#   1791:25  Unique         2.38, 3.30 A)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  25,  26,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#   34 VAL  HN           34 VAL  HA          4.50    (#   1792:25  Unique         2.95, 2.96 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 562, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ALA  HN           51 ASN  HA          4.50    (#   1793:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 837, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 GLN  HN           51 ASN  HA          5.50    (#   1794:25  Unique         3.32, 3.43 A)
 &rst
  ixpk= 1794, nxpk= 25, iat= 866, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ASN  QB           51 ASN  HA          2.80    (#   1796:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 827, 828,
 &end
#
#   53 LEU  HN           52 ALA  HA          4.50    (#   1797:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1797, nxpk= 25, iat= 847, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HN           56 PHE  HA          4.50    (#   1798:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1798, nxpk= 25, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 SER  HA           12 VAL  HA          5.50    (#   1799:25  Unique         3.98, 4.12 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=1061, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ALA  HN           56 PHE  HA          4.50    (#   1800:25  Unique         3.23, 3.38 A)
 &rst
  ixpk= 1800, nxpk= 25, iat= 945, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 VAL  HN           56 PHE  HA          4.50    (#   1801:25  Unique         3.67, 3.68 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 914, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 LYS  HE-          56 PHE  HA          4.50    (#   1802:25  Unique         3.14, 3.78 A)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   61 LYS  HG-          58 GLU  HA          4.50    (#   1804:25  Unique         2.29, 2.99 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 978, 979,
 &end
#
#   61 LYS  HN           58 GLU  HA          5.50    (#   1805:25  Unique         3.66, 3.74 A)
 &rst
  ixpk= 1805, nxpk= 25, iat= 971, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLY  HA+          60 VAL  HA          4.50    (#   1808:25  Unique         3.40, 4.42 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1009,1010,
 &end
#
#    3 GLN  HN            3 GLN  HA          5.50    (#   1809:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1809, nxpk= 25, iat=  40,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 LEU  QD-           5 ARG  HA          5.50    (#   1814:25  Unique         4.14, 4.95 A)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 756, 757, 758,
 &end
#
#    6 ILE  QD1           6 ILE  HA          4.50    (#   1816:25  Unique         2.29, 3.26 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#   74 VAL  HA            6 ILE  HA          3.50    (#   1817:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 1817, nxpk= 25, iat=1166, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 GLU  HA            7 ILE  HA          3.50    (#   1818:25  Unique         2.37, 2.47 A)
 &rst
  ixpk= 1818, nxpk= 25, iat= 711, 123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1822     7 ILE  HA          4.50    (#   1822:25  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 131, 132, 734, 735,
 &end
#
#    7 ILE  HB            7 ILE  HA          4.50    (#   1824:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1824, nxpk= 25, iat= 125, 123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 VAL  HA           72 ILE  HA          2.80    (#   1825:25  Unique         2.31, 2.35 A)
 &rst
  ixpk= 1825, nxpk= 25, iat= 142,1136, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    4 TYR  HA           76 GLU  HA          2.80    (#   1826:25  Unique         2.02, 2.12 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=  59,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 ALA  HN           46 ALA  HA          4.50    (#   1827:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1827, nxpk= 25, iat= 762, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HN           17 PHE  HA          5.50    (#   1830:25  Unique         3.13, 3.31 A)
 &rst
  ixpk= 1830, nxpk= 25, iat= 327, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 SER  HN           17 PHE  HA          5.50    (#   1831:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=1014, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 GLN  HN           13 GLN  HA          3.50    (#   1833:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1833, nxpk= 25, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 GLN  HG-          13 GLN  HA          3.50    (#   1834:25  Unique         2.92, 3.31 A)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 222, 223,
 &end
#
#   13 GLN  HB2          13 GLN  HA          4.50    (#   1835:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1835, nxpk= 25, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 VAL  QG+          13 GLN  HA          4.50    (#   1836:25  Unique         4.76, 6.55 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 699, 700, 701, 703, 704, 705,
 &end
#
#   12 VAL  QG+          15 VAL  QG-         5.50    (#   1837:25  Unique         4.28, 7.35 A)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 205, 206, 207, 209, 210, 211,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   60 VAL  QG2           6 ILE  QG2         4.50    (#   1838:25  Unique         3.51, 5.65 A)
 &rst
  ixpk= 1838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 965, 966, 967,
 igr2= 108, 109, 110,
 &end
#
#   74 VAL  QG+           6 ILE  QG2         4.50    (#   1839:25  Unique         2.63, 5.54 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 108, 109, 110,
 &end
#
#   54 GLN  HN           53 LEU  HA          5.50    (#   1844:25  Unique         3.60, 3.62 A)
 &rst
  ixpk= 1844, nxpk= 25, iat= 866, 849, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ALA  HA           86 PHE  HA          3.50    (#   1845:25  Unique         2.93, 3.21 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 523,1356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 PHE  HN           86 PHE  HA          4.50    (#   1846:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=1354,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 PHE  HB3          86 PHE  HA          4.50    (#   1847:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=1359,1356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 HIS  HA           31 ALA  QB          5.50    (#   1848:25  Unique         2.11, 3.70 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 525, 526, 527,
 &end
#
#   86 PHE  HB3          31 ALA  HA          5.50    (#   1850:25  Unique         3.88, 4.23 A)
 &rst
  ixpk= 1850, nxpk= 25, iat=1359, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PHE  HZ           12 VAL  QG+         4.50    (#   1853:25  Unique         3.87, 5.53 A)
 &rst
  ixpk= 1853, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   17 PHE  QD           12 VAL  QG+         5.50    (#   1854:25  Unique         2.77, 5.39 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 270, 278,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   12 VAL  HN           12 VAL  QG+         4.50    (#   1855:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 1855, nxpk= 25, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#   10 GLY  HN           12 VAL  QG+         5.50    (#   1857:25  Unique         2.79, 4.37 A)
 &rst
  ixpk= 1857, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 205, 206, 207, 209, 210, 211,
 &end
#
#    6 ILE  HB            6 ILE  HG1+        3.50    (#   1858:25  Unique         2.36, 2.42 A)
 &rst
  ixpk= 1858, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 112, 113,
 &end
#
#    0 AMB  25-3:1859     0 AMB  25-1:1859   4.50    (#   1859:25  Double Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 104,  80,
 igr2= 112, 113, 112, 113,
 &end
#
#   65 PRO  HB-          65 PRO  HG-         3.50    (#   1860:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1032,1033,
 igr2=1029,1030,
 &end
#
#   34 VAL  QG+          88 ILE  HG1-        4.50    (#   1861:25  Unique         2.63, 4.66 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2=1395,1396,
 &end
#
#   88 ILE  HA           88 ILE  HG1-        4.50    (#   1862:25  Unique         2.66, 2.83 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1395,1396,
 &end
#
#    0 AMB  25-3:1864    17 PHE  HB-         4.50    (#   1864:25  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 266, 267,
 &end
#
#   89 VAL  HN           89 VAL  QG+         5.50    (#   1865:25  Unique         2.37, 3.78 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   33 TRP  HB-          89 VAL  QG+         4.50    (#   1867:25  Unique         2.23, 4.92 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 542, 543,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HD+          89 VAL  QG+         4.50    (#   1869:25  Unique         2.98, 5.36 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 588, 589,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   26 ASP  HB3          23 MET  HA          4.50    (#   1870:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 1870, nxpk= 25, iat= 427, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PRO  HD-          48 GLY  HA-         4.50    (#   1871:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   23 MET  HA           23 MET  HB3         4.50    (#   1873:25  Unique         2.49, 2.51 A)
 &rst
  ixpk= 1873, nxpk= 25, iat= 382, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 PRO  HA           65 PRO  HB-         4.50    (#   1874:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1032,1033,
 &end
#
#    3 GLN  HA            3 GLN  HG+         4.50    (#   1875:25  Unique         2.44, 2.98 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  47,  48,
 &end
#
#   45 LEU  QD+           3 GLN  HG+         4.50    (#   1878:25  Unique         2.41, 4.46 A)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  47,  48,
 &end
#
#   48 GLY  HN           47 GLU  QB          4.50    (#   1880:25  Unique         2.98, 3.79 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 776, 777,
 &end
#
#    1 MET  HA            1 MET  HG-         4.50    (#   1882:25  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#   41 ARG  HN           41 ARG  HG+         4.50    (#   1884:25  Unique         2.53, 3.39 A)
 &rst
  ixpk= 1884, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   49 PRO  HD-          30 LEU  QD+         4.50    (#   1887:25  Unique         2.34, 4.85 A)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 795, 796,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   56 PHE  QD           30 LEU  QD+         4.50    (#   1888:25  Unique         2.16, 5.59 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 902, 910,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   30 LEU  HN           30 LEU  QD+         4.50    (#   1889:25  Unique         2.30, 4.08 A)
 &rst
  ixpk= 1889, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   10 GLY  HA-          69 VAL  HA          5.50    (#   1890:25  Unique         2.27, 3.36 A)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 170, 171,
 &end
#
#   10 GLY  HA+          69 VAL  HA          5.50    (#   1891:25  Unique         2.27, 3.36 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 170, 171,
 &end
#
#   69 VAL  HA            8 VAL  QG+         4.50    (#   1894:25  Unique         3.28, 5.52 A)
 &rst
  ixpk= 1894, nxpk= 25, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 146, 147, 148, 150, 151, 152,
 &end
#
#   21 VAL  HN           17 PHE  HA          4.50    (#   1895:25  Unique         3.80, 3.89 A)
 &rst
  ixpk= 1895, nxpk= 25, iat= 347, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ARG  HB-          18 ARG  HA          4.50    (#   1896:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1896, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 286, 287,
 &end
#
#   21 VAL  HB           18 ARG  HA          4.50    (#   1897:25  Unique         2.56, 2.69 A)
 &rst
  ixpk= 1897, nxpk= 25, iat= 351, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PHE  QE           42 VAL  QG+         4.50    (#   1899:25  Unique         2.49, 5.77 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 272, 276,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   17 PHE  HZ           42 VAL  QG+         5.50    (#   1900:25  Unique         4.91, 6.23 A)
 &rst
  ixpk= 1900, nxpk= 25, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   37 ARG  HN           42 VAL  QG+         5.50    (#   1901:25  Unique         4.27, 5.68 A)
 &rst
  ixpk= 1901, nxpk= 25, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   35 LYS  HN           42 VAL  QG+         4.50    (#   1902:25  Unique         3.18, 5.22 A)
 &rst
  ixpk= 1902, nxpk= 25, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1903     0 AMB  25-1:1903   3.50    (#   1903:25  Double Ambig)
 &rst
  ixpk= 1903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 272, 276,1014,
 igr2=1009,1010,1009,1010,
 &end
#
#   11 ARG  HD+          15 VAL  QG+         4.50    (#   1904:25  Unique         2.30, 4.74 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 185, 186,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   12 VAL  HA           15 VAL  QG+         4.50    (#   1905:25  Unique         2.42, 4.34 A)
 &rst
  ixpk= 1905, nxpk= 25, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    4 TYR  QD           74 VAL  QG-         4.50    (#   1906:25  Unique         3.86, 6.27 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   73 SER  HA           74 VAL  QG-         4.50    (#   1907:25  Unique         3.23, 5.42 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   89 VAL  HB           89 VAL  QG+         2.80    (#   1908:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=1408,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   76 GLU  QG           74 VAL  QG+         4.50    (#   1909:25  Unique         2.40, 6.85 A)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1201,1202,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   74 VAL  QG+           6 ILE  QD1         5.50    (#   1911:25  Unique         2.18, 3.53 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 115, 116, 117,
 &end
#
#   52 ALA  QB           49 PRO  HD+         4.50    (#   1912:25  Unique         2.15, 3.83 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 841, 842, 843,
 igr2= 795, 796,
 &end
#
#    6 ILE  QD1           4 TYR  HB3         4.50    (#   1915:25  Unique         2.46, 4.45 A)
 &rst
  ixpk= 1915, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 116, 117,
 &end
#
#   26 ASP  HN           26 ASP  HB3         3.50    (#   1916:25  Unique         2.61, 2.67 A)
 &rst
  ixpk= 1916, nxpk= 25, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1918     2 LEU  HG          3.50    (#   1918:25  Single Ambig)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  30,  31,  32,  34,  35,  36,  30,  31,  32,  34,
        35,  36,
 &end
#
#   49 PRO  HB+          52 ALA  QB          4.50    (#   1921:25  Unique         2.84, 4.92 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 801, 802,
 igr2= 841, 842, 843,
 &end
#
#   28 ARG  HD-          52 ALA  QB          4.50    (#   1922:25  Unique         2.47, 4.72 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 466, 467,
 igr2= 841, 842, 843,
 &end
#
#    1 MET  HG-           1 MET  HA          4.50    (#   1923:25  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    0 AMB  25-3:1926    44 ILE  QD1         2.80    (#   1926:25  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 106, 728,
 igr2= 737, 738, 739,
 &end
#
#    5 ARG  HD+           7 ILE  QD1         4.50    (#   1927:25  Unique         2.35, 4.58 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,
 igr2= 134, 135, 136,
 &end
#
#   37 ARG  HD-           7 ILE  QD1         4.50    (#   1928:25  Unique         2.36, 4.33 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 624, 625,
 igr2= 134, 135, 136,
 &end
#
#   76 GLU  HA            4 TYR  HA          3.50    (#   1929:25  Unique         2.02, 2.12 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=1196,  59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  HA           74 VAL  QG+         4.50    (#   1931:25  Unique         3.54, 4.81 A)
 &rst
  ixpk= 1931, nxpk= 25, iat= 104,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   33 TRP  HA           89 VAL  QG-         5.50    (#   1933:25  Unique         4.21, 6.55 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   87 SER  HB3          89 VAL  QG-         5.50    (#   1934:25  Unique         3.37, 6.46 A)
 &rst
  ixpk= 1934, nxpk= 25, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#    0 AMB  25-3:1935     7 ILE  HA          3.50    (#   1935:25  Single Ambig)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 134, 135, 136, 127, 128, 129,
 &end
#
#    6 ILE  QG2           6 ILE  HA          3.50    (#   1936:25  Unique         2.52, 3.13 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 108, 109, 110,
 &end
#
#   88 ILE  HG1+         88 ILE  HB          4.50    (#   1937:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1395,1396,
 &end
#
#    1 MET  HA            1 MET  HB+         4.50    (#   1940:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=   8,   9,
 &end
#
#   80 LEU  QD+           1 MET  HB+         4.50    (#   1942:25  Unique         2.29, 4.98 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1264,1265,1266,1268,1269,1270,
 igr2=   8,   9,
 &end
#
#   37 ARG  HB2          37 ARG  HG+         4.50    (#   1943:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1943, nxpk= 25, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 621, 622,
 &end
#
#   30 LEU  QD-          53 LEU  HG          4.50    (#   1945:25  Unique         2.44, 4.84 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512, 513, 515, 516, 517,
 &end
#
#   22 GLN  HN           19 TYR  HA          4.50    (#   1946:25  Unique         3.18, 3.26 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 363, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 SER  HN           72 ILE  HA          2.80    (#   1947:25  Unique         2.27, 2.28 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=1153,1136, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 GLU  HN           42 VAL  QG-         3.50    (#   1948:25  Unique         2.45, 3.95 A)
 &rst
  ixpk= 1948, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:1949    42 VAL  QG-         4.50    (#   1949:25  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 578, 140,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   27 LYS  HE+          24 GLU  HA          4.50    (#   1950:25  Unique         2.70, 4.03 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 447, 448,
 &end
#
#   44 ILE  HN           43 GLU  HA          2.80    (#   1951:25  Unique         2.11, 2.15 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 724, 711, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 GLY  HN           47 GLU  HA          2.80    (#   1952:25  Unique         2.14, 2.25 A)
 &rst
  ixpk= 1952, nxpk= 25, iat= 787, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 GLN  HN           22 GLN  HA          4.50    (#   1953:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1953, nxpk= 25, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 PHE  HB+          20 PHE  HA          3.50    (#   1954:25  Unique         2.29, 2.68 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 331, 332,
 &end
#
#   53 LEU  HG           53 LEU  HA          4.50    (#   1955:25  Unique         2.66, 3.05 A)
 &rst
  ixpk= 1955, nxpk= 25, iat= 854, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  HN           10 GLY  HA-         4.50    (#   1957:25  Unique         2.43, 2.96 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 170, 171,
 &end
#
#   70 THR  HN           10 GLY  HA+         3.50    (#   1958:25  Unique         2.43, 2.96 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#   65 PRO  HG+          65 PRO  HB-         3.50    (#   1959:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1029,1030,
 igr2=1032,1033,
 &end
#
#   32 GLY  HN           32 GLY  HA-         2.80    (#   1960:25  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1960, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 533, 534,
 &end
#
#   47 GLU  HA           80 LEU  QD-         4.50    (#   1961:25  Unique         3.58, 8.82 A)
 &rst
  ixpk= 1961, nxpk= 25, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   76 GLU  HN           76 GLU  QB          4.50    (#   1965:25  Unique         2.59, 3.51 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=1194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1198,1199,
 &end
#
#   41 ARG  HN           41 ARG  HG-         4.50    (#   1966:25  Unique         2.53, 3.39 A)
 &rst
  ixpk= 1966, nxpk= 25, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   48 GLY  HN           48 GLY  HA-         4.50    (#   1969:25  Unique         2.75, 2.83 A)
 &rst
  ixpk= 1969, nxpk= 25, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 789, 790,
 &end
#
#   27 LYS  QD           28 ARG  HD+         3.50    (#   1970:25  Unique         3.60, 5.21 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 444, 445,
 igr2= 466, 467,
 &end
#
#   43 GLU  HB+          37 ARG  HD+         4.50    (#   1971:25  Unique         2.00, 3.49 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 624, 625,
 &end
#
#    7 ILE  QD1           5 ARG  HD+         4.50    (#   1972:25  Unique         2.35, 4.58 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 134, 135, 136,
 igr2=  88,  89,
 &end
#
#   31 ALA  HN           30 LEU  HB3         4.50    (#   1973:25  Unique         2.25, 2.44 A)
 &rst
  ixpk= 1973, nxpk= 25, iat= 521, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 LYS  HD-          35 LYS  HE+         4.50    (#   1978:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 588, 589,
 igr2= 591, 592,
 &end
#
#   89 VAL  QG-          35 LYS  HE-         5.50    (#   1979:25  Unique         2.67, 6.60 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1410,1411,1412,1414,1415,1416,
 igr2= 591, 592,
 &end
#
#   43 GLU  HG+          35 LYS  HE+         4.50    (#   1980:25  Unique         2.20, 4.93 A)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 716, 717,
 igr2= 591, 592,
 &end
#
#   23 MET  HB3          23 MET  HG-         3.50    (#   1982:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 1982, nxpk= 25, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#    0 AMB  25-3:1986    30 LEU  HA          4.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 790, 789, 790,
 &end
#
#    0 AMB  25-3:1988    43 GLU  HA          5.50    (#   1988:25  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 734, 735, 699, 700, 701, 703, 704, 705,
 &end
#
#   73 SER  HB+           7 ILE  QG2         5.50    (#   1989:25  Unique         4.46, 5.86 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1157,1158,
 igr2= 127, 128, 129,
 &end
#
#   54 GLN  HB2          51 ASN  HA          5.50    (#   1991:25  Unique         2.32, 2.43 A)
 &rst
  ixpk= 1991, nxpk= 25, iat= 870, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLN  HE2+         87 SER  HA          4.50    (#   1992:25  Unique         7.82, 8.40 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,1376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 375, 376,
 &end
#
#   35 LYS  HD-          89 VAL  QG-         5.50    (#   1993:25  Unique         2.98, 5.36 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 588, 589,
 igr2=1410,1411,1412,1414,1415,1416,
 &end
#
#   35 LYS  HG+          34 VAL  HA          5.50    (#   1996:25  Unique         3.45, 4.77 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 585, 586,
 &end
#
#   66 PHE  HB-          15 VAL  QG+         4.50    (#   1997:25  Unique         2.65, 4.60 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1043,1044,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   15 VAL  HN           15 VAL  QG+         4.50    (#   1999:25  Unique         2.41, 3.57 A)
 &rst
  ixpk= 1999, nxpk= 25, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#   18 ARG  HD-          34 VAL  QG+         5.50    (#   2000:25  Unique         3.20, 4.91 A)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 292, 293,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   22 GLN  HN           34 VAL  QG+         5.50    (#   2001:25  Unique         3.33, 5.11 A)
 &rst
  ixpk= 2001, nxpk= 25, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 568, 569, 570, 572, 573, 574,
 &end
#
#   42 VAL  HN           42 VAL  QG-         4.50    (#   2003:25  Unique         3.12, 4.30 A)
 &rst
  ixpk= 2003, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#    0 AMB  25-3:2004    42 VAL  QG-         5.50    (#   2004:25  Single Ambig)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 961, 962, 963, 127, 128, 129, 245, 246, 247, 249,
       250, 251,
 igr2= 699, 700, 701, 703, 704, 705,
 &end
#
#   28 ARG  HB3          30 LEU  QD-         4.50    (#   2007:25  Unique         2.14, 3.77 A)
 &rst
  ixpk= 2007, nxpk= 25, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   53 LEU  HN           30 LEU  QD-         4.50    (#   2008:25  Unique         3.34, 5.24 A)
 &rst
  ixpk= 2008, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#   51 ASN  HN           50 GLU  HA          5.50    (#   2010:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 2010, nxpk= 25, iat= 823, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PHE  HB+          17 PHE  HA          5.50    (#   2012:25  Unique         2.52, 2.78 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 266, 267,
 &end
#
#   35 LYS  HN           35 LYS  HG+         4.50    (#   2013:25  Unique         2.47, 3.08 A)
 &rst
  ixpk= 2013, nxpk= 25, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   53 LEU  HN           53 LEU  QD+         5.50    (#   2016:25  Unique         3.46, 4.52 A)
 &rst
  ixpk= 2016, nxpk= 25, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    0 AMB  25-3:2018     0 AMB  25-1:2018   5.50    (#   2018:25  Double Ambig)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 934, 935, 870,
 igr2= 887, 888, 887, 888,
 &end
#
#   79 SER  HN           79 SER  HB2         4.50    (#   2021:25  Unique         2.52, 2.65 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 SER  HN           79 SER  HB3         5.50    (#   2022:25  Unique         3.44, 3.50 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2024     0 AMB  25-1:2024   5.50    (#   2024:25  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 795, 796, 849,
 igr2= 511, 512, 513, 515, 516, 517, 511, 512, 513, 515,
       516, 517,
 &end
#
#   52 ALA  QB           30 LEU  QD+         4.50    (#   2025:25  Unique         2.33, 4.18 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 841, 842, 843,
 igr2= 511, 512, 513, 515, 516, 517,
 &end
#
#    4 TYR  QD           53 LEU  QD-         4.50    (#   2032:25  Unique         3.02, 4.71 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#    3 GLN  HB2          77 SER  HB+         4.50    (#   2034:25  Unique         2.91, 4.31 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1213,1214,
 &end
#
#   79 SER  HN           77 SER  HB+         5.50    (#   2035:25  Unique         2.42, 3.01 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1213,1214,
 &end
#
#   52 ALA  QB           49 PRO  HG-         5.50    (#   2036:25  Unique         2.16, 3.59 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 841, 842, 843,
 igr2= 798, 799,
 &end
#
#    6 ILE  HB            6 ILE  HG1-        5.50    (#   2037:25  Unique         2.36, 2.42 A)
 &rst
  ixpk= 2037, nxpk= 25, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 112, 113,
 &end
#
#   45 LEU  HB+          45 LEU  HG          5.50    (#   2038:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 747, 748,
 &end
#
#   45 LEU  QD-           5 ARG  HG+         5.50    (#   2039:25  Unique         2.65, 5.36 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 752, 753, 754, 756, 757, 758,
 igr2=  85,  86,
 &end
#
#   19 TYR  HA           22 GLN  HB3         5.50    (#   2041:25  Unique         2.30, 2.37 A)
 &rst
  ixpk= 2041, nxpk= 25, iat= 308, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 GLN  HE2-         13 GLN  HG+         4.50    (#   2043:25  Unique         2.29, 3.37 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 222, 223,
 &end
#
#   37 ARG  HG+          37 ARG  HB2         3.50    (#   2044:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 621, 622,
 &end
#
#   36 ASN  HA           36 ASN  HB2         5.50    (#   2046:25  Unique         2.29, 2.34 A)
 &rst
  ixpk= 2046, nxpk= 25, iat= 602, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 PHE  QD           66 PHE  HB-         5.50    (#   2047:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1047,1055,
 igr2=1043,1044,
 &end
#
#    4 TYR  HA            4 TYR  HB2         5.50    (#   2048:25  Unique         2.30, 2.42 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=  59,  61, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 TYR  QD            4 TYR  HB2         4.50    (#   2049:25  Unique         2.46, 3.10 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  65,  74,
 &end
#
#    4 TYR  QD            4 TYR  HB3         5.50    (#   2050:25  Unique         2.31, 3.09 A)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  65,  74,
 &end
#
#   54 GLN  HN           53 LEU  HB2         5.50    (#   2051:25  Unique         2.52, 2.63 A)
 &rst
  ixpk= 2051, nxpk= 25, iat= 866, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ARG  HA           18 ARG  HD-         5.50    (#   2052:25  Unique         4.30, 4.54 A)
 &rst
  ixpk= 2052, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 292, 293,
 &end
#
#   45 LEU  HN           45 LEU  HB-         4.50    (#   2053:25  Unique         2.97, 3.07 A)
 &rst
  ixpk= 2053, nxpk= 25, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#   71 ASP  HN           71 ASP  HB-         5.50    (#   2062:25  Unique         2.86, 3.24 A)
 &rst
  ixpk= 2062, nxpk= 25, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#   72 ILE  HN           71 ASP  HB-         5.50    (#   2063:25  Unique         3.75, 3.93 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#   72 ILE  HN           71 ASP  HB+         5.50    (#   2064:25  Unique         3.75, 3.93 A)
 &rst
  ixpk= 2064, nxpk= 25, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1126,1127,
 &end
#
#   50 GLU  QB           50 GLU  HG-         2.80    (#   2066:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 812, 813,
 igr2= 815, 816,
 &end
#
#   58 GLU  QB           58 GLU  HG+         2.80    (#   2069:25  Unique         2.29, 2.67 A)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 934, 935,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-3:2070     0 AMB  25-1:2070   2.80    (#   2070:25  Double Ambig)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 934, 935, 713, 714,
 igr2= 937, 938, 716, 717,
 &end
#
#    5 ARG  HB3          75 THR  HB          5.50    (#   2072:25  Unique         2.15, 2.29 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  83,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2076    67 SER  QB          4.50    (#   2076:25  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 igr2=1063,1064,
 &end
#
#   33 TRP  HB+          87 SER  HB3         5.50    (#   2077:25  Unique         4.15, 4.92 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,1379, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 542, 543,
 &end
#
#    8 VAL  QG+          69 VAL  HA          4.50    (#   2078:25  Unique         3.28, 5.52 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 146, 147, 148, 150, 151, 152,
 &end
#
#   65 PRO  HD-          64 SER  HB2         4.50    (#   2079:25  Unique         2.16, 2.86 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1026,1027,
 &end
#
#   60 VAL  QG2          57 VAL  QG+         4.50    (#   2082:25  Unique         3.76, 6.51 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 965, 966, 967,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:2084    80 LEU  QD-         5.50    (#   2084:25  Single Ambig)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1291,1292,1213,1214,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   88 ILE  HB           88 ILE  HA          4.50    (#   2085:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=1389,1387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2089     0 AMB  25-1:2089   4.50    (#   2089:25  Double Ambig)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 412, 743,
 igr2= 353, 354, 355, 357, 358, 359, 353, 354, 355, 357,
       358, 359,
 &end
#
#   62 ASN  HN           61 LYS  HA          4.50    (#   2091:25  Unique         3.45, 3.50 A)
 &rst
  ixpk= 2091, nxpk= 25, iat= 993, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 ARG  HB-          15 VAL  QG+         4.50    (#   2092:25  Unique         3.98, 5.59 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 179, 180,
 igr2= 245, 246, 247, 249, 250, 251,
 &end
#
#    0 AMB  25-3:2094     6 ILE  QG2         4.50    (#   2094:25  Single Ambig)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 961, 962, 963,1147,1148,1149,
 igr2= 108, 109, 110,
 &end
#
#   25 ALA  QB           25 ALA  HA          2.80    (#   2097:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#   22 GLN  QG           25 ALA  QB          4.50    (#   2098:25  Unique         3.67, 5.59 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371,
 igr2= 416, 417, 418,
 &end
#
#    6 ILE  HG1-          5 ARG  HA          5.50    (#   2100:25  Unique         3.55, 4.50 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 112, 113,
 &end
#
#   53 LEU  QD-          47 GLU  HA          4.50    (#   2101:25  Unique         2.65, 4.30 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 856, 857, 858, 860, 861, 862,
 &end
#
#    3 GLN  HG+           3 GLN  HA          4.50    (#   2102:25  Unique         2.44, 2.98 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    3 GLN  HG-           3 GLN  HB2         4.50    (#   2104:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  47,  48,
 &end
#
#    4 TYR  QD            2 LEU  QD+         4.50    (#   2105:25  Unique         3.70, 8.16 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  74,
 igr2=  30,  31,  32,  34,  35,  36,
 &end
#
#    4 TYR  HN           53 LEU  QD+         4.50    (#   2106:25  Unique         2.78, 3.98 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 856, 857, 858, 860, 861, 862,
 &end
#
#   30 LEU  HN           25 ALA  QB          4.50    (#   2108:25  Unique         3.44, 4.43 A)
 &rst
  ixpk= 2108, nxpk= 25, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 416, 417, 418,
 &end
#
#   72 ILE  QG2          61 LYS  QD          4.50    (#   2112:25  Unique         2.80, 5.06 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1140,1141,1142,
 igr2= 981, 982,
 &end
#
#    0 AMB  25-3:2113    44 ILE  QD1         4.50    (#   2113:25  Single Ambig)
 &rst
  ixpk= 2113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 566, 716, 717,
 igr2= 737, 738, 739,
 &end
#
#   44 ILE  HA           44 ILE  QD1         4.50    (#   2114:25  Unique         3.97, 4.77 A)
 &rst
  ixpk= 2114, nxpk= 25, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-3:2116     0 AMB  25-1:2116   4.50    (#   2116:25  Double Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1098,1099,1100,1102,1103,1104,1098,1099,1100,1102,
      1103,1104,
 igr2= 170, 171, 170, 171,
 &end
#
#    0 AMB  25-3:2118     0 AMB  25-1:2118   5.50    (#   2118:25  Double Ambig)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 699, 700, 701, 703, 704, 705, 699, 700, 701, 703,
       704, 705,
 igr2= 222, 223, 222, 223,
 &end
#
#   47 GLU  HA            3 GLN  HA          3.50    (#   2119:25  Unique         2.10, 2.26 A)
 &rst
  ixpk= 2119, nxpk= 25, iat= 774,  42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ARG  HA           45 LEU  HB+         4.50    (#   2120:25  Unique         3.50, 4.19 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 747, 748,
 &end
#
#    9 ASP  HA           41 ARG  HG+         4.50    (#   2125:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 2125, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   42 VAL  HN           41 ARG  HG-         4.50    (#   2126:25  Unique         3.28, 3.91 A)
 &rst
  ixpk= 2126, nxpk= 25, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   18 ARG  HA           21 VAL  QG-         4.50    (#   2127:25  Unique         3.38, 4.54 A)
 &rst
  ixpk= 2127, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:2128    21 VAL  QG-         5.50    (#   2128:25  Single Ambig)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 902, 910,1362,1370,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   37 ARG  HD+           7 ILE  QD1         4.50    (#   2129:25  Unique         2.36, 4.33 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 624, 625,
 igr2= 134, 135, 136,
 &end
#
#   60 VAL  QG1          59 ALA  QB          5.50    (#   2130:25  Unique         6.58, 7.63 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 961, 962, 963,
 igr2= 949, 950, 951,
 &end
#
#   37 ARG  HD+          37 ARG  HG+         3.50    (#   2134:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   37 ARG  HA           37 ARG  HG+         3.50    (#   2135:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2135, nxpk= 25, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   37 ARG  HA           37 ARG  HG-         4.50    (#   2136:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2136, nxpk= 25, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 621, 622,
 &end
#
#   42 VAL  HA           37 ARG  HG-         3.50    (#   2137:25  Unique         3.39, 4.79 A)
 &rst
  ixpk= 2137, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   37 ARG  HD-          37 ARG  HG+         4.50    (#   2138:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 624, 625,
 igr2= 621, 622,
 &end
#
#   23 MET  HN           23 MET  HB3         4.50    (#   2143:25  Unique         3.64, 3.65 A)
 &rst
  ixpk= 2143, nxpk= 25, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ARG  HN            4 TYR  HB3         4.50    (#   2144:25  Unique         2.60, 3.54 A)
 &rst
  ixpk= 2144, nxpk= 25, iat=  78,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 SER  HA           58 GLU  HG+         4.50    (#   2145:25  Unique         2.86, 3.40 A)
 &rst
  ixpk= 2145, nxpk= 25, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   12 VAL  QG-          42 VAL  HB          4.50    (#   2146:25  Unique         2.68, 4.40 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 205, 206, 207, 209, 210, 211,
 &end
#
#   13 GLN  HA           13 GLN  HG-         4.50    (#   2147:25  Unique         2.92, 3.31 A)
 &rst
  ixpk= 2147, nxpk= 25, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 222, 223,
 &end
#
#   35 LYS  HB3          35 LYS  HG-         4.50    (#   2148:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2148, nxpk= 25, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   35 LYS  HE-          35 LYS  HG+         4.50    (#   2149:25  Unique         2.25, 3.09 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 591, 592,
 igr2= 585, 586,
 &end
#
#   31 ALA  HA           86 PHE  HB2         5.50    (#   2152:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2152, nxpk= 25, iat= 523,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 PHE  HA           86 PHE  HB2         5.50    (#   2153:25  Unique         2.41, 2.48 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=1356,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLN  QG           86 PHE  HB3         5.50    (#   2154:25  Unique         3.33, 4.55 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 370, 371,
 &end
#
#   25 ALA  QB           86 PHE  HB3         5.50    (#   2155:25  Unique         2.76, 3.48 A)
 &rst
  ixpk= 2155, nxpk= 25, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   86 PHE  HN           86 PHE  HB2         5.50    (#   2156:25  Unique         2.77, 3.03 A)
 &rst
  ixpk= 2156, nxpk= 25, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS  HE-          56 PHE  HB2         5.50    (#   2157:25  Unique         3.29, 4.01 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1, 898, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 447, 448,
 &end
#
#   68 LYS  HG-          68 LYS  HB+         4.50    (#   2158:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#   68 LYS  HG+          68 LYS  HB+         5.50    (#   2159:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1078,
 igr2=1074,1075,
 &end
#
#    0 AMB  25-3:2160     0 AMB  25-1:2160   5.50    (#   2160:25  Double Ambig)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 627, 227, 228,
 igr2= 619, 222, 223,
 &end
#
#   80 LEU  HA           80 LEU  QD+         5.50    (#   2161:25  Unique         2.17, 4.08 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   34 VAL  QG+          21 VAL  QG-         4.50    (#   2162:25  Unique         2.39, 4.93 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 568, 569, 570, 572, 573, 574,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#    0 AMB  25-3:2163     0 AMB  25-1:2163   4.50    (#   2163:25  Double Ambig)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 981, 982, 112, 113,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#   60 VAL  HB           57 VAL  QG+         5.50    (#   2164:25  Unique         2.90, 4.83 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 920, 921, 922, 924, 925, 926,
 &end
#
#    0 AMB  25-3:2165     0 AMB  25-1:2165   4.50    (#   2165:25  Double Ambig)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 934, 935, 870,
 igr2= 920, 921, 922, 924, 925, 926, 920, 921, 922, 924,
       925, 926,
 &end
#
#    0 AMB  25-3:2166    80 LEU  QD-         5.50    (#   2166:25  Single Ambig)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1291,1292,   6,
 igr2=1264,1265,1266,1268,1269,1270,
 &end
#
#   22 GLN  HB2          88 ILE  QD1         4.50    (#   2167:25  Unique         2.69, 3.69 A)
 &rst
  ixpk= 2167, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  HB3          88 ILE  QD1         5.50    (#   2168:25  Unique         4.02, 5.18 A)
 &rst
  ixpk= 2168, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1398,1399,1400,
 &end
#
#   19 TYR  HB2          88 ILE  QD1         5.50    (#   2169:25  Unique         3.22, 4.55 A)
 &rst
  ixpk= 2169, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1398,1399,1400,
 &end
#
#   53 LEU  HB2          53 LEU  HA          4.50    (#   2171:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2171, nxpk= 25, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HA           23 MET  HG-         5.50    (#   2172:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 2172, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#   23 MET  HN           23 MET  HG-         5.50    (#   2173:25  Unique         2.45, 2.96 A)
 &rst
  ixpk= 2173, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 387, 388,
 &end
#
#   23 MET  HA           23 MET  QE          5.50    (#   2175:25  Unique         5.13, 5.72 A)
 &rst
  ixpk= 2175, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 391, 392, 393,
 &end
#
#   36 ASN  HN           18 ARG  HD+         5.50    (#   2178:25  Unique         2.68, 3.20 A)
 &rst
  ixpk= 2178, nxpk= 25, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 292, 293,
 &end
#
#   18 ARG  HB+          18 ARG  HD+         5.50    (#   2179:25  Unique         2.59, 3.37 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 286, 287,
 igr2= 292, 293,
 &end
#
#   18 ARG  HB+          18 ARG  HA          4.50    (#   2180:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 286, 287,
 &end
#
#   88 ILE  QG2          18 ARG  HB+         5.50    (#   2181:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1391,1392,1393,
 igr2= 286, 287,
 &end
#
#   88 ILE  QG2          18 ARG  HB-         4.50    (#   2182:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1391,1392,1393,
 igr2= 286, 287,
 &end
#
#   17 PHE  HA           20 PHE  HB+         4.50    (#   2183:25  Unique         2.24, 2.94 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 331, 332,
 &end
#
#   66 PHE  QD           66 PHE  HB+         5.50    (#   2185:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1047,1055,
 igr2=1043,1044,
 &end
#
#   86 PHE  HE           21 VAL  QG+         2.80    (#   2190:25  Unique         2.70, 5.73 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1364,1368,
 igr2= 353, 354, 355, 357, 358, 359,
 &end
#
#   86 PHE  QE           25 ALA  QB          3.50    (#   2191:25  Unique         3.41, 4.46 A)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1364,1368,
 igr2= 416, 417, 418,
 &end
#
#   57 VAL  HA           60 VAL  QG1         5.50    (#   2192:25  Unique         3.79, 4.48 A)
 &rst
  ixpk= 2192, nxpk= 25, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#    7 ILE  HN            6 ILE  HA          2.80    (#   2193:25  Unique         2.23, 2.26 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 121, 104, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
# 1451 atoms read from pdb file sa_10.pdb.
# 2 LEU PHI:  (1 MET C)-(2 LEU N)-(2 LEU CA)-(2 LEU C) -159.0 -119.0
 &rst     iat =    18,    20,    22,    37,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	  rk2 =   50.0, rk3 =  50.0,				&end

# 3 GLN PHI:  (2 LEU C)-(3 GLN N)-(3 GLN CA)-(3 GLN C) -159.0 -99.0
 &rst     iat =    37,    39,    41,    54,
	  r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
	&end

# 4 TYR PHI:  (3 GLN C)-(4 TYR N)-(4 TYR CA)-(4 TYR C) -140.0 -80.0
 &rst     iat =    54,    56,    58,    75,
	  r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
	&end

# 5 ARG PHI:  (4 TYR C)-(5 ARG N)-(5 ARG CA)-(5 ARG C) -139.0 -89.0
 &rst     iat =    75,    77,    79,    99,
	  r1 = -140.0, r2 = -139.0, r3 = -89.0, r4 = -88.0,
	&end

# 6 ILE PHI:  (5 ARG C)-(6 ILE N)-(6 ILE CA)-(6 ILE C) -130.0 -90.0
 &rst     iat =    99,   101,   103,   118,
	  r1 = -131.0, r2 = -130.0, r3 = -90.0, r4 = -89.0,
	&end

# 7 ILE PHI:  (6 ILE C)-(7 ILE N)-(7 ILE CA)-(7 ILE C) -133.0 -93.0
 &rst     iat =   118,   120,   122,   137,
	  r1 = -134.0, r2 = -133.0, r3 = -93.0, r4 = -92.0,
	&end

# 8 VAL PHI:  (7 ILE C)-(8 VAL N)-(8 VAL CA)-(8 VAL C) -136.0 -86.0
 &rst     iat =   137,   139,   141,   153,
	  r1 = -137.0, r2 = -136.0, r3 = -86.0, r4 = -85.0,
	&end

# 9 ASP PHI:  (8 VAL C)-(9 ASP N)-(9 ASP CA)-(9 ASP C) -179.0 -99.0
 &rst     iat =   153,   155,   157,   165,
	  r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
	&end

# 13 GLN PHI:  (12 VAL C)-(13 GLN N)-(13 GLN CA)-(13 GLN C) -159.0 -119.0
 &rst     iat =   212,   214,   216,   229,
	  r1 = -160.0, r2 = -159.0, r3 = -119.0, r4 = -118.0,
	&end

# 16 GLY PHI:  (15 VAL C)-(16 GLY N)-(16 GLY CA)-(16 GLY C)   0.0 140.0
 &rst     iat =   252,   254,   256,   259,
	  r1 =  -1.0, r2 =   0.0, r3 = 140.0, r4 = 141.0,
	&end

# 17 PHE PHI:  (16 GLY C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -104.0 -24.0
 &rst     iat =   259,   261,   263,   279,
	  r1 = -105.0, r2 = -104.0, r3 = -24.0, r4 = -23.0,
	&end

# 18 ARG PHI:  (17 PHE C)-(18 ARG N)-(18 ARG CA)-(18 ARG C) -98.0 -38.0
 &rst     iat =   279,   281,   283,   303,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end

# 19 TYR PHI:  (18 ARG C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -98.0 -38.0
 &rst     iat =   303,   305,   307,   324,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end

# 20 PHE PHI:  (19 TYR C)-(20 PHE N)-(20 PHE CA)-(20 PHE C) -97.0 -37.0
 &rst     iat =   324,   326,   328,   344,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 21 VAL PHI:  (20 PHE C)-(21 VAL N)-(21 VAL CA)-(21 VAL C) -105.0 -25.0
 &rst     iat =   344,   346,   348,   360,
	  r1 = -106.0, r2 = -105.0, r3 = -25.0, r4 = -24.0,
	&end

# 24 GLU PHI:  (23 MET C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -99.0 -39.0
 &rst     iat =   394,   396,   398,   409,
	  r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
	&end

# 25 ALA PHI:  (24 GLU C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -97.0 -17.0
 &rst     iat =   409,   411,   413,   419,
	  r1 = -98.0, r2 = -97.0, r3 = -17.0, r4 = -16.0,
	&end

# 26 ASP PHI:  (25 ALA C)-(26 ASP N)-(26 ASP CA)-(26 ASP C) -97.0 -37.0
 &rst     iat =   419,   421,   423,   431,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 27 LYS PHI:  (26 ASP C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -98.0 -38.0
 &rst     iat =   431,   433,   435,   453,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end

# 31 ALA PHI:  (30 LEU C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -140.0 -100.0
 &rst     iat =   518,   520,   522,   528,
	  r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
	&end

# 33 TRP PHI:  (32 GLY C)-(33 TRP N)-(33 TRP CA)-(33 TRP C) -146.0 -66.0
 &rst     iat =   535,   537,   539,   559,
	  r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
	&end

# 34 VAL PHI:  (33 TRP C)-(34 VAL N)-(34 VAL CA)-(34 VAL C) -164.0 -84.0
 &rst     iat =   559,   561,   563,   575,
	  r1 = -165.0, r2 = -164.0, r3 = -84.0, r4 = -83.0,
	&end

# 35 LYS PHI:  (34 VAL C)-(35 LYS N)-(35 LYS CA)-(35 LYS C) -169.0 -109.0
 &rst     iat =   575,   577,   579,   597,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 36 ASN PHI:  (35 LYS C)-(36 ASN N)-(36 ASN CA)-(36 ASN C) -105.0 -65.0
 &rst     iat =   597,   599,   601,   611,
	  r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
	&end

# 37 ARG PHI:  (36 ASN C)-(37 ARG N)-(37 ARG CA)-(37 ARG C) -129.0 -69.0
 &rst     iat =   611,   613,   615,   635,
	  r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
	&end

# 39 ASP PHI:  (38 ASP C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -111.0 -61.0
 &rst     iat =   647,   649,   651,   659,
	  r1 = -112.0, r2 = -111.0, r3 = -61.0, r4 = -60.0,
	&end

# 40 GLY PHI:  (39 ASP C)-(40 GLY N)-(40 GLY CA)-(40 GLY C)   0.0 120.0
 &rst     iat =   659,   661,   663,   666,
	  r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
	&end

# 42 VAL PHI:  (41 ARG C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -146.0 -86.0
 &rst     iat =   690,   692,   694,   706,
	  r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
	&end

# 43 GLU PHI:  (42 VAL C)-(43 GLU N)-(43 GLU CA)-(43 GLU C) -140.0 -80.0
 &rst     iat =   706,   708,   710,   721,
	  r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
	&end

# 44 ILE PHI:  (43 GLU C)-(44 ILE N)-(44 ILE CA)-(44 ILE C) -145.0 -105.0
 &rst     iat =   721,   723,   725,   740,
	  r1 = -146.0, r2 = -145.0, r3 = -105.0, r4 = -104.0,
	&end

# 45 LEU PHI:  (44 ILE C)-(45 LEU N)-(45 LEU CA)-(45 LEU C) -150.0 -70.0
 &rst     iat =   740,   742,   744,   759,
	  r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
	&end

# 46 ALA PHI:  (45 LEU C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -167.0 -87.0
 &rst     iat =   759,   761,   763,   769,
	  r1 = -168.0, r2 = -167.0, r3 = -87.0, r4 = -86.0,
	&end

# 47 GLU PHI:  (46 ALA C)-(47 GLU N)-(47 GLU CA)-(47 GLU C) -140.0 -100.0
 &rst     iat =   769,   771,   773,   784,
	  r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
	&end

# 50 GLU PHI:  (49 PRO C)-(50 GLU N)-(50 GLU CA)-(50 GLU C) -92.0 -52.0
 &rst     iat =   805,   807,   809,   820,
	  r1 = -93.0, r2 = -92.0, r3 = -52.0, r4 = -51.0,
	&end

# 52 ALA PHI:  (51 ASN C)-(52 ALA N)-(52 ALA CA)-(52 ALA C) -86.0 -46.0
 &rst     iat =   834,   836,   838,   844,
	  r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
	&end

# 53 LEU PHI:  (52 ALA C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -85.0 -45.0
 &rst     iat =   844,   846,   848,   863,
	  r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
	&end

# 54 GLN PHI:  (53 LEU C)-(54 GLN N)-(54 GLN CA)-(54 GLN C) -84.0 -44.0
 &rst     iat =   863,   865,   867,   880,
	  r1 = -85.0, r2 = -84.0, r3 = -44.0, r4 = -43.0,
	&end

# 55 SER PHI:  (54 GLN C)-(55 SER N)-(55 SER CA)-(55 SER C) -85.0 -45.0
 &rst     iat =   880,   882,   884,   891,
	  r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
	&end

# 56 PHE PHI:  (55 SER C)-(56 PHE N)-(56 PHE CA)-(56 PHE C) -86.0 -46.0
 &rst     iat =   891,   893,   895,   911,
	  r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
	&end

# 57 VAL PHI:  (56 PHE C)-(57 VAL N)-(57 VAL CA)-(57 VAL C) -86.0 -46.0
 &rst     iat =   911,   913,   915,   927,
	  r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
	&end

# 58 GLU PHI:  (57 VAL C)-(58 GLU N)-(58 GLU CA)-(58 GLU C) -85.0 -45.0
 &rst     iat =   927,   929,   931,   942,
	  r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
	&end

# 59 ALA PHI:  (58 GLU C)-(59 ALA N)-(59 ALA CA)-(59 ALA C) -84.0 -44.0
 &rst     iat =   942,   944,   946,   952,
	  r1 = -85.0, r2 = -84.0, r3 = -44.0, r4 = -43.0,
	&end

# 60 VAL PHI:  (59 ALA C)-(60 VAL N)-(60 VAL CA)-(60 VAL C) -87.0 -47.0
 &rst     iat =   952,   954,   956,   968,
	  r1 = -88.0, r2 = -87.0, r3 = -47.0, r4 = -46.0,
	&end

# 61 LYS PHI:  (60 VAL C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -87.0 -47.0
 &rst     iat =   968,   970,   972,   990,
	  r1 = -88.0, r2 = -87.0, r3 = -47.0, r4 = -46.0,
	&end

# 62 ASN PHI:  (61 LYS C)-(62 ASN N)-(62 ASN CA)-(62 ASN C) -106.0 -46.0
 &rst     iat =   990,   992,   994,  1004,
	  r1 = -107.0, r2 = -106.0, r3 = -46.0, r4 = -45.0,
	&end

# 68 LYS PHI:  (67 SER C)-(68 LYS N)-(68 LYS CA)-(68 LYS C) -160.0 -100.0
 &rst     iat =  1067,  1069,  1071,  1089,
	  r1 = -161.0, r2 = -160.0, r3 = -100.0, r4 = -99.0,
	&end

# 69 VAL PHI:  (68 LYS C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -100.0 -60.0
 &rst     iat =  1089,  1091,  1093,  1105,
	  r1 = -101.0, r2 = -100.0, r3 = -60.0, r4 = -59.0,
	&end

# 71 ASP PHI:  (70 THR C)-(71 ASP N)-(71 ASP CA)-(71 ASP C) -159.0 -109.0
 &rst     iat =  1119,  1121,  1123,  1131,
	  r1 = -160.0, r2 = -159.0, r3 = -109.0, r4 = -108.0,
	&end

# 72 ILE PHI:  (71 ASP C)-(72 ILE N)-(72 ILE CA)-(72 ILE C) -157.0 -97.0
 &rst     iat =  1131,  1133,  1135,  1150,
	  r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
	&end

# 73 SER PHI:  (72 ILE C)-(73 SER N)-(73 SER CA)-(73 SER C) -179.0 -99.0
 &rst     iat =  1150,  1152,  1154,  1161,
	  r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
	&end

# 75 THR PHI:  (74 VAL C)-(75 THR N)-(75 THR CA)-(75 THR C) -140.0 -60.0
 &rst     iat =  1177,  1179,  1181,  1191,
	  r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
	&end

# 76 GLU PHI:  (75 THR C)-(76 GLU N)-(76 GLU CA)-(76 GLU C) -164.0 -84.0
 &rst     iat =  1191,  1193,  1195,  1206,
	  r1 = -165.0, r2 = -164.0, r3 = -84.0, r4 = -83.0,
	&end

# 78 ARG PHI:  (77 SER C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -120.0 -60.0
 &rst     iat =  1217,  1219,  1221,  1241,
	  r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
	&end

# 81 GLU PHI:  (80 LEU C)-(81 GLU N)-(81 GLU CA)-(81 GLU C) -180.0   0.0
 &rst     iat =  1271,  1273,  1275,  1286,
	  r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
	&end

# 84 HIS PHI:  (83 HID C)-(84 HID N)-(84 HID CA)-(84 HID C) -147.0 -17.0
 &rst     iat =  1310,  1312,  1314,  1327,
	  r1 = -148.0, r2 = -147.0, r3 = -17.0, r4 = -16.0,
	&end

# 86 PHE PHI:  (85 ARG C)-(86 PHE N)-(86 PHE CA)-(86 PHE C) -155.0 -85.0
 &rst     iat =  1351,  1353,  1355,  1371,
	  r1 = -156.0, r2 = -155.0, r3 = -85.0, r4 = -84.0,
	&end

# 87 SER PHI:  (86 PHE C)-(87 SER N)-(87 SER CA)-(87 SER C) -150.0 -80.0
 &rst     iat =  1371,  1373,  1375,  1382,
	  r1 = -151.0, r2 = -150.0, r3 = -80.0, r4 = -79.0,
	&end

# 88 ILE PHI:  (87 SER C)-(88 ILE N)-(88 ILE CA)-(88 ILE C) -115.0 -75.0
 &rst     iat =  1382,  1384,  1386,  1401,
	  r1 = -116.0, r2 = -115.0, r3 = -75.0, r4 = -74.0,
	&end

# 89 VAL PHI:  (88 ILE C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -141.0 -81.0
 &rst     iat =  1401,  1403,  1405,  1417,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end

# 89 VAL PHI:  (88 ILE C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -141.0 -81.0
 &rst     iat =  1401,  1403,  1405,  1417,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end

# 89 VAL PHI:  (88 ILE C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -141.0 -81.0
 &rst     iat =  1401,  1403,  1405,  1417,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end

# 2 LEU PSI:  (2 LEU N)-(2 LEU CA)-(2 LEU C)-(3 GLN N) 105.0 180.0
 &rst     iat =    20,    22,    37,    39,
	  r1 = 104.0, r2 = 105.0, r3 = 180.0, r4 = 181.0,
	&end

# 3 GLN PSI:  (3 GLN N)-(3 GLN CA)-(3 GLN C)-(4 TYR N)  90.0 170.0
 &rst     iat =    39,    41,    54,    56,
	  r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
	&end

# 4 TYR PSI:  (4 TYR N)-(4 TYR CA)-(4 TYR C)-(5 ARG N)  86.0 166.0
 &rst     iat =    56,    58,    75,    77,
	  r1 =  85.0, r2 =  86.0, r3 = 166.0, r4 = 167.0,
	&end

# 5 ARG PSI:  (5 ARG N)-(5 ARG CA)-(5 ARG C)-(6 ILE N) 100.0 140.0
 &rst     iat =    77,    79,    99,   101,
	  r1 =  99.0, r2 = 100.0, r3 = 140.0, r4 = 141.0,
	&end

# 6 ILE PSI:  (6 ILE N)-(6 ILE CA)-(6 ILE C)-(7 ILE N)  95.0 175.0
 &rst     iat =   101,   103,   118,   120,
	  r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
	&end

# 7 ILE PSI:  (7 ILE N)-(7 ILE CA)-(7 ILE C)-(8 VAL N) 103.0 143.0
 &rst     iat =   120,   122,   137,   139,
	  r1 = 102.0, r2 = 103.0, r3 = 143.0, r4 = 144.0,
	&end

# 8 VAL PSI:  (8 VAL N)-(8 VAL CA)-(8 VAL C)-(9 ASP N) 114.0 154.0
 &rst     iat =   139,   141,   153,   155,
	  r1 = 113.0, r2 = 114.0, r3 = 154.0, r4 = 155.0,
	&end

# 9 ASP PSI:  (9 ASP N)-(9 ASP CA)-(9 ASP C)-(10 GLY N) 115.0 165.0
 &rst     iat =   155,   157,   165,   167,
	  r1 = 114.0, r2 = 115.0, r3 = 165.0, r4 = 166.0,
	&end

# 11 ARG PSI:  (11 ARG N)-(11 ARG CA)-(11 ARG C)-(12 VAL N)  80.0 160.0
 &rst     iat =   174,   176,   196,   198,
	  r1 =  79.0, r2 =  80.0, r3 = 160.0, r4 = 161.0,
	&end

# 13 GLN PSI:  (13 GLN N)-(13 GLN CA)-(13 GLN C)-(14 GLY N) 120.0 180.0
 &rst     iat =   214,   216,   229,   231,
	  r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
	&end

# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 ARG N) -73.0 -13.0
 &rst     iat =   261,   263,   279,   281,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end

# 18 ARG PSI:  (18 ARG N)-(18 ARG CA)-(18 ARG C)-(19 TYR N) -58.0 -18.0
 &rst     iat =   281,   283,   303,   305,
	  r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
	&end

# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 PHE N) -58.0 -18.0
 &rst     iat =   305,   307,   324,   326,
	  r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
	&end

# 20 PHE PSI:  (20 PHE N)-(20 PHE CA)-(20 PHE C)-(21 VAL N) -62.0 -22.0
 &rst     iat =   326,   328,   344,   346,
	  r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
	&end

# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 GLU N) -60.0 -20.0
 &rst     iat =   379,   381,   394,   396,
	  r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
	&end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 ALA N) -62.0 -22.0
 &rst     iat =   396,   398,   409,   411,
	  r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
	&end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 ASP N) -87.0  -7.0
 &rst     iat =   411,   413,   419,   421,
	  r1 = -88.0, r2 = -87.0, r3 =  -7.0, r4 =  -6.0,
	&end

# 26 ASP PSI:  (26 ASP N)-(26 ASP CA)-(26 ASP C)-(27 LYS N) -63.0 -23.0
 &rst     iat =   421,   423,   431,   433,
	  r1 = -64.0, r2 = -63.0, r3 = -23.0, r4 = -22.0,
	&end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 ARG N) -62.0  -2.0
 &rst     iat =   433,   435,   453,   455,
	  r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
	&end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 ALA N) 105.0 165.0
 &rst     iat =   501,   503,   518,   520,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 GLY N) 105.0 165.0
 &rst     iat =   520,   522,   528,   530,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 33 TRP PSI:  (33 TRP N)-(33 TRP CA)-(33 TRP C)-(34 VAL N) 107.0 187.0
 &rst     iat =   537,   539,   559,   561,
	  r1 = 106.0, r2 = 107.0, r3 = 187.0, r4 = 188.0,
	&end

# 34 VAL PSI:  (34 VAL N)-(34 VAL CA)-(34 VAL C)-(35 LYS N) 103.0 183.0
 &rst     iat =   561,   563,   575,   577,
	  r1 = 102.0, r2 = 103.0, r3 = 183.0, r4 = 184.0,
	&end

# 35 LYS PSI:  (35 LYS N)-(35 LYS CA)-(35 LYS C)-(36 ASN N)  95.0 175.0
 &rst     iat =   577,   579,   597,   599,
	  r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
	&end

# 36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 ARG N)  97.0 157.0
 &rst     iat =   599,   601,   611,   613,
	  r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
	&end

# 37 ARG PSI:  (37 ARG N)-(37 ARG CA)-(37 ARG C)-(38 ASP N) 128.0 188.0
 &rst     iat =   613,   615,   635,   637,
	  r1 = 127.0, r2 = 128.0, r3 = 188.0, r4 = 189.0,
	&end

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 GLY N) -32.0  48.0
 &rst     iat =   649,   651,   659,   661,
	  r1 = -33.0, r2 = -32.0, r3 =  48.0, r4 =  49.0,
	&end

# 41 ARG PSI:  (41 ARG N)-(41 ARG CA)-(41 ARG C)-(42 VAL N) 110.0 170.0
 &rst     iat =   668,   670,   690,   692,
	  r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
	&end

# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 GLU N) 114.0 154.0
 &rst     iat =   692,   694,   706,   708,
	  r1 = 113.0, r2 = 114.0, r3 = 154.0, r4 = 155.0,
	&end

# 43 GLU PSI:  (43 GLU N)-(43 GLU CA)-(43 GLU C)-(44 ILE N) 100.0 160.0
 &rst     iat =   708,   710,   721,   723,
	  r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
	&end

# 44 ILE PSI:  (44 ILE N)-(44 ILE CA)-(44 ILE C)-(45 LEU N) 105.0 155.0
 &rst     iat =   723,   725,   740,   742,
	  r1 = 104.0, r2 = 105.0, r3 = 155.0, r4 = 156.0,
	&end

# 45 LEU PSI:  (45 LEU N)-(45 LEU CA)-(45 LEU C)-(46 ALA N)  95.0 175.0
 &rst     iat =   742,   744,   759,   761,
	  r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
	&end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 GLU N) 101.0 181.0
 &rst     iat =   761,   763,   769,   771,
	  r1 = 100.0, r2 = 101.0, r3 = 181.0, r4 = 182.0,
	&end

# 47 GLU PSI:  (47 GLU N)-(47 GLU CA)-(47 GLU C)-(48 GLY N) 115.0 155.0
 &rst     iat =   771,   773,   784,   786,
	  r1 = 114.0, r2 = 115.0, r3 = 155.0, r4 = 156.0,
	&end

# 50 GLU PSI:  (50 GLU N)-(50 GLU CA)-(50 GLU C)-(51 ASN N) -79.0   1.0
 &rst     iat =   807,   809,   820,   822,
	  r1 = -80.0, r2 = -79.0, r3 =   1.0, r4 =   2.0,
	&end

# 51 ASN PSI:  (51 ASN N)-(51 ASN CA)-(51 ASN C)-(52 ALA N) -58.0 -18.0
 &rst     iat =   822,   824,   834,   836,
	  r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
	&end

# 52 ALA PSI:  (52 ALA N)-(52 ALA CA)-(52 ALA C)-(53 LEU N) -58.0 -18.0
 &rst     iat =   836,   838,   844,   846,
	  r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
	&end

# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 GLN N) -64.0 -24.0
 &rst     iat =   846,   848,   863,   865,
	  r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
	&end

# 54 GLN PSI:  (54 GLN N)-(54 GLN CA)-(54 GLN C)-(55 SER N) -62.0 -22.0
 &rst     iat =   865,   867,   880,   882,
	  r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
	&end

# 55 SER PSI:  (55 SER N)-(55 SER CA)-(55 SER C)-(56 PHE N) -59.0 -19.0
 &rst     iat =   882,   884,   891,   893,
	  r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
	&end

# 56 PHE PSI:  (56 PHE N)-(56 PHE CA)-(56 PHE C)-(57 VAL N) -64.0 -24.0
 &rst     iat =   893,   895,   911,   913,
	  r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
	&end

# 57 VAL PSI:  (57 VAL N)-(57 VAL CA)-(57 VAL C)-(58 GLU N) -64.0 -24.0
 &rst     iat =   913,   915,   927,   929,
	  r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
	&end

# 58 GLU PSI:  (58 GLU N)-(58 GLU CA)-(58 GLU C)-(59 ALA N) -67.0 -27.0
 &rst     iat =   929,   931,   942,   944,
	  r1 = -68.0, r2 = -67.0, r3 = -27.0, r4 = -26.0,
	&end

# 59 ALA PSI:  (59 ALA N)-(59 ALA CA)-(59 ALA C)-(60 VAL N) -62.0 -22.0
 &rst     iat =   944,   946,   952,   954,
	  r1 = -63.0, r2 = -62.0, r3 = -22.0, r4 = -21.0,
	&end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 LYS N) -57.0 -17.0
 &rst     iat =   954,   956,   968,   970,
	  r1 = -58.0, r2 = -57.0, r3 = -17.0, r4 = -16.0,
	&end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 ASN N) -59.0 -19.0
 &rst     iat =   970,   972,   990,   992,
	  r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
	&end

# 62 ASN PSI:  (62 ASN N)-(62 ASN CA)-(62 ASN C)-(63 GLY N) -55.0 -15.0
 &rst     iat =   992,   994,  1004,  1006,
	  r1 = -56.0, r2 = -55.0, r3 = -15.0, r4 = -14.0,
	&end

# 64 SER PSI:  (64 SER N)-(64 SER CA)-(64 SER C)-(65 PRO N) 120.0 180.0
 &rst     iat =  1013,  1015,  1022,  1024,
	  r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
	&end

# 68 LYS PSI:  (68 LYS N)-(68 LYS CA)-(68 LYS C)-(69 VAL N)  78.0 138.0
 &rst     iat =  1069,  1071,  1089,  1091,
	  r1 =  77.0, r2 =  78.0, r3 = 138.0, r4 = 139.0,
	&end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 THR N)  95.0 145.0
 &rst     iat =  1091,  1093,  1105,  1107,
	  r1 =  94.0, r2 =  95.0, r3 = 145.0, r4 = 146.0,
	&end

# 71 ASP PSI:  (71 ASP N)-(71 ASP CA)-(71 ASP C)-(72 ILE N)  95.0 175.0
 &rst     iat =  1121,  1123,  1131,  1133,
	  r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
	&end

# 72 ILE PSI:  (72 ILE N)-(72 ILE CA)-(72 ILE C)-(73 SER N) 117.0 157.0
 &rst     iat =  1133,  1135,  1150,  1152,
	  r1 = 116.0, r2 = 117.0, r3 = 157.0, r4 = 158.0,
	&end

# 73 SER PSI:  (73 SER N)-(73 SER CA)-(73 SER C)-(74 VAL N) 100.0 170.0
 &rst     iat =  1152,  1154,  1161,  1163,
	  r1 =  99.0, r2 = 100.0, r3 = 170.0, r4 = 171.0,
	&end

# 74 VAL PSI:  (74 VAL N)-(74 VAL CA)-(74 VAL C)-(75 THR N) 105.0 145.0
 &rst     iat =  1163,  1165,  1177,  1179,
	  r1 = 104.0, r2 = 105.0, r3 = 145.0, r4 = 146.0,
	&end

# 75 THR PSI:  (75 THR N)-(75 THR CA)-(75 THR C)-(76 GLU N)  87.0 167.0
 &rst     iat =  1179,  1181,  1191,  1193,
	  r1 =  86.0, r2 =  87.0, r3 = 167.0, r4 = 168.0,
	&end

# 76 GLU PSI:  (76 GLU N)-(76 GLU CA)-(76 GLU C)-(77 SER N) 110.0 170.0
 &rst     iat =  1193,  1195,  1206,  1208,
	  r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
	&end

# 77 SER PSI:  (77 SER N)-(77 SER CA)-(77 SER C)-(78 ARG N)  95.0 175.0
 &rst     iat =  1208,  1210,  1217,  1219,
	  r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
	&end

# 83 HIS PSI:  (83 HID N)-(83 HID CA)-(83 HID C)-(84 HID N)  30.0 170.0
 &rst     iat =  1295,  1297,  1310,  1312,
	  r1 =  29.0, r2 =  30.0, r3 = 170.0, r4 = 171.0,
	&end

# 84 HIS PSI:  (84 HID N)-(84 HID CA)-(84 HID C)-(85 ARG N) -87.0  -7.0
 &rst     iat =  1312,  1314,  1327,  1329,
	  r1 = -88.0, r2 = -87.0, r3 =  -7.0, r4 =  -6.0,
	&end

# 86 PHE PSI:  (86 PHE N)-(86 PHE CA)-(86 PHE C)-(87 SER N)  97.0 137.0
 &rst     iat =  1353,  1355,  1371,  1373,
	  r1 =  96.0, r2 =  97.0, r3 = 137.0, r4 = 138.0,
	&end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 ILE N) 140.0 180.0
 &rst     iat =  1373,  1375,  1382,  1384,
	  r1 = 139.0, r2 = 140.0, r3 = 180.0, r4 = 181.0,
	&end

# 88 ILE PSI:  (88 ILE N)-(88 ILE CA)-(88 ILE C)-(89 VAL N)  90.0 150.0
 &rst     iat =  1384,  1386,  1401,  1403,
	  r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
	&end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 TYR N) 110.0 190.0
 &rst     iat =  1403,  1405,  1417,  1419,
	  r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
	&end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 TYR N) 110.0 190.0
 &rst     iat =  1403,  1405,  1417,  1419,
	  r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
	&end

# 9 ASP CHI1:  (9 ASP N)-(9 ASP CA)-(9 ASP CB)-(9 ASP CG) 150.0 210.0
 &rst     iat =   155,   157,   159,   162,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 18 ARG CHI1:  (18 ARG N)-(18 ARG CA)-(18 ARG CB)-(18 ARG CG) -90.0 -30.0
 &rst     iat =   281,   283,   285,   288,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 13 GLN CHI1:  (13 GLN N)-(13 GLN CA)-(13 GLN CB)-(13 GLN CG) -90.0 -30.0
 &rst     iat =   214,   216,   218,   221,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end


# 22 GLN CHI1:  (22 GLN N)-(22 GLN CA)-(22 GLN CB)-(22 GLN CG) 150.0 210.0
 &rst     iat =   362,   364,   366,   369,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 26 ASP CHI1:  (26 ASP N)-(26 ASP CA)-(26 ASP CB)-(26 ASP CG) 150.0 210.0
 &rst     iat =   421,   423,   425,   428,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 62 ASN CHI1:  (62 ASN N)-(62 ASN CA)-(62 ASN CB)-(62 ASN CG) 150.0 210.0
 &rst     iat =   992,   994,   996,   999,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end


# 75 THR CHI1:  (75 THR N)-(75 THR CA)-(75 THR CB)-(75 THR OG1) -90.0 -30.0
 &rst     iat =  1179,  1181,  1183,  1189,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 12 VAL CHI1:  (12 VAL N)-(12 VAL CA)-(12 VAL CB)-(12 VAL CG1) -90.0 -30.0
 &rst     iat =   198,   200,   202,   204,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 15 VAL CHI1:  (15 VAL N)-(15 VAL CA)-(15 VAL CB)-(15 VAL CG1) -90.0 -30.0
 &rst     iat =   238,   240,   242,   244,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end

# 60 VAL CHI1:  (60 VAL N)-(60 VAL CA)-(60 VAL CB)-(60 VAL CG1) 150.0 210.0
 &rst     iat =   954,   956,   958,   960,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 3 GLN CHI1:  (3 GLN N)-(3 GLN CA)-(3 GLN CB)-(3 GLN CG) 150.0 210.0
 &rst     iat =    39,    41,    43,    46,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 11 ARG CHI1:  (11 ARG N)-(11 ARG CA)-(11 ARG CB)-(11 ARG CG) 150.0 210.0
 &rst     iat =   174,   176,   178,   181,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 50 GLU CHI1:  (50 GLU N)-(50 GLU CA)-(50 GLU CB)-(50 GLU CG) 150.0 210.0
 &rst     iat =   807,   809,   811,   814,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 86 PHE CHI1:  (86 PHE N)-(86 PHE CA)-(86 PHE CB)-(86 PHE CG) 150.0 210.0
 &rst     iat =  1353,  1355,  1357,  1360,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end

# 34 VAL CHI1:  (34 VAL N)-(34 VAL CA)-(34 VAL CB)-(34 VAL CG1)  30.0  90.0
 &rst     iat =   561,   563,   565,   567,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end


# 37 ARG CHI1:  (37 ARG N)-(37 ARG CA)-(37 ARG CB)-(37 ARG CG) -90.0 -30.0
 &rst     iat =   613,   615,   617,   620,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end


#
# 4 TYR HN 46 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 770, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 5 ARG+ HN 75 THR O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=  78,1192, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 6 ILE HN 44 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 741, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 7 ILE HN 73 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 121,1162, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 8 VAL HN 42 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 707, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 11 ARG+ HN 68 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 175,1090, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 43 GLU- HN 35 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 598, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 21 VAL HN 17 PHE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 280, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 22 GLN HN 18 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 304, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 23 MET HN 19 TYR O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 325, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 24 GLU- HN 20 PHE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 345, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 25 ALA HN 21 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 361, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 26 ASP- HN 22 GLN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 378, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 27 LYS+ HN 23 MET O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 395, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 33 TRP HN 45 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 760, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 35 LYS+ HN 43 GLU- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 722, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 34 VAL HN 87 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 562,1383, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 37 ARG+ HN 41 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 691, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 42 VAL HN 8 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 154, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 43 GLU- HN 35 LYS+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 598, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 44 ILE HN 6 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 119, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 45 LEU HN 33 TRP O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 560, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 46 ALA HN 4 TYR O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  76, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 47 GLU- HN 31 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 529, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 48 GLY HN 2 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 787,  38, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 53 LEU HN 49 PRO O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 806, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 54 GLN HN 50 GLU- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 821, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 55 SER HN 51 ASN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 883, 835, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 56 PHE HN 52 ALA O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 845, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 57 VAL HN 53 LEU O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 864, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 58 GLU- HN 54 GLN O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 881, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 59 ALA HN 55 SER O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 892, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 60 VAL HN 56 PHE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 912, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 61 LYS+ HN 57 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 928, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 68 LYS+ HN 11 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1070, 197, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 70 THR HN 9 ASP- O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1108, 166, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 73 SER HN 7 ILE O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1153, 138, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 75 THR HN 5 ARG+ O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1180, 100, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 87 SER HN 32 GLY O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1374, 536, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 89 VAL HN 34 VAL O 1.8 2.0
 &rst
  ixpk= 0, nxpk= 0, iat=1404, 576, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 4 TYR N 46 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5 ARG+ N 75 THR O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  77,1192, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6 ILE N 44 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 7 ILE N 73 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8 VAL N 42 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 707, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11 ARG+ N 68 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 174,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43 GLU- N 35 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21 VAL N 17 PHE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 22 GLN N 18 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 23 MET N 19 TYR O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 325, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 24 GLU- N 20 PHE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 25 ALA N 21 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 361, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 26 ASP- N 22 GLN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27 LYS+ N 23 MET O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 395, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 33 TRP N 45 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 35 LYS+ N 43 GLU- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 722, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 34 VAL N 87 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 561,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 37 ARG+ N 41 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 691, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 42 VAL N 8 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43 GLU- N 35 LYS+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 44 ILE N 6 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 723, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 45 LEU N 33 TRP O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 46 ALA N 4 TYR O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  76, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 47 GLU- N 31 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 529, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 48 GLY N 2 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  38, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 53 LEU N 49 PRO O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 806, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 54 GLN N 50 GLU- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 821, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 55 SER N 51 ASN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 835, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 56 PHE N 52 ALA O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 893, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 57 VAL N 53 LEU O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 864, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 58 GLU- N 54 GLN O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 59 ALA N 55 SER O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 892, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 60 VAL N 56 PHE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 912, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 61 LYS+ N 57 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 928, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 68 LYS+ N 11 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1069, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 70 THR N 9 ASP- O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1107, 166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 73 SER N 7 ILE O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1152, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 75 THR N 5 ARG+ O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1179, 100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 87 SER N 32 GLY O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1373, 536, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 89 VAL N 34 VAL O 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1403, 576, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 14 GLY HN 92 PBS O3 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=232, 1454, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  
  rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
  &end
#
# 14 GLY N 92 PBS O3 1.8 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=231, 1454, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 15 VAL HN 92 PBS QO 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2=1452,1456,1454,1455,
 &end
#
# 15 VAL  N 92 PBS QO 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1452,1456,1454,1455,
 &end
#
# 16 GLY HN 92 PBS QO 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2=1452,1456,1454,1455,
 &end
#
# 16 GLY  N 92 PBS QO 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1452,1456,1454,1455,
 &end
#
# 17 PHE HN 92 PBS O1 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 262,1452, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 17 PHE  N 92 PBS O1 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 261,1452, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 18 ARG HN 92 PBS O2 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1456, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 18 ARG  N 92 PBS O2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 281,1456, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 18 ARG HE 92 PBS QO 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
 igr2=1452,1456,1454,1455,
 &end
#
# 18 ARG NE 92 PBS QO 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1452,1456,1454,1455,
 &end
#
# 36 ASN QD2 92 PBS QO 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr1= 609, 610,
 igr2=1452,1456,1454,1455,
 &end
#
# 36 ASN ND2 92 PBS QO 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1452,1456,1454,1455,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -7.627 -14.090  -0.498
    2    H2   MET   1           H2       MET   1  -7.090 -12.622  -0.041
    3    H3   MET   1           H3       MET   1  -6.512 -13.317  -1.416
    4    HA   MET   1           HA       MET   1  -5.478 -15.082  -0.148
    5    HB2  MET   1           HB2      MET   1  -4.705 -12.297   0.831
    6    HB3  MET   1           HB3      MET   1  -3.751 -13.761   1.081
    7    HG2  MET   1           HG2      MET   1  -3.486 -14.055  -1.351
    8    HG3  MET   1           HG3      MET   1  -4.476 -12.623  -1.640
    9    HE1  MET   1           HE3      MET   1  -0.110 -12.629  -0.108
   10    HE2  MET   1           HE1      MET   1  -1.388 -13.481   0.782
   11    HE3  MET   1           HE2      MET   1  -0.940 -14.007  -0.860
   12    H    LEU   2           H        LEU   2  -4.716 -15.756   2.087
   13    HA   LEU   2           HA       LEU   2  -6.788 -15.306   4.172
   14    HG   LEU   2           HG       LEU   2  -6.384 -18.362   5.297
   15    HB2  LEU   2           HB2      LEU   2  -7.431 -17.185   2.681
   16    HB3  LEU   2           HB3      LEU   2  -5.853 -17.927   2.919
   17   HD11  LEU   2          HD11      LEU   2  -8.759 -17.994   6.068
   18   HD12  LEU   2          HD12      LEU   2  -7.871 -16.497   5.813
   19   HD13  LEU   2          HD13      LEU   2  -9.033 -17.028   4.595
   20   HD21  LEU   2          HD23      LEU   2  -8.196 -20.014   4.885
   21   HD22  LEU   2          HD21      LEU   2  -8.559 -19.216   3.349
   22   HD23  LEU   2          HD22      LEU   2  -6.998 -20.031   3.586
   23    H    GLN   3           H        GLN   3  -6.063 -15.871   6.258
   24    HA   GLN   3           HA       GLN   3  -3.142 -16.345   6.621
   25    HB2  GLN   3           HB2      GLN   3  -3.793 -14.100   7.405
   26    HB3  GLN   3           HB3      GLN   3  -5.157 -14.783   8.281
   27    HG2  GLN   3           HG2      GLN   3  -3.515 -16.051   9.743
   28    HG3  GLN   3           HG3      GLN   3  -2.218 -15.169   8.941
   29   HE21  GLN   3          HE22      GLN   3  -2.336 -12.708   9.126
   30   HE22  GLN   3          HE21      GLN   3  -3.031 -12.043  10.603
   31    H    TYR   4           H        TYR   4  -2.655 -18.053   7.942
   32    HA   TYR   4           HA       TYR   4  -4.790 -19.374   9.525
   33    HD1  TYR   4           HD2      TYR   4  -6.220 -20.053   8.124
   34    HD2  TYR   4           HD1      TYR   4  -3.246 -22.865   6.803
   35    HE1  TYR   4           HE2      TYR   4  -7.938 -21.242   6.829
   36    HE2  TYR   4           HE1      TYR   4  -4.952 -24.053   5.462
   37    HH   TYR   4           HH       TYR   4  -7.225 -24.173   4.896
   38    HB2  TYR   4           HB2      TYR   4  -2.609 -20.642   7.823
   39    HB3  TYR   4           HB3      TYR   4  -3.308 -21.470   9.198
   40    H    ARG   5           H        ARG   5  -4.061 -20.271  11.437
   41    HA   ARG   5           HA       ARG   5  -1.222 -19.892  12.235
   42    HE   ARG   5           HE       ARG   5  -0.457 -19.340  17.236
   43    HB2  ARG   5           HB2      ARG   5  -2.786 -18.417  13.612
   44    HB3  ARG   5           HB3      ARG   5  -3.651 -19.883  14.084
   45    HG2  ARG   5           HG2      ARG   5  -1.357 -20.715  15.028
   46    HG3  ARG   5           HG3      ARG   5  -0.815 -19.037  14.794
   47    HD2  ARG   5           HD2      ARG   5  -2.808 -18.303  16.186
   48    HD3  ARG   5           HD3      ARG   5  -3.175 -20.024  16.458
   49   HH11  ARG   5          HH21      ARG   5  -3.835 -19.201  18.379
   50   HH12  ARG   5          HH22      ARG   5  -3.390 -19.174  20.045
   51   HH21  ARG   5          HH11      ARG   5   0.105 -19.294  19.312
   52   HH22  ARG   5          HH12      ARG   5  -1.056 -19.230  20.630
   53    H    ILE   6           H        ILE   6  -0.379 -21.925  12.934
   54    HA   ILE   6           HA       ILE   6  -2.264 -24.217  12.992
   55    HB   ILE   6           HB       ILE   6   0.401 -24.272  11.529
   56   HG12  ILE   6          HG12      ILE   6  -1.350 -24.802   9.547
   57   HG13  ILE   6          HG13      ILE   6  -2.369 -23.719  10.469
   58   HG21  ILE   6          HG21      ILE   6  -0.353 -26.466  10.712
   59   HG22  ILE   6          HG22      ILE   6  -0.228 -26.435  12.464
   60   HG23  ILE   6          HG23      ILE   6  -1.823 -26.335  11.696
   61   HD11  ILE   6          HD13      ILE   6  -1.093 -22.570   8.673
   62   HD12  ILE   6          HD11      ILE   6  -0.601 -21.939  10.254
   63   HD13  ILE   6          HD12      ILE   6   0.431 -23.103   9.396
   64    H    ILE   7           H        ILE   7  -1.659 -25.783  14.471
   65    HA   ILE   7           HA       ILE   7   0.795 -25.364  16.088
   66    HB   ILE   7           HB       ILE   7  -1.974 -26.037  17.165
   67   HG12  ILE   7          HG12      ILE   7  -1.935 -23.637  16.560
   68   HG13  ILE   7          HG13      ILE   7  -2.093 -23.910  18.277
   69   HG21  ILE   7          HG21      ILE   7   0.685 -25.600  18.590
   70   HG22  ILE   7          HG22      ILE   7  -0.892 -25.738  19.403
   71   HG23  ILE   7          HG23      ILE   7  -0.252 -27.104  18.483
   72   HD11  ILE   7          HD13      ILE   7  -0.571 -22.022  17.665
   73   HD12  ILE   7          HD11      ILE   7   0.203 -23.244  18.692
   74   HD13  ILE   7          HD12      ILE   7   0.550 -23.191  16.952
   75    H    VAL   8           H        VAL   8   1.812 -27.379  16.500
   76    HA   VAL   8           HA       VAL   8   0.477 -29.821  15.415
   77    HB   VAL   8           HB       VAL   8   3.369 -29.225  14.793
   78   HG11  VAL   8          HG11      VAL   8   1.232 -30.841  13.350
   79   HG12  VAL   8          HG12      VAL   8   2.935 -30.704  12.865
   80   HG13  VAL   8          HG13      VAL   8   2.517 -31.487  14.391
   81   HG21  VAL   8          HG23      VAL   8   2.258 -27.235  13.836
   82   HG22  VAL   8          HG21      VAL   8   2.841 -28.325  12.590
   83   HG23  VAL   8          HG22      VAL   8   1.110 -28.296  12.983
   84    H    ASP   9           H        ASP   9   1.236 -31.797  16.398
   85    HA   ASP   9           HA       ASP   9   3.358 -31.603  18.444
   86    HB2  ASP   9           HB2      ASP   9   1.167 -31.200  19.604
   87    HB3  ASP   9           HB3      ASP   9   0.592 -32.737  18.968
   88    H    GLY  10           H        GLY  10   4.168 -33.731  19.044
   89    HA2  GLY  10           HA2      GLY  10   3.759 -36.228  18.551
   90    HA3  GLY  10           HA3      GLY  10   3.933 -35.736  16.860
   91    H    ARG  11           H        ARG  11   5.806 -37.065  16.682
   92    HA   ARG  11           HA       ARG  11   8.338 -36.091  17.884
   93    HE   ARG  11           HE       ARG  11  11.427 -38.738  13.768
   94    HB2  ARG  11           HB2      ARG  11   8.229 -38.452  17.259
   95    HB3  ARG  11           HB3      ARG  11   7.727 -38.028  15.620
   96    HG2  ARG  11           HG2      ARG  11   9.909 -36.910  15.224
   97    HG3  ARG  11           HG3      ARG  11  10.425 -37.335  16.867
   98    HD2  ARG  11           HD2      ARG  11  10.363 -39.708  16.333
   99    HD3  ARG  11           HD3      ARG  11   9.519 -39.394  14.813
  100   HH11  ARG  11          HH21      ARG  11  12.187 -39.187  17.216
  101   HH12  ARG  11          HH22      ARG  11  13.895 -39.124  16.991
  102   HH21  ARG  11          HH11      ARG  11  13.685 -38.711  13.467
  103   HH22  ARG  11          HH12      ARG  11  14.768 -38.843  14.802
  104    H    VAL  12           H        VAL  12   8.055 -33.872  17.441
  105    HA   VAL  12           HA       VAL  12   8.269 -33.076  14.587
  106    HB   VAL  12           HB       VAL  12   6.626 -31.310  14.967
  107   HG11  VAL  12          HG11      VAL  12   5.869 -33.504  14.096
  108   HG12  VAL  12          HG12      VAL  12   5.406 -33.979  15.737
  109   HG13  VAL  12          HG13      VAL  12   4.611 -32.603  14.964
  110   HG21  VAL  12          HG23      VAL  12   6.146 -32.525  17.728
  111   HG22  VAL  12          HG21      VAL  12   6.849 -30.936  17.397
  112   HG23  VAL  12          HG22      VAL  12   5.171 -31.267  16.959
  113    H    GLN  13           H        GLN  13  10.255 -33.250  16.939
  114    HA   GLN  13           HA       GLN  13  11.343 -30.521  16.624
  115    HB2  GLN  13           HB2      GLN  13  11.306 -31.921  19.332
  116    HB3  GLN  13           HB3      GLN  13  11.892 -30.306  18.935
  117    HG2  GLN  13           HG2      GLN  13   9.402 -29.849  18.264
  118    HG3  GLN  13           HG3      GLN  13   9.037 -31.274  19.222
  119   HE21  GLN  13          HE22      GLN  13   8.898 -28.082  19.449
  120   HE22  GLN  13          HE21      GLN  13   9.300 -27.803  21.137
  121    H    GLY  14           H        GLY  14  13.622 -30.499  16.700
  122    HA2  GLY  14           HA2      GLY  14  15.759 -31.314  16.753
  123    HA3  GLY  14           HA3      GLY  14  15.205 -32.778  17.590
  124    H    VAL  15           H        VAL  15  13.891 -31.550  14.505
  125    HA   VAL  15           HA       VAL  15  15.167 -33.803  13.018
  126    HB   VAL  15           HB       VAL  15  12.976 -34.251  11.923
  127   HG11  VAL  15          HG11      VAL  15  13.880 -35.737  13.674
  128   HG12  VAL  15          HG12      VAL  15  12.979 -34.830  14.905
  129   HG13  VAL  15          HG13      VAL  15  12.110 -35.721  13.640
  130   HG21  VAL  15          HG23      VAL  15  11.721 -32.226  12.490
  131   HG22  VAL  15          HG21      VAL  15  10.882 -33.668  13.075
  132   HG23  VAL  15          HG22      VAL  15  11.767 -32.644  14.217
  133    H    GLY  16           H        GLY  16  14.304 -30.470  13.143
  134    HA2  GLY  16           HA2      GLY  16  15.308 -28.929  11.643
  135    HA3  GLY  16           HA3      GLY  16  15.189 -30.107  10.320
  136    H    PHE  17           H        PHE  17  12.556 -29.636  12.729
  137    HA   PHE  17           HA       PHE  17  10.638 -29.670  10.600
  138    HD1  PHE  17           HD2      PHE  17   8.024 -27.697  11.793
  139    HD2  PHE  17           HD1      PHE  17   8.823 -31.841  12.617
  140    HE1  PHE  17           HE2      PHE  17   5.677 -28.271  11.204
  141    HE2  PHE  17           HE1      PHE  17   6.477 -32.414  12.048
  142    HZ   PHE  17           HZ       PHE  17   4.897 -30.628  11.331
  143    HB2  PHE  17           HB2      PHE  17  10.432 -30.264  13.160
  144    HB3  PHE  17           HB3      PHE  17  10.008 -28.574  13.345
  145    H    ARG  18           H        ARG  18  11.935 -26.999  12.648
  146    HA   ARG  18           HA       ARG  18  10.521 -24.852  11.462
  147    HE   ARG  18           HE       ARG  18  12.912 -25.898  15.153
  148    HB2  ARG  18           HB2      ARG  18  13.274 -25.139  12.711
  149    HB3  ARG  18           HB3      ARG  18  12.769 -23.593  12.029
  150    HG2  ARG  18           HG2      ARG  18  10.945 -23.354  13.507
  151    HG3  ARG  18           HG3      ARG  18  10.994 -25.040  14.022
  152    HD2  ARG  18           HD2      ARG  18  13.327 -23.156  14.534
  153    HD3  ARG  18           HD3      ARG  18  11.924 -23.230  15.613
  154   HH11  ARG  18          HH11      ARG  18  13.664 -22.918  16.978
  155   HH12  ARG  18          HH12      ARG  18  14.382 -23.760  18.303
  156   HH21  ARG  18          HH21      ARG  18  13.866 -26.996  16.870
  157   HH22  ARG  18          HH22      ARG  18  14.530 -26.129  18.236
  158    H    TYR  19           H        TYR  19  13.602 -26.342  10.309
  159    HA   TYR  19           HA       TYR  19  13.949 -24.512   8.133
  160    HD1  TYR  19           HD1      TYR  19  16.391 -24.447   6.721
  161    HD2  TYR  19           HD2      TYR  19  15.038 -28.549   6.702
  162    HE1  TYR  19           HE1      TYR  19  17.237 -24.714   4.407
  163    HE2  TYR  19           HE2      TYR  19  15.878 -28.825   4.398
  164    HH   TYR  19           HH       TYR  19  16.953 -27.807   2.593
  165    HB2  TYR  19           HB2      TYR  19  15.840 -25.758   8.881
  166    HB3  TYR  19           HB3      TYR  19  15.006 -27.295   8.725
  167    H    PHE  20           H        PHE  20  12.472 -27.820   8.274
  168    HA   PHE  20           HA       PHE  20  11.907 -27.890   5.508
  169    HD1  PHE  20           HD1      PHE  20  12.020 -30.066   4.344
  170    HD2  PHE  20           HD2      PHE  20  12.666 -30.722   8.555
  171    HE1  PHE  20           HE1      PHE  20  13.975 -31.498   3.827
  172    HE2  PHE  20           HE2      PHE  20  14.633 -32.125   8.038
  173    HZ   PHE  20           HZ       PHE  20  15.299 -32.520   5.670
  174    HB2  PHE  20           HB2      PHE  20  10.762 -29.423   7.847
  175    HB3  PHE  20           HB3      PHE  20  10.194 -29.668   6.198
  176    H    VAL  21           H        VAL  21   9.853 -26.715   8.247
  177    HA   VAL  21           HA       VAL  21   7.617 -26.071   6.579
  178    HB   VAL  21           HB       VAL  21   8.569 -24.992   9.256
  179   HG11  VAL  21          HG11      VAL  21   5.890 -24.544   7.881
  180   HG12  VAL  21          HG12      VAL  21   6.274 -24.094   9.553
  181   HG13  VAL  21          HG13      VAL  21   7.098 -23.286   8.218
  182   HG21  VAL  21          HG23      VAL  21   7.840 -27.397   9.210
  183   HG22  VAL  21          HG21      VAL  21   6.715 -26.385  10.128
  184   HG23  VAL  21          HG22      VAL  21   6.313 -26.907   8.479
  185    H    GLN  22           H        GLN  22  10.606 -24.197   7.417
  186    HA   GLN  22           HA       GLN  22   9.730 -21.764   6.289
  187    HB2  GLN  22           HB2      GLN  22  11.755 -22.274   7.779
  188    HB3  GLN  22           HB3      GLN  22  12.619 -22.742   6.320
  189    HG2  GLN  22           HG2      GLN  22  11.399 -20.016   6.938
  190    HG3  GLN  22           HG3      GLN  22  13.093 -20.428   7.088
  191   HE21  GLN  22          HE22      GLN  22  11.571 -18.397   5.345
  192   HE22  GLN  22          HE21      GLN  22  12.211 -18.702   3.748
  193    H    MET  23           H        MET  23  11.568 -24.500   4.779
  194    HA   MET  23           HA       MET  23  11.562 -23.171   2.217
  195    HB2  MET  23           HB2      MET  23  12.392 -25.232   1.262
  196    HB3  MET  23           HB3      MET  23  13.288 -24.795   2.717
  197    HG2  MET  23           HG2      MET  23  12.071 -26.443   4.014
  198    HG3  MET  23           HG3      MET  23  11.070 -26.885   2.632
  199    HE1  MET  23           HE3      MET  23  13.423 -28.913   0.344
  200    HE2  MET  23           HE1      MET  23  11.760 -28.390   0.684
  201    HE3  MET  23           HE2      MET  23  12.982 -27.203   0.168
  202    H    GLU  24           H        GLU  24   9.241 -25.451   3.755
  203    HA   GLU  24           HA       GLU  24   7.770 -25.899   1.337
  204    HB2  GLU  24           HB2      GLU  24   7.193 -26.236   4.304
  205    HB3  GLU  24           HB3      GLU  24   5.911 -26.448   3.130
  206    HG2  GLU  24           HG2      GLU  24   8.524 -28.014   3.120
  207    HG3  GLU  24           HG3      GLU  24   6.966 -28.600   3.713
  208    H    ALA  25           H        ALA  25   7.709 -23.271   3.704
  209    HA   ALA  25           HA       ALA  25   5.348 -22.007   2.547
  210    HB1  ALA  25           HB3      ALA  25   6.212 -20.024   3.839
  211    HB2  ALA  25           HB1      ALA  25   6.013 -21.471   4.842
  212    HB3  ALA  25           HB2      ALA  25   7.627 -20.973   4.300
  213    H    ASP  26           H        ASP  26   8.910 -21.699   2.218
  214    HA   ASP  26           HA       ASP  26   8.961 -19.466   0.526
  215    HB2  ASP  26           HB2      ASP  26  10.944 -20.428   1.710
  216    HB3  ASP  26           HB3      ASP  26  10.914 -21.798   0.604
  217    H    LYS  27           H        LYS  27   8.841 -22.967  -0.334
  218    HA   LYS  27           HA       LYS  27   8.989 -22.420  -3.127
  219    HB2  LYS  27           HB2      LYS  27   8.726 -24.740  -3.504
  220    HB3  LYS  27           HB3      LYS  27   9.759 -24.481  -2.123
  221    HG2  LYS  27           HG2      LYS  27   8.550 -26.259  -1.402
  222    HG3  LYS  27           HG3      LYS  27   7.608 -24.949  -0.685
  223    HD2  LYS  27           HD2      LYS  27   5.913 -25.128  -2.348
  224    HD3  LYS  27           HD3      LYS  27   6.894 -26.153  -3.395
  225    HE2  LYS  27           HE2      LYS  27   5.758 -26.948  -0.675
  226    HE3  LYS  27           HE3      LYS  27   5.066 -27.363  -2.243
  227    HZ1  LYS  27           HZ3      LYS  27   7.339 -28.478  -2.643
  228    HZ2  LYS  27           HZ1      LYS  27   7.506 -28.387  -0.986
  229    HZ3  LYS  27           HZ2      LYS  27   6.278 -29.205  -1.633
  230    H    ARG  28           H        ARG  28   6.399 -21.797  -1.092
  231    HA   ARG  28           HA       ARG  28   4.482 -21.699  -3.387
  232    HE   ARG  28           HE       ARG  28   1.899 -25.800  -1.460
  233    HB2  ARG  28           HB2      ARG  28   4.197 -22.008  -0.384
  234    HB3  ARG  28           HB3      ARG  28   2.854 -21.398  -1.341
  235    HG2  ARG  28           HG2      ARG  28   2.545 -23.419  -2.507
  236    HG3  ARG  28           HG3      ARG  28   4.169 -23.993  -2.126
  237    HD2  ARG  28           HD2      ARG  28   3.548 -24.026   0.295
  238    HD3  ARG  28           HD3      ARG  28   1.879 -23.680  -0.161
  239   HH11  ARG  28          HH21      ARG  28   4.455 -25.442   1.011
  240   HH12  ARG  28          HH22      ARG  28   4.644 -27.164   1.211
  241   HH21  ARG  28          HH11      ARG  28   2.228 -28.100  -1.136
  242   HH22  ARG  28          HH12      ARG  28   3.325 -28.630   0.085
  243    H    LYS  29           H        LYS  29   6.738 -19.799  -1.884
  244    HA   LYS  29           HA       LYS  29   6.971 -17.701  -1.164
  245    HB2  LYS  29           HB2      LYS  29   5.135 -17.097  -3.516
  246    HB3  LYS  29           HB3      LYS  29   6.171 -15.930  -2.685
  247    HG2  LYS  29           HG2      LYS  29   8.180 -17.260  -3.301
  248    HG3  LYS  29           HG3      LYS  29   7.146 -18.390  -4.198
  249    HD2  LYS  29           HD2      LYS  29   6.405 -16.542  -5.687
  250    HD3  LYS  29           HD3      LYS  29   7.381 -15.402  -4.757
  251    HE2  LYS  29           HE2      LYS  29   8.604 -15.933  -6.741
  252    HE3  LYS  29           HE3      LYS  29   9.444 -16.657  -5.368
  253    HZ1  LYS  29           HZ3      LYS  29   8.475 -18.796  -5.994
  254    HZ2  LYS  29           HZ1      LYS  29   7.667 -18.114  -7.246
  255    HZ3  LYS  29           HZ2      LYS  29   9.293 -18.166  -7.252
  256    H    LEU  30           H        LEU  30   5.141 -19.072   0.426
  257    HA   LEU  30           HA       LEU  30   2.943 -17.276   1.157
  258    HG   LEU  30           HG       LEU  30   3.136 -20.485   0.865
  259    HB2  LEU  30           HB2      LEU  30   4.389 -19.468   2.701
  260    HB3  LEU  30           HB3      LEU  30   2.957 -18.617   3.245
  261   HD11  LEU  30          HD11      LEU  30   1.652 -21.930   2.199
  262   HD12  LEU  30          HD12      LEU  30   3.186 -21.637   3.037
  263   HD13  LEU  30          HD13      LEU  30   1.727 -20.775   3.545
  264   HD21  LEU  30          HD23      LEU  30   1.455 -18.767   0.378
  265   HD22  LEU  30          HD21      LEU  30   0.670 -20.309   0.723
  266   HD23  LEU  30          HD22      LEU  30   0.704 -19.046   1.973
  267    H    ALA  31           H        ALA  31   3.051 -16.205   3.339
  268    HA   ALA  31           HA       ALA  31   5.776 -15.392   4.195
  269    HB1  ALA  31           HB3      ALA  31   3.411 -13.501   3.844
  270    HB2  ALA  31           HB1      ALA  31   5.024 -13.087   4.467
  271    HB3  ALA  31           HB2      ALA  31   4.836 -13.570   2.779
  272    H    GLY  32           H        GLY  32   5.756 -14.752   6.575
  273    HA2  GLY  32           HA2      GLY  32   3.869 -14.982   8.488
  274    HA3  GLY  32           HA3      GLY  32   3.915 -16.631   7.874
  275    H    TRP  33           H        TRP  33   4.652 -17.423   9.921
  276    HA   TRP  33           HA       TRP  33   7.503 -17.377  10.041
  277    HD1  TRP  33           HD1      TRP  33   5.409 -18.487  13.475
  278    HE1  TRP  33           HE1      TRP  33   3.640 -17.573  15.047
  279    HE3  TRP  33           HE3      TRP  33   5.960 -13.486  12.481
  280    HZ2  TRP  33           HZ2      TRP  33   2.651 -14.985  15.890
  281    HZ3  TRP  33           HZ3      TRP  33   4.613 -11.820  13.723
  282    HH2  TRP  33           HH2      TRP  33   2.957 -12.553  15.428
  283    HB2  TRP  33           HB2      TRP  33   7.731 -16.847  12.408
  284    HB3  TRP  33           HB3      TRP  33   7.051 -15.504  11.532
  285    H    VAL  34           H        VAL  34   8.381 -18.982  11.616
  286    HA   VAL  34           HA       VAL  34   6.437 -20.964  12.617
  287    HB   VAL  34           HB       VAL  34   7.209 -21.909  10.513
  288   HG11  VAL  34          HG11      VAL  34   9.421 -20.778  10.288
  289   HG12  VAL  34          HG12      VAL  34  10.058 -21.807  11.583
  290   HG13  VAL  34          HG13      VAL  34   9.518 -22.529  10.055
  291   HG21  VAL  34          HG23      VAL  34   6.797 -23.417  12.449
  292   HG22  VAL  34          HG21      VAL  34   7.975 -24.075  11.305
  293   HG23  VAL  34          HG22      VAL  34   8.526 -23.382  12.833
  294    H    LYS  35           H        LYS  35   7.060 -21.881  14.579
  295    HA   LYS  35           HA       LYS  35   9.765 -21.409  15.602
  296    HB2  LYS  35           HB2      LYS  35   9.030 -20.549  17.737
  297    HB3  LYS  35           HB3      LYS  35   8.467 -19.481  16.457
  298    HG2  LYS  35           HG2      LYS  35   6.182 -20.526  16.619
  299    HG3  LYS  35           HG3      LYS  35   6.785 -21.575  17.911
  300    HD2  LYS  35           HD2      LYS  35   5.625 -19.820  18.981
  301    HD3  LYS  35           HD3      LYS  35   7.345 -19.518  19.253
  302    HE2  LYS  35           HE2      LYS  35   7.307 -17.871  17.349
  303    HE3  LYS  35           HE3      LYS  35   5.572 -18.165  17.158
  304    HZ1  LYS  35           HZ3      LYS  35   5.291 -17.341  19.450
  305    HZ2  LYS  35           HZ1      LYS  35   6.906 -17.035  19.560
  306    HZ3  LYS  35           HZ2      LYS  35   5.974 -16.204  18.496
  307    H    ASN  36           H        ASN  36  10.139 -22.886  17.513
  308    HA   ASN  36           HA       ASN  36   8.234 -25.159  17.569
  309    HB2  ASN  36           HB2      ASN  36  10.502 -25.458  16.189
  310    HB3  ASN  36           HB3      ASN  36  11.165 -25.783  17.794
  311   HD21  ASN  36          HD22      ASN  36  11.126 -27.794  15.727
  312   HD22  ASN  36          HD21      ASN  36   9.866 -28.957  16.117
  313    H    ARG  37           H        ARG  37   7.504 -25.376  19.588
  314    HA   ARG  37           HA       ARG  37   8.446 -23.301  21.405
  315    HE   ARG  37           HE       ARG  37   3.835 -23.969  22.632
  316    HB2  ARG  37           HB2      ARG  37   6.045 -25.190  21.501
  317    HB3  ARG  37           HB3      ARG  37   6.305 -23.810  22.566
  318    HG2  ARG  37           HG2      ARG  37   6.078 -22.242  20.715
  319    HG3  ARG  37           HG3      ARG  37   6.049 -23.552  19.524
  320    HD2  ARG  37           HD2      ARG  37   3.794 -22.639  19.977
  321    HD3  ARG  37           HD3      ARG  37   3.933 -24.367  20.305
  322   HH11  ARG  37          HH21      ARG  37   3.259 -20.869  20.861
  323   HH12  ARG  37          HH22      ARG  37   2.977 -20.016  22.334
  324   HH21  ARG  37          HH11      ARG  37   3.435 -22.871  24.413
  325   HH22  ARG  37          HH12      ARG  37   2.996 -21.176  24.429
  326    H    ASP  38           H        ASP  38   8.862 -23.612  23.666
  327    HA   ASP  38           HA       ASP  38  10.427 -25.904  24.304
  328    HB2  ASP  38           HB2      ASP  38  10.773 -23.719  25.363
  329    HB3  ASP  38           HB3      ASP  38   9.164 -23.784  26.087
  330    H    ASP  39           H        ASP  39   7.006 -25.200  24.786
  331    HA   ASP  39           HA       ASP  39   6.467 -27.378  26.545
  332    HB2  ASP  39           HB2      ASP  39   4.152 -26.979  26.174
  333    HB3  ASP  39           HB3      ASP  39   4.985 -25.445  26.345
  334    H    GLY  40           H        GLY  40   7.410 -27.477  23.292
  335    HA2  GLY  40           HA2      GLY  40   8.018 -29.606  22.460
  336    HA3  GLY  40           HA3      GLY  40   6.560 -30.323  23.133
  337    H    ARG  41           H        ARG  41   5.058 -27.755  21.988
  338    HA   ARG  41           HA       ARG  41   4.294 -29.146  19.541
  339    HE   ARG  41           HE       ARG  41   2.367 -26.512  22.876
  340    HB2  ARG  41           HB2      ARG  41   3.373 -26.545  20.832
  341    HB3  ARG  41           HB3      ARG  41   2.631 -27.254  19.399
  342    HG2  ARG  41           HG2      ARG  41   1.961 -29.245  20.602
  343    HG3  ARG  41           HG3      ARG  41   2.825 -28.749  22.060
  344    HD2  ARG  41           HD2      ARG  41   0.481 -27.252  20.841
  345    HD3  ARG  41           HD3      ARG  41   0.387 -28.371  22.214
  346   HH11  ARG  41          HH21      ARG  41  -1.146 -26.458  22.255
  347   HH12  ARG  41          HH22      ARG  41  -1.447 -25.087  23.255
  348   HH21  ARG  41          HH11      ARG  41   1.967 -24.708  24.201
  349   HH22  ARG  41          HH12      ARG  41   0.360 -24.073  24.413
  350    H    VAL  42           H        VAL  42   4.218 -28.122  17.494
  351    HA   VAL  42           HA       VAL  42   6.294 -26.040  16.976
  352    HB   VAL  42           HB       VAL  42   4.561 -27.299  14.837
  353   HG11  VAL  42          HG11      VAL  42   6.436 -26.719  13.370
  354   HG12  VAL  42          HG12      VAL  42   5.903 -25.293  14.249
  355   HG13  VAL  42          HG13      VAL  42   7.379 -26.138  14.760
  356   HG21  VAL  42          HG23      VAL  42   5.573 -29.247  15.872
  357   HG22  VAL  42          HG21      VAL  42   6.353 -28.932  14.330
  358   HG23  VAL  42          HG22      VAL  42   7.179 -28.486  15.834
  359    H    GLU  43           H        GLU  43   5.524 -24.020  16.104
  360    HA   GLU  43           HA       GLU  43   2.604 -23.693  15.827
  361    HB2  GLU  43           HB2      GLU  43   2.884 -22.827  17.977
  362    HB3  GLU  43           HB3      GLU  43   4.427 -22.048  17.596
  363    HG2  GLU  43           HG2      GLU  43   3.338 -20.353  16.263
  364    HG3  GLU  43           HG3      GLU  43   1.794 -21.212  16.329
  365    H    ILE  44           H        ILE  44   2.061 -22.384  14.140
  366    HA   ILE  44           HA       ILE  44   4.198 -21.143  12.517
  367    HB   ILE  44           HB       ILE  44   1.961 -22.761  11.307
  368   HG12  ILE  44          HG12      ILE  44   4.622 -24.011  12.090
  369   HG13  ILE  44          HG13      ILE  44   3.026 -24.449  12.707
  370   HG21  ILE  44          HG21      ILE  44   3.330 -21.178   9.904
  371   HG22  ILE  44          HG22      ILE  44   4.759 -22.157  10.289
  372   HG23  ILE  44          HG23      ILE  44   3.409 -22.836   9.352
  373   HD11  ILE  44          HD13      ILE  44   3.640 -26.106  11.127
  374   HD12  ILE  44          HD11      ILE  44   2.358 -25.128  10.375
  375   HD13  ILE  44          HD12      ILE  44   4.050 -24.919   9.888
  376    H    LEU  45           H        LEU  45   3.358 -19.410  11.258
  377    HA   LEU  45           HA       LEU  45   0.459 -18.879  11.276
  378    HG   LEU  45           HG       LEU  45  -0.495 -16.693  12.100
  379    HB2  LEU  45           HB2      LEU  45   1.647 -17.468  13.051
  380    HB3  LEU  45           HB3      LEU  45   2.543 -16.696  11.746
  381   HD11  LEU  45          HD11      LEU  45   1.569 -14.511  12.624
  382   HD12  LEU  45          HD12      LEU  45  -0.195 -14.349  12.801
  383   HD13  LEU  45          HD13      LEU  45   0.701 -15.446  13.858
  384   HD21  LEU  45          HD23      LEU  45  -0.334 -14.701  10.468
  385   HD22  LEU  45          HD21      LEU  45   1.289 -15.296  10.056
  386   HD23  LEU  45          HD22      LEU  45  -0.157 -16.298   9.767
  387    H    ALA  46           H        ALA  46  -0.079 -18.524   9.073
  388    HA   ALA  46           HA       ALA  46   2.121 -17.904   7.183
  389    HB1  ALA  46           HB3      ALA  46   0.316 -20.357   6.978
  390    HB2  ALA  46           HB1      ALA  46   1.468 -19.798   5.743
  391    HB3  ALA  46           HB2      ALA  46   2.064 -20.367   7.312
  392    H    GLU  47           H        GLU  47   1.398 -16.966   5.277
  393    HA   GLU  47           HA       GLU  47  -1.475 -16.297   5.012
  394    HB2  GLU  47           HB2      GLU  47   0.900 -14.365   4.907
  395    HB3  GLU  47           HB3      GLU  47  -0.781 -13.971   4.531
  396    HG2  GLU  47           HG2      GLU  47  -1.351 -14.782   6.890
  397    HG3  GLU  47           HG3      GLU  47   0.382 -14.766   7.233
  398    H    GLY  48           H        GLY  48  -2.168 -16.341   2.889
  399    HA2  GLY  48           HA2      GLY  48  -0.665 -15.818   0.568
  400    HA3  GLY  48           HA3      GLY  48  -0.486 -17.535   0.910
  401    HA   PRO  49           HA       PRO  49  -4.552 -17.127  -1.321
  402    HB2  PRO  49           HB2      PRO  49  -4.002 -18.821  -3.407
  403    HB3  PRO  49           HB3      PRO  49  -3.662 -17.065  -3.446
  404    HG2  PRO  49           HG2      PRO  49  -1.750 -19.325  -2.876
  405    HG3  PRO  49           HG3      PRO  49  -1.489 -17.883  -3.898
  406    HD2  PRO  49           HD2      PRO  49  -0.589 -18.089  -1.301
  407    HD3  PRO  49           HD3      PRO  49  -1.058 -16.527  -2.038
  408    H    GLU  50           H        GLU  50  -6.111 -18.606  -0.818
  409    HA   GLU  50           HA       GLU  50  -5.615 -20.326   1.291
  410    HB2  GLU  50           HB2      GLU  50  -7.693 -19.227   0.968
  411    HB3  GLU  50           HB3      GLU  50  -7.973 -19.993  -0.598
  412    HG2  GLU  50           HG2      GLU  50  -8.477 -22.083   0.361
  413    HG3  GLU  50           HG3      GLU  50  -7.801 -21.643   1.935
  414    H    ASN  51           H        ASN  51  -5.660 -21.229  -2.180
  415    HA   ASN  51           HA       ASN  51  -5.849 -24.072  -1.660
  416    HB2  ASN  51           HB2      ASN  51  -6.401 -23.173  -3.870
  417    HB3  ASN  51           HB3      ASN  51  -4.757 -22.560  -4.072
  418   HD21  ASN  51          HD22      ASN  51  -3.313 -23.946  -5.139
  419   HD22  ASN  51          HD21      ASN  51  -3.543 -25.665  -5.296
  420    H    ALA  52           H        ALA  52  -3.101 -21.858  -2.190
  421    HA   ALA  52           HA       ALA  52  -1.070 -23.921  -2.009
  422    HB1  ALA  52           HB3      ALA  52  -0.831 -20.917  -1.513
  423    HB2  ALA  52           HB1      ALA  52   0.496 -22.049  -1.810
  424    HB3  ALA  52           HB2      ALA  52  -0.667 -21.710  -3.105
  425    H    LEU  53           H        LEU  53  -2.634 -21.654   0.259
  426    HA   LEU  53           HA       LEU  53  -1.056 -22.169   2.522
  427    HG   LEU  53           HG       LEU  53  -2.802 -21.638   4.758
  428    HB2  LEU  53           HB2      LEU  53  -2.911 -20.389   1.992
  429    HB3  LEU  53           HB3      LEU  53  -4.044 -21.601   2.562
  430   HD11  LEU  53          HD11      LEU  53  -0.607 -20.773   4.122
  431   HD12  LEU  53          HD12      LEU  53  -1.335 -19.256   3.542
  432   HD13  LEU  53          HD13      LEU  53  -1.357 -19.665   5.269
  433   HD21  LEU  53          HD23      LEU  53  -3.906 -18.968   3.770
  434   HD22  LEU  53          HD21      LEU  53  -4.851 -20.327   4.416
  435   HD23  LEU  53          HD22      LEU  53  -3.752 -19.439   5.480
  436    H    GLN  54           H        GLN  54  -4.143 -23.711   1.470
  437    HA   GLN  54           HA       GLN  54  -4.270 -25.671   3.535
  438    HB2  GLN  54           HB2      GLN  54  -5.293 -25.545   0.679
  439    HB3  GLN  54           HB3      GLN  54  -5.541 -26.973   1.673
  440    HG2  GLN  54           HG2      GLN  54  -6.790 -25.753   3.333
  441    HG3  GLN  54           HG3      GLN  54  -6.420 -24.201   2.565
  442   HE21  GLN  54          HE22      GLN  54  -7.150 -23.939   0.281
  443   HE22  GLN  54          HE21      GLN  54  -8.671 -24.676  -0.222
  444    H    SER  55           H        SER  55  -2.665 -25.807   0.295
  445    HA   SER  55           HA       SER  55  -1.805 -28.502   0.539
  446    HG   SER  55           HG       SER  55  -2.610 -26.353  -1.621
  447    HB2  SER  55           HB2      SER  55  -0.469 -26.219  -0.974
  448    HB3  SER  55           HB3      SER  55  -0.276 -27.955  -1.279
  449    H    PHE  56           H        PHE  56  -0.249 -25.453   1.612
  450    HA   PHE  56           HA       PHE  56   2.164 -26.589   2.591
  451    HD1  PHE  56           HD2      PHE  56   4.219 -24.656   3.430
  452    HD2  PHE  56           HD1      PHE  56   0.597 -23.738   5.587
  453    HE1  PHE  56           HE2      PHE  56   5.559 -23.818   5.341
  454    HE2  PHE  56           HE1      PHE  56   1.940 -22.878   7.472
  455    HZ   PHE  56           HZ       PHE  56   4.427 -22.863   7.327
  456    HB2  PHE  56           HB2      PHE  56   2.014 -24.260   2.263
  457    HB3  PHE  56           HB3      PHE  56   0.557 -24.097   3.203
  458    H    VAL  57           H        VAL  57  -1.077 -26.060   4.222
  459    HA   VAL  57           HA       VAL  57  -0.202 -27.185   6.681
  460    HB   VAL  57           HB       VAL  57  -3.016 -27.060   5.526
  461   HG11  VAL  57          HG11      VAL  57  -3.780 -27.371   7.856
  462   HG12  VAL  57          HG12      VAL  57  -2.896 -28.791   7.304
  463   HG13  VAL  57          HG13      VAL  57  -2.102 -27.630   8.387
  464   HG21  VAL  57          HG23      VAL  57  -2.117 -24.831   5.877
  465   HG22  VAL  57          HG21      VAL  57  -3.183 -25.183   7.239
  466   HG23  VAL  57          HG22      VAL  57  -1.417 -25.293   7.425
  467    H    GLU  58           H        GLU  58  -1.661 -28.775   3.772
  468    HA   GLU  58           HA       GLU  58  -1.803 -31.387   4.802
  469    HB2  GLU  58           HB2      GLU  58  -1.224 -30.394   1.994
  470    HB3  GLU  58           HB3      GLU  58  -1.424 -32.092   2.370
  471    HG2  GLU  58           HG2      GLU  58  -3.569 -30.044   3.051
  472    HG3  GLU  58           HG3      GLU  58  -3.450 -30.792   1.465
  473    H    ALA  59           H        ALA  59   0.976 -29.660   3.430
  474    HA   ALA  59           HA       ALA  59   2.811 -31.861   3.615
  475    HB1  ALA  59           HB3      ALA  59   3.433 -28.876   3.598
  476    HB2  ALA  59           HB1      ALA  59   4.568 -30.197   3.282
  477    HB3  ALA  59           HB2      ALA  59   3.223 -29.906   2.164
  478    H    VAL  60           H        VAL  60   2.020 -29.159   5.869
  479    HA   VAL  60           HA       VAL  60   3.895 -29.850   7.895
  480    HB   VAL  60           HB       VAL  60   1.234 -28.381   7.973
  481   HG11  VAL  60          HG11      VAL  60   1.861 -27.513  10.175
  482   HG12  VAL  60          HG12      VAL  60   1.626 -29.253  10.240
  483   HG13  VAL  60          HG13      VAL  60   3.275 -28.597  10.213
  484   HG21  VAL  60          HG23      VAL  60   2.587 -26.380   8.094
  485   HG22  VAL  60          HG21      VAL  60   4.078 -27.331   8.251
  486   HG23  VAL  60          HG22      VAL  60   3.189 -27.317   6.728
  487    H    LYS  61           H        LYS  61   0.660 -31.260   7.133
  488    HA   LYS  61           HA       LYS  61   0.448 -32.743   9.540
  489    HB2  LYS  61           HB2      LYS  61  -0.492 -33.803   6.849
  490    HB3  LYS  61           HB3      LYS  61  -1.070 -34.213   8.470
  491    HG2  LYS  61           HG2      LYS  61  -1.850 -31.833   8.714
  492    HG3  LYS  61           HG3      LYS  61  -1.469 -31.611   6.992
  493    HD2  LYS  61           HD2      LYS  61  -3.063 -33.292   6.339
  494    HD3  LYS  61           HD3      LYS  61  -3.407 -33.707   8.035
  495    HE2  LYS  61           HE2      LYS  61  -4.381 -31.550   8.476
  496    HE3  LYS  61           HE3      LYS  61  -3.785 -30.893   6.941
  497    HZ1  LYS  61           HZ3      LYS  61  -5.811 -33.039   7.108
  498    HZ2  LYS  61           HZ1      LYS  61  -6.147 -31.459   6.858
  499    HZ3  LYS  61           HZ2      LYS  61  -5.260 -32.276   5.749
  500    H    ASN  62           H        ASN  62   2.425 -33.391   6.639
  501    HA   ASN  62           HA       ASN  62   3.218 -36.033   7.544
  502    HB2  ASN  62           HB2      ASN  62   3.411 -35.469   5.159
  503    HB3  ASN  62           HB3      ASN  62   4.532 -34.156   5.531
  504   HD21  ASN  62          HD22      ASN  62   6.751 -34.660   6.092
  505   HD22  ASN  62          HD21      ASN  62   7.358 -36.288   6.013
  506    H    GLY  63           H        GLY  63   4.553 -32.743   7.631
  507    HA2  GLY  63           HA2      GLY  63   6.008 -31.786   9.217
  508    HA3  GLY  63           HA3      GLY  63   6.285 -33.378   9.945
  509    H    SER  64           H        SER  64   8.587 -33.028   9.819
  510    HA   SER  64           HA       SER  64   9.990 -32.581   7.338
  511    HG   SER  64           HG       SER  64  10.247 -34.144  10.653
  512    HB2  SER  64           HB2      SER  64  11.957 -33.145   8.613
  513    HB3  SER  64           HB3      SER  64  10.912 -32.192   9.665
  514    HA   PRO  65           HA       PRO  65  10.246 -36.823   5.708
  515    HB2  PRO  65           HB2      PRO  65  13.234 -36.594   6.026
  516    HB3  PRO  65           HB3      PRO  65  12.293 -37.156   4.612
  517    HG2  PRO  65           HG2      PRO  65  13.372 -34.669   4.638
  518    HG3  PRO  65           HG3      PRO  65  11.701 -34.913   4.026
  519    HD2  PRO  65           HD2      PRO  65  12.583 -33.970   6.762
  520    HD3  PRO  65           HD3      PRO  65  11.314 -33.288   5.696
  521    H    PHE  66           H        PHE  66  11.372 -35.953   8.861
  522    HA   PHE  66           HA       PHE  66  11.871 -38.784   9.637
  523    HD1  PHE  66           HD2      PHE  66  14.651 -39.097   8.975
  524    HD2  PHE  66           HD1      PHE  66  13.970 -34.851   9.358
  525    HE1  PHE  66           HE2      PHE  66  16.276 -38.666   7.146
  526    HE2  PHE  66           HE1      PHE  66  15.597 -34.429   7.532
  527    HZ   PHE  66           HZ       PHE  66  16.751 -36.333   6.421
  528    HB2  PHE  66           HB2      PHE  66  13.053 -36.342  10.964
  529    HB3  PHE  66           HB3      PHE  66  13.583 -38.010  11.082
  530    H    SER  67           H        SER  67   9.575 -36.361   9.919
  531    HA   SER  67           HA       SER  67   9.135 -36.382  12.774
  532    HG   SER  67           HG       SER  67   8.886 -34.024  12.434
  533    HB2  SER  67           HB2      SER  67   7.530 -35.419  10.368
  534    HB3  SER  67           HB3      SER  67   7.025 -35.165  12.049
  535    H    LYS  68           H        LYS  68   7.095 -36.957  13.690
  536    HA   LYS  68           HA       LYS  68   5.243 -38.608  12.177
  537    HB2  LYS  68           HB2      LYS  68   6.543 -40.386  13.250
  538    HB3  LYS  68           HB3      LYS  68   6.384 -39.612  14.823
  539    HG2  LYS  68           HG2      LYS  68   4.877 -41.515  14.618
  540    HG3  LYS  68           HG3      LYS  68   3.972 -40.023  14.852
  541    HD2  LYS  68           HD2      LYS  68   3.419 -39.951  12.438
  542    HD3  LYS  68           HD3      LYS  68   4.394 -41.417  12.170
  543    HE2  LYS  68           HE2      LYS  68   2.907 -42.665  13.729
  544    HE3  LYS  68           HE3      LYS  68   1.950 -41.201  13.992
  545    HZ1  LYS  68           HZ3      LYS  68   1.352 -41.246  11.641
  546    HZ2  LYS  68           HZ1      LYS  68   2.243 -42.596  11.392
  547    HZ3  LYS  68           HZ2      LYS  68   0.931 -42.648  12.353
  548    H    VAL  69           H        VAL  69   4.069 -36.687  12.190
  549    HA   VAL  69           HA       VAL  69   3.352 -35.190  14.548
  550    HB   VAL  69           HB       VAL  69   2.010 -35.583  11.837
  551   HG11  VAL  69          HG11      VAL  69   1.423 -33.519  13.993
  552   HG12  VAL  69          HG12      VAL  69   0.826 -33.429  12.322
  553   HG13  VAL  69          HG13      VAL  69   0.315 -34.753  13.366
  554   HG21  VAL  69          HG23      VAL  69   4.254 -34.526  11.652
  555   HG22  VAL  69          HG21      VAL  69   2.973 -33.382  11.269
  556   HG23  VAL  69          HG22      VAL  69   3.768 -33.302  12.845
  557    H    THR  70           H        THR  70   1.670 -35.603  15.999
  558    HA   THR  70           HA       THR  70  -0.047 -37.995  15.523
  559    HB   THR  70           HB       THR  70  -0.017 -38.287  17.987
  560    HG1  THR  70           HG1      THR  70   0.554 -36.344  18.803
  561   HG21  THR  70          HG23      THR  70   2.797 -38.224  16.811
  562   HG22  THR  70          HG21      THR  70   2.227 -39.216  18.169
  563   HG23  THR  70          HG22      THR  70   1.611 -39.521  16.534
  564    H    ASP  71           H        ASP  71   0.049 -34.546  16.158
  565    HA   ASP  71           HA       ASP  71  -2.859 -34.468  15.886
  566    HB2  ASP  71           HB2      ASP  71  -2.603 -34.620  18.351
  567    HB3  ASP  71           HB3      ASP  71  -1.454 -33.280  18.320
  568    H    ILE  72           H        ILE  72  -3.558 -32.407  15.168
  569    HA   ILE  72           HA       ILE  72  -1.672 -30.242  14.840
  570    HB   ILE  72           HB       ILE  72  -1.138 -31.625  12.897
  571   HG12  ILE  72          HG12      ILE  72  -2.662 -29.099  12.148
  572   HG13  ILE  72          HG13      ILE  72  -0.996 -29.204  12.721
  573   HG21  ILE  72          HG21      ILE  72  -3.303 -32.845  12.657
  574   HG22  ILE  72          HG22      ILE  72  -4.027 -31.372  11.973
  575   HG23  ILE  72          HG23      ILE  72  -2.697 -32.201  11.138
  576   HD11  ILE  72          HD13      ILE  72  -0.530 -30.677  10.649
  577   HD12  ILE  72          HD11      ILE  72  -2.129 -30.146  10.077
  578   HD13  ILE  72          HD12      ILE  72  -0.863 -28.952  10.363
  579    H    SER  73           H        SER  73  -2.815 -28.273  14.644
  580    HA   SER  73           HA       SER  73  -5.774 -28.325  14.430
  581    HG   SER  73           HG       SER  73  -4.462 -29.118  17.127
  582    HB2  SER  73           HB2      SER  73  -4.203 -26.929  16.649
  583    HB3  SER  73           HB3      SER  73  -5.946 -26.811  16.370
  584    H    VAL  74           H        VAL  74  -6.608 -26.271  13.712
  585    HA   VAL  74           HA       VAL  74  -4.628 -24.316  12.701
  586    HB   VAL  74           HB       VAL  74  -6.904 -25.552  11.090
  587   HG11  VAL  74          HG11      VAL  74  -4.794 -23.495  10.295
  588   HG12  VAL  74          HG12      VAL  74  -5.887 -24.315   9.162
  589   HG13  VAL  74          HG13      VAL  74  -6.550 -23.239  10.386
  590   HG21  VAL  74          HG23      VAL  74  -5.144 -26.507   9.642
  591   HG22  VAL  74          HG21      VAL  74  -3.899 -25.921  10.766
  592   HG23  VAL  74          HG22      VAL  74  -5.065 -27.167  11.273
  593    H    THR  75           H        THR  75  -5.414 -22.226  12.599
  594    HA   THR  75           HA       THR  75  -8.252 -21.646  13.163
  595    HB   THR  75           HB       THR  75  -6.015 -19.989  14.384
  596    HG1  THR  75           HG1      THR  75  -5.930 -22.070  15.296
  597   HG21  THR  75          HG23      THR  75  -8.989 -20.226  15.026
  598   HG22  THR  75          HG21      THR  75  -7.818 -19.254  15.946
  599   HG23  THR  75          HG22      THR  75  -8.169 -18.841  14.267
  600    H    GLU  76           H        GLU  76  -8.714 -19.355  12.204
  601    HA   GLU  76           HA       GLU  76  -6.783 -18.627  10.093
  602    HB2  GLU  76           HB2      GLU  76  -8.377 -18.859   8.328
  603    HB3  GLU  76           HB3      GLU  76  -8.274 -20.402   9.177
  604    HG2  GLU  76           HG2      GLU  76 -10.385 -19.890  10.370
  605    HG3  GLU  76           HG3      GLU  76 -10.495 -18.346   9.512
  606    H    SER  77           H        SER  77  -7.324 -16.649   8.978
  607    HA   SER  77           HA       SER  77  -9.333 -14.870  10.210
  608    HG   SER  77           HG       SER  77  -5.916 -14.363  11.631
  609    HB2  SER  77           HB2      SER  77  -6.492 -13.908   9.716
  610    HB3  SER  77           HB3      SER  77  -7.799 -13.056  10.528
  611    H    ARG  78           H        ARG  78 -10.436 -13.959   8.528
  612    HA   ARG  78           HA       ARG  78  -9.568 -14.555   5.803
  613    HE   ARG  78           HE       ARG  78 -11.699 -17.920   6.077
  614    HB2  ARG  78           HB2      ARG  78 -12.084 -13.357   7.030
  615    HB3  ARG  78           HB3      ARG  78 -11.882 -13.490   5.286
  616    HG2  ARG  78           HG2      ARG  78 -11.563 -15.919   7.087
  617    HG3  ARG  78           HG3      ARG  78 -13.142 -15.402   6.497
  618    HD2  ARG  78           HD2      ARG  78 -12.666 -15.885   4.273
  619    HD3  ARG  78           HD3      ARG  78 -10.918 -15.740   4.492
  620   HH11  ARG  78          HH21      ARG  78 -11.611 -17.174   2.574
  621   HH12  ARG  78          HH22      ARG  78 -11.127 -18.793   2.149
  622   HH21  ARG  78          HH11      ARG  78 -11.182 -19.920   5.516
  623   HH22  ARG  78          HH12      ARG  78 -10.930 -20.424   3.832
  624    H    SER  79           H        SER  79  -8.321 -12.330   7.627
  625    HA   SER  79           HA       SER  79  -7.814 -10.504   5.386
  626    HG   SER  79           HG       SER  79  -9.918  -9.093   5.868
  627    HB2  SER  79           HB2      SER  79  -8.382  -9.536   8.226
  628    HB3  SER  79           HB3      SER  79  -7.940  -8.532   6.837
  629    H    LEU  80           H        LEU  80  -5.626  -9.805   5.445
  630    HA   LEU  80           HA       LEU  80  -3.885 -11.617   6.977
  631    HG   LEU  80           HG       LEU  80  -4.360 -11.085   3.648
  632    HB2  LEU  80           HB2      LEU  80  -3.155  -9.460   4.949
  633    HB3  LEU  80           HB3      LEU  80  -2.093 -10.691   5.612
  634   HD11  LEU  80          HD11      LEU  80  -2.540 -11.959   2.242
  635   HD12  LEU  80          HD12      LEU  80  -2.171 -10.320   2.784
  636   HD13  LEU  80          HD13      LEU  80  -1.373 -11.709   3.555
  637   HD21  LEU  80          HD23      LEU  80  -3.704 -13.531   3.695
  638   HD22  LEU  80          HD21      LEU  80  -2.839 -13.206   5.211
  639   HD23  LEU  80          HD22      LEU  80  -4.593 -12.973   5.118
  640    H    GLU  81           H        GLU  81  -2.039 -10.867   8.111
  641    HA   GLU  81           HA       GLU  81  -2.148  -8.185   9.358
  642    HB2  GLU  81           HB2      GLU  81  -1.444 -10.202  10.681
  643    HB3  GLU  81           HB3      GLU  81  -0.051 -10.391   9.603
  644    HG2  GLU  81           HG2      GLU  81   0.779  -8.162  10.255
  645    HG3  GLU  81           HG3      GLU  81  -0.660  -7.881  11.235
  646    H    GLY  82           H        GLY  82  -0.367 -10.157   6.955
  647    HA2  GLY  82           HA2      GLY  82   0.220  -9.293   4.850
  648    HA3  GLY  82           HA3      GLY  82   0.318  -7.653   5.503
  649    H    HIS  83           H        HIS  83   1.822 -10.836   6.381
  650    HA   HIS  83           HA       HIS  83   4.354  -9.752   7.148
  651    HD1  HIS  83           HD1      HIS  83   1.447 -12.110   8.075
  652    HD2  HIS  83           HD2      HIS  83   5.431 -12.381   9.408
  653    HE1  HIS  83           HE1      HIS  83   1.341 -12.643  10.586
  654    HB2  HIS  83           HB2      HIS  83   3.493 -12.517   6.210
  655    HB3  HIS  83           HB3      HIS  83   5.099 -12.143   6.825
  656    H    HIS  84           H        HIS  84   6.293  -9.549   5.999
  657    HA   HIS  84           HA       HIS  84   6.020  -9.141   3.115
  658    HD1  HIS  84           HD1      HIS  84  10.491  -8.587   3.450
  659    HD2  HIS  84           HD2      HIS  84   6.991  -6.903   1.822
  660    HE1  HIS  84           HE1      HIS  84  11.169  -7.537   1.236
  661    HB2  HIS  84           HB2      HIS  84   7.153  -7.530   4.630
  662    HB3  HIS  84           HB3      HIS  84   8.379  -8.743   5.001
  663    H    ARG  85           H        ARG  85   7.397 -11.604   5.238
  664    HA   ARG  85           HA       ARG  85   8.260 -13.273   2.999
  665    HE   ARG  85           HE       ARG  85  11.658 -14.076   6.610
  666    HB2  ARG  85           HB2      ARG  85  10.544 -13.554   3.907
  667    HB3  ARG  85           HB3      ARG  85  10.277 -11.932   3.302
  668    HG2  ARG  85           HG2      ARG  85  10.214 -10.961   5.456
  669    HG3  ARG  85           HG3      ARG  85   9.915 -12.498   6.271
  670    HD2  ARG  85           HD2      ARG  85  12.494 -11.831   4.807
  671    HD3  ARG  85           HD3      ARG  85  12.251 -11.619   6.549
  672   HH11  ARG  85          HH21      ARG  85  14.262 -12.741   4.607
  673   HH12  ARG  85          HH22      ARG  85  15.012 -14.264   4.313
  674   HH21  ARG  85          HH11      ARG  85  12.466 -16.113   5.970
  675   HH22  ARG  85          HH12      ARG  85  14.028 -16.233   5.224
  676    H    PHE  86           H        PHE  86   9.402 -15.356   4.263
  677    HA   PHE  86           HA       PHE  86   7.604 -15.965   6.553
  678    HD1  PHE  86           HD2      PHE  86   9.257 -19.420   6.587
  679    HD2  PHE  86           HD1      PHE  86   5.274 -17.953   5.852
  680    HE1  PHE  86           HE2      PHE  86   8.344 -21.073   8.197
  681    HE2  PHE  86           HE1      PHE  86   4.374 -19.566   7.499
  682    HZ   PHE  86           HZ       PHE  86   5.904 -21.131   8.663
  683    HB2  PHE  86           HB2      PHE  86   7.120 -17.254   4.452
  684    HB3  PHE  86           HB3      PHE  86   8.719 -17.975   4.589
  685    H    SER  87           H        SER  87   8.664 -16.317   8.455
  686    HA   SER  87           HA       SER  87  11.638 -16.694   8.297
  687    HG   SER  87           HG       SER  87  10.864 -13.248   8.838
  688    HB2  SER  87           HB2      SER  87  10.038 -14.898  10.148
  689    HB3  SER  87           HB3      SER  87  11.803 -15.010  10.030
  690    H    ILE  88           H        ILE  88  12.662 -17.938   9.776
  691    HA   ILE  88           HA       ILE  88  11.095 -19.518  11.723
  692    HB   ILE  88           HB       ILE  88  14.073 -19.345  11.094
  693   HG12  ILE  88          HG12      ILE  88  12.298 -21.770  10.617
  694   HG13  ILE  88          HG13      ILE  88  12.339 -20.488   9.428
  695   HG21  ILE  88          HG21      ILE  88  12.575 -21.192  13.012
  696   HG22  ILE  88          HG22      ILE  88  14.277 -21.394  12.534
  697   HG23  ILE  88          HG23      ILE  88  13.786 -19.969  13.446
  698   HD11  ILE  88          HD13      ILE  88  14.791 -22.024  10.357
  699   HD12  ILE  88          HD11      ILE  88  13.916 -22.234   8.827
  700   HD13  ILE  88          HD12      ILE  88  14.753 -20.711   9.146
  701    H    VAL  89           H        VAL  89  10.857 -18.819  13.839
  702    HA   VAL  89           HA       VAL  89  12.484 -16.532  14.799
  703    HB   VAL  89           HB       VAL  89  10.534 -15.382  15.624
  704   HG11  VAL  89          HG11      VAL  89  10.069 -15.971  12.678
  705   HG12  VAL  89          HG12      VAL  89   9.568 -14.534  13.585
  706   HG13  VAL  89          HG13      VAL  89  11.291 -14.850  13.321
  707   HG21  VAL  89          HG23      VAL  89   8.219 -16.018  15.004
  708   HG22  VAL  89          HG21      VAL  89   8.824 -17.546  14.332
  709   HG23  VAL  89          HG22      VAL  89   8.983 -17.204  16.067
  710    H    TYR  90           H        TYR  90  12.155 -16.243  17.207
  711    HA   TYR  90           HA       TYR  90  11.890 -18.887  18.566
  712    HD1  TYR  90           HD2      TYR  90  14.834 -16.739  16.516
  713    HD2  TYR  90           HD1      TYR  90  14.509 -20.534  18.545
  714    HE1  TYR  90           HE2      TYR  90  16.082 -17.823  14.673
  715    HE2  TYR  90           HE1      TYR  90  15.801 -21.620  16.725
  716    HH   TYR  90           HH       TYR  90  16.880 -21.329  14.680
  717    HB2  TYR  90           HB2      TYR  90  14.149 -16.875  18.892
  718    HB3  TYR  90           HB3      TYR  90  14.003 -18.423  19.704
  719    H    SER  91           H        SER  91  10.735 -15.751  18.506
  720    HA   SER  91           HA       SER  91  10.861 -14.840  21.155
  721    HG   SER  91           HG       SER  91   9.892 -12.653  18.444
  722    HB2  SER  91           HB2      SER  91   8.574 -14.429  19.190
  723    HB3  SER  91           HB3      SER  91   9.095 -13.350  20.492
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -7.270 -12.860  -0.161
    2    H2   MET   1           H2       MET   1  -6.251 -13.434  -1.318
    3    H3   MET   1           H3       MET   1  -7.112 -14.468  -0.381
    4    HA   MET   1           HA       MET   1  -4.838 -14.434   0.379
    5    HB2  MET   1           HB2      MET   1  -5.382 -11.449   0.731
    6    HB3  MET   1           HB3      MET   1  -4.052 -12.304   1.503
    7    HG2  MET   1           HG2      MET   1  -4.477 -12.099  -1.499
    8    HG3  MET   1           HG3      MET   1  -3.364 -11.126  -0.557
    9    HE1  MET   1           HE3      MET   1  -1.715 -13.022   1.375
   10    HE2  MET   1           HE1      MET   1  -0.393 -13.360   0.240
   11    HE3  MET   1           HE2      MET   1  -1.132 -11.749   0.275
   12    H    LEU   2           H        LEU   2  -4.667 -15.250   2.428
   13    HA   LEU   2           HA       LEU   2  -6.603 -14.438   4.537
   14    HG   LEU   2           HG       LEU   2  -7.675 -16.419   2.204
   15    HB2  LEU   2           HB2      LEU   2  -5.889 -17.281   3.706
   16    HB3  LEU   2           HB3      LEU   2  -6.858 -16.855   5.104
   17   HD11  LEU   2          HD11      LEU   2  -9.217 -18.284   2.587
   18   HD12  LEU   2          HD12      LEU   2  -7.546 -18.802   2.853
   19   HD13  LEU   2          HD13      LEU   2  -8.606 -18.481   4.244
   20   HD21  LEU   2          HD23      LEU   2  -8.758 -14.776   3.650
   21   HD22  LEU   2          HD21      LEU   2  -9.935 -15.996   3.167
   22   HD23  LEU   2          HD22      LEU   2  -9.235 -16.044   4.802
   23    H    GLN   3           H        GLN   3  -5.869 -15.432   6.616
   24    HA   GLN   3           HA       GLN   3  -2.945 -15.951   6.834
   25    HB2  GLN   3           HB2      GLN   3  -3.634 -13.796   7.933
   26    HB3  GLN   3           HB3      GLN   3  -4.849 -14.676   8.844
   27    HG2  GLN   3           HG2      GLN   3  -3.070 -15.974   9.988
   28    HG3  GLN   3           HG3      GLN   3  -1.844 -15.087   9.089
   29   HE21  GLN   3          HE22      GLN   3  -1.540 -12.737   9.573
   30   HE22  GLN   3          HE21      GLN   3  -2.176 -12.092  11.074
   31    H    TYR   4           H        TYR   4  -2.537 -17.903   7.884
   32    HA   TYR   4           HA       TYR   4  -4.765 -19.367   9.223
   33    HD1  TYR   4           HD1      TYR   4  -5.573 -19.326   6.790
   34    HD2  TYR   4           HD2      TYR   4  -3.584 -23.130   7.189
   35    HE1  TYR   4           HE1      TYR   4  -7.189 -20.321   5.234
   36    HE2  TYR   4           HE2      TYR   4  -5.207 -24.141   5.621
   37    HH   TYR   4           HH       TYR   4  -7.106 -23.790   4.315
   38    HB2  TYR   4           HB2      TYR   4  -2.479 -20.435   7.528
   39    HB3  TYR   4           HB3      TYR   4  -3.208 -21.384   8.794
   40    H    ARG   5           H        ARG   5  -4.062 -20.455  11.130
   41    HA   ARG   5           HA       ARG   5  -1.269 -20.030  12.025
   42    HE   ARG   5           HE       ARG   5  -0.612 -19.638  17.417
   43    HB2  ARG   5           HB2      ARG   5  -3.003 -18.597  13.359
   44    HB3  ARG   5           HB3      ARG   5  -3.604 -20.143  13.971
   45    HG2  ARG   5           HG2      ARG   5  -1.142 -20.601  14.715
   46    HG3  ARG   5           HG3      ARG   5  -0.851 -18.891  14.315
   47    HD2  ARG   5           HD2      ARG   5  -2.869 -18.409  15.900
   48    HD3  ARG   5           HD3      ARG   5  -2.709 -20.092  16.407
   49   HH11  ARG   5          HH11      ARG   5  -2.005 -16.642  16.060
   50   HH12  ARG   5          HH12      ARG   5  -1.011 -15.615  17.024
   51   HH21  ARG   5          HH21      ARG   5   0.601 -18.359  18.638
   52   HH22  ARG   5          HH22      ARG   5   0.540 -16.608  18.568
   53    H    ILE   6           H        ILE   6  -0.410 -22.019  12.810
   54    HA   ILE   6           HA       ILE   6  -2.216 -24.378  12.736
   55    HB   ILE   6           HB       ILE   6   0.466 -24.215  11.331
   56   HG12  ILE   6          HG12      ILE   6  -2.207 -24.467   9.905
   57   HG13  ILE   6          HG13      ILE   6  -1.395 -22.919  10.116
   58   HG21  ILE   6          HG21      ILE   6  -0.166 -26.462  10.414
   59   HG22  ILE   6          HG22      ILE   6   0.011 -26.453  12.161
   60   HG23  ILE   6          HG23      ILE   6  -1.607 -26.439  11.442
   61   HD11  ILE   6          HD13      ILE   6  -0.863 -23.704   7.945
   62   HD12  ILE   6          HD11      ILE   6   0.604 -23.756   8.942
   63   HD13  ILE   6          HD12      ILE   6  -0.265 -25.257   8.558
   64    H    ILE   7           H        ILE   7  -1.610 -25.923  14.245
   65    HA   ILE   7           HA       ILE   7   0.815 -25.437  15.888
   66    HB   ILE   7           HB       ILE   7  -1.914 -26.237  16.968
   67   HG12  ILE   7          HG12      ILE   7  -2.060 -23.864  16.300
   68   HG13  ILE   7          HG13      ILE   7  -2.183 -24.096  18.026
   69   HG21  ILE   7          HG21      ILE   7  -0.101 -27.139  18.298
   70   HG22  ILE   7          HG22      ILE   7   0.702 -25.559  18.382
   71   HG23  ILE   7          HG23      ILE   7  -0.858 -25.819  19.197
   72   HD11  ILE   7          HD13      ILE   7   0.392 -23.225  16.663
   73   HD12  ILE   7          HD11      ILE   7  -0.814 -22.116  17.328
   74   HD13  ILE   7          HD12      ILE   7   0.049 -23.239  18.401
   75    H    VAL   8           H        VAL   8   1.879 -27.420  16.368
   76    HA   VAL   8           HA       VAL   8   0.633 -29.902  15.258
   77    HB   VAL   8           HB       VAL   8   3.530 -29.246  14.724
   78   HG11  VAL   8          HG11      VAL   8   1.451 -30.897  13.228
   79   HG12  VAL   8          HG12      VAL   8   3.161 -30.734  12.784
   80   HG13  VAL   8          HG13      VAL   8   2.720 -31.523  14.301
   81   HG21  VAL   8          HG23      VAL   8   3.045 -28.346  12.517
   82   HG22  VAL   8          HG21      VAL   8   1.298 -28.356  12.860
   83   HG23  VAL   8          HG22      VAL   8   2.403 -27.274  13.746
   84    H    ASP   9           H        ASP   9   1.307 -31.837  16.284
   85    HA   ASP   9           HA       ASP   9   3.283 -31.632  18.490
   86    HB2  ASP   9           HB2      ASP   9   0.954 -31.339  19.408
   87    HB3  ASP   9           HB3      ASP   9   0.526 -32.884  18.688
   88    H    GLY  10           H        GLY  10   4.117 -33.733  19.117
   89    HA2  GLY  10           HA2      GLY  10   3.884 -36.224  18.587
   90    HA3  GLY  10           HA3      GLY  10   4.125 -35.732  16.905
   91    H    ARG  11           H        ARG  11   6.037 -36.968  16.816
   92    HA   ARG  11           HA       ARG  11   8.482 -35.988  18.169
   93    HE   ARG  11           HE       ARG  11  11.482 -38.406  13.984
   94    HB2  ARG  11           HB2      ARG  11   8.372 -38.356  17.512
   95    HB3  ARG  11           HB3      ARG  11   7.981 -37.898  15.853
   96    HG2  ARG  11           HG2      ARG  11  10.215 -36.774  15.668
   97    HG3  ARG  11           HG3      ARG  11  10.620 -37.354  17.290
   98    HD2  ARG  11           HD2      ARG  11  10.667 -39.627  16.569
   99    HD3  ARG  11           HD3      ARG  11   9.686 -39.284  15.143
  100   HH11  ARG  11          HH11      ARG  11  12.609 -39.424  17.204
  101   HH12  ARG  11          HH12      ARG  11  14.277 -39.313  16.783
  102   HH21  ARG  11          HH21      ARG  11  13.577 -38.241  13.449
  103   HH22  ARG  11          HH22      ARG  11  14.866 -38.642  14.548
  104    H    VAL  12           H        VAL  12   7.981 -33.741  17.701
  105    HA   VAL  12           HA       VAL  12   8.459 -32.951  14.869
  106    HB   VAL  12           HB       VAL  12   6.705 -31.276  15.065
  107   HG11  VAL  12          HG11      VAL  12   4.766 -32.689  14.930
  108   HG12  VAL  12          HG12      VAL  12   6.143 -33.521  14.181
  109   HG13  VAL  12          HG13      VAL  12   5.577 -34.002  15.788
  110   HG21  VAL  12          HG23      VAL  12   5.090 -31.250  16.912
  111   HG22  VAL  12          HG21      VAL  12   6.029 -32.462  17.796
  112   HG23  VAL  12          HG22      VAL  12   6.706 -30.854  17.503
  113    H    GLN  13           H        GLN  13  10.232 -33.008  17.393
  114    HA   GLN  13           HA       GLN  13  11.228 -30.246  17.084
  115    HB2  GLN  13           HB2      GLN  13  11.095 -31.589  19.815
  116    HB3  GLN  13           HB3      GLN  13  11.609 -29.950  19.414
  117    HG2  GLN  13           HG2      GLN  13   9.143 -29.639  18.597
  118    HG3  GLN  13           HG3      GLN  13   8.798 -31.080  19.540
  119   HE21  GLN  13          HE22      GLN  13   8.664 -27.816  19.698
  120   HE22  GLN  13          HE21      GLN  13   8.931 -27.520  21.409
  121    H    GLY  14           H        GLY  14  13.475 -30.172  17.076
  122    HA2  GLY  14           HA2      GLY  14  15.635 -30.908  17.138
  123    HA3  GLY  14           HA3      GLY  14  15.157 -32.321  18.100
  124    H    VAL  15           H        VAL  15  13.751 -31.352  14.949
  125    HA   VAL  15           HA       VAL  15  14.990 -33.733  13.640
  126    HB   VAL  15           HB       VAL  15  12.726 -34.284  12.686
  127   HG11  VAL  15          HG11      VAL  15  12.938 -34.628  15.696
  128   HG12  VAL  15          HG12      VAL  15  12.023 -35.631  14.554
  129   HG13  VAL  15          HG13      VAL  15  13.789 -35.608  14.485
  130   HG21  VAL  15          HG23      VAL  15  11.469 -32.247  13.175
  131   HG22  VAL  15          HG21      VAL  15  10.710 -33.630  14.000
  132   HG23  VAL  15          HG22      VAL  15  11.689 -32.484  14.915
  133    H    GLY  16           H        GLY  16  14.057 -30.413  13.454
  134    HA2  GLY  16           HA2      GLY  16  15.130 -29.064  11.800
  135    HA3  GLY  16           HA3      GLY  16  14.919 -30.347  10.594
  136    H    PHE  17           H        PHE  17  12.354 -29.562  12.978
  137    HA   PHE  17           HA       PHE  17  10.475 -29.608  10.800
  138    HD1  PHE  17           HD1      PHE  17   7.808 -27.778  11.827
  139    HD2  PHE  17           HD2      PHE  17   8.705 -31.884  12.749
  140    HE1  PHE  17           HE1      PHE  17   5.543 -28.445  11.057
  141    HE2  PHE  17           HE2      PHE  17   6.442 -32.550  11.995
  142    HZ   PHE  17           HZ       PHE  17   4.856 -30.837  11.131
  143    HB2  PHE  17           HB2      PHE  17  10.223 -30.214  13.373
  144    HB3  PHE  17           HB3      PHE  17   9.714 -28.540  13.507
  145    H    ARG  18           H        ARG  18  11.810 -26.930  12.834
  146    HA   ARG  18           HA       ARG  18  10.365 -24.810  11.629
  147    HE   ARG  18           HE       ARG  18  12.790 -25.711  15.291
  148    HB2  ARG  18           HB2      ARG  18  13.137 -25.052  12.837
  149    HB3  ARG  18           HB3      ARG  18  12.637 -23.533  12.091
  150    HG2  ARG  18           HG2      ARG  18  10.843 -23.198  13.576
  151    HG3  ARG  18           HG3      ARG  18  10.861 -24.863  14.159
  152    HD2  ARG  18           HD2      ARG  18  13.228 -22.994  14.576
  153    HD3  ARG  18           HD3      ARG  18  11.839 -23.019  15.675
  154   HH11  ARG  18          HH21      ARG  18  13.645 -22.675  16.973
  155   HH12  ARG  18          HH22      ARG  18  14.375 -23.478  18.317
  156   HH21  ARG  18          HH11      ARG  18  13.769 -26.756  17.028
  157   HH22  ARG  18          HH12      ARG  18  14.480 -25.848  18.343
  158    H    TYR  19           H        TYR  19  13.438 -26.309  10.440
  159    HA   TYR  19           HA       TYR  19  13.655 -24.523   8.219
  160    HD1  TYR  19           HD2      TYR  19  16.240 -23.989   7.597
  161    HD2  TYR  19           HD1      TYR  19  15.936 -26.691  10.952
  162    HE1  TYR  19           HE2      TYR  19  17.908 -22.638   8.831
  163    HE2  TYR  19           HE1      TYR  19  17.599 -25.349  12.192
  164    HH   TYR  19           HH       TYR  19  18.996 -23.482  12.155
  165    HB2  TYR  19           HB2      TYR  19  14.866 -27.245   8.840
  166    HB3  TYR  19           HB3      TYR  19  15.239 -26.328   7.398
  167    H    PHE  20           H        PHE  20  12.251 -27.825   8.554
  168    HA   PHE  20           HA       PHE  20  11.555 -28.206   5.849
  169    HD1  PHE  20           HD1      PHE  20  10.496 -30.666   5.032
  170    HD2  PHE  20           HD2      PHE  20   7.949 -29.289   8.233
  171    HE1  PHE  20           HE1      PHE  20   8.520 -31.643   3.889
  172    HE2  PHE  20           HE2      PHE  20   5.974 -30.233   7.062
  173    HZ   PHE  20           HZ       PHE  20   6.258 -31.432   4.906
  174    HB2  PHE  20           HB2      PHE  20  11.384 -30.023   7.400
  175    HB3  PHE  20           HB3      PHE  20  10.304 -29.133   8.458
  176    H    VAL  21           H        VAL  21   9.578 -26.694   8.484
  177    HA   VAL  21           HA       VAL  21   7.404 -26.013   6.794
  178    HB   VAL  21           HB       VAL  21   8.424 -24.836   9.409
  179   HG11  VAL  21          HG11      VAL  21   5.726 -24.409   8.072
  180   HG12  VAL  21          HG12      VAL  21   6.176 -23.865   9.700
  181   HG13  VAL  21          HG13      VAL  21   6.971 -23.159   8.291
  182   HG21  VAL  21          HG23      VAL  21   7.630 -27.229   9.471
  183   HG22  VAL  21          HG21      VAL  21   6.585 -26.148  10.400
  184   HG23  VAL  21          HG22      VAL  21   6.090 -26.712   8.791
  185    H    GLN  22           H        GLN  22  10.422 -24.177   7.582
  186    HA   GLN  22           HA       GLN  22   9.706 -21.802   6.251
  187    HB2  GLN  22           HB2      GLN  22  11.698 -22.363   7.800
  188    HB3  GLN  22           HB3      GLN  22  12.535 -22.930   6.362
  189    HG2  GLN  22           HG2      GLN  22  11.450 -20.124   6.865
  190    HG3  GLN  22           HG3      GLN  22  13.120 -20.615   7.056
  191   HE21  GLN  22          HE22      GLN  22  11.798 -18.550   5.257
  192   HE22  GLN  22          HE21      GLN  22  12.429 -18.939   3.671
  193    H    MET  23           H        MET  23  11.287 -24.788   4.975
  194    HA   MET  23           HA       MET  23  11.559 -23.669   2.320
  195    HB2  MET  23           HB2      MET  23  11.744 -26.526   3.384
  196    HB3  MET  23           HB3      MET  23  12.089 -26.069   1.710
  197    HG2  MET  23           HG2      MET  23  13.837 -24.506   2.471
  198    HG3  MET  23           HG3      MET  23  13.557 -24.975   4.143
  199    HE1  MET  23           HE3      MET  23  14.273 -27.236   5.223
  200    HE2  MET  23           HE1      MET  23  13.248 -28.150   4.090
  201    HE3  MET  23           HE2      MET  23  14.944 -28.615   4.328
  202    H    GLU  24           H        GLU  24   8.997 -25.711   3.881
  203    HA   GLU  24           HA       GLU  24   7.599 -26.187   1.418
  204    HB2  GLU  24           HB2      GLU  24   6.734 -26.142   4.344
  205    HB3  GLU  24           HB3      GLU  24   5.630 -26.512   3.028
  206    HG2  GLU  24           HG2      GLU  24   8.122 -28.098   3.749
  207    HG3  GLU  24           HG3      GLU  24   6.449 -28.564   4.036
  208    H    ALA  25           H        ALA  25   7.454 -23.544   3.841
  209    HA   ALA  25           HA       ALA  25   5.328 -22.104   2.579
  210    HB1  ALA  25           HB3      ALA  25   7.653 -21.132   4.300
  211    HB2  ALA  25           HB1      ALA  25   6.234 -20.173   3.851
  212    HB3  ALA  25           HB2      ALA  25   6.043 -21.604   4.879
  213    H    ASP  26           H        ASP  26   8.914 -21.970   2.219
  214    HA   ASP  26           HA       ASP  26   9.047 -19.901   0.321
  215    HB2  ASP  26           HB2      ASP  26  11.017 -20.945   1.507
  216    HB3  ASP  26           HB3      ASP  26  10.827 -22.367   0.502
  217    H    LYS  27           H        LYS  27   8.703 -23.436  -0.172
  218    HA   LYS  27           HA       LYS  27   8.663 -23.443  -2.983
  219    HB2  LYS  27           HB2      LYS  27   9.014 -25.415  -1.687
  220    HB3  LYS  27           HB3      LYS  27   7.457 -25.303  -0.904
  221    HG2  LYS  27           HG2      LYS  27   7.633 -25.637  -3.916
  222    HG3  LYS  27           HG3      LYS  27   7.927 -27.011  -2.869
  223    HD2  LYS  27           HD2      LYS  27   5.348 -25.402  -2.976
  224    HD3  LYS  27           HD3      LYS  27   5.607 -26.986  -3.674
  225    HE2  LYS  27           HE2      LYS  27   5.717 -26.345  -0.683
  226    HE3  LYS  27           HE3      LYS  27   4.344 -27.057  -1.515
  227    HZ1  LYS  27           HZ3      LYS  27   5.813 -28.653  -0.367
  228    HZ2  LYS  27           HZ1      LYS  27   5.600 -29.013  -1.961
  229    HZ3  LYS  27           HZ2      LYS  27   7.005 -28.350  -1.431
  230    H    ARG  28           H        ARG  28   5.949 -22.937  -0.704
  231    HA   ARG  28           HA       ARG  28   4.109 -22.492  -2.965
  232    HE   ARG  28           HE       ARG  28   1.812 -22.531  -3.124
  233    HB2  ARG  28           HB2      ARG  28   3.811 -22.457   0.073
  234    HB3  ARG  28           HB3      ARG  28   2.531 -21.930  -0.990
  235    HG2  ARG  28           HG2      ARG  28   3.644 -24.715  -0.737
  236    HG3  ARG  28           HG3      ARG  28   2.032 -24.140  -0.342
  237    HD2  ARG  28           HD2      ARG  28   3.216 -24.631  -3.090
  238    HD3  ARG  28           HD3      ARG  28   1.848 -25.422  -2.320
  239   HH11  ARG  28          HH11      ARG  28   0.215 -25.742  -3.302
  240   HH12  ARG  28          HH12      ARG  28  -1.159 -25.090  -4.134
  241   HH21  ARG  28          HH21      ARG  28   0.025 -21.832  -4.442
  242   HH22  ARG  28          HH22      ARG  28  -1.256 -22.961  -4.767
  243    H    LYS  29           H        LYS  29   6.473 -20.541  -1.686
  244    HA   LYS  29           HA       LYS  29   6.830 -18.370  -1.410
  245    HB2  LYS  29           HB2      LYS  29   4.877 -18.003  -3.724
  246    HB3  LYS  29           HB3      LYS  29   6.036 -16.823  -3.124
  247    HG2  LYS  29           HG2      LYS  29   7.253 -17.639  -4.865
  248    HG3  LYS  29           HG3      LYS  29   7.832 -18.689  -3.576
  249    HD2  LYS  29           HD2      LYS  29   5.975 -20.350  -4.401
  250    HD3  LYS  29           HD3      LYS  29   5.861 -19.309  -5.818
  251    HE2  LYS  29           HE2      LYS  29   8.206 -19.712  -6.361
  252    HE3  LYS  29           HE3      LYS  29   8.467 -20.531  -4.812
  253    HZ1  LYS  29           HZ3      LYS  29   6.963 -22.273  -5.517
  254    HZ2  LYS  29           HZ1      LYS  29   6.712 -21.543  -6.970
  255    HZ3  LYS  29           HZ2      LYS  29   8.189 -22.124  -6.596
  256    H    LEU  30           H        LEU  30   5.088 -19.389   0.455
  257    HA   LEU  30           HA       LEU  30   2.930 -17.474   1.014
  258    HG   LEU  30           HG       LEU  30   2.662 -20.465   0.897
  259    HB2  LEU  30           HB2      LEU  30   4.329 -19.669   2.606
  260    HB3  LEU  30           HB3      LEU  30   3.085 -18.641   3.295
  261   HD11  LEU  30          HD11      LEU  30   3.051 -21.767   2.932
  262   HD12  LEU  30          HD12      LEU  30   1.845 -20.810   3.809
  263   HD13  LEU  30          HD13      LEU  30   1.347 -21.849   2.459
  264   HD21  LEU  30          HD23      LEU  30   0.219 -20.051   1.434
  265   HD22  LEU  30          HD21      LEU  30   0.741 -18.762   2.526
  266   HD23  LEU  30          HD22      LEU  30   1.082 -18.656   0.780
  267    H    ALA  31           H        ALA  31   3.047 -16.219   3.060
  268    HA   ALA  31           HA       ALA  31   5.794 -15.394   3.882
  269    HB1  ALA  31           HB3      ALA  31   4.659 -13.516   2.688
  270    HB2  ALA  31           HB1      ALA  31   3.296 -13.640   3.832
  271    HB3  ALA  31           HB2      ALA  31   4.908 -13.189   4.410
  272    H    GLY  32           H        GLY  32   5.762 -14.757   6.283
  273    HA2  GLY  32           HA2      GLY  32   3.966 -14.960   8.231
  274    HA3  GLY  32           HA3      GLY  32   4.005 -16.649   7.719
  275    H    TRP  33           H        TRP  33   4.772 -17.288   9.786
  276    HA   TRP  33           HA       TRP  33   7.600 -17.437   9.768
  277    HD1  TRP  33           HD1      TRP  33   6.059 -17.176  14.003
  278    HE1  TRP  33           HE1      TRP  33   4.130 -15.804  14.948
  279    HE3  TRP  33           HE3      TRP  33   5.696 -13.654  10.297
  280    HZ2  TRP  33           HZ2      TRP  33   2.624 -13.429  14.209
  281    HZ3  TRP  33           HZ3      TRP  33   3.973 -11.878  10.425
  282    HH2  TRP  33           HH2      TRP  33   2.440 -11.749  12.377
  283    HB2  TRP  33           HB2      TRP  33   7.928 -16.647  12.149
  284    HB3  TRP  33           HB3      TRP  33   7.572 -15.386  10.996
  285    H    VAL  34           H        VAL  34   8.431 -18.881  11.549
  286    HA   VAL  34           HA       VAL  34   6.405 -20.711  12.700
  287    HB   VAL  34           HB       VAL  34   7.138 -21.750  10.614
  288   HG11  VAL  34          HG11      VAL  34   9.411 -22.464  10.162
  289   HG12  VAL  34          HG12      VAL  34   9.395 -20.706  10.360
  290   HG13  VAL  34          HG13      VAL  34   9.993 -21.738  11.669
  291   HG21  VAL  34          HG23      VAL  34   8.421 -23.202  12.966
  292   HG22  VAL  34          HG21      VAL  34   6.686 -23.168  12.621
  293   HG23  VAL  34          HG22      VAL  34   7.806 -23.917  11.474
  294    H    LYS  35           H        LYS  35   7.006 -21.572  14.690
  295    HA   LYS  35           HA       LYS  35   9.780 -21.299  15.576
  296    HB2  LYS  35           HB2      LYS  35   9.226 -20.380  17.752
  297    HB3  LYS  35           HB3      LYS  35   8.753 -19.260  16.485
  298    HG2  LYS  35           HG2      LYS  35   6.397 -19.872  16.726
  299    HG3  LYS  35           HG3      LYS  35   6.807 -21.140  17.900
  300    HD2  LYS  35           HD2      LYS  35   7.673 -19.476  19.473
  301    HD3  LYS  35           HD3      LYS  35   7.364 -18.170  18.303
  302    HE2  LYS  35           HE2      LYS  35   4.972 -18.586  18.367
  303    HE3  LYS  35           HE3      LYS  35   5.190 -20.031  19.353
  304    HZ1  LYS  35           HZ3      LYS  35   5.898 -17.298  20.265
  305    HZ2  LYS  35           HZ1      LYS  35   4.488 -18.079  20.621
  306    HZ3  LYS  35           HZ2      LYS  35   5.908 -18.665  21.171
  307    H    ASN  36           H        ASN  36  10.070 -22.692  17.604
  308    HA   ASN  36           HA       ASN  36   8.116 -24.931  17.618
  309    HB2  ASN  36           HB2      ASN  36  10.387 -25.289  16.313
  310    HB3  ASN  36           HB3      ASN  36  11.054 -25.529  17.932
  311   HD21  ASN  36          HD22      ASN  36  11.007 -27.617  15.939
  312   HD22  ASN  36          HD21      ASN  36   9.769 -28.780  16.387
  313    H    ARG  37           H        ARG  37   7.241 -24.991  19.591
  314    HA   ARG  37           HA       ARG  37   8.111 -22.901  21.370
  315    HE   ARG  37           HE       ARG  37   3.087 -21.885  20.240
  316    HB2  ARG  37           HB2      ARG  37   5.954 -25.030  21.659
  317    HB3  ARG  37           HB3      ARG  37   6.094 -23.563  22.632
  318    HG2  ARG  37           HG2      ARG  37   5.401 -22.164  20.837
  319    HG3  ARG  37           HG3      ARG  37   5.540 -23.479  19.633
  320    HD2  ARG  37           HD2      ARG  37   3.677 -24.619  20.416
  321    HD3  ARG  37           HD3      ARG  37   3.845 -23.982  22.056
  322   HH11  ARG  37          HH21      ARG  37   1.890 -24.540  22.324
  323   HH12  ARG  37          HH22      ARG  37   0.273 -23.918  22.371
  324   HH21  ARG  37          HH11      ARG  37   0.942 -21.139  20.233
  325   HH22  ARG  37          HH12      ARG  37  -0.263 -21.906  21.219
  326    H    ASP  38           H        ASP  38   8.710 -23.065  23.590
  327    HA   ASP  38           HA       ASP  38   9.997 -25.427  24.620
  328    HB2  ASP  38           HB2      ASP  38  10.495 -23.190  25.476
  329    HB3  ASP  38           HB3      ASP  38   8.822 -22.986  26.004
  330    H    ASP  39           H        ASP  39   6.680 -24.262  24.588
  331    HA   ASP  39           HA       ASP  39   5.429 -26.053  26.381
  332    HB2  ASP  39           HB2      ASP  39   4.132 -24.266  25.742
  333    HB3  ASP  39           HB3      ASP  39   4.634 -24.331  24.072
  334    H    GLY  40           H        GLY  40   7.010 -26.789  23.394
  335    HA2  GLY  40           HA2      GLY  40   7.636 -28.991  23.005
  336    HA3  GLY  40           HA3      GLY  40   6.152 -29.594  23.739
  337    H    ARG  41           H        ARG  41   4.984 -27.231  21.824
  338    HA   ARG  41           HA       ARG  41   4.468 -29.081  19.549
  339    HE   ARG  41           HE       ARG  41   1.613 -27.080  22.725
  340    HB2  ARG  41           HB2      ARG  41   2.919 -26.753  20.772
  341    HB3  ARG  41           HB3      ARG  41   2.473 -27.510  19.242
  342    HG2  ARG  41           HG2      ARG  41   2.217 -29.682  20.311
  343    HG3  ARG  41           HG3      ARG  41   2.755 -29.051  21.869
  344    HD2  ARG  41           HD2      ARG  41   0.291 -28.013  20.420
  345    HD3  ARG  41           HD3      ARG  41   0.262 -29.345  21.591
  346   HH11  ARG  41          HH21      ARG  41  -1.693 -28.058  21.833
  347   HH12  ARG  41          HH22      ARG  41  -2.434 -27.207  23.137
  348   HH21  ARG  41          HH11      ARG  41   0.676 -26.144  24.532
  349   HH22  ARG  41          HH12      ARG  41  -1.055 -26.030  24.689
  350    H    VAL  42           H        VAL  42   4.333 -28.116  17.430
  351    HA   VAL  42           HA       VAL  42   6.251 -25.878  17.030
  352    HB   VAL  42           HB       VAL  42   4.663 -27.228  14.824
  353   HG11  VAL  42          HG11      VAL  42   5.963 -25.182  14.279
  354   HG12  VAL  42          HG12      VAL  42   7.442 -25.972  14.862
  355   HG13  VAL  42          HG13      VAL  42   6.584 -26.597  13.437
  356   HG21  VAL  42          HG23      VAL  42   5.694 -29.129  15.940
  357   HG22  VAL  42          HG21      VAL  42   6.520 -28.812  14.424
  358   HG23  VAL  42          HG22      VAL  42   7.272 -28.314  15.951
  359    H    GLU  43           H        GLU  43   5.492 -23.877  16.215
  360    HA   GLU  43           HA       GLU  43   2.561 -23.573  15.864
  361    HB2  GLU  43           HB2      GLU  43   2.965 -22.844  18.079
  362    HB3  GLU  43           HB3      GLU  43   4.402 -21.916  17.624
  363    HG2  GLU  43           HG2      GLU  43   3.107 -20.222  16.555
  364    HG3  GLU  43           HG3      GLU  43   1.662 -21.240  16.499
  365    H    ILE  44           H        ILE  44   2.044 -22.408  14.120
  366    HA   ILE  44           HA       ILE  44   4.173 -21.056  12.560
  367    HB   ILE  44           HB       ILE  44   2.010 -22.727  11.289
  368   HG12  ILE  44          HG12      ILE  44   4.640 -23.966  12.189
  369   HG13  ILE  44          HG13      ILE  44   3.033 -24.383  12.781
  370   HG21  ILE  44          HG21      ILE  44   3.607 -22.821   9.422
  371   HG22  ILE  44          HG22      ILE  44   3.377 -21.158   9.932
  372   HG23  ILE  44          HG23      ILE  44   4.835 -22.032  10.436
  373   HD11  ILE  44          HD13      ILE  44   4.097 -24.922   9.992
  374   HD12  ILE  44          HD11      ILE  44   3.682 -26.080  11.256
  375   HD13  ILE  44          HD12      ILE  44   2.404 -25.130  10.467
  376    H    LEU  45           H        LEU  45   3.353 -19.286  11.373
  377    HA   LEU  45           HA       LEU  45   0.437 -18.895  11.236
  378    HG   LEU  45           HG       LEU  45  -0.581 -16.701  11.479
  379    HB2  LEU  45           HB2      LEU  45   1.224 -17.560  13.160
  380    HB3  LEU  45           HB3      LEU  45   2.394 -16.727  12.139
  381   HD11  LEU  45          HD11      LEU  45   0.847 -14.807  13.375
  382   HD12  LEU  45          HD12      LEU  45  -0.811 -14.618  12.768
  383   HD13  LEU  45          HD13      LEU  45  -0.404 -15.989  13.806
  384   HD21  LEU  45          HD23      LEU  45   0.064 -14.399  10.558
  385   HD22  LEU  45          HD21      LEU  45   1.752 -14.809  10.878
  386   HD23  LEU  45          HD22      LEU  45   0.803 -15.739   9.700
  387    H    ALA  46           H        ALA  46  -0.039 -18.453   9.097
  388    HA   ALA  46           HA       ALA  46   2.197 -17.740   7.274
  389    HB1  ALA  46           HB3      ALA  46   1.563 -19.576   5.773
  390    HB2  ALA  46           HB1      ALA  46   2.105 -20.199   7.341
  391    HB3  ALA  46           HB2      ALA  46   0.367 -20.156   6.953
  392    H    GLU  47           H        GLU  47   1.478 -16.853   5.285
  393    HA   GLU  47           HA       GLU  47  -1.342 -15.933   5.201
  394    HB2  GLU  47           HB2      GLU  47   1.142 -14.171   4.961
  395    HB3  GLU  47           HB3      GLU  47  -0.553 -13.662   4.868
  396    HG2  GLU  47           HG2      GLU  47  -0.837 -14.550   7.221
  397    HG3  GLU  47           HG3      GLU  47   0.924 -14.732   7.314
  398    H    GLY  48           H        GLY  48  -2.148 -15.846   3.117
  399    HA2  GLY  48           HA2      GLY  48  -0.760 -15.539   0.695
  400    HA3  GLY  48           HA3      GLY  48  -0.604 -17.236   1.134
  401    HA   PRO  49           HA       PRO  49  -4.743 -16.891  -0.923
  402    HB2  PRO  49           HB2      PRO  49  -4.296 -18.550  -3.051
  403    HB3  PRO  49           HB3      PRO  49  -3.906 -16.803  -3.082
  404    HG2  PRO  49           HG2      PRO  49  -2.042 -19.122  -2.559
  405    HG3  PRO  49           HG3      PRO  49  -1.778 -17.711  -3.626
  406    HD2  PRO  49           HD2      PRO  49  -0.782 -17.857  -1.065
  407    HD3  PRO  49           HD3      PRO  49  -1.277 -16.310  -1.813
  408    H    GLU  50           H        GLU  50  -6.291 -18.617  -0.951
  409    HA   GLU  50           HA       GLU  50  -6.056 -20.318   1.245
  410    HB2  GLU  50           HB2      GLU  50  -8.159 -19.435   0.247
  411    HB3  GLU  50           HB3      GLU  50  -7.969 -20.546  -1.116
  412    HG2  GLU  50           HG2      GLU  50  -8.103 -22.474   0.467
  413    HG3  GLU  50           HG3      GLU  50  -8.282 -21.348   1.813
  414    H    ASN  51           H        ASN  51  -5.705 -21.179  -2.259
  415    HA   ASN  51           HA       ASN  51  -5.435 -23.967  -1.844
  416    HB2  ASN  51           HB2      ASN  51  -5.797 -23.068  -4.081
  417    HB3  ASN  51           HB3      ASN  51  -4.271 -22.175  -4.021
  418   HD21  ASN  51          HD22      ASN  51  -5.625 -25.528  -4.035
  419   HD22  ASN  51          HD21      ASN  51  -4.187 -26.260  -4.690
  420    H    ALA  52           H        ALA  52  -2.995 -21.401  -1.674
  421    HA   ALA  52           HA       ALA  52  -0.729 -23.198  -1.463
  422    HB1  ALA  52           HB3      ALA  52  -1.051 -20.276  -0.632
  423    HB2  ALA  52           HB1      ALA  52   0.474 -21.163  -0.709
  424    HB3  ALA  52           HB2      ALA  52  -0.433 -20.852  -2.197
  425    H    LEU  53           H        LEU  53  -2.750 -21.382   0.893
  426    HA   LEU  53           HA       LEU  53  -1.317 -22.310   3.177
  427    HG   LEU  53           HG       LEU  53  -2.172 -19.657   2.374
  428    HB2  LEU  53           HB2      LEU  53  -4.148 -21.265   2.797
  429    HB3  LEU  53           HB3      LEU  53  -3.432 -21.582   4.370
  430   HD11  LEU  53          HD11      LEU  53  -3.173 -17.851   3.700
  431   HD12  LEU  53          HD12      LEU  53  -4.406 -18.869   2.947
  432   HD13  LEU  53          HD13      LEU  53  -4.048 -19.038   4.684
  433   HD21  LEU  53          HD23      LEU  53  -0.615 -20.479   4.114
  434   HD22  LEU  53          HD21      LEU  53  -1.009 -18.778   4.354
  435   HD23  LEU  53          HD22      LEU  53  -1.774 -20.010   5.374
  436    H    GLN  54           H        GLN  54  -4.188 -23.679   1.479
  437    HA   GLN  54           HA       GLN  54  -4.651 -25.836   3.273
  438    HB2  GLN  54           HB2      GLN  54  -5.109 -25.460   0.283
  439    HB3  GLN  54           HB3      GLN  54  -5.591 -26.922   1.141
  440    HG2  GLN  54           HG2      GLN  54  -7.052 -25.671   2.623
  441    HG3  GLN  54           HG3      GLN  54  -6.605 -24.147   1.868
  442   HE21  GLN  54          HE22      GLN  54  -9.137 -26.143   1.985
  443   HE22  GLN  54          HE21      GLN  54  -9.728 -26.051   0.345
  444    H    SER  55           H        SER  55  -2.624 -25.705   0.253
  445    HA   SER  55           HA       SER  55  -1.762 -28.400   0.451
  446    HG   SER  55           HG       SER  55  -2.262 -26.053  -1.676
  447    HB2  SER  55           HB2      SER  55  -0.243 -26.039  -0.753
  448    HB3  SER  55           HB3      SER  55  -0.037 -27.753  -1.155
  449    H    PHE  56           H        PHE  56  -0.369 -25.395   1.785
  450    HA   PHE  56           HA       PHE  56   1.989 -26.478   2.895
  451    HD1  PHE  56           HD2      PHE  56   3.909 -24.791   3.554
  452    HD2  PHE  56           HD1      PHE  56   0.528 -23.429   5.868
  453    HE1  PHE  56           HE2      PHE  56   5.439 -23.910   5.297
  454    HE2  PHE  56           HE1      PHE  56   2.068 -22.517   7.574
  455    HZ   PHE  56           HZ       PHE  56   4.525 -22.691   7.254
  456    HB2  PHE  56           HB2      PHE  56   1.566 -24.127   2.547
  457    HB3  PHE  56           HB3      PHE  56   0.205 -24.138   3.656
  458    H    VAL  57           H        VAL  57  -1.371 -26.164   4.301
  459    HA   VAL  57           HA       VAL  57  -0.716 -27.353   6.798
  460    HB   VAL  57           HB       VAL  57  -3.305 -27.117   5.238
  461   HG11  VAL  57          HG11      VAL  57  -3.566 -29.209   6.486
  462   HG12  VAL  57          HG12      VAL  57  -2.974 -28.428   7.970
  463   HG13  VAL  57          HG13      VAL  57  -4.518 -27.933   7.236
  464   HG21  VAL  57          HG23      VAL  57  -3.909 -25.593   7.026
  465   HG22  VAL  57          HG21      VAL  57  -2.437 -25.987   7.925
  466   HG23  VAL  57          HG22      VAL  57  -2.330 -25.103   6.387
  467    H    GLU  58           H        GLU  58  -1.780 -28.879   3.674
  468    HA   GLU  58           HA       GLU  58  -1.880 -31.516   4.648
  469    HB2  GLU  58           HB2      GLU  58  -1.097 -30.617   1.850
  470    HB3  GLU  58           HB3      GLU  58  -1.471 -32.267   2.336
  471    HG2  GLU  58           HG2      GLU  58  -3.750 -31.423   3.108
  472    HG3  GLU  58           HG3      GLU  58  -3.367 -29.904   2.293
  473    H    ALA  59           H        ALA  59   0.900 -29.685   3.452
  474    HA   ALA  59           HA       ALA  59   2.794 -31.832   3.601
  475    HB1  ALA  59           HB3      ALA  59   3.198 -29.776   2.289
  476    HB2  ALA  59           HB1      ALA  59   3.286 -28.826   3.790
  477    HB3  ALA  59           HB2      ALA  59   4.497 -30.076   3.458
  478    H    VAL  60           H        VAL  60   1.877 -29.237   5.924
  479    HA   VAL  60           HA       VAL  60   3.713 -30.022   7.960
  480    HB   VAL  60           HB       VAL  60   1.138 -28.402   8.026
  481   HG11  VAL  60          HG11      VAL  60   3.243 -28.730  10.207
  482   HG12  VAL  60          HG12      VAL  60   1.926 -27.535  10.213
  483   HG13  VAL  60          HG13      VAL  60   1.556 -29.254  10.310
  484   HG21  VAL  60          HG23      VAL  60   4.067 -27.550   8.226
  485   HG22  VAL  60          HG21      VAL  60   3.131 -27.448   6.740
  486   HG23  VAL  60          HG22      VAL  60   2.650 -26.481   8.134
  487    H    LYS  61           H        LYS  61   0.468 -31.342   7.106
  488    HA   LYS  61           HA       LYS  61   0.106 -32.811   9.501
  489    HB2  LYS  61           HB2      LYS  61  -0.581 -33.920   6.754
  490    HB3  LYS  61           HB3      LYS  61  -1.262 -34.355   8.322
  491    HG2  LYS  61           HG2      LYS  61  -2.216 -32.015   8.465
  492    HG3  LYS  61           HG3      LYS  61  -1.705 -31.800   6.777
  493    HD2  LYS  61           HD2      LYS  61  -3.084 -33.731   6.098
  494    HD3  LYS  61           HD3      LYS  61  -3.594 -33.961   7.786
  495    HE2  LYS  61           HE2      LYS  61  -4.573 -31.663   7.784
  496    HE3  LYS  61           HE3      LYS  61  -4.112 -31.476   6.087
  497    HZ1  LYS  61           HZ3      LYS  61  -5.588 -33.340   5.557
  498    HZ2  LYS  61           HZ1      LYS  61  -6.013 -33.501   7.127
  499    HZ3  LYS  61           HZ2      LYS  61  -6.418 -32.156   6.306
  500    H    ASN  62           H        ASN  62   2.196 -33.510   6.676
  501    HA   ASN  62           HA       ASN  62   2.936 -36.128   7.672
  502    HB2  ASN  62           HB2      ASN  62   3.024 -35.509   5.239
  503    HB3  ASN  62           HB3      ASN  62   4.363 -34.412   5.595
  504   HD21  ASN  62          HD22      ASN  62   6.477 -35.347   6.145
  505   HD22  ASN  62          HD21      ASN  62   6.778 -37.050   5.881
  506    H    GLY  63           H        GLY  63   4.342 -32.870   7.629
  507    HA2  GLY  63           HA2      GLY  63   5.970 -31.901   9.003
  508    HA3  GLY  63           HA3      GLY  63   6.140 -33.423   9.893
  509    H    SER  64           H        SER  64   8.514 -32.607   9.503
  510    HA   SER  64           HA       SER  64   9.695 -32.871   6.954
  511    HG   SER  64           HG       SER  64  10.222 -32.415  10.487
  512    HB2  SER  64           HB2      SER  64  11.449 -33.595   9.207
  513    HB3  SER  64           HB3      SER  64  11.592 -32.285   8.035
  514    HA   PRO  65           HA       PRO  65  10.167 -37.254   6.267
  515    HB2  PRO  65           HB2      PRO  65  13.149 -36.769   6.123
  516    HB3  PRO  65           HB3      PRO  65  12.108 -37.711   5.010
  517    HG2  PRO  65           HG2      PRO  65  12.902 -35.207   4.344
  518    HG3  PRO  65           HG3      PRO  65  11.208 -35.718   4.049
  519    HD2  PRO  65           HD2      PRO  65  12.297 -34.038   6.314
  520    HD3  PRO  65           HD3      PRO  65  10.805 -33.818   5.349
  521    H    PHE  66           H        PHE  66  12.361 -35.755   8.609
  522    HA   PHE  66           HA       PHE  66  12.912 -38.252  10.025
  523    HD1  PHE  66           HD2      PHE  66  15.461 -38.490   9.559
  524    HD2  PHE  66           HD1      PHE  66  14.721 -34.278   8.963
  525    HE1  PHE  66           HE2      PHE  66  17.127 -38.452   7.719
  526    HE2  PHE  66           HE1      PHE  66  16.382 -34.250   7.122
  527    HZ   PHE  66           HZ       PHE  66  17.588 -36.335   6.495
  528    HB2  PHE  66           HB2      PHE  66  13.653 -35.395  10.750
  529    HB3  PHE  66           HB3      PHE  66  14.379 -36.865  11.381
  530    H    SER  67           H        SER  67  10.253 -36.128  10.111
  531    HA   SER  67           HA       SER  67   9.903 -36.130  13.039
  532    HG   SER  67           HG       SER  67  10.499 -33.996  11.995
  533    HB2  SER  67           HB2      SER  67   8.107 -34.975  10.871
  534    HB3  SER  67           HB3      SER  67   8.172 -34.533  12.583
  535    H    LYS  68           H        LYS  68   7.676 -36.662  13.812
  536    HA   LYS  68           HA       LYS  68   5.973 -38.247  12.061
  537    HB2  LYS  68           HB2      LYS  68   7.460 -39.928  13.198
  538    HB3  LYS  68           HB3      LYS  68   6.784 -39.453  14.750
  539    HG2  LYS  68           HG2      LYS  68   4.977 -40.296  12.456
  540    HG3  LYS  68           HG3      LYS  68   5.832 -41.515  13.394
  541    HD2  LYS  68           HD2      LYS  68   4.760 -40.900  15.439
  542    HD3  LYS  68           HD3      LYS  68   4.020 -39.470  14.736
  543    HE2  LYS  68           HE2      LYS  68   3.409 -42.321  13.853
  544    HE3  LYS  68           HE3      LYS  68   2.464 -41.407  15.030
  545    HZ1  LYS  68           HZ3      LYS  68   2.804 -40.715  12.176
  546    HZ2  LYS  68           HZ1      LYS  68   1.434 -41.187  12.916
  547    HZ3  LYS  68           HZ2      LYS  68   2.085 -39.722  13.266
  548    H    VAL  69           H        VAL  69   4.531 -36.595  12.111
  549    HA   VAL  69           HA       VAL  69   3.684 -35.156  14.464
  550    HB   VAL  69           HB       VAL  69   2.420 -35.637  11.731
  551   HG11  VAL  69          HG11      VAL  69   1.114 -33.541  12.178
  552   HG12  VAL  69          HG12      VAL  69   0.649 -34.887  13.218
  553   HG13  VAL  69          HG13      VAL  69   1.677 -33.591  13.862
  554   HG21  VAL  69          HG23      VAL  69   4.604 -34.460  11.585
  555   HG22  VAL  69          HG21      VAL  69   3.270 -33.398  11.159
  556   HG23  VAL  69          HG22      VAL  69   4.025 -33.253  12.753
  557    H    THR  70           H        THR  70   1.939 -35.629  15.840
  558    HA   THR  70           HA       THR  70   0.406 -38.137  15.331
  559    HB   THR  70           HB       THR  70   0.285 -38.367  17.796
  560    HG1  THR  70           HG1      THR  70   0.655 -36.387  18.609
  561   HG21  THR  70          HG23      THR  70   2.082 -39.541  16.540
  562   HG22  THR  70          HG21      THR  70   3.161 -38.148  16.796
  563   HG23  THR  70          HG22      THR  70   2.586 -39.101  18.181
  564    H    ASP  71           H        ASP  71   0.266 -34.673  15.977
  565    HA   ASP  71           HA       ASP  71  -2.611 -34.733  15.496
  566    HB2  ASP  71           HB2      ASP  71  -2.524 -35.016  17.959
  567    HB3  ASP  71           HB3      ASP  71  -1.478 -33.602  18.090
  568    H    ILE  72           H        ILE  72  -3.403 -32.596  14.961
  569    HA   ILE  72           HA       ILE  72  -1.537 -30.401  14.665
  570    HB   ILE  72           HB       ILE  72  -0.971 -31.735  12.703
  571   HG12  ILE  72          HG12      ILE  72  -2.584 -29.262  11.960
  572   HG13  ILE  72          HG13      ILE  72  -0.911 -29.306  12.522
  573   HG21  ILE  72          HG21      ILE  72  -2.513 -32.361  10.948
  574   HG22  ILE  72          HG22      ILE  72  -3.112 -33.017  12.460
  575   HG23  ILE  72          HG23      ILE  72  -3.865 -31.561  11.775
  576   HD11  ILE  72          HD13      ILE  72  -0.861 -29.037  10.146
  577   HD12  ILE  72          HD11      ILE  72  -0.373 -30.720  10.463
  578   HD13  ILE  72          HD12      ILE  72  -2.014 -30.345   9.891
  579    H    SER  73           H        SER  73  -2.692 -28.440  14.437
  580    HA   SER  73           HA       SER  73  -5.654 -28.521  14.236
  581    HG   SER  73           HG       SER  73  -5.204 -28.447  17.813
  582    HB2  SER  73           HB2      SER  73  -4.085 -27.029  16.387
  583    HB3  SER  73           HB3      SER  73  -5.840 -27.004  16.155
  584    H    VAL  74           H        VAL  74  -6.512 -26.499  13.452
  585    HA   VAL  74           HA       VAL  74  -4.557 -24.542  12.408
  586    HB   VAL  74           HB       VAL  74  -6.745 -25.853  10.736
  587   HG11  VAL  74          HG11      VAL  74  -5.590 -24.721   8.827
  588   HG12  VAL  74          HG12      VAL  74  -6.266 -23.575   9.977
  589   HG13  VAL  74          HG13      VAL  74  -4.522 -23.899   9.985
  590   HG21  VAL  74          HG23      VAL  74  -3.742 -26.336  10.625
  591   HG22  VAL  74          HG21      VAL  74  -4.992 -27.524  11.063
  592   HG23  VAL  74          HG22      VAL  74  -4.917 -26.899   9.420
  593    H    THR  75           H        THR  75  -5.410 -22.479  12.198
  594    HA   THR  75           HA       THR  75  -8.275 -21.955  12.647
  595    HB   THR  75           HB       THR  75  -6.127 -20.281  14.001
  596    HG1  THR  75           HG1      THR  75  -6.028 -22.343  14.912
  597   HG21  THR  75          HG23      THR  75  -9.126 -20.572  14.488
  598   HG22  THR  75          HG21      THR  75  -8.020 -19.601  15.486
  599   HG23  THR  75          HG22      THR  75  -8.288 -19.162  13.799
  600    H    GLU  76           H        GLU  76  -8.728 -19.644  11.709
  601    HA   GLU  76           HA       GLU  76  -6.667 -18.671   9.881
  602    HB2  GLU  76           HB2      GLU  76  -7.980 -18.978   7.867
  603    HB3  GLU  76           HB3      GLU  76  -7.700 -20.540   8.631
  604    HG2  GLU  76           HG2      GLU  76 -10.016 -20.411   9.631
  605    HG3  GLU  76           HG3      GLU  76 -10.271 -18.904   8.750
  606    H    SER  77           H        SER  77  -7.344 -16.738   8.714
  607    HA   SER  77           HA       SER  77  -9.609 -15.172   9.769
  608    HG   SER  77           HG       SER  77  -8.425 -14.902  12.006
  609    HB2  SER  77           HB2      SER  77  -6.705 -14.204   9.840
  610    HB3  SER  77           HB3      SER  77  -8.131 -13.299  10.356
  611    H    ARG  78           H        ARG  78 -10.230 -13.543   8.250
  612    HA   ARG  78           HA       ARG  78  -9.075 -13.692   5.571
  613    HE   ARG  78           HE       ARG  78 -10.792 -10.977   1.797
  614    HB2  ARG  78           HB2      ARG  78 -11.445 -13.221   5.764
  615    HB3  ARG  78           HB3      ARG  78 -11.149 -11.857   6.843
  616    HG2  ARG  78           HG2      ARG  78 -11.754 -11.113   4.585
  617    HG3  ARG  78           HG3      ARG  78 -10.154 -10.555   5.051
  618    HD2  ARG  78           HD2      ARG  78  -9.184 -12.500   3.696
  619    HD3  ARG  78           HD3      ARG  78 -10.824 -12.845   3.154
  620   HH11  ARG  78          HH21      ARG  78  -7.841 -10.968   3.812
  621   HH12  ARG  78          HH22      ARG  78  -7.125  -9.639   2.969
  622   HH21  ARG  78          HH11      ARG  78  -9.789  -9.263   0.657
  623   HH22  ARG  78          HH12      ARG  78  -8.237  -8.681   1.117
  624    H    SER  79           H        SER  79  -8.883 -11.438   8.368
  625    HA   SER  79           HA       SER  79  -7.211  -9.510   7.183
  626    HG   SER  79           HG       SER  79  -8.937  -8.875  10.301
  627    HB2  SER  79           HB2      SER  79  -7.249 -10.434  10.087
  628    HB3  SER  79           HB3      SER  79  -6.800  -8.833   9.470
  629    H    LEU  80           H        LEU  80  -4.980  -9.309   7.192
  630    HA   LEU  80           HA       LEU  80  -3.229 -11.367   8.246
  631    HG   LEU  80           HG       LEU  80  -2.543  -9.752   4.914
  632    HB2  LEU  80           HB2      LEU  80  -2.123 -11.932   6.242
  633    HB3  LEU  80           HB3      LEU  80  -3.809 -12.315   6.009
  634   HD11  LEU  80          HD11      LEU  80  -1.263 -11.614   4.050
  635   HD12  LEU  80          HD12      LEU  80  -2.747 -12.489   3.608
  636   HD13  LEU  80          HD13      LEU  80  -2.300 -10.973   2.777
  637   HD21  LEU  80          HD23      LEU  80  -5.044 -11.325   4.131
  638   HD22  LEU  80          HD21      LEU  80  -5.004  -9.719   4.890
  639   HD23  LEU  80          HD22      LEU  80  -4.395  -9.920   3.250
  640    H    GLU  81           H        GLU  81  -0.962 -10.638   8.168
  641    HA   GLU  81           HA       GLU  81  -0.736  -7.733   8.487
  642    HB2  GLU  81           HB2      GLU  81   1.334  -9.976   8.626
  643    HB3  GLU  81           HB3      GLU  81   1.626  -8.296   9.054
  644    HG2  GLU  81           HG2      GLU  81  -0.304 -10.189  10.470
  645    HG3  GLU  81           HG3      GLU  81   1.284  -9.701  11.041
  646    H    GLY  82           H        GLY  82   0.227 -10.247   6.180
  647    HA2  GLY  82           HA2      GLY  82   0.867 -10.066   3.948
  648    HA3  GLY  82           HA3      GLY  82   0.834  -8.292   4.045
  649    H    HIS  83           H        HIS  83   2.422 -10.876   5.996
  650    HA   HIS  83           HA       HIS  83   4.616  -9.361   6.758
  651    HD1  HIS  83           HD1      HIS  83   6.992 -13.181   7.350
  652    HD2  HIS  83           HD2      HIS  83   5.514  -9.649   9.117
  653    HE1  HIS  83           HE1      HIS  83   8.712 -12.460   9.084
  654    HB2  HIS  83           HB2      HIS  83   3.762 -11.603   7.668
  655    HB3  HIS  83           HB3      HIS  83   4.681 -12.380   6.407
  656    H    HIS  84           H        HIS  84   6.867  -9.353   6.186
  657    HA   HIS  84           HA       HIS  84   7.188  -8.991   3.359
  658    HD1  HIS  84           HD1      HIS  84   7.228  -6.272   3.473
  659    HD2  HIS  84           HD2      HIS  84   8.576  -7.122   7.373
  660    HE1  HIS  84           HE1      HIS  84   6.456  -4.338   4.934
  661    HB2  HIS  84           HB2      HIS  84   9.260  -8.877   5.589
  662    HB3  HIS  84           HB3      HIS  84   9.428  -8.193   3.975
  663    H    ARG  85           H        ARG  85   7.772 -11.763   5.357
  664    HA   ARG  85           HA       ARG  85   9.313 -13.189   3.275
  665    HE   ARG  85           HE       ARG  85  12.216 -12.970   7.338
  666    HB2  ARG  85           HB2      ARG  85  10.221 -12.920   6.166
  667    HB3  ARG  85           HB3      ARG  85  11.033 -13.865   4.919
  668    HG2  ARG  85           HG2      ARG  85  11.629 -11.743   3.733
  669    HG3  ARG  85           HG3      ARG  85  10.908 -10.827   5.071
  670    HD2  ARG  85           HD2      ARG  85  13.264 -12.744   5.241
  671    HD3  ARG  85           HD3      ARG  85  13.326 -10.991   5.404
  672   HH11  ARG  85          HH21      ARG  85  13.039  -9.556   6.764
  673   HH12  ARG  85          HH22      ARG  85  12.631  -9.066   8.366
  674   HH21  ARG  85          HH11      ARG  85  11.609 -12.345   9.334
  675   HH22  ARG  85          HH12      ARG  85  11.842 -10.722   9.919
  676    H    PHE  86           H        PHE  86   9.682 -15.547   4.262
  677    HA   PHE  86           HA       PHE  86   7.696 -16.146   6.377
  678    HD1  PHE  86           HD2      PHE  86   9.292 -19.547   6.614
  679    HD2  PHE  86           HD1      PHE  86   5.360 -18.078   5.662
  680    HE1  PHE  86           HE2      PHE  86   8.312 -21.043   8.327
  681    HE2  PHE  86           HE1      PHE  86   4.390 -19.515   7.427
  682    HZ   PHE  86           HZ       PHE  86   5.863 -20.998   8.759
  683    HB2  PHE  86           HB2      PHE  86   7.250 -17.451   4.301
  684    HB3  PHE  86           HB3      PHE  86   8.830 -18.213   4.498
  685    H    SER  87           H        SER  87   8.763 -16.213   8.319
  686    HA   SER  87           HA       SER  87  11.738 -16.565   8.216
  687    HG   SER  87           HG       SER  87  10.005 -14.128   8.031
  688    HB2  SER  87           HB2      SER  87  10.065 -14.955  10.172
  689    HB3  SER  87           HB3      SER  87  11.832 -14.983  10.039
  690    H    ILE  88           H        ILE  88  12.781 -17.820   9.726
  691    HA   ILE  88           HA       ILE  88  11.187 -19.458  11.623
  692    HB   ILE  88           HB       ILE  88  14.168 -19.308  11.009
  693   HG12  ILE  88          HG12      ILE  88  12.288 -21.676  10.579
  694   HG13  ILE  88          HG13      ILE  88  12.473 -20.440   9.352
  695   HG21  ILE  88          HG21      ILE  88  13.893 -19.879  13.380
  696   HG22  ILE  88          HG22      ILE  88  12.668 -21.100  12.979
  697   HG23  ILE  88          HG23      ILE  88  14.366 -21.326  12.498
  698   HD11  ILE  88          HD13      ILE  88  14.895 -20.852   9.217
  699   HD12  ILE  88          HD11      ILE  88  14.734 -22.172  10.409
  700   HD13  ILE  88          HD12      ILE  88  13.931 -22.282   8.832
  701    H    VAL  89           H        VAL  89  10.995 -18.857  13.767
  702    HA   VAL  89           HA       VAL  89  12.625 -16.661  14.839
  703    HB   VAL  89           HB       VAL  89  10.558 -15.747  13.694
  704   HG11  VAL  89          HG11      VAL  89   8.400 -15.857  14.798
  705   HG12  VAL  89          HG12      VAL  89   8.919 -17.478  14.327
  706   HG13  VAL  89          HG13      VAL  89   9.032 -16.969  16.026
  707   HG21  VAL  89          HG23      VAL  89  10.100 -14.080  15.316
  708   HG22  VAL  89          HG21      VAL  89  10.657 -15.089  16.652
  709   HG23  VAL  89          HG22      VAL  89  11.813 -14.496  15.432
  710    H    TYR  90           H        TYR  90  11.890 -16.447  17.313
  711    HA   TYR  90           HA       TYR  90  11.737 -19.210  18.427
  712    HD1  TYR  90           HD1      TYR  90  14.378 -20.621  18.544
  713    HD2  TYR  90           HD2      TYR  90  14.705 -16.635  16.926
  714    HE1  TYR  90           HE1      TYR  90  15.885 -21.469  16.755
  715    HE2  TYR  90           HE2      TYR  90  16.181 -17.472  15.129
  716    HH   TYR  90           HH       TYR  90  17.252 -19.331  14.214
  717    HB2  TYR  90           HB2      TYR  90  13.724 -17.023  19.148
  718    HB3  TYR  90           HB3      TYR  90  13.654 -18.636  19.839
  719    H    SER  91           H        SER  91  10.097 -16.360  18.440
  720    HA   SER  91           HA       SER  91   9.157 -16.613  21.210
  721    HG   SER  91           HG       SER  91  11.676 -14.061  21.711
  722    HB2  SER  91           HB2      SER  91  10.111 -13.971  20.010
  723    HB3  SER  91           HB3      SER  91   9.372 -14.207  21.597
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -6.948 -12.332  -0.258
    2    H2   MET   1           H2       MET   1  -6.549 -13.290  -1.535
    3    H3   MET   1           H3       MET   1  -7.624 -13.806  -0.410
    4    HA   MET   1           HA       MET   1  -5.534 -14.905  -0.047
    5    HB2  MET   1           HB2      MET   1  -4.464 -12.072   0.316
    6    HB3  MET   1           HB3      MET   1  -3.603 -13.552   0.754
    7    HG2  MET   1           HG2      MET   1  -3.476 -14.273  -1.548
    8    HG3  MET   1           HG3      MET   1  -4.528 -12.958  -2.071
    9    HE1  MET   1           HE3      MET   1  -0.096 -12.431  -0.813
   10    HE2  MET   1           HE1      MET   1  -1.306 -13.034   0.335
   11    HE3  MET   1           HE2      MET   1  -0.872 -14.000  -1.100
   12    H    LEU   2           H        LEU   2  -4.759 -15.367   2.186
   13    HA   LEU   2           HA       LEU   2  -6.607 -14.318   4.283
   14    HG   LEU   2           HG       LEU   2  -7.443 -16.472   1.852
   15    HB2  LEU   2           HB2      LEU   2  -6.010 -17.248   3.763
   16    HB3  LEU   2           HB3      LEU   2  -7.189 -16.597   4.887
   17   HD11  LEU   2          HD11      LEU   2  -8.606 -18.375   3.912
   18   HD12  LEU   2          HD12      LEU   2  -9.091 -18.296   2.200
   19   HD13  LEU   2          HD13      LEU   2  -7.438 -18.765   2.643
   20   HD21  LEU   2          HD23      LEU   2  -8.759 -14.717   3.141
   21   HD22  LEU   2          HD21      LEU   2  -9.750 -15.864   2.225
   22   HD23  LEU   2          HD22      LEU   2  -9.580 -16.056   3.975
   23    H    GLN   3           H        GLN   3  -5.998 -15.609   6.382
   24    HA   GLN   3           HA       GLN   3  -3.071 -15.972   6.704
   25    HB2  GLN   3           HB2      GLN   3  -3.738 -13.773   7.579
   26    HB3  GLN   3           HB3      GLN   3  -5.097 -14.507   8.421
   27    HG2  GLN   3           HG2      GLN   3  -3.438 -15.778   9.859
   28    HG3  GLN   3           HG3      GLN   3  -2.160 -14.817   9.110
   29   HE21  GLN   3          HE22      GLN   3  -2.389 -12.352   9.330
   30   HE22  GLN   3          HE21      GLN   3  -3.195 -11.722  10.766
   31    H    TYR   4           H        TYR   4  -2.617 -17.874   7.762
   32    HA   TYR   4           HA       TYR   4  -4.809 -19.363   9.158
   33    HD1  TYR   4           HD1      TYR   4  -5.567 -19.245   6.640
   34    HD2  TYR   4           HD2      TYR   4  -3.678 -23.099   7.067
   35    HE1  TYR   4           HE1      TYR   4  -7.198 -20.202   5.080
   36    HE2  TYR   4           HE2      TYR   4  -5.324 -24.072   5.494
   37    HH   TYR   4           HH       TYR   4  -7.231 -23.682   4.210
   38    HB2  TYR   4           HB2      TYR   4  -2.515 -20.437   7.456
   39    HB3  TYR   4           HB3      TYR   4  -3.302 -21.377   8.690
   40    H    ARG   5           H        ARG   5  -4.077 -20.446  11.031
   41    HA   ARG   5           HA       ARG   5  -1.249 -20.093  11.831
   42    HE   ARG   5           HE       ARG   5  -3.835 -20.713  15.741
   43    HB2  ARG   5           HB2      ARG   5  -2.754 -18.713  13.364
   44    HB3  ARG   5           HB3      ARG   5  -3.576 -20.228  13.779
   45    HG2  ARG   5           HG2      ARG   5  -1.280 -21.134  14.512
   46    HG3  ARG   5           HG3      ARG   5  -0.662 -19.496  14.261
   47    HD2  ARG   5           HD2      ARG   5  -1.099 -19.937  16.567
   48    HD3  ARG   5           HD3      ARG   5  -2.189 -18.658  16.003
   49   HH11  ARG   5          HH21      ARG   5  -1.449 -20.379  18.414
   50   HH12  ARG   5          HH22      ARG   5  -2.564 -20.980  19.594
   51   HH21  ARG   5          HH11      ARG   5  -5.163 -21.601  17.221
   52   HH22  ARG   5          HH12      ARG   5  -4.718 -21.787  18.894
   53    H    ILE   6           H        ILE   6  -0.386 -22.111  12.577
   54    HA   ILE   6           HA       ILE   6  -2.193 -24.459  12.444
   55    HB   ILE   6           HB       ILE   6   0.503 -24.306  11.062
   56   HG12  ILE   6          HG12      ILE   6  -2.213 -24.396   9.681
   57   HG13  ILE   6          HG13      ILE   6  -1.261 -22.927   9.852
   58   HG21  ILE   6          HG21      ILE   6  -0.142 -26.523  10.120
   59   HG22  ILE   6          HG22      ILE   6  -0.077 -26.559  11.875
   60   HG23  ILE   6          HG23      ILE   6  -1.647 -26.471  11.055
   61   HD11  ILE   6          HD13      ILE   6  -0.918 -23.750   7.666
   62   HD12  ILE   6          HD11      ILE   6   0.596 -23.898   8.584
   63   HD13  ILE   6          HD12      ILE   6  -0.390 -25.340   8.254
   64    H    ILE   7           H        ILE   7  -1.583 -26.038  13.923
   65    HA   ILE   7           HA       ILE   7   0.688 -25.469  15.758
   66    HB   ILE   7           HB       ILE   7  -2.193 -26.172  16.479
   67   HG12  ILE   7          HG12      ILE   7  -1.947 -23.743  15.948
   68   HG13  ILE   7          HG13      ILE   7  -2.390 -24.051  17.612
   69   HG21  ILE   7          HG21      ILE   7  -1.423 -25.958  18.860
   70   HG22  ILE   7          HG22      ILE   7  -0.737 -27.341  18.004
   71   HG23  ILE   7          HG23      ILE   7   0.255 -25.893  18.270
   72   HD11  ILE   7          HD13      ILE   7  -0.166 -23.529  18.401
   73   HD12  ILE   7          HD11      ILE   7   0.467 -23.504  16.739
   74   HD13  ILE   7          HD12      ILE   7  -0.673 -22.267  17.261
   75    H    VAL   8           H        VAL   8   1.780 -27.383  16.298
   76    HA   VAL   8           HA       VAL   8   0.698 -29.921  15.146
   77    HB   VAL   8           HB       VAL   8   3.581 -29.135  14.741
   78   HG11  VAL   8          HG11      VAL   8   1.642 -30.828  13.117
   79   HG12  VAL   8          HG12      VAL   8   3.367 -30.591  12.765
   80   HG13  VAL   8          HG13      VAL   8   2.881 -31.426  14.243
   81   HG21  VAL   8          HG23      VAL   8   2.443 -27.186  13.739
   82   HG22  VAL   8          HG21      VAL   8   3.155 -28.220  12.516
   83   HG23  VAL   8          HG22      VAL   8   1.397 -28.281  12.801
   84    H    ASP   9           H        ASP   9   1.493 -31.837  16.199
   85    HA   ASP   9           HA       ASP   9   3.492 -31.525  18.350
   86    HB2  ASP   9           HB2      ASP   9   1.234 -31.234  19.407
   87    HB3  ASP   9           HB3      ASP   9   0.765 -32.793  18.746
   88    H    GLY  10           H        GLY  10   4.375 -33.610  19.003
   89    HA2  GLY  10           HA2      GLY  10   4.098 -36.126  18.499
   90    HA3  GLY  10           HA3      GLY  10   4.351 -35.628  16.821
   91    H    ARG  11           H        ARG  11   6.281 -36.846  16.729
   92    HA   ARG  11           HA       ARG  11   8.711 -35.850  18.109
   93    HE   ARG  11           HE       ARG  11  11.896 -38.070  13.936
   94    HB2  ARG  11           HB2      ARG  11   8.664 -38.216  17.422
   95    HB3  ARG  11           HB3      ARG  11   8.263 -37.740  15.770
   96    HG2  ARG  11           HG2      ARG  11  10.476 -36.540  15.624
   97    HG3  ARG  11           HG3      ARG  11  10.891 -37.186  17.217
   98    HD2  ARG  11           HD2      ARG  11  10.908 -39.443  16.385
   99    HD3  ARG  11           HD3      ARG  11  10.013 -38.994  14.933
  100   HH11  ARG  11          HH21      ARG  11  12.807 -39.351  17.131
  101   HH12  ARG  11          HH22      ARG  11  14.497 -39.288  16.799
  102   HH21  ARG  11          HH11      ARG  11  14.020 -37.949  13.518
  103   HH22  ARG  11          HH12      ARG  11  15.226 -38.484  14.646
  104    H    VAL  12           H        VAL  12   8.233 -33.618  17.665
  105    HA   VAL  12           HA       VAL  12   8.715 -32.777  14.851
  106    HB   VAL  12           HB       VAL  12   6.948 -31.111  15.064
  107   HG11  VAL  12          HG11      VAL  12   5.006 -32.522  14.891
  108   HG12  VAL  12          HG12      VAL  12   6.385 -33.319  14.112
  109   HG13  VAL  12          HG13      VAL  12   5.823 -33.861  15.704
  110   HG21  VAL  12          HG23      VAL  12   6.910 -30.739  17.505
  111   HG22  VAL  12          HG21      VAL  12   5.304 -31.154  16.900
  112   HG23  VAL  12          HG22      VAL  12   6.263 -32.364  17.764
  113    H    GLN  13           H        GLN  13  10.459 -32.885  17.382
  114    HA   GLN  13           HA       GLN  13  11.442 -30.113  17.168
  115    HB2  GLN  13           HB2      GLN  13  11.252 -31.528  19.862
  116    HB3  GLN  13           HB3      GLN  13  11.804 -29.889  19.516
  117    HG2  GLN  13           HG2      GLN  13   9.362 -29.522  18.649
  118    HG3  GLN  13           HG3      GLN  13   8.975 -30.968  19.569
  119   HE21  GLN  13          HE22      GLN  13   8.730 -27.777  19.788
  120   HE22  GLN  13          HE21      GLN  13   8.982 -27.493  21.501
  121    H    GLY  14           H        GLY  14  13.685 -30.021  17.269
  122    HA2  GLY  14           HA2      GLY  14  15.855 -30.723  17.423
  123    HA3  GLY  14           HA3      GLY  14  15.350 -32.158  18.342
  124    H    VAL  15           H        VAL  15  14.035 -31.208  15.158
  125    HA   VAL  15           HA       VAL  15  15.415 -33.519  13.871
  126    HB   VAL  15           HB       VAL  15  13.209 -34.148  12.833
  127   HG11  VAL  15          HG11      VAL  15  12.480 -35.526  14.667
  128   HG12  VAL  15          HG12      VAL  15  14.247 -35.447  14.664
  129   HG13  VAL  15          HG13      VAL  15  13.324 -34.505  15.849
  130   HG21  VAL  15          HG23      VAL  15  12.021 -32.403  15.038
  131   HG22  VAL  15          HG21      VAL  15  11.875 -32.160  13.287
  132   HG23  VAL  15          HG22      VAL  15  11.126 -33.568  14.053
  133    H    GLY  16           H        GLY  16  14.342 -30.241  13.683
  134    HA2  GLY  16           HA2      GLY  16  15.308 -28.797  12.062
  135    HA3  GLY  16           HA3      GLY  16  15.266 -30.091  10.849
  136    H    PHE  17           H        PHE  17  12.573 -29.513  13.174
  137    HA   PHE  17           HA       PHE  17  10.754 -29.710  10.944
  138    HD1  PHE  17           HD1      PHE  17   7.895 -27.929  12.164
  139    HD2  PHE  17           HD2      PHE  17   9.089 -32.053  12.489
  140    HE1  PHE  17           HE1      PHE  17   5.686 -28.638  11.280
  141    HE2  PHE  17           HE2      PHE  17   6.881 -32.762  11.607
  142    HZ   PHE  17           HZ       PHE  17   5.173 -31.055  10.994
  143    HB2  PHE  17           HB2      PHE  17  10.428 -30.353  13.475
  144    HB3  PHE  17           HB3      PHE  17   9.873 -28.695  13.640
  145    H    ARG  18           H        ARG  18  11.915 -26.947  12.974
  146    HA   ARG  18           HA       ARG  18  10.382 -24.908  11.729
  147    HE   ARG  18           HE       ARG  18  12.798 -25.631  15.457
  148    HB2  ARG  18           HB2      ARG  18  13.142 -25.007  12.984
  149    HB3  ARG  18           HB3      ARG  18  12.577 -23.522  12.220
  150    HG2  ARG  18           HG2      ARG  18  10.743 -23.271  13.675
  151    HG3  ARG  18           HG3      ARG  18  10.851 -24.922  14.288
  152    HD2  ARG  18           HD2      ARG  18  13.113 -22.925  14.695
  153    HD3  ARG  18           HD3      ARG  18  11.704 -22.981  15.770
  154   HH11  ARG  18          HH21      ARG  18  13.416 -22.536  17.133
  155   HH12  ARG  18          HH22      ARG  18  14.133 -23.284  18.515
  156   HH21  ARG  18          HH11      ARG  18  13.765 -26.602  17.237
  157   HH22  ARG  18          HH12      ARG  18  14.375 -25.646  18.569
  158    H    TYR  19           H        TYR  19  13.496 -26.344  10.570
  159    HA   TYR  19           HA       TYR  19  13.676 -24.557   8.329
  160    HD1  TYR  19           HD2      TYR  19  16.152 -23.886   7.713
  161    HD2  TYR  19           HD1      TYR  19  16.126 -26.615  11.059
  162    HE1  TYR  19           HE2      TYR  19  17.775 -22.443   8.892
  163    HE2  TYR  19           HE1      TYR  19  17.748 -25.174  12.249
  164    HH   TYR  19           HH       TYR  19  19.041 -22.133  10.827
  165    HB2  TYR  19           HB2      TYR  19  14.992 -27.214   9.009
  166    HB3  TYR  19           HB3      TYR  19  15.321 -26.324   7.541
  167    H    PHE  20           H        PHE  20  12.368 -27.888   8.733
  168    HA   PHE  20           HA       PHE  20  11.636 -28.328   6.044
  169    HD1  PHE  20           HD1      PHE  20  10.577 -30.794   5.272
  170    HD2  PHE  20           HD2      PHE  20   8.071 -29.389   8.496
  171    HE1  PHE  20           HE1      PHE  20   8.585 -31.779   4.164
  172    HE2  PHE  20           HE2      PHE  20   6.085 -30.349   7.364
  173    HZ   PHE  20           HZ       PHE  20   6.338 -31.558   5.207
  174    HB2  PHE  20           HB2      PHE  20  11.502 -30.117   7.618
  175    HB3  PHE  20           HB3      PHE  20  10.431 -29.221   8.680
  176    H    VAL  21           H        VAL  21   9.677 -26.772   8.677
  177    HA   VAL  21           HA       VAL  21   7.485 -26.131   7.000
  178    HB   VAL  21           HB       VAL  21   8.526 -24.906   9.586
  179   HG11  VAL  21          HG11      VAL  21   6.264 -23.902   9.841
  180   HG12  VAL  21          HG12      VAL  21   7.143 -23.198   8.482
  181   HG13  VAL  21          HG13      VAL  21   5.873 -24.408   8.186
  182   HG21  VAL  21          HG23      VAL  21   7.690 -27.281   9.689
  183   HG22  VAL  21          HG21      VAL  21   6.672 -26.166  10.606
  184   HG23  VAL  21          HG22      VAL  21   6.150 -26.747   9.010
  185    H    GLN  22           H        GLN  22  10.506 -24.268   7.696
  186    HA   GLN  22           HA       GLN  22   9.775 -21.923   6.300
  187    HB2  GLN  22           HB2      GLN  22  11.747 -22.203   7.822
  188    HB3  GLN  22           HB3      GLN  22  12.537 -23.182   6.583
  189    HG2  GLN  22           HG2      GLN  22  12.418 -21.182   5.027
  190    HG3  GLN  22           HG3      GLN  22  11.761 -20.255   6.378
  191   HE21  GLN  22          HE22      GLN  22  13.404 -18.842   6.958
  192   HE22  GLN  22          HE21      GLN  22  15.049 -19.326   7.279
  193    H    MET  23           H        MET  23  11.354 -24.943   5.096
  194    HA   MET  23           HA       MET  23  11.619 -23.891   2.408
  195    HB2  MET  23           HB2      MET  23  11.793 -26.723   3.544
  196    HB3  MET  23           HB3      MET  23  12.121 -26.315   1.854
  197    HG2  MET  23           HG2      MET  23  13.891 -24.749   2.548
  198    HG3  MET  23           HG3      MET  23  13.629 -25.166   4.237
  199    HE1  MET  23           HE3      MET  23  14.995 -28.805   4.517
  200    HE2  MET  23           HE1      MET  23  14.355 -27.390   5.379
  201    HE3  MET  23           HE2      MET  23  13.299 -28.330   4.297
  202    H    GLU  24           H        GLU  24   9.083 -25.935   4.020
  203    HA   GLU  24           HA       GLU  24   7.658 -26.405   1.575
  204    HB2  GLU  24           HB2      GLU  24   6.787 -26.378   4.499
  205    HB3  GLU  24           HB3      GLU  24   5.727 -26.815   3.167
  206    HG2  GLU  24           HG2      GLU  24   8.254 -28.286   3.996
  207    HG3  GLU  24           HG3      GLU  24   6.591 -28.817   4.205
  208    H    ALA  25           H        ALA  25   7.523 -23.762   4.009
  209    HA   ALA  25           HA       ALA  25   5.341 -22.366   2.815
  210    HB1  ALA  25           HB3      ALA  25   6.173 -21.859   5.088
  211    HB2  ALA  25           HB1      ALA  25   7.712 -21.287   4.409
  212    HB3  ALA  25           HB2      ALA  25   6.207 -20.421   4.050
  213    H    ASP  26           H        ASP  26   8.903 -22.229   2.251
  214    HA   ASP  26           HA       ASP  26   8.858 -20.184   0.301
  215    HB2  ASP  26           HB2      ASP  26  10.907 -21.251   1.472
  216    HB3  ASP  26           HB3      ASP  26  10.792 -22.531   0.280
  217    H    LYS  27           H        LYS  27   8.639 -23.760  -0.078
  218    HA   LYS  27           HA       LYS  27   8.390 -23.812  -2.888
  219    HB2  LYS  27           HB2      LYS  27   8.927 -25.730  -1.540
  220    HB3  LYS  27           HB3      LYS  27   7.389 -25.686  -0.709
  221    HG2  LYS  27           HG2      LYS  27   7.471 -26.053  -3.718
  222    HG3  LYS  27           HG3      LYS  27   7.903 -27.396  -2.678
  223    HD2  LYS  27           HD2      LYS  27   5.233 -25.943  -2.615
  224    HD3  LYS  27           HD3      LYS  27   5.533 -27.488  -3.390
  225    HE2  LYS  27           HE2      LYS  27   5.789 -26.926  -0.396
  226    HE3  LYS  27           HE3      LYS  27   4.407 -27.692  -1.170
  227    HZ1  LYS  27           HZ3      LYS  27   5.738 -29.567  -1.729
  228    HZ2  LYS  27           HZ1      LYS  27   7.136 -28.834  -1.275
  229    HZ3  LYS  27           HZ2      LYS  27   6.035 -29.219  -0.143
  230    H    ARG  28           H        ARG  28   5.927 -23.206  -0.405
  231    HA   ARG  28           HA       ARG  28   3.809 -22.868  -2.445
  232    HE   ARG  28           HE       ARG  28   3.594 -24.754  -2.729
  233    HB2  ARG  28           HB2      ARG  28   3.895 -22.629   0.595
  234    HB3  ARG  28           HB3      ARG  28   2.442 -22.414  -0.359
  235    HG2  ARG  28           HG2      ARG  28   4.023 -25.022  -0.288
  236    HG3  ARG  28           HG3      ARG  28   2.680 -24.637   0.765
  237    HD2  ARG  28           HD2      ARG  28   1.791 -25.988  -0.948
  238    HD3  ARG  28           HD3      ARG  28   1.202 -24.347  -1.235
  239   HH11  ARG  28          HH11      ARG  28   0.220 -25.848  -2.739
  240   HH12  ARG  28          HH12      ARG  28   0.177 -26.128  -4.448
  241   HH21  ARG  28          HH21      ARG  28   3.528 -25.085  -5.005
  242   HH22  ARG  28          HH22      ARG  28   2.101 -25.684  -5.750
  243    H    LYS  29           H        LYS  29   6.316 -20.937  -1.592
  244    HA   LYS  29           HA       LYS  29   6.732 -18.775  -1.287
  245    HB2  LYS  29           HB2      LYS  29   4.824 -18.623  -3.644
  246    HB3  LYS  29           HB3      LYS  29   5.878 -17.300  -3.152
  247    HG2  LYS  29           HG2      LYS  29   6.905 -20.052  -3.966
  248    HG3  LYS  29           HG3      LYS  29   6.740 -18.681  -5.057
  249    HD2  LYS  29           HD2      LYS  29   8.323 -17.351  -3.764
  250    HD3  LYS  29           HD3      LYS  29   8.514 -18.629  -2.561
  251    HE2  LYS  29           HE2      LYS  29   9.103 -19.048  -5.516
  252    HE3  LYS  29           HE3      LYS  29  10.320 -18.426  -4.396
  253    HZ1  LYS  29           HZ3      LYS  29  10.326 -20.436  -3.198
  254    HZ2  LYS  29           HZ1      LYS  29   8.938 -20.964  -3.837
  255    HZ3  LYS  29           HZ2      LYS  29  10.302 -20.907  -4.767
  256    H    LEU  30           H        LEU  30   4.990 -19.586   0.631
  257    HA   LEU  30           HA       LEU  30   2.911 -17.548   1.053
  258    HG   LEU  30           HG       LEU  30   2.639 -20.610   1.102
  259    HB2  LEU  30           HB2      LEU  30   4.188 -19.679   2.828
  260    HB3  LEU  30           HB3      LEU  30   2.914 -18.593   3.359
  261   HD11  LEU  30          HD11      LEU  30   2.846 -21.708   3.264
  262   HD12  LEU  30          HD12      LEU  30   1.612 -20.645   3.965
  263   HD13  LEU  30          HD13      LEU  30   1.169 -21.804   2.696
  264   HD21  LEU  30          HD23      LEU  30   0.186 -20.138   1.324
  265   HD22  LEU  30          HD21      LEU  30   0.584 -18.779   2.396
  266   HD23  LEU  30          HD22      LEU  30   1.110 -18.775   0.693
  267    H    ALA  31           H        ALA  31   3.062 -16.219   3.029
  268    HA   ALA  31           HA       ALA  31   5.834 -15.490   3.862
  269    HB1  ALA  31           HB3      ALA  31   4.890 -13.282   4.487
  270    HB2  ALA  31           HB1      ALA  31   4.759 -13.562   2.734
  271    HB3  ALA  31           HB2      ALA  31   3.333 -13.762   3.789
  272    H    GLY  32           H        GLY  32   5.836 -14.930   6.296
  273    HA2  GLY  32           HA2      GLY  32   3.931 -15.293   8.182
  274    HA3  GLY  32           HA3      GLY  32   4.183 -16.954   7.625
  275    H    TRP  33           H        TRP  33   4.747 -17.295   9.897
  276    HA   TRP  33           HA       TRP  33   7.589 -17.453   9.908
  277    HD1  TRP  33           HD1      TRP  33   5.970 -17.276  14.098
  278    HE1  TRP  33           HE1      TRP  33   3.968 -15.994  15.021
  279    HE3  TRP  33           HE3      TRP  33   5.530 -13.737  10.421
  280    HZ2  TRP  33           HZ2      TRP  33   2.389 -13.666  14.286
  281    HZ3  TRP  33           HZ3      TRP  33   3.748 -12.016  10.546
  282    HH2  TRP  33           HH2      TRP  33   2.179 -11.967  12.474
  283    HB2  TRP  33           HB2      TRP  33   7.853 -16.646  12.280
  284    HB3  TRP  33           HB3      TRP  33   7.461 -15.391  11.130
  285    H    VAL  34           H        VAL  34   8.404 -18.889  11.662
  286    HA   VAL  34           HA       VAL  34   6.355 -20.712  12.802
  287    HB   VAL  34           HB       VAL  34   7.127 -21.790  10.762
  288   HG11  VAL  34          HG11      VAL  34   9.384 -20.736  10.531
  289   HG12  VAL  34          HG12      VAL  34   9.962 -21.747  11.864
  290   HG13  VAL  34          HG13      VAL  34   9.410 -22.497  10.355
  291   HG21  VAL  34          HG23      VAL  34   6.658 -23.172  12.796
  292   HG22  VAL  34          HG21      VAL  34   7.794 -23.938  11.673
  293   HG23  VAL  34          HG22      VAL  34   8.388 -23.190  13.157
  294    H    LYS  35           H        LYS  35   6.880 -21.518  14.825
  295    HA   LYS  35           HA       LYS  35   9.614 -21.186  15.827
  296    HB2  LYS  35           HB2      LYS  35   8.901 -20.261  17.971
  297    HB3  LYS  35           HB3      LYS  35   8.542 -19.159  16.653
  298    HG2  LYS  35           HG2      LYS  35   6.170 -19.729  16.714
  299    HG3  LYS  35           HG3      LYS  35   6.460 -21.003  17.919
  300    HD2  LYS  35           HD2      LYS  35   7.199 -19.369  19.566
  301    HD3  LYS  35           HD3      LYS  35   7.080 -18.055  18.373
  302    HE2  LYS  35           HE2      LYS  35   4.679 -18.326  18.200
  303    HE3  LYS  35           HE3      LYS  35   4.705 -19.775  19.209
  304    HZ1  LYS  35           HZ3      LYS  35   5.557 -17.106  20.190
  305    HZ2  LYS  35           HZ1      LYS  35   4.036 -17.715  20.379
  306    HZ3  LYS  35           HZ2      LYS  35   5.310 -18.452  21.084
  307    H    ASN  36           H        ASN  36   9.886 -22.548  17.843
  308    HA   ASN  36           HA       ASN  36   8.019 -24.862  17.812
  309    HB2  ASN  36           HB2      ASN  36  10.332 -25.079  16.538
  310    HB3  ASN  36           HB3      ASN  36  10.978 -25.331  18.165
  311   HD21  ASN  36          HD22      ASN  36  11.104 -27.415  16.140
  312   HD22  ASN  36          HD21      ASN  36   9.902 -28.620  16.544
  313    H    ARG  37           H        ARG  37   7.154 -25.070  19.779
  314    HA   ARG  37           HA       ARG  37   7.935 -23.002  21.674
  315    HE   ARG  37           HE       ARG  37   3.318 -23.865  22.668
  316    HB2  ARG  37           HB2      ARG  37   5.599 -24.976  21.629
  317    HB3  ARG  37           HB3      ARG  37   5.756 -23.601  22.718
  318    HG2  ARG  37           HG2      ARG  37   5.561 -22.019  20.880
  319    HG3  ARG  37           HG3      ARG  37   5.637 -23.311  19.673
  320    HD2  ARG  37           HD2      ARG  37   3.331 -22.481  20.036
  321    HD3  ARG  37           HD3      ARG  37   3.518 -24.209  20.329
  322   HH11  ARG  37          HH21      ARG  37   2.574 -20.792  20.910
  323   HH12  ARG  37          HH22      ARG  37   2.108 -20.007  22.376
  324   HH21  ARG  37          HH12      ARG  37   2.724 -22.843  24.434
  325   HH22  ARG  37          HH11      ARG  37   2.139 -21.192  24.450
  326    H    ASP  38           H        ASP  38   8.243 -23.330  23.954
  327    HA   ASP  38           HA       ASP  38   9.842 -25.581  24.637
  328    HB2  ASP  38           HB2      ASP  38  10.065 -23.400  25.741
  329    HB3  ASP  38           HB3      ASP  38   8.428 -23.533  26.391
  330    H    ASP  39           H        ASP  39   6.378 -25.009  24.958
  331    HA   ASP  39           HA       ASP  39   5.845 -27.219  26.678
  332    HB2  ASP  39           HB2      ASP  39   3.536 -26.918  26.197
  333    HB3  ASP  39           HB3      ASP  39   4.293 -25.350  26.408
  334    H    GLY  40           H        GLY  40   6.929 -27.255  23.461
  335    HA2  GLY  40           HA2      GLY  40   7.640 -29.383  22.662
  336    HA3  GLY  40           HA3      GLY  40   6.146 -30.121  23.220
  337    H    ARG  41           H        ARG  41   4.640 -27.607  22.041
  338    HA   ARG  41           HA       ARG  41   4.089 -28.961  19.530
  339    HE   ARG  41           HE       ARG  41   1.884 -26.465  22.769
  340    HB2  ARG  41           HB2      ARG  41   3.019 -26.408  20.797
  341    HB3  ARG  41           HB3      ARG  41   2.404 -27.086  19.288
  342    HG2  ARG  41           HG2      ARG  41   1.669 -29.115  20.371
  343    HG3  ARG  41           HG3      ARG  41   2.422 -28.665  21.905
  344    HD2  ARG  41           HD2      ARG  41   0.166 -27.124  20.572
  345    HD3  ARG  41           HD3      ARG  41  -0.034 -28.309  21.878
  346   HH11  ARG  41          HH11      ARG  41  -1.591 -26.461  21.954
  347   HH12  ARG  41          HH12      ARG  41  -1.982 -25.154  23.006
  348   HH21  ARG  41          HH21      ARG  41   1.371 -24.726  24.135
  349   HH22  ARG  41          HH22      ARG  41  -0.264 -24.153  24.307
  350    H    VAL  42           H        VAL  42   4.105 -27.928  17.497
  351    HA   VAL  42           HA       VAL  42   6.127 -25.762  17.116
  352    HB   VAL  42           HB       VAL  42   4.653 -27.144  14.862
  353   HG11  VAL  42          HG11      VAL  42   5.927 -25.083  14.353
  354   HG12  VAL  42          HG12      VAL  42   7.399 -25.830  15.006
  355   HG13  VAL  42          HG13      VAL  42   6.621 -26.488  13.549
  356   HG21  VAL  42          HG23      VAL  42   6.548 -28.695  14.532
  357   HG22  VAL  42          HG21      VAL  42   7.241 -28.180  16.082
  358   HG23  VAL  42          HG22      VAL  42   5.679 -29.023  16.023
  359    H    GLU  43           H        GLU  43   5.328 -23.775  16.228
  360    HA   GLU  43           HA       GLU  43   2.421 -23.578  15.736
  361    HB2  GLU  43           HB2      GLU  43   2.640 -22.826  17.981
  362    HB3  GLU  43           HB3      GLU  43   4.048 -21.822  17.611
  363    HG2  GLU  43           HG2      GLU  43   2.720 -20.208  16.454
  364    HG3  GLU  43           HG3      GLU  43   1.336 -21.293  16.348
  365    H    ILE  44           H        ILE  44   1.976 -22.437  13.969
  366    HA   ILE  44           HA       ILE  44   4.148 -21.040  12.505
  367    HB   ILE  44           HB       ILE  44   2.043 -22.749  11.162
  368   HG12  ILE  44          HG12      ILE  44   4.717 -23.910  12.024
  369   HG13  ILE  44          HG13      ILE  44   3.138 -24.376  12.654
  370   HG21  ILE  44          HG21      ILE  44   4.845 -21.927  10.323
  371   HG22  ILE  44          HG22      ILE  44   3.645 -22.745   9.302
  372   HG23  ILE  44          HG23      ILE  44   3.353 -21.101   9.843
  373   HD11  ILE  44          HD13      ILE  44   3.828 -26.037  11.089
  374   HD12  ILE  44          HD11      ILE  44   2.463 -25.152  10.381
  375   HD13  ILE  44          HD12      ILE  44   4.109 -24.847   9.816
  376    H    LEU  45           H        LEU  45   3.308 -19.190  11.388
  377    HA   LEU  45           HA       LEU  45   0.379 -18.910  11.180
  378    HG   LEU  45           HG       LEU  45  -0.856 -16.936  11.768
  379    HB2  LEU  45           HB2      LEU  45   1.113 -17.716  13.257
  380    HB3  LEU  45           HB3      LEU  45   2.144 -16.677  12.278
  381   HD11  LEU  45          HD11      LEU  45  -0.566 -16.321  14.119
  382   HD12  LEU  45          HD12      LEU  45   0.509 -14.986  13.657
  383   HD13  LEU  45          HD13      LEU  45  -1.205 -14.962  13.188
  384   HD21  LEU  45          HD23      LEU  45   1.203 -14.781  11.099
  385   HD22  LEU  45          HD21      LEU  45   0.251 -15.750   9.955
  386   HD23  LEU  45          HD22      LEU  45  -0.546 -14.541  10.948
  387    H    ALA  46           H        ALA  46  -0.060 -18.332   9.076
  388    HA   ALA  46           HA       ALA  46   2.142 -17.262   7.421
  389    HB1  ALA  46           HB3      ALA  46   0.616 -19.827   6.783
  390    HB2  ALA  46           HB1      ALA  46   1.839 -19.039   5.760
  391    HB3  ALA  46           HB2      ALA  46   2.314 -19.747   7.314
  392    H    GLU  47           H        GLU  47   1.401 -16.535   5.313
  393    HA   GLU  47           HA       GLU  47  -1.491 -15.953   5.121
  394    HB2  GLU  47           HB2      GLU  47   0.726 -13.859   4.911
  395    HB3  GLU  47           HB3      GLU  47  -0.997 -13.607   4.588
  396    HG2  GLU  47           HG2      GLU  47  -1.414 -14.360   6.996
  397    HG3  GLU  47           HG3      GLU  47   0.324 -14.208   7.268
  398    H    GLY  48           H        GLY  48  -2.206 -15.768   2.980
  399    HA2  GLY  48           HA2      GLY  48  -0.724 -15.502   0.628
  400    HA3  GLY  48           HA3      GLY  48  -0.558 -17.195   1.085
  401    HA   PRO  49           HA       PRO  49  -4.635 -16.869  -1.135
  402    HB2  PRO  49           HB2      PRO  49  -4.130 -18.563  -3.220
  403    HB3  PRO  49           HB3      PRO  49  -3.729 -16.819  -3.260
  404    HG2  PRO  49           HG2      PRO  49  -1.898 -19.144  -2.662
  405    HG3  PRO  49           HG3      PRO  49  -1.588 -17.735  -3.718
  406    HD2  PRO  49           HD2      PRO  49  -0.688 -17.900  -1.117
  407    HD3  PRO  49           HD3      PRO  49  -1.119 -16.346  -1.891
  408    H    GLU  50           H        GLU  50  -6.231 -18.522  -1.073
  409    HA   GLU  50           HA       GLU  50  -5.971 -20.182   1.162
  410    HB2  GLU  50           HB2      GLU  50  -8.064 -19.158   0.200
  411    HB3  GLU  50           HB3      GLU  50  -8.042 -20.389  -1.063
  412    HG2  GLU  50           HG2      GLU  50  -8.249 -22.161   0.646
  413    HG3  GLU  50           HG3      GLU  50  -8.168 -20.966   1.934
  414    H    ASN  51           H        ASN  51  -5.555 -21.052  -2.300
  415    HA   ASN  51           HA       ASN  51  -5.585 -23.897  -1.799
  416    HB2  ASN  51           HB2      ASN  51  -5.967 -22.992  -4.057
  417    HB3  ASN  51           HB3      ASN  51  -4.341 -22.302  -4.085
  418   HD21  ASN  51          HD22      ASN  51  -2.782 -23.592  -5.091
  419   HD22  ASN  51          HD21      ASN  51  -2.907 -25.320  -5.271
  420    H    ALA  52           H        ALA  52  -2.998 -21.462  -1.854
  421    HA   ALA  52           HA       ALA  52  -0.826 -23.362  -1.611
  422    HB1  ALA  52           HB3      ALA  52   0.521 -21.377  -1.035
  423    HB2  ALA  52           HB1      ALA  52  -0.458 -21.083  -2.479
  424    HB3  ALA  52           HB2      ALA  52  -0.945 -20.396  -0.904
  425    H    LEU  53           H        LEU  53  -2.788 -21.415   0.693
  426    HA   LEU  53           HA       LEU  53  -1.386 -22.251   3.037
  427    HG   LEU  53           HG       LEU  53  -2.170 -19.614   2.243
  428    HB2  LEU  53           HB2      LEU  53  -4.196 -21.200   2.542
  429    HB3  LEU  53           HB3      LEU  53  -3.573 -21.527   4.150
  430   HD11  LEU  53          HD11      LEU  53  -4.426 -18.777   2.649
  431   HD12  LEU  53          HD12      LEU  53  -4.218 -18.988   4.404
  432   HD13  LEU  53          HD13      LEU  53  -3.246 -17.796   3.524
  433   HD21  LEU  53          HD23      LEU  53  -2.009 -19.943   5.270
  434   HD22  LEU  53          HD21      LEU  53  -0.768 -20.458   4.114
  435   HD23  LEU  53          HD22      LEU  53  -1.135 -18.742   4.303
  436    H    GLN  54           H        GLN  54  -4.309 -23.630   1.391
  437    HA   GLN  54           HA       GLN  54  -4.766 -25.723   3.248
  438    HB2  GLN  54           HB2      GLN  54  -5.279 -25.359   0.278
  439    HB3  GLN  54           HB3      GLN  54  -5.653 -26.883   1.060
  440    HG2  GLN  54           HG2      GLN  54  -7.196 -25.835   2.610
  441    HG3  GLN  54           HG3      GLN  54  -6.766 -24.225   2.021
  442   HE21  GLN  54          HE22      GLN  54  -7.160 -23.776  -0.300
  443   HE22  GLN  54          HE21      GLN  54  -8.532 -24.528  -1.110
  444    H    SER  55           H        SER  55  -2.734 -25.753   0.233
  445    HA   SER  55           HA       SER  55  -1.939 -28.469   0.681
  446    HG   SER  55           HG       SER  55  -1.792 -25.580  -1.386
  447    HB2  SER  55           HB2      SER  55  -0.093 -27.845  -1.004
  448    HB3  SER  55           HB3      SER  55  -1.782 -27.802  -1.525
  449    H    PHE  56           H        PHE  56  -0.537 -25.380   1.781
  450    HA   PHE  56           HA       PHE  56   1.830 -26.455   2.909
  451    HD1  PHE  56           HD1      PHE  56   3.747 -25.149   3.649
  452    HD2  PHE  56           HD2      PHE  56   0.601 -23.080   5.763
  453    HE1  PHE  56           HE1      PHE  56   5.385 -24.348   5.333
  454    HE2  PHE  56           HE2      PHE  56   2.250 -22.243   7.398
  455    HZ   PHE  56           HZ       PHE  56   4.654 -22.833   7.156
  456    HB2  PHE  56           HB2      PHE  56   1.416 -24.076   2.575
  457    HB3  PHE  56           HB3      PHE  56   0.105 -24.098   3.736
  458    H    VAL  57           H        VAL  57  -1.537 -26.144   4.298
  459    HA   VAL  57           HA       VAL  57  -0.861 -27.289   6.813
  460    HB   VAL  57           HB       VAL  57  -3.484 -27.286   5.271
  461   HG11  VAL  57          HG11      VAL  57  -2.993 -28.255   8.120
  462   HG12  VAL  57          HG12      VAL  57  -4.585 -27.968   7.380
  463   HG13  VAL  57          HG13      VAL  57  -3.546 -29.243   6.752
  464   HG21  VAL  57          HG23      VAL  57  -4.169 -25.622   6.887
  465   HG22  VAL  57          HG21      VAL  57  -2.671 -25.819   7.806
  466   HG23  VAL  57          HG22      VAL  57  -2.630 -25.092   6.188
  467    H    GLU  58           H        GLU  58  -1.935 -28.874   3.729
  468    HA   GLU  58           HA       GLU  58  -1.925 -31.511   4.707
  469    HB2  GLU  58           HB2      GLU  58  -1.259 -30.550   1.901
  470    HB3  GLU  58           HB3      GLU  58  -1.551 -32.226   2.362
  471    HG2  GLU  58           HG2      GLU  58  -3.831 -31.553   3.193
  472    HG3  GLU  58           HG3      GLU  58  -3.550 -29.943   2.530
  473    H    ALA  59           H        ALA  59   0.768 -29.589   3.484
  474    HA   ALA  59           HA       ALA  59   2.728 -31.677   3.506
  475    HB1  ALA  59           HB3      ALA  59   4.369 -29.849   3.389
  476    HB2  ALA  59           HB1      ALA  59   3.047 -29.594   2.229
  477    HB3  ALA  59           HB2      ALA  59   3.108 -28.657   3.742
  478    H    VAL  60           H        VAL  60   1.778 -29.183   5.924
  479    HA   VAL  60           HA       VAL  60   3.686 -30.023   7.891
  480    HB   VAL  60           HB       VAL  60   1.115 -28.408   8.106
  481   HG11  VAL  60          HG11      VAL  60   1.672 -29.337  10.337
  482   HG12  VAL  60          HG12      VAL  60   3.343 -28.781  10.161
  483   HG13  VAL  60          HG13      VAL  60   2.014 -27.607  10.278
  484   HG21  VAL  60          HG23      VAL  60   3.025 -27.395   6.746
  485   HG22  VAL  60          HG21      VAL  60   2.616 -26.479   8.192
  486   HG23  VAL  60          HG22      VAL  60   4.048 -27.531   8.172
  487    H    LYS  61           H        LYS  61   0.362 -31.232   7.092
  488    HA   LYS  61           HA       LYS  61   0.117 -32.898   9.381
  489    HB2  LYS  61           HB2      LYS  61  -0.746 -33.778   6.597
  490    HB3  LYS  61           HB3      LYS  61  -1.334 -34.332   8.157
  491    HG2  LYS  61           HG2      LYS  61  -2.306 -32.040   8.534
  492    HG3  LYS  61           HG3      LYS  61  -1.852 -31.654   6.858
  493    HD2  LYS  61           HD2      LYS  61  -3.232 -33.544   6.048
  494    HD3  LYS  61           HD3      LYS  61  -3.686 -33.924   7.722
  495    HE2  LYS  61           HE2      LYS  61  -4.685 -31.641   7.943
  496    HE3  LYS  61           HE3      LYS  61  -4.288 -31.318   6.249
  497    HZ1  LYS  61           HZ3      LYS  61  -5.762 -33.157   5.632
  498    HZ2  LYS  61           HZ1      LYS  61  -6.130 -33.441   7.200
  499    HZ3  LYS  61           HZ2      LYS  61  -6.577 -32.043   6.498
  500    H    ASN  62           H        ASN  62   1.760 -33.484   6.238
  501    HA   ASN  62           HA       ASN  62   2.537 -36.148   6.872
  502    HB2  ASN  62           HB2      ASN  62   2.424 -35.250   4.553
  503    HB3  ASN  62           HB3      ASN  62   3.814 -34.210   4.898
  504   HD21  ASN  62          HD22      ASN  62   2.829 -37.713   5.008
  505   HD22  ASN  62          HD21      ASN  62   4.399 -38.314   4.558
  506    H    GLY  63           H        GLY  63   4.176 -33.024   7.261
  507    HA2  GLY  63           HA2      GLY  63   5.817 -32.384   8.761
  508    HA3  GLY  63           HA3      GLY  63   5.812 -34.005   9.461
  509    H    SER  64           H        SER  64   8.252 -33.019   9.315
  510    HA   SER  64           HA       SER  64   9.593 -33.260   6.837
  511    HG   SER  64           HG       SER  64   9.816 -31.414   9.353
  512    HB2  SER  64           HB2      SER  64  11.339 -33.788   9.090
  513    HB3  SER  64           HB3      SER  64  11.296 -32.402   8.013
  514    HA   PRO  65           HA       PRO  65  10.175 -37.646   6.333
  515    HB2  PRO  65           HB2      PRO  65  13.104 -37.033   5.905
  516    HB3  PRO  65           HB3      PRO  65  12.014 -38.061   4.923
  517    HG2  PRO  65           HG2      PRO  65  12.636 -35.552   4.105
  518    HG3  PRO  65           HG3      PRO  65  10.950 -36.149   3.971
  519    HD2  PRO  65           HD2      PRO  65  12.135 -34.332   6.078
  520    HD3  PRO  65           HD3      PRO  65  10.564 -34.223   5.226
  521    H    PHE  66           H        PHE  66  12.426 -35.934   8.461
  522    HA   PHE  66           HA       PHE  66  13.238 -38.377   9.873
  523    HD1  PHE  66           HD1      PHE  66  15.415 -39.017  10.368
  524    HD2  PHE  66           HD2      PHE  66  15.429 -35.080  12.125
  525    HE1  PHE  66           HE1      PHE  66  17.080 -39.767  12.043
  526    HE2  PHE  66           HE2      PHE  66  17.097 -35.832  13.801
  527    HZ   PHE  66           HZ       PHE  66  17.935 -38.177  13.757
  528    HB2  PHE  66           HB2      PHE  66  14.809 -36.539   9.136
  529    HB3  PHE  66           HB3      PHE  66  14.033 -35.473  10.297
  530    H    SER  67           H        SER  67  10.432 -36.850  10.043
  531    HA   SER  67           HA       SER  67  10.287 -36.527  13.005
  532    HG   SER  67           HG       SER  67  10.420 -33.454  10.993
  533    HB2  SER  67           HB2      SER  67   8.862 -34.941  10.839
  534    HB3  SER  67           HB3      SER  67   8.898 -34.590  12.570
  535    H    LYS  68           H        LYS  68   7.909 -36.566  13.737
  536    HA   LYS  68           HA       LYS  68   6.080 -38.105  12.045
  537    HB2  LYS  68           HB2      LYS  68   7.268 -39.941  13.146
  538    HB3  LYS  68           HB3      LYS  68   7.041 -39.205  14.721
  539    HG2  LYS  68           HG2      LYS  68   5.494 -41.046  14.427
  540    HG3  LYS  68           HG3      LYS  68   4.633 -39.534  14.627
  541    HD2  LYS  68           HD2      LYS  68   3.524 -40.871  12.960
  542    HD3  LYS  68           HD3      LYS  68   4.205 -39.449  12.164
  543    HE2  LYS  68           HE2      LYS  68   6.157 -40.815  11.423
  544    HE3  LYS  68           HE3      LYS  68   5.482 -42.220  12.260
  545    HZ1  LYS  68           HZ3      LYS  68   3.588 -42.132  10.744
  546    HZ2  LYS  68           HZ1      LYS  68   4.207 -40.832   9.968
  547    HZ3  LYS  68           HZ2      LYS  68   4.974 -42.267   9.901
  548    H    VAL  69           H        VAL  69   4.746 -36.363  12.026
  549    HA   VAL  69           HA       VAL  69   3.808 -34.950  14.381
  550    HB   VAL  69           HB       VAL  69   2.660 -35.364  11.578
  551   HG11  VAL  69          HG11      VAL  69   1.296 -33.314  12.063
  552   HG12  VAL  69          HG12      VAL  69   0.822 -34.714  13.027
  553   HG13  VAL  69          HG13      VAL  69   1.798 -33.431  13.766
  554   HG21  VAL  69          HG23      VAL  69   4.823 -34.164  11.557
  555   HG22  VAL  69          HG21      VAL  69   3.496 -33.089  11.140
  556   HG23  VAL  69          HG22      VAL  69   4.203 -33.015  12.759
  557    H    THR  70           H        THR  70   2.142 -35.602  15.751
  558    HA   THR  70           HA       THR  70   0.575 -38.027  15.012
  559    HB   THR  70           HB       THR  70   0.589 -38.591  17.413
  560    HG1  THR  70           HG1      THR  70   1.790 -37.445  18.823
  561   HG21  THR  70          HG23      THR  70   2.877 -39.423  17.539
  562   HG22  THR  70          HG21      THR  70   2.347 -39.528  15.852
  563   HG23  THR  70          HG22      THR  70   3.431 -38.216  16.359
  564    H    ASP  71           H        ASP  71   0.458 -34.651  15.888
  565    HA   ASP  71           HA       ASP  71  -2.443 -34.760  15.583
  566    HB2  ASP  71           HB2      ASP  71  -2.201 -34.984  18.043
  567    HB3  ASP  71           HB3      ASP  71  -1.158 -33.560  18.073
  568    H    ILE  72           H        ILE  72  -3.277 -32.677  14.963
  569    HA   ILE  72           HA       ILE  72  -1.480 -30.442  14.633
  570    HB   ILE  72           HB       ILE  72  -0.893 -31.803  12.679
  571   HG12  ILE  72          HG12      ILE  72  -2.465 -29.298  11.958
  572   HG13  ILE  72          HG13      ILE  72  -0.785 -29.394  12.492
  573   HG21  ILE  72          HG21      ILE  72  -3.779 -31.602  11.734
  574   HG22  ILE  72          HG22      ILE  72  -2.429 -32.422  10.924
  575   HG23  ILE  72          HG23      ILE  72  -3.050 -33.062  12.436
  576   HD11  ILE  72          HD13      ILE  72  -0.754 -29.094  10.131
  577   HD12  ILE  72          HD11      ILE  72  -0.318 -30.796  10.415
  578   HD13  ILE  72          HD12      ILE  72  -1.955 -30.355   9.870
  579    H    SER  73           H        SER  73  -2.685 -28.506  14.316
  580    HA   SER  73           HA       SER  73  -5.620 -28.631  14.034
  581    HG   SER  73           HG       SER  73  -5.830 -29.485  16.425
  582    HB2  SER  73           HB2      SER  73  -4.251 -27.118  16.302
  583    HB3  SER  73           HB3      SER  73  -5.986 -27.219  15.986
  584    H    VAL  74           H        VAL  74  -6.478 -26.403  13.582
  585    HA   VAL  74           HA       VAL  74  -4.484 -24.558  12.417
  586    HB   VAL  74           HB       VAL  74  -6.934 -25.628  10.949
  587   HG11  VAL  74          HG11      VAL  74  -4.663 -23.837   9.973
  588   HG12  VAL  74          HG12      VAL  74  -5.950 -24.514   8.957
  589   HG13  VAL  74          HG13      VAL  74  -6.354 -23.352  10.213
  590   HG21  VAL  74          HG23      VAL  74  -5.322 -26.731   9.399
  591   HG22  VAL  74          HG21      VAL  74  -3.997 -26.309  10.505
  592   HG23  VAL  74          HG22      VAL  74  -5.285 -27.426  11.014
  593    H    THR  75           H        THR  75  -5.250 -22.410  12.276
  594    HA   THR  75           HA       THR  75  -7.951 -21.733  13.250
  595    HB   THR  75           HB       THR  75  -5.691 -19.929  14.061
  596    HG1  THR  75           HG1      THR  75  -6.145 -22.439  15.215
  597   HG21  THR  75          HG23      THR  75  -8.248 -20.776  15.471
  598   HG22  THR  75          HG21      THR  75  -7.098 -19.546  16.039
  599   HG23  THR  75          HG22      THR  75  -8.004 -19.279  14.543
  600    H    GLU  76           H        GLU  76  -8.469 -19.408  12.380
  601    HA   GLU  76           HA       GLU  76  -6.881 -18.742   9.951
  602    HB2  GLU  76           HB2      GLU  76  -9.815 -19.547  10.095
  603    HB3  GLU  76           HB3      GLU  76  -9.206 -18.480   8.833
  604    HG2  GLU  76           HG2      GLU  76  -7.563 -20.194   8.152
  605    HG3  GLU  76           HG3      GLU  76  -8.236 -21.310   9.347
  606    H    SER  77           H        SER  77  -7.263 -16.705   9.121
  607    HA   SER  77           HA       SER  77  -9.393 -15.043  10.251
  608    HG   SER  77           HG       SER  77  -6.063 -14.082  11.564
  609    HB2  SER  77           HB2      SER  77  -6.671 -13.844   9.609
  610    HB3  SER  77           HB3      SER  77  -8.069 -13.033  10.302
  611    H    ARG  78           H        ARG  78 -10.433 -13.983   8.490
  612    HA   ARG  78           HA       ARG  78  -9.685 -15.150   5.889
  613    HE   ARG  78           HE       ARG  78 -12.616 -16.528   4.385
  614    HB2  ARG  78           HB2      ARG  78 -12.235 -13.722   6.725
  615    HB3  ARG  78           HB3      ARG  78 -11.961 -14.528   5.182
  616    HG2  ARG  78           HG2      ARG  78 -12.025 -15.907   7.896
  617    HG3  ARG  78           HG3      ARG  78 -13.326 -15.894   6.717
  618    HD2  ARG  78           HD2      ARG  78 -10.575 -17.121   6.251
  619    HD3  ARG  78           HD3      ARG  78 -12.027 -18.010   6.727
  620   HH11  ARG  78          HH21      ARG  78 -10.702 -19.451   5.346
  621   HH12  ARG  78          HH22      ARG  78 -10.744 -20.046   3.689
  622   HH21  ARG  78          HH11      ARG  78 -12.592 -17.531   2.256
  623   HH22  ARG  78          HH12      ARG  78 -11.733 -19.053   2.081
  624    H    SER  79           H        SER  79  -8.192 -12.972   7.075
  625    HA   SER  79           HA       SER  79  -8.004 -11.173   4.775
  626    HG   SER  79           HG       SER  79 -10.035  -9.099   6.953
  627    HB2  SER  79           HB2      SER  79  -8.122 -10.154   7.654
  628    HB3  SER  79           HB3      SER  79  -7.873  -9.179   6.197
  629    H    LEU  80           H        LEU  80  -5.802  -9.773   5.412
  630    HA   LEU  80           HA       LEU  80  -3.880 -11.429   6.870
  631    HG   LEU  80           HG       LEU  80  -2.712  -9.605   3.772
  632    HB2  LEU  80           HB2      LEU  80  -2.362 -11.684   5.109
  633    HB3  LEU  80           HB3      LEU  80  -3.877 -12.339   4.540
  634   HD11  LEU  80          HD11      LEU  80  -2.677 -12.301   2.371
  635   HD12  LEU  80          HD12      LEU  80  -2.198 -10.758   1.610
  636   HD13  LEU  80          HD13      LEU  80  -1.295 -11.395   2.990
  637   HD21  LEU  80          HD23      LEU  80  -5.119 -11.158   2.720
  638   HD22  LEU  80          HD21      LEU  80  -5.103  -9.525   3.419
  639   HD23  LEU  80          HD22      LEU  80  -4.358  -9.801   1.851
  640    H    GLU  81           H        GLU  81  -1.867 -10.237   7.282
  641    HA   GLU  81           HA       GLU  81  -2.217  -7.280   7.114
  642    HB2  GLU  81           HB2      GLU  81  -2.342  -7.041   9.483
  643    HB3  GLU  81           HB3      GLU  81  -3.557  -8.223   9.007
  644    HG2  GLU  81           HG2      GLU  81  -1.870 -10.041   9.647
  645    HG3  GLU  81           HG3      GLU  81  -0.864  -8.772  10.333
  646    H    GLY  82           H        GLY  82   0.052  -9.831   6.974
  647    HA2  GLY  82           HA2      GLY  82   2.278  -7.972   7.739
  648    HA3  GLY  82           HA3      GLY  82   2.109  -9.567   8.477
  649    H    HIS  83           H        HIS  83   1.109 -10.216   5.462
  650    HA   HIS  83           HA       HIS  83   3.122 -11.713   4.606
  651    HD1  HIS  83           HD1      HIS  83   3.274 -10.269   0.888
  652    HD2  HIS  83           HD2      HIS  83   1.249 -13.740   2.138
  653    HE1  HIS  83           HE1      HIS  83   3.683 -12.027  -0.908
  654    HB2  HIS  83           HB2      HIS  83   0.892 -11.666   3.647
  655    HB3  HIS  83           HB3      HIS  83   1.198 -10.109   2.881
  656    H    HIS  84           H        HIS  84   5.237 -11.347   4.280
  657    HA   HIS  84           HA       HIS  84   6.077  -9.404   2.263
  658    HD1  HIS  84           HD1      HIS  84   9.631  -8.464   5.179
  659    HD2  HIS  84           HD2      HIS  84   7.532  -7.373   1.695
  660    HE1  HIS  84           HE1      HIS  84  11.285  -7.204   3.714
  661    HB2  HIS  84           HB2      HIS  84   6.188  -8.064   4.326
  662    HB3  HIS  84           HB3      HIS  84   7.163  -9.304   5.112
  663    H    ARG  85           H        ARG  85   7.215 -11.798   4.746
  664    HA   ARG  85           HA       ARG  85   8.525 -13.404   2.693
  665    HE   ARG  85           HE       ARG  85  11.732 -13.889   6.561
  666    HB2  ARG  85           HB2      ARG  85  10.703 -13.409   3.794
  667    HB3  ARG  85           HB3      ARG  85  10.325 -11.801   3.212
  668    HG2  ARG  85           HG2      ARG  85   9.925 -10.942   5.392
  669    HG3  ARG  85           HG3      ARG  85   9.780 -12.543   6.122
  670    HD2  ARG  85           HD2      ARG  85  12.346 -11.454   4.911
  671    HD3  ARG  85           HD3      ARG  85  11.941 -11.392   6.633
  672   HH11  ARG  85          HH11      ARG  85  14.167 -12.168   4.635
  673   HH12  ARG  85          HH12      ARG  85  15.088 -13.582   4.283
  674   HH21  ARG  85          HH21      ARG  85  12.763 -15.773   5.849
  675   HH22  ARG  85          HH22      ARG  85  14.329 -15.692   5.099
  676    H    PHE  86           H        PHE  86   9.711 -15.329   4.132
  677    HA   PHE  86           HA       PHE  86   7.837 -15.997   6.332
  678    HD1  PHE  86           HD2      PHE  86   9.639 -19.354   6.698
  679    HD2  PHE  86           HD1      PHE  86   5.670 -18.092   5.597
  680    HE1  PHE  86           HE2      PHE  86   8.673 -20.903   8.373
  681    HE2  PHE  86           HE1      PHE  86   4.712 -19.594   7.316
  682    HZ   PHE  86           HZ       PHE  86   6.209 -20.996   8.711
  683    HB2  PHE  86           HB2      PHE  86   7.573 -17.423   4.269
  684    HB3  PHE  86           HB3      PHE  86   9.194 -18.041   4.578
  685    H    SER  87           H        SER  87   8.813 -16.481   8.305
  686    HA   SER  87           HA       SER  87  11.811 -16.669   8.327
  687    HG   SER  87           HG       SER  87  10.995 -13.228   8.862
  688    HB2  SER  87           HB2      SER  87  10.052 -14.905  10.064
  689    HB3  SER  87           HB3      SER  87  11.822 -14.997  10.099
  690    H    ILE  88           H        ILE  88  12.769 -17.942   9.878
  691    HA   ILE  88           HA       ILE  88  11.072 -19.440  11.780
  692    HB   ILE  88           HB       ILE  88  14.081 -19.364  11.303
  693   HG12  ILE  88          HG12      ILE  88  12.115 -21.636  10.728
  694   HG13  ILE  88          HG13      ILE  88  12.548 -20.445   9.512
  695   HG21  ILE  88          HG21      ILE  88  12.425 -21.117  13.178
  696   HG22  ILE  88          HG22      ILE  88  14.151 -21.363  12.819
  697   HG23  ILE  88          HG23      ILE  88  13.634 -19.909  13.658
  698   HD11  ILE  88          HD13      ILE  88  13.884 -22.383   9.165
  699   HD12  ILE  88          HD11      ILE  88  14.928 -21.059   9.709
  700   HD13  ILE  88          HD12      ILE  88  14.483 -22.372  10.832
  701    H    VAL  89           H        VAL  89  10.879 -18.821  13.934
  702    HA   VAL  89           HA       VAL  89  12.472 -16.585  14.971
  703    HB   VAL  89           HB       VAL  89  10.402 -15.722  13.788
  704   HG11  VAL  89          HG11      VAL  89   8.783 -17.466  14.462
  705   HG12  VAL  89          HG12      VAL  89   8.876 -16.898  16.142
  706   HG13  VAL  89          HG13      VAL  89   8.239 -15.836  14.875
  707   HG21  VAL  89          HG23      VAL  89  11.630 -14.415  15.501
  708   HG22  VAL  89          HG21      VAL  89   9.911 -14.025  15.373
  709   HG23  VAL  89          HG22      VAL  89  10.480 -14.999  16.732
  710    H    TYR  90           H        TYR  90  11.751 -16.328  17.428
  711    HA   TYR  90           HA       TYR  90  11.611 -19.066  18.601
  712    HD1  TYR  90           HD1      TYR  90  14.231 -20.476  18.680
  713    HD2  TYR  90           HD2      TYR  90  14.567 -16.508  17.021
  714    HE1  TYR  90           HE1      TYR  90  15.694 -21.356  16.871
  715    HE2  TYR  90           HE2      TYR  90  16.000 -17.376  15.204
  716    HH   TYR  90           HH       TYR  90  17.033 -19.255  14.284
  717    HB2  TYR  90           HB2      TYR  90  13.605 -16.865  19.254
  718    HB3  TYR  90           HB3      TYR  90  13.547 -18.467  19.971
  719    H    SER  91           H        SER  91   9.922 -16.274  18.555
  720    HA   SER  91           HA       SER  91   9.009 -16.466  21.336
  721    HG   SER  91           HG       SER  91  11.437 -13.811  21.751
  722    HB2  SER  91           HB2      SER  91   9.867 -13.829  20.052
  723    HB3  SER  91           HB3      SER  91   9.140 -14.042  21.648
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -7.320 -14.113  -0.424
    2    H2   MET   1           H2       MET   1  -7.166 -12.525  -0.089
    3    H3   MET   1           H3       MET   1  -6.288 -13.194  -1.306
    4    HA   MET   1           HA       MET   1  -5.085 -14.567   0.262
    5    HB2  MET   1           HB2      MET   1  -4.245 -12.281  -0.401
    6    HB3  MET   1           HB3      MET   1  -4.968 -11.632   1.080
    7    HG2  MET   1           HG2      MET   1  -3.470 -12.977   2.438
    8    HG3  MET   1           HG3      MET   1  -2.848 -13.798   0.995
    9    HE1  MET   1           HE3      MET   1  -1.198 -12.274   3.330
   10    HE2  MET   1           HE1      MET   1  -0.444 -13.225   2.025
   11    HE3  MET   1           HE2      MET   1   0.116 -11.568   2.359
   12    H    LEU   2           H        LEU   2  -4.727 -15.238   2.417
   13    HA   LEU   2           HA       LEU   2  -6.721 -14.501   4.500
   14    HG   LEU   2           HG       LEU   2  -7.983 -16.275   2.248
   15    HB2  LEU   2           HB2      LEU   2  -6.053 -17.293   3.455
   16    HB3  LEU   2           HB3      LEU   2  -6.870 -17.006   4.984
   17   HD11  LEU   2          HD11      LEU   2  -7.855 -18.713   2.707
   18   HD12  LEU   2          HD12      LEU   2  -8.765 -18.473   4.213
   19   HD13  LEU   2          HD13      LEU   2  -9.527 -18.134   2.643
   20   HD21  LEU   2          HD23      LEU   2  -8.865 -14.728   3.932
   21   HD22  LEU   2          HD21      LEU   2 -10.111 -15.907   3.522
   22   HD23  LEU   2          HD22      LEU   2  -9.199 -16.080   5.042
   23    H    GLN   3           H        GLN   3  -6.079 -15.418   6.584
   24    HA   GLN   3           HA       GLN   3  -3.165 -15.942   6.915
   25    HB2  GLN   3           HB2      GLN   3  -3.880 -13.872   8.068
   26    HB3  GLN   3           HB3      GLN   3  -5.227 -14.730   8.806
   27    HG2  GLN   3           HG2      GLN   3  -3.623 -16.162  10.066
   28    HG3  GLN   3           HG3      GLN   3  -2.284 -15.294   9.313
   29   HE21  GLN   3          HE22      GLN   3  -2.313 -12.822   9.672
   30   HE22  GLN   3          HE21      GLN   3  -2.818 -12.280  11.272
   31    H    TYR   4           H        TYR   4  -2.716 -17.877   7.869
   32    HA   TYR   4           HA       TYR   4  -4.874 -19.495   9.136
   33    HD1  TYR   4           HD1      TYR   4  -5.489 -19.340   6.455
   34    HD2  TYR   4           HD2      TYR   4  -3.765 -23.202   7.282
   35    HE1  TYR   4           HE1      TYR   4  -7.123 -20.379   4.942
   36    HE2  TYR   4           HE2      TYR   4  -5.405 -24.256   5.746
   37    HH   TYR   4           HH       TYR   4  -7.156 -23.915   4.287
   38    HB2  TYR   4           HB2      TYR   4  -2.576 -20.340   7.336
   39    HB3  TYR   4           HB3      TYR   4  -3.157 -21.391   8.602
   40    H    ARG   5           H        ARG   5  -4.138 -20.578  11.004
   41    HA   ARG   5           HA       ARG   5  -1.366 -20.092  11.960
   42    HE   ARG   5           HE       ARG   5  -0.918 -19.537  17.047
   43    HB2  ARG   5           HB2      ARG   5  -3.039 -18.647  13.235
   44    HB3  ARG   5           HB3      ARG   5  -3.867 -20.134  13.697
   45    HG2  ARG   5           HG2      ARG   5  -1.607 -20.859  14.782
   46    HG3  ARG   5           HG3      ARG   5  -1.104 -19.167  14.525
   47    HD2  ARG   5           HD2      ARG   5  -3.180 -18.447  15.774
   48    HD3  ARG   5           HD3      ARG   5  -3.546 -20.163  16.066
   49   HH11  ARG   5          HH21      ARG   5  -4.357 -19.012  17.839
   50   HH12  ARG   5          HH22      ARG   5  -4.070 -18.865  19.532
   51   HH21  ARG   5          HH11      ARG   5  -0.551 -19.336  19.197
   52   HH22  ARG   5          HH12      ARG   5  -1.833 -19.047  20.358
   53    H    ILE   6           H        ILE   6  -0.484 -22.076  12.709
   54    HA   ILE   6           HA       ILE   6  -2.284 -24.435  12.740
   55    HB   ILE   6           HB       ILE   6   0.436 -24.412  11.370
   56   HG12  ILE   6          HG12      ILE   6  -1.150 -25.039   9.328
   57   HG13  ILE   6          HG13      ILE   6  -2.329 -24.072  10.204
   58   HG21  ILE   6          HG21      ILE   6  -0.104 -26.577  12.316
   59   HG22  ILE   6          HG22      ILE   6  -1.726 -26.540  11.597
   60   HG23  ILE   6          HG23      ILE   6  -0.291 -26.665  10.570
   61   HD11  ILE   6          HD13      ILE   6  -1.133 -22.827   8.438
   62   HD12  ILE   6          HD11      ILE   6  -0.773 -22.111  10.018
   63   HD13  ILE   6          HD12      ILE   6   0.419 -23.167   9.229
   64    H    ILE   7           H        ILE   7  -1.684 -25.966  14.245
   65    HA   ILE   7           HA       ILE   7   0.620 -25.407  16.034
   66    HB   ILE   7           HB       ILE   7  -2.228 -26.121  16.866
   67   HG12  ILE   7          HG12      ILE   7  -2.145 -23.727  16.240
   68   HG13  ILE   7          HG13      ILE   7  -2.467 -23.983  17.937
   69   HG21  ILE   7          HG21      ILE   7  -1.366 -25.787  19.195
   70   HG22  ILE   7          HG22      ILE   7  -0.646 -27.164  18.354
   71   HG23  ILE   7          HG23      ILE   7   0.280 -25.658  18.529
   72   HD11  ILE   7          HD13      ILE   7  -0.223 -23.304  18.565
   73   HD12  ILE   7          HD11      ILE   7   0.288 -23.267  16.866
   74   HD13  ILE   7          HD12      ILE   7  -0.900 -22.096  17.458
   75    H    VAL   8           H        VAL   8   1.690 -27.367  16.541
   76    HA   VAL   8           HA       VAL   8   0.474 -29.897  15.531
   77    HB   VAL   8           HB       VAL   8   3.361 -29.247  14.934
   78   HG11  VAL   8          HG11      VAL   8   2.991 -30.825  13.069
   79   HG12  VAL   8          HG12      VAL   8   2.579 -31.548  14.624
   80   HG13  VAL   8          HG13      VAL   8   1.290 -30.985  13.540
   81   HG21  VAL   8          HG23      VAL   8   2.220 -27.341  13.854
   82   HG22  VAL   8          HG21      VAL   8   2.827 -28.483  12.667
   83   HG23  VAL   8          HG22      VAL   8   1.095 -28.471  13.057
   84    H    ASP   9           H        ASP   9   1.329 -31.808  16.558
   85    HA   ASP   9           HA       ASP   9   3.419 -31.484  18.609
   86    HB2  ASP   9           HB2      ASP   9   1.214 -31.175  19.778
   87    HB3  ASP   9           HB3      ASP   9   0.715 -32.748  19.166
   88    H    GLY  10           H        GLY  10   4.292 -33.604  19.247
   89    HA2  GLY  10           HA2      GLY  10   3.996 -36.116  18.687
   90    HA3  GLY  10           HA3      GLY  10   4.219 -35.566  17.020
   91    H    ARG  11           H        ARG  11   6.174 -36.830  16.912
   92    HA   ARG  11           HA       ARG  11   8.562 -35.710  18.280
   93    HE   ARG  11           HE       ARG  11  11.134 -38.184  14.348
   94    HB2  ARG  11           HB2      ARG  11   8.519 -38.147  17.659
   95    HB3  ARG  11           HB3      ARG  11   8.415 -37.678  15.955
   96    HG2  ARG  11           HG2      ARG  11  10.581 -36.406  16.229
   97    HG3  ARG  11           HG3      ARG  11  10.657 -36.964  17.900
   98    HD2  ARG  11           HD2      ARG  11  12.103 -38.336  16.557
   99    HD3  ARG  11           HD3      ARG  11  10.752 -39.315  17.110
  100   HH11  ARG  11          HH21      ARG  11   9.706 -40.734  16.393
  101   HH12  ARG  11          HH22      ARG  11   9.199 -41.689  15.052
  102   HH21  ARG  11          HH11      ARG  11  10.458 -39.388  12.642
  103   HH22  ARG  11          HH12      ARG  11   9.636 -40.909  12.835
  104    H    VAL  12           H        VAL  12   8.156 -33.527  17.716
  105    HA   VAL  12           HA       VAL  12   8.418 -32.848  14.828
  106    HB   VAL  12           HB       VAL  12   6.693 -31.131  15.152
  107   HG11  VAL  12          HG11      VAL  12   4.760 -32.561  15.115
  108   HG12  VAL  12          HG12      VAL  12   6.094 -33.362  14.262
  109   HG13  VAL  12          HG13      VAL  12   5.641 -33.882  15.891
  110   HG21  VAL  12          HG23      VAL  12   6.865 -30.772  17.604
  111   HG22  VAL  12          HG21      VAL  12   5.208 -31.133  17.100
  112   HG23  VAL  12          HG22      VAL  12   6.180 -32.376  17.893
  113    H    GLN  13           H        GLN  13  10.381 -32.855  17.159
  114    HA   GLN  13           HA       GLN  13  11.509 -30.235  16.503
  115    HB2  GLN  13           HB2      GLN  13  11.518 -31.250  19.383
  116    HB3  GLN  13           HB3      GLN  13  12.219 -29.763  18.736
  117    HG2  GLN  13           HG2      GLN  13   9.776 -29.128  18.102
  118    HG3  GLN  13           HG3      GLN  13   9.292 -30.455  19.146
  119   HE21  GLN  13          HE22      GLN  13   8.150 -28.734  20.347
  120   HE22  GLN  13          HE21      GLN  13   9.042 -27.722  21.478
  121    H    GLY  14           H        GLY  14  13.771 -30.359  16.430
  122    HA2  GLY  14           HA2      GLY  14  15.860 -31.314  16.381
  123    HA3  GLY  14           HA3      GLY  14  15.313 -32.628  17.444
  124    H    VAL  15           H        VAL  15  13.746 -31.649  14.396
  125    HA   VAL  15           HA       VAL  15  14.639 -34.148  13.038
  126    HB   VAL  15           HB       VAL  15  12.259 -34.540  12.334
  127   HG11  VAL  15          HG11      VAL  15  13.360 -35.902  14.072
  128   HG12  VAL  15          HG12      VAL  15  12.712 -34.816  15.321
  129   HG13  VAL  15          HG13      VAL  15  11.613 -35.757  14.293
  130   HG21  VAL  15          HG23      VAL  15  10.430 -33.676  13.740
  131   HG22  VAL  15          HG21      VAL  15  11.564 -32.597  14.569
  132   HG23  VAL  15          HG22      VAL  15  11.241 -32.390  12.837
  133    H    GLY  16           H        GLY  16  14.155 -30.783  12.885
  134    HA2  GLY  16           HA2      GLY  16  14.976 -29.492  11.103
  135    HA3  GLY  16           HA3      GLY  16  14.670 -30.816   9.957
  136    H    PHE  17           H        PHE  17  12.363 -29.831  12.549
  137    HA   PHE  17           HA       PHE  17  10.237 -29.832  10.577
  138    HD1  PHE  17           HD2      PHE  17   7.955 -27.573  11.801
  139    HD2  PHE  17           HD1      PHE  17   8.331 -31.745  12.793
  140    HE1  PHE  17           HE2      PHE  17   5.565 -27.931  11.231
  141    HE2  PHE  17           HE1      PHE  17   5.951 -32.101  12.210
  142    HZ   PHE  17           HZ       PHE  17   4.565 -30.201  11.409
  143    HB2  PHE  17           HB2      PHE  17  10.150 -30.344  13.155
  144    HB3  PHE  17           HB3      PHE  17   9.918 -28.614  13.324
  145    H    ARG  18           H        ARG  18  11.964 -27.202  12.430
  146    HA   ARG  18           HA       ARG  18  10.398 -25.096  11.240
  147    HE   ARG  18           HE       ARG  18  13.077 -26.044  14.825
  148    HB2  ARG  18           HB2      ARG  18  13.177 -25.171  12.481
  149    HB3  ARG  18           HB3      ARG  18  12.436 -23.684  11.914
  150    HG2  ARG  18           HG2      ARG  18  10.641 -23.791  13.456
  151    HG3  ARG  18           HG3      ARG  18  10.974 -25.466  13.904
  152    HD2  ARG  18           HD2      ARG  18  12.946 -23.207  14.417
  153    HD3  ARG  18           HD3      ARG  18  11.688 -23.687  15.570
  154   HH11  ARG  18          HH21      ARG  18  13.805 -22.986  16.549
  155   HH12  ARG  18          HH22      ARG  18  14.883 -23.733  17.671
  156   HH21  ARG  18          HH11      ARG  18  14.328 -27.013  16.368
  157   HH22  ARG  18          HH12      ARG  18  15.269 -26.089  17.529
  158    H    TYR  19           H        TYR  19  13.439 -26.668  10.179
  159    HA   TYR  19           HA       TYR  19  13.903 -24.966   7.932
  160    HD1  TYR  19           HD2      TYR  19  16.361 -25.010   6.732
  161    HD2  TYR  19           HD1      TYR  19  14.725 -28.994   6.405
  162    HE1  TYR  19           HE2      TYR  19  17.270 -25.188   4.438
  163    HE2  TYR  19           HE1      TYR  19  15.632 -29.180   4.108
  164    HH   TYR  19           HH       TYR  19  17.493 -26.528   2.544
  165    HB2  TYR  19           HB2      TYR  19  15.643 -26.422   8.782
  166    HB3  TYR  19           HB3      TYR  19  14.663 -27.857   8.499
  167    H    PHE  20           H        PHE  20  12.074 -28.067   8.250
  168    HA   PHE  20           HA       PHE  20  11.357 -28.315   5.542
  169    HD1  PHE  20           HD2      PHE  20  10.310 -30.905   4.796
  170    HD2  PHE  20           HD1      PHE  20   7.660 -29.155   7.719
  171    HE1  PHE  20           HE2      PHE  20   8.359 -31.886   3.619
  172    HE2  PHE  20           HE1      PHE  20   5.714 -30.134   6.532
  173    HZ   PHE  20           HZ       PHE  20   6.064 -31.526   4.502
  174    HB2  PHE  20           HB2      PHE  20  11.107 -30.142   7.092
  175    HB3  PHE  20           HB3      PHE  20  10.020 -29.224   8.117
  176    H    VAL  21           H        VAL  21   9.512 -26.726   8.229
  177    HA   VAL  21           HA       VAL  21   7.399 -25.860   6.541
  178    HB   VAL  21           HB       VAL  21   8.440 -24.742   9.176
  179   HG11  VAL  21          HG11      VAL  21   5.742 -24.342   7.823
  180   HG12  VAL  21          HG12      VAL  21   6.176 -23.772   9.443
  181   HG13  VAL  21          HG13      VAL  21   6.977 -23.082   8.027
  182   HG21  VAL  21          HG23      VAL  21   6.139 -26.650   8.536
  183   HG22  VAL  21          HG21      VAL  21   7.653 -27.125   9.295
  184   HG23  VAL  21          HG22      VAL  21   6.561 -26.038  10.151
  185    H    GLN  22           H        GLN  22  10.553 -24.288   7.323
  186    HA   GLN  22           HA       GLN  22  10.047 -21.786   6.066
  187    HB2  GLN  22           HB2      GLN  22  11.878 -22.201   7.593
  188    HB3  GLN  22           HB3      GLN  22  12.614 -23.337   6.467
  189    HG2  GLN  22           HG2      GLN  22  13.832 -21.342   6.233
  190    HG3  GLN  22           HG3      GLN  22  12.808 -21.465   4.803
  191   HE21  GLN  22          HE22      GLN  22  11.176 -19.896   4.445
  192   HE22  GLN  22          HE21      GLN  22  11.138 -18.413   5.402
  193    H    MET  23           H        MET  23  11.376 -24.878   4.680
  194    HA   MET  23           HA       MET  23  11.597 -23.544   2.095
  195    HB2  MET  23           HB2      MET  23  12.356 -25.613   1.186
  196    HB3  MET  23           HB3      MET  23  13.198 -25.275   2.696
  197    HG2  MET  23           HG2      MET  23  11.862 -26.947   3.862
  198    HG3  MET  23           HG3      MET  23  10.874 -27.224   2.421
  199    HE1  MET  23           HE3      MET  23  11.246 -29.785   2.694
  200    HE2  MET  23           HE1      MET  23  12.830 -30.593   2.660
  201    HE3  MET  23           HE2      MET  23  12.368 -29.621   4.070
  202    H    GLU  24           H        GLU  24   9.097 -25.613   3.630
  203    HA   GLU  24           HA       GLU  24   7.616 -25.976   1.201
  204    HB2  GLU  24           HB2      GLU  24   6.896 -26.148   4.156
  205    HB3  GLU  24           HB3      GLU  24   5.724 -26.444   2.879
  206    HG2  GLU  24           HG2      GLU  24   8.311 -28.019   3.237
  207    HG3  GLU  24           HG3      GLU  24   6.702 -28.535   3.735
  208    H    ALA  25           H        ALA  25   7.693 -23.362   3.631
  209    HA   ALA  25           HA       ALA  25   5.524 -21.867   2.437
  210    HB1  ALA  25           HB3      ALA  25   6.314 -21.368   4.715
  211    HB2  ALA  25           HB1      ALA  25   7.931 -20.973   4.096
  212    HB3  ALA  25           HB2      ALA  25   6.544 -19.959   3.665
  213    H    ASP  26           H        ASP  26   9.109 -21.903   2.034
  214    HA   ASP  26           HA       ASP  26   9.301 -19.711   0.298
  215    HB2  ASP  26           HB2      ASP  26  11.248 -20.771   1.431
  216    HB3  ASP  26           HB3      ASP  26  11.061 -22.188   0.406
  217    H    LYS  27           H        LYS  27   8.910 -23.200  -0.514
  218    HA   LYS  27           HA       LYS  27   9.121 -22.726  -3.305
  219    HB2  LYS  27           HB2      LYS  27   8.523 -25.015  -3.659
  220    HB3  LYS  27           HB3      LYS  27   9.617 -24.861  -2.301
  221    HG2  LYS  27           HG2      LYS  27   8.201 -26.397  -1.442
  222    HG3  LYS  27           HG3      LYS  27   7.410 -24.940  -0.848
  223    HD2  LYS  27           HD2      LYS  27   5.799 -25.064  -2.750
  224    HD3  LYS  27           HD3      LYS  27   6.604 -26.505  -3.353
  225    HE2  LYS  27           HE2      LYS  27   5.353 -26.289  -0.570
  226    HE3  LYS  27           HE3      LYS  27   4.485 -26.892  -1.983
  227    HZ1  LYS  27           HZ3      LYS  27   5.501 -28.644  -0.594
  228    HZ2  LYS  27           HZ1      LYS  27   6.050 -28.708  -2.154
  229    HZ3  LYS  27           HZ2      LYS  27   6.965 -28.115  -0.899
  230    H    ARG  28           H        ARG  28   6.445 -21.953  -1.279
  231    HA   ARG  28           HA       ARG  28   4.798 -21.500  -3.721
  232    HE   ARG  28           HE       ARG  28   1.859 -22.329  -3.915
  233    HB2  ARG  28           HB2      ARG  28   3.991 -22.034  -0.822
  234    HB3  ARG  28           HB3      ARG  28   2.906 -21.424  -2.047
  235    HG2  ARG  28           HG2      ARG  28   3.983 -23.638  -3.345
  236    HG3  ARG  28           HG3      ARG  28   4.005 -24.151  -1.656
  237    HD2  ARG  28           HD2      ARG  28   2.008 -24.945  -2.684
  238    HD3  ARG  28           HD3      ARG  28   1.551 -23.679  -1.527
  239   HH11  ARG  28          HH21      ARG  28  -0.219 -25.176  -3.044
  240   HH12  ARG  28          HH22      ARG  28  -1.435 -24.676  -4.157
  241   HH21  ARG  28          HH11      ARG  28   0.152 -21.845  -5.404
  242   HH22  ARG  28          HH12      ARG  28  -1.240 -22.877  -5.461
  243    H    LYS  29           H        LYS  29   7.003 -19.920  -1.999
  244    HA   LYS  29           HA       LYS  29   7.326 -17.917  -1.044
  245    HB2  LYS  29           HB2      LYS  29   5.815 -17.063  -3.536
  246    HB3  LYS  29           HB3      LYS  29   6.849 -16.008  -2.573
  247    HG2  LYS  29           HG2      LYS  29   7.813 -18.512  -4.026
  248    HG3  LYS  29           HG3      LYS  29   7.953 -16.864  -4.631
  249    HD2  LYS  29           HD2      LYS  29   9.416 -16.228  -2.778
  250    HD3  LYS  29           HD3      LYS  29   9.231 -17.825  -2.029
  251    HE2  LYS  29           HE2      LYS  29  10.215 -18.895  -4.028
  252    HE3  LYS  29           HE3      LYS  29  10.458 -17.301  -4.763
  253    HZ1  LYS  29           HZ3      LYS  29  12.460 -18.103  -3.674
  254    HZ2  LYS  29           HZ1      LYS  29  11.936 -16.764  -2.906
  255    HZ3  LYS  29           HZ2      LYS  29  11.696 -18.246  -2.232
  256    H    LEU  30           H        LEU  30   5.348 -19.118   0.293
  257    HA   LEU  30           HA       LEU  30   3.216 -17.254   0.988
  258    HG   LEU  30           HG       LEU  30   2.993 -20.264   0.581
  259    HB2  LEU  30           HB2      LEU  30   4.554 -19.598   2.413
  260    HB3  LEU  30           HB3      LEU  30   3.278 -18.647   3.147
  261   HD11  LEU  30          HD11      LEU  30   3.171 -21.674   2.582
  262   HD12  LEU  30          HD12      LEU  30   1.908 -20.729   3.393
  263   HD13  LEU  30          HD13      LEU  30   1.519 -21.693   1.951
  264   HD21  LEU  30          HD23      LEU  30   1.025 -18.535   2.131
  265   HD22  LEU  30          HD21      LEU  30   1.471 -18.409   0.411
  266   HD23  LEU  30          HD22      LEU  30   0.521 -19.779   0.977
  267    H    ALA  31           H        ALA  31   3.187 -16.241   3.190
  268    HA   ALA  31           HA       ALA  31   5.852 -15.331   4.119
  269    HB1  ALA  31           HB3      ALA  31   4.755 -13.547   2.722
  270    HB2  ALA  31           HB1      ALA  31   3.363 -13.585   3.836
  271    HB3  ALA  31           HB2      ALA  31   4.971 -13.084   4.412
  272    H    GLY  32           H        GLY  32   5.806 -14.832   6.512
  273    HA2  GLY  32           HA2      GLY  32   3.855 -15.172   8.378
  274    HA3  GLY  32           HA3      GLY  32   4.037 -16.807   7.743
  275    H    TRP  33           H        TRP  33   4.657 -17.378   9.958
  276    HA   TRP  33           HA       TRP  33   7.494 -17.515   9.960
  277    HD1  TRP  33           HD1      TRP  33   4.825 -17.814  13.097
  278    HE1  TRP  33           HE1      TRP  33   3.416 -16.374  14.637
  279    HE3  TRP  33           HE3      TRP  33   7.313 -13.369  12.528
  280    HZ2  TRP  33           HZ2      TRP  33   3.345 -13.615  15.531
  281    HZ3  TRP  33           HZ3      TRP  33   6.565 -11.357  13.769
  282    HH2  TRP  33           HH2      TRP  33   4.581 -11.465  15.265
  283    HB2  TRP  33           HB2      TRP  33   7.828 -16.881  12.351
  284    HB3  TRP  33           HB3      TRP  33   7.435 -15.555  11.292
  285    H    VAL  34           H        VAL  34   8.360 -19.042  11.613
  286    HA   VAL  34           HA       VAL  34   6.362 -20.933  12.716
  287    HB   VAL  34           HB       VAL  34   7.080 -21.879  10.570
  288   HG11  VAL  34          HG11      VAL  34   9.368 -20.866  10.399
  289   HG12  VAL  34          HG12      VAL  34   9.924 -21.987  11.651
  290   HG13  VAL  34          HG13      VAL  34   9.346 -22.611  10.098
  291   HG21  VAL  34          HG23      VAL  34   6.593 -23.366  12.526
  292   HG22  VAL  34          HG21      VAL  34   7.686 -24.093  11.337
  293   HG23  VAL  34          HG22      VAL  34   8.326 -23.460  12.856
  294    H    LYS  35           H        LYS  35   6.995 -21.871  14.668
  295    HA   LYS  35           HA       LYS  35   9.807 -21.834  15.401
  296    HB2  LYS  35           HB2      LYS  35   9.536 -20.849  17.595
  297    HB3  LYS  35           HB3      LYS  35   9.045 -19.693  16.369
  298    HG2  LYS  35           HG2      LYS  35   6.657 -20.179  16.831
  299    HG3  LYS  35           HG3      LYS  35   7.134 -21.380  18.045
  300    HD2  LYS  35           HD2      LYS  35   8.336 -19.590  19.312
  301    HD3  LYS  35           HD3      LYS  35   7.722 -18.383  18.173
  302    HE2  LYS  35           HE2      LYS  35   5.970 -20.275  19.809
  303    HE3  LYS  35           HE3      LYS  35   6.410 -18.660  20.360
  304    HZ1  LYS  35           HZ3      LYS  35   4.202 -19.013  19.144
  305    HZ2  LYS  35           HZ1      LYS  35   5.098 -17.689  18.730
  306    HZ3  LYS  35           HZ2      LYS  35   5.066 -19.018  17.766
  307    H    ASN  36           H        ASN  36  10.095 -23.282  17.382
  308    HA   ASN  36           HA       ASN  36   7.737 -24.870  18.030
  309    HB2  ASN  36           HB2      ASN  36   8.826 -26.981  18.112
  310    HB3  ASN  36           HB3      ASN  36   8.864 -26.336  16.486
  311   HD21  ASN  36          HD22      ASN  36  10.519 -27.910  15.992
  312   HD22  ASN  36          HD21      ASN  36  12.182 -27.634  16.390
  313    H    ARG  37           H        ARG  37   7.909 -25.851  20.144
  314    HA   ARG  37           HA       ARG  37   8.692 -23.430  21.700
  315    HE   ARG  37           HE       ARG  37   4.026 -24.456  22.081
  316    HB2  ARG  37           HB2      ARG  37   6.190 -25.183  21.554
  317    HB3  ARG  37           HB3      ARG  37   6.396 -23.867  22.715
  318    HG2  ARG  37           HG2      ARG  37   6.299 -22.201  21.067
  319    HG3  ARG  37           HG3      ARG  37   6.640 -23.319  19.744
  320    HD2  ARG  37           HD2      ARG  37   4.284 -22.441  19.878
  321    HD3  ARG  37           HD3      ARG  37   4.499 -24.174  19.656
  322   HH11  ARG  37          HH21      ARG  37   2.686 -21.472  20.520
  323   HH12  ARG  37          HH22      ARG  37   1.276 -21.534  21.496
  324   HH21  ARG  37          HH11      ARG  37   2.101 -24.524  23.217
  325   HH22  ARG  37          HH12      ARG  37   0.954 -23.231  23.082
  326    H    ASP  38           H        ASP  38   9.058 -23.624  23.981
  327    HA   ASP  38           HA       ASP  38  10.184 -26.058  24.982
  328    HB2  ASP  38           HB2      ASP  38  10.729 -23.867  25.925
  329    HB3  ASP  38           HB3      ASP  38   9.051 -23.628  26.423
  330    H    ASP  39           H        ASP  39   6.926 -24.791  24.910
  331    HA   ASP  39           HA       ASP  39   5.521 -26.569  26.586
  332    HB2  ASP  39           HB2      ASP  39   4.581 -24.526  25.700
  333    HB3  ASP  39           HB3      ASP  39   4.846 -25.061  24.042
  334    H    GLY  40           H        GLY  40   7.174 -27.246  23.605
  335    HA2  GLY  40           HA2      GLY  40   7.673 -29.463  23.002
  336    HA3  GLY  40           HA3      GLY  40   6.087 -30.005  23.565
  337    H    ARG  41           H        ARG  41   4.765 -27.652  22.210
  338    HA   ARG  41           HA       ARG  41   4.180 -29.036  19.755
  339    HE   ARG  41           HE       ARG  41  -0.869 -28.795  21.580
  340    HB2  ARG  41           HB2      ARG  41   3.238 -26.370  20.911
  341    HB3  ARG  41           HB3      ARG  41   2.580 -27.093  19.442
  342    HG2  ARG  41           HG2      ARG  41   1.900 -29.107  20.695
  343    HG3  ARG  41           HG3      ARG  41   2.539 -28.415  22.196
  344    HD2  ARG  41           HD2      ARG  41   0.929 -26.540  22.037
  345    HD3  ARG  41           HD3      ARG  41   0.336 -27.184  20.509
  346   HH11  ARG  41          HH21      ARG  41   1.291 -27.266  23.986
  347   HH12  ARG  41          HH22      ARG  41   0.526 -28.029  25.329
  348   HH21  ARG  41          HH11      ARG  41  -1.865 -29.797  23.387
  349   HH22  ARG  41          HH12      ARG  41  -1.301 -29.493  24.983
  350    H    VAL  42           H        VAL  42   3.974 -27.854  17.715
  351    HA   VAL  42           HA       VAL  42   6.106 -25.827  17.194
  352    HB   VAL  42           HB       VAL  42   4.555 -27.365  15.073
  353   HG11  VAL  42          HG11      VAL  42   6.324 -26.659  13.549
  354   HG12  VAL  42          HG12      VAL  42   5.608 -25.250  14.313
  355   HG13  VAL  42          HG13      VAL  42   7.186 -25.846  14.866
  356   HG21  VAL  42          HG23      VAL  42   7.283 -28.105  16.201
  357   HG22  VAL  42          HG21      VAL  42   5.794 -29.072  16.215
  358   HG23  VAL  42          HG22      VAL  42   6.602 -28.741  14.689
  359    H    GLU  43           H        GLU  43   5.324 -23.898  16.219
  360    HA   GLU  43           HA       GLU  43   2.401 -23.621  15.866
  361    HB2  GLU  43           HB2      GLU  43   2.770 -22.765  18.066
  362    HB3  GLU  43           HB3      GLU  43   4.215 -21.867  17.559
  363    HG2  GLU  43           HG2      GLU  43   2.906 -20.292  16.298
  364    HG3  GLU  43           HG3      GLU  43   1.447 -21.278  16.447
  365    H    ILE  44           H        ILE  44   1.897 -22.384  14.124
  366    HA   ILE  44           HA       ILE  44   4.054 -21.095  12.565
  367    HB   ILE  44           HB       ILE  44   1.893 -22.765  11.284
  368   HG12  ILE  44          HG12      ILE  44   4.500 -23.968  12.277
  369   HG13  ILE  44          HG13      ILE  44   2.865 -24.427  12.743
  370   HG21  ILE  44          HG21      ILE  44   3.516 -22.869   9.421
  371   HG22  ILE  44          HG22      ILE  44   3.246 -21.204   9.901
  372   HG23  ILE  44          HG23      ILE  44   4.719 -22.044  10.432
  373   HD11  ILE  44          HD13      ILE  44   2.449 -25.118  10.344
  374   HD12  ILE  44          HD11      ILE  44   4.190 -24.920  10.064
  375   HD13  ILE  44          HD12      ILE  44   3.627 -26.092  11.258
  376    H    LEU  45           H        LEU  45   3.249 -19.358  11.326
  377    HA   LEU  45           HA       LEU  45   0.337 -18.836  11.255
  378    HG   LEU  45           HG       LEU  45  -0.625 -16.621  12.049
  379    HB2  LEU  45           HB2      LEU  45   1.434 -17.494  13.121
  380    HB3  LEU  45           HB3      LEU  45   2.425 -16.702  11.898
  381   HD11  LEU  45          HD11      LEU  45   1.464 -14.534  12.825
  382   HD12  LEU  45          HD12      LEU  45  -0.301 -14.305  12.855
  383   HD13  LEU  45          HD13      LEU  45   0.453 -15.475  13.942
  384   HD21  LEU  45          HD23      LEU  45  -0.105 -16.135   9.769
  385   HD22  LEU  45          HD21      LEU  45  -0.254 -14.555  10.517
  386   HD23  LEU  45          HD22      LEU  45   1.360 -15.224  10.199
  387    H    ALA  46           H        ALA  46  -0.129 -18.467   9.063
  388    HA   ALA  46           HA       ALA  46   2.086 -17.678   7.264
  389    HB1  ALA  46           HB3      ALA  46   0.356 -20.158   6.862
  390    HB2  ALA  46           HB1      ALA  46   1.530 -19.497   5.700
  391    HB3  ALA  46           HB2      ALA  46   2.094 -20.133   7.258
  392    H    GLU  47           H        GLU  47   1.365 -16.667   5.377
  393    HA   GLU  47           HA       GLU  47  -1.510 -15.975   5.235
  394    HB2  GLU  47           HB2      GLU  47   0.801 -13.971   5.182
  395    HB3  GLU  47           HB3      GLU  47  -0.935 -13.629   5.066
  396    HG2  GLU  47           HG2      GLU  47  -1.156 -14.735   7.372
  397    HG3  GLU  47           HG3      GLU  47   0.605 -14.627   7.489
  398    H    GLY  48           H        GLY  48  -2.244 -15.850   3.139
  399    HA2  GLY  48           HA2      GLY  48  -0.810 -15.347   0.772
  400    HA3  GLY  48           HA3      GLY  48  -0.557 -17.053   1.157
  401    HA   PRO  49           HA       PRO  49  -4.679 -16.829  -0.977
  402    HB2  PRO  49           HB2      PRO  49  -4.162 -18.534  -3.055
  403    HB3  PRO  49           HB3      PRO  49  -3.802 -16.782  -3.117
  404    HG2  PRO  49           HG2      PRO  49  -1.909 -19.056  -2.520
  405    HG3  PRO  49           HG3      PRO  49  -1.646 -17.650  -3.594
  406    HD2  PRO  49           HD2      PRO  49  -0.709 -17.768  -1.004
  407    HD3  PRO  49           HD3      PRO  49  -1.189 -16.232  -1.784
  408    H    GLU  50           H        GLU  50  -6.227 -18.501  -0.856
  409    HA   GLU  50           HA       GLU  50  -5.960 -20.246   1.300
  410    HB2  GLU  50           HB2      GLU  50  -8.084 -19.346   0.343
  411    HB3  GLU  50           HB3      GLU  50  -7.903 -20.423  -1.045
  412    HG2  GLU  50           HG2      GLU  50  -8.004 -22.392   0.510
  413    HG3  GLU  50           HG3      GLU  50  -8.227 -21.283   1.865
  414    H    ASN  51           H        ASN  51  -5.625 -20.983  -2.215
  415    HA   ASN  51           HA       ASN  51  -5.450 -23.792  -1.921
  416    HB2  ASN  51           HB2      ASN  51  -5.823 -22.725  -4.098
  417    HB3  ASN  51           HB3      ASN  51  -4.228 -21.964  -4.036
  418   HD21  ASN  51          HD22      ASN  51  -5.831 -25.219  -4.091
  419   HD22  ASN  51          HD21      ASN  51  -4.492 -26.014  -4.871
  420    H    ALA  52           H        ALA  52  -2.895 -21.319  -1.784
  421    HA   ALA  52           HA       ALA  52  -0.729 -23.233  -1.566
  422    HB1  ALA  52           HB3      ALA  52  -0.334 -20.933  -2.381
  423    HB2  ALA  52           HB1      ALA  52  -0.843 -20.287  -0.801
  424    HB3  ALA  52           HB2      ALA  52   0.627 -21.277  -0.931
  425    H    LEU  53           H        LEU  53  -2.679 -21.355   0.779
  426    HA   LEU  53           HA       LEU  53  -1.357 -22.319   3.126
  427    HG   LEU  53           HG       LEU  53  -2.572 -20.382   4.979
  428    HB2  LEU  53           HB2      LEU  53  -3.988 -21.048   2.439
  429    HB3  LEU  53           HB3      LEU  53  -3.906 -21.892   3.961
  430   HD11  LEU  53          HD11      LEU  53  -0.554 -20.446   3.656
  431   HD12  LEU  53          HD12      LEU  53  -1.350 -19.527   2.342
  432   HD13  LEU  53          HD13      LEU  53  -1.014 -18.771   3.915
  433   HD21  LEU  53          HD23      LEU  53  -3.289 -18.127   4.430
  434   HD22  LEU  53          HD21      LEU  53  -3.670 -18.606   2.758
  435   HD23  LEU  53          HD22      LEU  53  -4.637 -19.228   4.097
  436    H    GLN  54           H        GLN  54  -4.049 -23.767   1.200
  437    HA   GLN  54           HA       GLN  54  -4.405 -25.962   2.979
  438    HB2  GLN  54           HB2      GLN  54  -4.992 -25.561   0.021
  439    HB3  GLN  54           HB3      GLN  54  -5.334 -27.071   0.850
  440    HG2  GLN  54           HG2      GLN  54  -6.470 -24.366   1.683
  441    HG3  GLN  54           HG3      GLN  54  -7.310 -25.558   0.698
  442   HE21  GLN  54          HE22      GLN  54  -7.759 -27.739   1.729
  443   HE22  GLN  54          HE21      GLN  54  -7.977 -27.795   3.459
  444    H    SER  55           H        SER  55  -2.311 -25.745  -0.050
  445    HA   SER  55           HA       SER  55  -1.251 -28.341   0.235
  446    HG   SER  55           HG       SER  55  -1.434 -27.531  -2.186
  447    HB2  SER  55           HB2      SER  55   0.314 -25.883  -0.661
  448    HB3  SER  55           HB3      SER  55   0.608 -27.567  -1.123
  449    H    PHE  56           H        PHE  56  -0.263 -25.297   1.808
  450    HA   PHE  56           HA       PHE  56   2.114 -26.240   3.003
  451    HD1  PHE  56           HD1      PHE  56   3.909 -24.449   3.549
  452    HD2  PHE  56           HD2      PHE  56   0.515 -23.245   5.936
  453    HE1  PHE  56           HE1      PHE  56   5.438 -23.524   5.272
  454    HE2  PHE  56           HE2      PHE  56   2.049 -22.364   7.661
  455    HZ   PHE  56           HZ       PHE  56   4.508 -22.432   7.298
  456    HB2  PHE  56           HB2      PHE  56   1.497 -23.908   2.619
  457    HB3  PHE  56           HB3      PHE  56   0.173 -24.023   3.763
  458    H    VAL  57           H        VAL  57  -1.294 -26.066   4.308
  459    HA   VAL  57           HA       VAL  57  -0.706 -27.305   6.793
  460    HB   VAL  57           HB       VAL  57  -3.229 -27.146   5.107
  461   HG11  VAL  57          HG11      VAL  57  -3.480 -29.215   6.415
  462   HG12  VAL  57          HG12      VAL  57  -2.967 -28.371   7.893
  463   HG13  VAL  57          HG13      VAL  57  -4.498 -27.945   7.091
  464   HG21  VAL  57          HG23      VAL  57  -2.391 -25.060   6.231
  465   HG22  VAL  57          HG21      VAL  57  -3.946 -25.610   6.878
  466   HG23  VAL  57          HG22      VAL  57  -2.459 -25.908   7.786
  467    H    GLU  58           H        GLU  58  -1.644 -28.761   3.617
  468    HA   GLU  58           HA       GLU  58  -1.849 -31.415   4.468
  469    HB2  GLU  58           HB2      GLU  58  -0.970 -30.253   1.805
  470    HB3  GLU  58           HB3      GLU  58  -1.251 -31.967   2.046
  471    HG2  GLU  58           HG2      GLU  58  -3.432 -29.956   2.700
  472    HG3  GLU  58           HG3      GLU  58  -3.129 -30.465   1.043
  473    H    ALA  59           H        ALA  59   1.031 -29.615   3.436
  474    HA   ALA  59           HA       ALA  59   2.888 -31.782   3.669
  475    HB1  ALA  59           HB3      ALA  59   3.339 -28.767   3.860
  476    HB2  ALA  59           HB1      ALA  59   4.584 -29.994   3.588
  477    HB3  ALA  59           HB2      ALA  59   3.329 -29.728   2.365
  478    H    VAL  60           H        VAL  60   1.924 -29.154   5.950
  479    HA   VAL  60           HA       VAL  60   3.739 -29.890   8.013
  480    HB   VAL  60           HB       VAL  60   1.155 -28.290   8.000
  481   HG11  VAL  60          HG11      VAL  60   1.500 -29.099  10.315
  482   HG12  VAL  60          HG12      VAL  60   3.181 -28.546  10.264
  483   HG13  VAL  60          HG13      VAL  60   1.843 -27.380  10.191
  484   HG21  VAL  60          HG23      VAL  60   2.635 -26.363   8.080
  485   HG22  VAL  60          HG21      VAL  60   4.056 -27.400   8.323
  486   HG23  VAL  60          HG22      VAL  60   3.228 -27.386   6.770
  487    H    LYS  61           H        LYS  61   0.545 -31.283   7.152
  488    HA   LYS  61           HA       LYS  61   0.123 -32.707   9.561
  489    HB2  LYS  61           HB2      LYS  61  -0.321 -33.953   6.830
  490    HB3  LYS  61           HB3      LYS  61  -1.128 -34.336   8.351
  491    HG2  LYS  61           HG2      LYS  61  -2.117 -31.967   8.274
  492    HG3  LYS  61           HG3      LYS  61  -1.494 -31.889   6.623
  493    HD2  LYS  61           HD2      LYS  61  -3.594 -33.789   7.695
  494    HD3  LYS  61           HD3      LYS  61  -3.792 -32.485   6.515
  495    HE2  LYS  61           HE2      LYS  61  -2.075 -33.798   5.061
  496    HE3  LYS  61           HE3      LYS  61  -2.361 -35.151   6.167
  497    HZ1  LYS  61           HZ3      LYS  61  -4.336 -33.780   4.450
  498    HZ2  LYS  61           HZ1      LYS  61  -3.819 -35.326   4.295
  499    HZ3  LYS  61           HZ2      LYS  61  -4.763 -34.925   5.568
  500    H    ASN  62           H        ASN  62   2.468 -33.338   6.952
  501    HA   ASN  62           HA       ASN  62   3.203 -35.931   8.068
  502    HB2  ASN  62           HB2      ASN  62   3.282 -35.487   5.604
  503    HB3  ASN  62           HB3      ASN  62   4.575 -34.316   5.878
  504   HD21  ASN  62          HD22      ASN  62   6.723 -35.118   6.419
  505   HD22  ASN  62          HD21      ASN  62   7.095 -36.824   6.349
  506    H    GLY  63           H        GLY  63   4.516 -32.640   7.858
  507    HA2  GLY  63           HA2      GLY  63   6.202 -31.588   9.116
  508    HA3  GLY  63           HA3      GLY  63   6.443 -33.071  10.052
  509    H    SER  64           H        SER  64   8.785 -32.615   9.607
  510    HA   SER  64           HA       SER  64   9.874 -32.686   6.968
  511    HG   SER  64           HG       SER  64  12.190 -33.457  10.195
  512    HB2  SER  64           HB2      SER  64  11.999 -32.866   8.084
  513    HB3  SER  64           HB3      SER  64  10.994 -31.794   9.053
  514    HA   PRO  65           HA       PRO  65  10.242 -37.080   6.014
  515    HB2  PRO  65           HB2      PRO  65  13.233 -36.649   6.038
  516    HB3  PRO  65           HB3      PRO  65  12.233 -37.528   4.840
  517    HG2  PRO  65           HG2      PRO  65  13.088 -35.020   4.301
  518    HG3  PRO  65           HG3      PRO  65  11.390 -35.475   3.934
  519    HD2  PRO  65           HD2      PRO  65  12.458 -33.958   6.321
  520    HD3  PRO  65           HD3      PRO  65  11.019 -33.607   5.315
  521    H    PHE  66           H        PHE  66  11.748 -35.734   8.868
  522    HA   PHE  66           HA       PHE  66  12.242 -38.453   9.994
  523    HD1  PHE  66           HD1      PHE  66  14.907 -39.105   9.697
  524    HD2  PHE  66           HD2      PHE  66  14.524 -34.882   8.890
  525    HE1  PHE  66           HE1      PHE  66  16.561 -39.302   7.855
  526    HE2  PHE  66           HE2      PHE  66  16.175 -35.085   7.049
  527    HZ   PHE  66           HZ       PHE  66  17.197 -37.295   6.527
  528    HB2  PHE  66           HB2      PHE  66  13.487 -35.817  10.825
  529    HB3  PHE  66           HB3      PHE  66  13.915 -37.421  11.399
  530    H    SER  67           H        SER  67  10.018 -35.896  10.101
  531    HA   SER  67           HA       SER  67   9.524 -35.792  12.954
  532    HG   SER  67           HG       SER  67   9.898 -33.857  10.916
  533    HB2  SER  67           HB2      SER  67   7.845 -35.035  10.524
  534    HB3  SER  67           HB3      SER  67   7.458 -34.624  12.203
  535    H    LYS  68           H        LYS  68   7.529 -36.500  13.888
  536    HA   LYS  68           HA       LYS  68   5.784 -38.287  12.380
  537    HB2  LYS  68           HB2      LYS  68   7.184 -39.958  13.460
  538    HB3  LYS  68           HB3      LYS  68   7.004 -39.174  15.028
  539    HG2  LYS  68           HG2      LYS  68   5.627 -41.185  14.855
  540    HG3  LYS  68           HG3      LYS  68   4.635 -39.754  15.117
  541    HD2  LYS  68           HD2      LYS  68   4.026 -39.717  12.709
  542    HD3  LYS  68           HD3      LYS  68   5.069 -41.131  12.426
  543    HE2  LYS  68           HE2      LYS  68   3.687 -42.446  14.022
  544    HE3  LYS  68           HE3      LYS  68   2.667 -41.030  14.312
  545    HZ1  LYS  68           HZ3      LYS  68   2.952 -42.410  11.704
  546    HZ2  LYS  68           HZ1      LYS  68   1.674 -42.531  12.704
  547    HZ3  LYS  68           HZ2      LYS  68   2.000 -41.108  11.983
  548    H    VAL  69           H        VAL  69   4.453 -36.482  12.364
  549    HA   VAL  69           HA       VAL  69   3.579 -35.024  14.689
  550    HB   VAL  69           HB       VAL  69   2.326 -35.590  11.966
  551   HG11  VAL  69          HG11      VAL  69   0.927 -33.552  12.390
  552   HG12  VAL  69          HG12      VAL  69   0.519 -34.908  13.440
  553   HG13  VAL  69          HG13      VAL  69   1.485 -33.565  14.079
  554   HG21  VAL  69          HG23      VAL  69   4.451 -34.329  11.803
  555   HG22  VAL  69          HG21      VAL  69   3.082 -33.296  11.401
  556   HG23  VAL  69          HG22      VAL  69   3.849 -33.155  12.991
  557    H    THR  70           H        THR  70   1.932 -35.551  16.140
  558    HA   THR  70           HA       THR  70   0.365 -38.040  15.658
  559    HB   THR  70           HB       THR  70   0.386 -38.349  18.105
  560    HG1  THR  70           HG1      THR  70   1.568 -37.051  19.390
  561   HG21  THR  70          HG23      THR  70   2.690 -39.125  18.338
  562   HG22  THR  70          HG21      THR  70   2.137 -39.455  16.685
  563   HG23  THR  70          HG22      THR  70   3.221 -38.082  17.000
  564    H    ASP  71           H        ASP  71   0.284 -34.592  16.324
  565    HA   ASP  71           HA       ASP  71  -2.626 -34.664  16.041
  566    HB2  ASP  71           HB2      ASP  71  -2.359 -34.787  18.500
  567    HB3  ASP  71           HB3      ASP  71  -1.278 -33.392  18.459
  568    H    ILE  72           H        ILE  72  -3.425 -32.618  15.317
  569    HA   ILE  72           HA       ILE  72  -1.631 -30.397  14.904
  570    HB   ILE  72           HB       ILE  72  -0.941 -31.776  13.043
  571   HG12  ILE  72          HG12      ILE  72  -2.738 -29.546  12.008
  572   HG13  ILE  72          HG13      ILE  72  -1.154 -29.315  12.755
  573   HG21  ILE  72          HG21      ILE  72  -3.820 -31.888  12.060
  574   HG22  ILE  72          HG22      ILE  72  -2.395 -32.601  11.278
  575   HG23  ILE  72          HG23      ILE  72  -2.948 -33.239  12.815
  576   HD11  ILE  72          HD13      ILE  72  -0.906 -29.214  10.362
  577   HD12  ILE  72          HD11      ILE  72  -0.133 -30.710  10.938
  578   HD13  ILE  72          HD12      ILE  72  -1.724 -30.762  10.144
  579    H    SER  73           H        SER  73  -2.817 -28.496  14.543
  580    HA   SER  73           HA       SER  73  -5.755 -28.634  14.197
  581    HG   SER  73           HG       SER  73  -5.543 -28.480  17.795
  582    HB2  SER  73           HB2      SER  73  -4.346 -27.083  16.418
  583    HB3  SER  73           HB3      SER  73  -6.081 -27.076  16.070
  584    H    VAL  74           H        VAL  74  -6.599 -26.625  13.363
  585    HA   VAL  74           HA       VAL  74  -4.617 -24.654  12.386
  586    HB   VAL  74           HB       VAL  74  -6.782 -25.993  10.705
  587   HG11  VAL  74          HG11      VAL  74  -4.663 -23.932   9.945
  588   HG12  VAL  74          HG12      VAL  74  -5.704 -24.798   8.794
  589   HG13  VAL  74          HG13      VAL  74  -6.420 -23.691   9.958
  590   HG21  VAL  74          HG23      VAL  74  -4.926 -26.955   9.375
  591   HG22  VAL  74          HG21      VAL  74  -3.758 -26.318  10.552
  592   HG23  VAL  74          HG22      VAL  74  -4.932 -27.570  11.026
  593    H    THR  75           H        THR  75  -5.451 -22.584  12.203
  594    HA   THR  75           HA       THR  75  -8.289 -22.028  12.786
  595    HB   THR  75           HB       THR  75  -6.021 -20.517  14.140
  596    HG1  THR  75           HG1      THR  75  -6.348 -21.711  15.962
  597   HG21  THR  75          HG23      THR  75  -9.017 -20.678  14.698
  598   HG22  THR  75          HG21      THR  75  -7.839 -19.837  15.729
  599   HG23  THR  75          HG22      THR  75  -8.118 -19.270  14.085
  600    H    GLU  76           H        GLU  76  -8.717 -19.649  12.070
  601    HA   GLU  76           HA       GLU  76  -6.977 -18.892   9.777
  602    HB2  GLU  76           HB2      GLU  76  -9.914 -19.704   9.774
  603    HB3  GLU  76           HB3      GLU  76  -9.236 -18.658   8.523
  604    HG2  GLU  76           HG2      GLU  76  -7.617 -20.323   7.892
  605    HG3  GLU  76           HG3      GLU  76  -8.152 -21.423   9.169
  606    H    SER  77           H        SER  77  -7.552 -16.778   8.894
  607    HA   SER  77           HA       SER  77  -9.582 -15.164  10.195
  608    HG   SER  77           HG       SER  77  -8.119 -15.649  12.019
  609    HB2  SER  77           HB2      SER  77  -6.640 -14.348  10.375
  610    HB3  SER  77           HB3      SER  77  -8.000 -13.252  10.660
  611    H    ARG  78           H        ARG  78 -10.268 -13.496   8.837
  612    HA   ARG  78           HA       ARG  78  -9.316 -13.495   6.053
  613    HE   ARG  78           HE       ARG  78 -13.096 -16.100   6.024
  614    HB2  ARG  78           HB2      ARG  78 -11.231 -11.561   7.450
  615    HB3  ARG  78           HB3      ARG  78 -10.978 -11.726   5.718
  616    HG2  ARG  78           HG2      ARG  78 -12.303 -13.747   7.573
  617    HG3  ARG  78           HG3      ARG  78 -13.074 -12.748   6.341
  618    HD2  ARG  78           HD2      ARG  78 -11.692 -13.956   4.589
  619    HD3  ARG  78           HD3      ARG  78 -11.089 -15.004   5.876
  620   HH11  ARG  78          HH21      ARG  78 -13.491 -13.347   3.809
  621   HH12  ARG  78          HH22      ARG  78 -15.007 -13.884   3.188
  622   HH21  ARG  78          HH11      ARG  78 -15.115 -16.810   5.198
  623   HH22  ARG  78          HH12      ARG  78 -15.948 -15.896   4.000
  624    H    SER  79           H        SER  79  -9.138 -11.363   8.945
  625    HA   SER  79           HA       SER  79  -7.595  -9.292   7.875
  626    HG   SER  79           HG       SER  79  -9.291  -9.023  11.074
  627    HB2  SER  79           HB2      SER  79  -7.493 -10.422  10.703
  628    HB3  SER  79           HB3      SER  79  -7.192  -8.751  10.193
  629    H    LEU  80           H        LEU  80  -5.341  -8.867   8.261
  630    HA   LEU  80           HA       LEU  80  -3.568 -11.268   8.240
  631    HG   LEU  80           HG       LEU  80  -5.133 -10.231   5.571
  632    HB2  LEU  80           HB2      LEU  80  -3.321  -8.790   6.488
  633    HB3  LEU  80           HB3      LEU  80  -2.229 -10.169   6.504
  634   HD11  LEU  80          HD11      LEU  80  -2.523 -10.283   4.002
  635   HD12  LEU  80          HD12      LEU  80  -4.160 -10.443   3.322
  636   HD13  LEU  80          HD13      LEU  80  -3.669  -8.929   4.091
  637   HD21  LEU  80          HD23      LEU  80  -4.495 -12.428   6.405
  638   HD22  LEU  80          HD21      LEU  80  -4.538 -12.463   4.643
  639   HD23  LEU  80          HD22      LEU  80  -2.974 -12.387   5.491
  640    H    GLU  81           H        GLU  81  -1.504 -10.906   9.070
  641    HA   GLU  81           HA       GLU  81  -0.983  -8.498  10.715
  642    HB2  GLU  81           HB2      GLU  81   0.571 -11.036  10.077
  643    HB3  GLU  81           HB3      GLU  81   1.287  -9.690  10.960
  644    HG2  GLU  81           HG2      GLU  81  -1.161 -11.272  11.851
  645    HG3  GLU  81           HG3      GLU  81   0.478 -11.509  12.439
  646    H    GLY  82           H        GLY  82  -0.074 -10.044   7.632
  647    HA2  GLY  82           HA2      GLY  82   0.314  -8.843   5.649
  648    HA3  GLY  82           HA3      GLY  82   0.713  -7.382   6.566
  649    H    HIS  83           H        HIS  83   1.965 -10.770   6.901
  650    HA   HIS  83           HA       HIS  83   4.702  -9.971   7.159
  651    HD1  HIS  83           HD1      HIS  83   1.770 -12.244   8.513
  652    HD2  HIS  83           HD2      HIS  83   5.912 -12.684   9.133
  653    HE1  HIS  83           HE1      HIS  83   2.076 -12.900  10.977
  654    HB2  HIS  83           HB2      HIS  83   3.425 -12.605   6.306
  655    HB3  HIS  83           HB3      HIS  83   5.137 -12.381   6.652
  656    H    HIS  84           H        HIS  84   6.387 -10.018   5.626
  657    HA   HIS  84           HA       HIS  84   5.584  -9.947   2.744
  658    HD1  HIS  84           HD1      HIS  84   4.509  -7.523   4.829
  659    HD2  HIS  84           HD2      HIS  84   6.670  -6.452   1.365
  660    HE1  HIS  84           HE1      HIS  84   3.288  -5.562   3.806
  661    HB2  HIS  84           HB2      HIS  84   7.499  -8.243   4.361
  662    HB3  HIS  84           HB3      HIS  84   7.665  -8.409   2.624
  663    H    ARG  85           H        ARG  85   7.299 -11.806   4.973
  664    HA   ARG  85           HA       ARG  85   8.402 -13.409   2.843
  665    HE   ARG  85           HE       ARG  85  11.669 -14.217   6.535
  666    HB2  ARG  85           HB2      ARG  85  10.636 -13.644   3.826
  667    HB3  ARG  85           HB3      ARG  85  10.380 -12.011   3.243
  668    HG2  ARG  85           HG2      ARG  85  10.224 -11.091   5.417
  669    HG3  ARG  85           HG3      ARG  85   9.925 -12.652   6.187
  670    HD2  ARG  85           HD2      ARG  85  12.535 -11.927   4.807
  671    HD3  ARG  85           HD3      ARG  85  12.243 -11.742   6.546
  672   HH11  ARG  85          HH21      ARG  85  14.338 -12.794   4.682
  673   HH12  ARG  85          HH22      ARG  85  15.158 -14.292   4.446
  674   HH21  ARG  85          HH11      ARG  85  12.580 -16.214   5.971
  675   HH22  ARG  85          HH12      ARG  85  14.186 -16.292   5.313
  676    H    PHE  86           H        PHE  86   9.410 -15.487   4.121
  677    HA   PHE  86           HA       PHE  86   7.618 -16.014   6.438
  678    HD1  PHE  86           HD1      PHE  86   9.255 -19.438   6.728
  679    HD2  PHE  86           HD2      PHE  86   5.301 -18.039   5.719
  680    HE1  PHE  86           HE1      PHE  86   8.280 -20.952   8.411
  681    HE2  PHE  86           HE2      PHE  86   4.342 -19.493   7.476
  682    HZ   PHE  86           HZ       PHE  86   5.827 -20.946   8.825
  683    HB2  PHE  86           HB2      PHE  86   7.180 -17.402   4.375
  684    HB3  PHE  86           HB3      PHE  86   8.775 -18.112   4.592
  685    H    SER  87           H        SER  87   8.681 -16.499   8.362
  686    HA   SER  87           HA       SER  87  11.654 -16.902   8.182
  687    HG   SER  87           HG       SER  87  10.999 -13.430   8.853
  688    HB2  SER  87           HB2      SER  87  10.151 -15.107  10.115
  689    HB3  SER  87           HB3      SER  87  11.907 -15.271   9.942
  690    H    ILE  88           H        ILE  88  12.595 -18.304   9.556
  691    HA   ILE  88           HA       ILE  88  11.041 -19.704  11.626
  692    HB   ILE  88           HB       ILE  88  14.024 -19.626  10.986
  693   HG12  ILE  88          HG12      ILE  88  12.140 -21.974  10.509
  694   HG13  ILE  88          HG13      ILE  88  12.321 -20.733   9.300
  695   HG21  ILE  88          HG21      ILE  88  13.683 -20.201  13.347
  696   HG22  ILE  88          HG22      ILE  88  12.441 -21.389  12.915
  697   HG23  ILE  88          HG23      ILE  88  14.143 -21.657  12.472
  698   HD11  ILE  88          HD13      ILE  88  13.798 -22.606   8.815
  699   HD12  ILE  88          HD11      ILE  88  14.711 -21.121   9.105
  700   HD13  ILE  88          HD12      ILE  88  14.636 -22.388  10.362
  701    H    VAL  89           H        VAL  89  10.923 -18.991  13.749
  702    HA   VAL  89           HA       VAL  89  12.608 -16.701  14.590
  703    HB   VAL  89           HB       VAL  89  10.712 -15.588  15.592
  704   HG11  VAL  89          HG11      VAL  89  10.112 -16.113  12.657
  705   HG12  VAL  89          HG12      VAL  89   9.625 -14.706  13.618
  706   HG13  VAL  89          HG13      VAL  89  11.339 -14.987  13.276
  707   HG21  VAL  89          HG23      VAL  89   8.917 -17.699  14.328
  708   HG22  VAL  89          HG21      VAL  89   9.191 -17.442  16.065
  709   HG23  VAL  89          HG22      VAL  89   8.373 -16.204  15.110
  710    H    TYR  90           H        TYR  90  12.363 -16.417  17.056
  711    HA   TYR  90           HA       TYR  90  12.484 -19.096  18.351
  712    HD1  TYR  90           HD2      TYR  90  15.010 -20.603  17.939
  713    HD2  TYR  90           HD1      TYR  90  15.115 -16.740  16.019
  714    HE1  TYR  90           HE2      TYR  90  16.075 -21.626  15.948
  715    HE2  TYR  90           HE1      TYR  90  16.152 -17.756  14.014
  716    HH   TYR  90           HH       TYR  90  16.932 -21.261  13.810
  717    HB2  TYR  90           HB2      TYR  90  14.629 -16.936  18.413
  718    HB3  TYR  90           HB3      TYR  90  14.690 -18.492  19.225
  719    H    SER  91           H        SER  91  10.589 -16.727  18.503
  720    HA   SER  91           HA       SER  91  10.869 -15.130  20.724
  721    HG   SER  91           HG       SER  91   8.281 -14.610  18.255
  722    HB2  SER  91           HB2      SER  91   8.251 -16.368  19.807
  723    HB3  SER  91           HB3      SER  91   8.514 -14.775  20.532
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -5.126 -12.875  -1.455
    2    H2   MET   1           H2       MET   1  -6.484 -13.454  -0.744
    3    H3   MET   1           H3       MET   1  -5.870 -12.025  -0.261
    4    HA   MET   1           HA       MET   1  -4.600 -14.658   0.100
    5    HB2  MET   1           HB2      MET   1  -3.632 -11.866   0.846
    6    HB3  MET   1           HB3      MET   1  -3.052 -13.321   1.657
    7    HG2  MET   1           HG2      MET   1  -2.143 -14.206  -0.411
    8    HG3  MET   1           HG3      MET   1  -2.847 -12.884  -1.339
    9    HE1  MET   1           HE3      MET   1  -0.015 -13.888   1.273
   10    HE2  MET   1           HE1      MET   1   0.732 -12.313   1.593
   11    HE3  MET   1           HE2      MET   1  -0.904 -12.647   2.190
   12    H    LEU   2           H        LEU   2  -4.615 -15.470   2.233
   13    HA   LEU   2           HA       LEU   2  -6.399 -14.194   4.239
   14    HG   LEU   2           HG       LEU   2  -7.796 -15.995   1.970
   15    HB2  LEU   2           HB2      LEU   2  -6.219 -17.152   3.496
   16    HB3  LEU   2           HB3      LEU   2  -7.091 -16.518   4.886
   17   HD11  LEU   2          HD11      LEU   2  -8.235 -18.303   2.744
   18   HD12  LEU   2          HD12      LEU   2  -9.167 -17.673   4.117
   19   HD13  LEU   2          HD13      LEU   2  -9.740 -17.418   2.454
   20   HD21  LEU   2          HD23      LEU   2  -9.906 -15.023   2.943
   21   HD22  LEU   2          HD21      LEU   2  -9.145 -15.108   4.551
   22   HD23  LEU   2          HD22      LEU   2  -8.471 -14.056   3.294
   23    H    GLN   3           H        GLN   3  -5.900 -15.492   6.391
   24    HA   GLN   3           HA       GLN   3  -3.000 -16.038   6.640
   25    HB2  GLN   3           HB2      GLN   3  -3.591 -13.757   7.555
   26    HB3  GLN   3           HB3      GLN   3  -4.739 -14.526   8.633
   27    HG2  GLN   3           HG2      GLN   3  -2.886 -15.815   9.687
   28    HG3  GLN   3           HG3      GLN   3  -1.730 -15.008   8.645
   29   HE21  GLN   3          HE22      GLN   3  -1.500 -12.502   8.941
   30   HE22  GLN   3          HE21      GLN   3  -1.696 -12.012  10.625
   31    H    TYR   4           H        TYR   4  -2.595 -17.876   7.821
   32    HA   TYR   4           HA       TYR   4  -4.811 -19.282   9.241
   33    HD1  TYR   4           HD2      TYR   4  -5.775 -19.303   6.926
   34    HD2  TYR   4           HD1      TYR   4  -3.701 -23.079   7.148
   35    HE1  TYR   4           HE2      TYR   4  -7.461 -20.304   5.446
   36    HE2  TYR   4           HE1      TYR   4  -5.394 -24.095   5.662
   37    HH   TYR   4           HH       TYR   4  -7.371 -23.759   4.469
   38    HB2  TYR   4           HB2      TYR   4  -2.608 -20.415   7.467
   39    HB3  TYR   4           HB3      TYR   4  -3.291 -21.338   8.774
   40    H    ARG   5           H        ARG   5  -4.036 -20.490  11.084
   41    HA   ARG   5           HA       ARG   5  -1.230 -20.096  11.909
   42    HE   ARG   5           HE       ARG   5  -0.111 -19.387  16.724
   43    HB2  ARG   5           HB2      ARG   5  -2.778 -18.559  13.285
   44    HB3  ARG   5           HB3      ARG   5  -3.538 -20.035  13.889
   45    HG2  ARG   5           HG2      ARG   5  -1.111 -20.724  14.647
   46    HG3  ARG   5           HG3      ARG   5  -0.695 -19.029  14.324
   47    HD2  ARG   5           HD2      ARG   5  -2.593 -18.371  15.871
   48    HD3  ARG   5           HD3      ARG   5  -2.832 -20.101  16.222
   49   HH11  ARG   5          HH11      ARG   5  -3.359 -18.898  18.093
   50   HH12  ARG   5          HH12      ARG   5  -2.797 -18.695  19.709
   51   HH21  ARG   5          HH21      ARG   5   0.635 -19.135  18.851
   52   HH22  ARG   5          HH22      ARG   5  -0.471 -18.815  20.157
   53    H    ILE   6           H        ILE   6  -0.407 -22.080  12.751
   54    HA   ILE   6           HA       ILE   6  -2.252 -24.413  12.704
   55    HB   ILE   6           HB       ILE   6   0.423 -24.259  11.268
   56   HG12  ILE   6          HG12      ILE   6  -2.272 -24.518   9.884
   57   HG13  ILE   6          HG13      ILE   6  -1.484 -22.962  10.096
   58   HG21  ILE   6          HG21      ILE   6  -1.654 -26.477  11.429
   59   HG22  ILE   6          HG22      ILE   6  -0.254 -26.500  10.348
   60   HG23  ILE   6          HG23      ILE   6  -0.011 -26.498  12.092
   61   HD11  ILE   6          HD13      ILE   6   0.501 -23.730   8.866
   62   HD12  ILE   6          HD11      ILE   6  -0.337 -25.253   8.491
   63   HD13  ILE   6          HD12      ILE   6  -0.994 -23.707   7.911
   64    H    ILE   7           H        ILE   7  -1.669 -25.944  14.248
   65    HA   ILE   7           HA       ILE   7   0.741 -25.435  15.925
   66    HB   ILE   7           HB       ILE   7  -2.025 -26.230  16.924
   67   HG12  ILE   7          HG12      ILE   7  -2.161 -23.861  16.307
   68   HG13  ILE   7          HG13      ILE   7  -2.261 -24.092  18.038
   69   HG21  ILE   7          HG21      ILE   7  -1.027 -25.839  19.190
   70   HG22  ILE   7          HG22      ILE   7  -0.291 -27.179  18.306
   71   HG23  ILE   7          HG23      ILE   7   0.561 -25.628  18.417
   72   HD11  ILE   7          HD13      ILE   7   0.219 -23.186  16.546
   73   HD12  ILE   7          HD11      ILE   7  -0.882 -22.132  17.433
   74   HD13  ILE   7          HD12      ILE   7   0.087 -23.328  18.308
   75    H    VAL   8           H        VAL   8   1.815 -27.411  16.440
   76    HA   VAL   8           HA       VAL   8   0.573 -29.913  15.386
   77    HB   VAL   8           HB       VAL   8   3.459 -29.268  14.776
   78   HG11  VAL   8          HG11      VAL   8   1.354 -30.975  13.382
   79   HG12  VAL   8          HG12      VAL   8   3.055 -30.832  12.904
   80   HG13  VAL   8          HG13      VAL   8   2.640 -31.565  14.453
   81   HG21  VAL   8          HG23      VAL   8   1.174 -28.450  12.938
   82   HG22  VAL   8          HG21      VAL   8   2.317 -27.343  13.740
   83   HG23  VAL   8          HG22      VAL   8   2.904 -28.471  12.531
   84    H    ASP   9           H        ASP   9   1.311 -31.834  16.411
   85    HA   ASP   9           HA       ASP   9   3.335 -31.593  18.559
   86    HB2  ASP   9           HB2      ASP   9   1.036 -31.282  19.559
   87    HB3  ASP   9           HB3      ASP   9   0.588 -32.843  18.886
   88    H    GLY  10           H        GLY  10   4.165 -33.706  19.194
   89    HA2  GLY  10           HA2      GLY  10   3.895 -36.204  18.673
   90    HA3  GLY  10           HA3      GLY  10   4.111 -35.708  16.988
   91    H    ARG  11           H        ARG  11   6.035 -36.957  16.873
   92    HA   ARG  11           HA       ARG  11   8.477 -35.955  18.220
   93    HE   ARG  11           HE       ARG  11   9.945 -40.117  16.452
   94    HB2  ARG  11           HB2      ARG  11   8.282 -38.358  17.460
   95    HB3  ARG  11           HB3      ARG  11   8.124 -37.771  15.808
   96    HG2  ARG  11           HG2      ARG  11  10.452 -36.511  16.511
   97    HG3  ARG  11           HG3      ARG  11  10.547 -37.917  17.569
   98    HD2  ARG  11           HD2      ARG  11  10.169 -37.907  14.549
   99    HD3  ARG  11           HD3      ARG  11  11.671 -38.309  15.397
  100   HH11  ARG  11          HH11      ARG  11  10.768 -39.274  13.092
  101   HH12  ARG  11          HH12      ARG  11  10.348 -40.831  12.461
  102   HH21  ARG  11          HH21      ARG  11   9.389 -42.183  15.601
  103   HH22  ARG  11          HH22      ARG  11   9.571 -42.519  13.923
  104    H    VAL  12           H        VAL  12   7.956 -33.710  17.731
  105    HA   VAL  12           HA       VAL  12   8.381 -32.944  14.882
  106    HB   VAL  12           HB       VAL  12   6.678 -31.225  15.146
  107   HG11  VAL  12          HG11      VAL  12   5.546 -33.951  15.869
  108   HG12  VAL  12          HG12      VAL  12   4.715 -32.618  15.060
  109   HG13  VAL  12          HG13      VAL  12   6.060 -33.445  14.251
  110   HG21  VAL  12          HG23      VAL  12   5.123 -31.180  17.039
  111   HG22  VAL  12          HG21      VAL  12   6.059 -32.422  17.885
  112   HG23  VAL  12          HG22      VAL  12   6.765 -30.827  17.585
  113    H    GLN  13           H        GLN  13  10.248 -33.047  17.314
  114    HA   GLN  13           HA       GLN  13  11.347 -30.340  16.913
  115    HB2  GLN  13           HB2      GLN  13  11.344 -31.640  19.669
  116    HB3  GLN  13           HB3      GLN  13  11.868 -30.020  19.206
  117    HG2  GLN  13           HG2      GLN  13   9.363 -29.669  18.542
  118    HG3  GLN  13           HG3      GLN  13   9.048 -31.086  19.532
  119   HE21  GLN  13          HE22      GLN  13   8.815 -27.889  19.671
  120   HE22  GLN  13          HE21      GLN  13   9.191 -27.561  21.357
  121    H    GLY  14           H        GLY  14  13.597 -30.394  16.786
  122    HA2  GLY  14           HA2      GLY  14  15.702 -31.277  16.657
  123    HA3  GLY  14           HA3      GLY  14  15.218 -32.644  17.683
  124    H    VAL  15           H        VAL  15  13.598 -31.606  14.668
  125    HA   VAL  15           HA       VAL  15  14.561 -34.049  13.252
  126    HB   VAL  15           HB       VAL  15  12.218 -34.463  12.478
  127   HG11  VAL  15          HG11      VAL  15  11.500 -35.695  14.420
  128   HG12  VAL  15          HG12      VAL  15  13.251 -35.847  14.228
  129   HG13  VAL  15          HG13      VAL  15  12.585 -34.771  15.475
  130   HG21  VAL  15          HG23      VAL  15  10.330 -33.636  13.824
  131   HG22  VAL  15          HG21      VAL  15  11.422 -32.552  14.707
  132   HG23  VAL  15          HG22      VAL  15  11.157 -32.331  12.966
  133    H    GLY  16           H        GLY  16  14.045 -30.680  13.198
  134    HA2  GLY  16           HA2      GLY  16  14.924 -29.332  11.485
  135    HA3  GLY  16           HA3      GLY  16  14.703 -30.635  10.298
  136    H    PHE  17           H        PHE  17  12.250 -29.734  12.793
  137    HA   PHE  17           HA       PHE  17  10.232 -29.756  10.715
  138    HD1  PHE  17           HD2      PHE  17   7.835 -27.610  11.772
  139    HD2  PHE  17           HD1      PHE  17   8.290 -31.754  12.850
  140    HE1  PHE  17           HE2      PHE  17   5.500 -28.057  11.057
  141    HE2  PHE  17           HE1      PHE  17   5.962 -32.197  12.136
  142    HZ   PHE  17           HZ       PHE  17   4.566 -30.358  11.209
  143    HB2  PHE  17           HB2      PHE  17  10.036 -30.279  13.293
  144    HB3  PHE  17           HB3      PHE  17   9.719 -28.559  13.437
  145    H    ARG  18           H        ARG  18  11.748 -27.115  12.695
  146    HA   ARG  18           HA       ARG  18  10.412 -24.950  11.435
  147    HE   ARG  18           HE       ARG  18  12.802 -25.912  15.152
  148    HB2  ARG  18           HB2      ARG  18  13.139 -25.282  12.730
  149    HB3  ARG  18           HB3      ARG  18  12.689 -23.744  11.997
  150    HG2  ARG  18           HG2      ARG  18  10.844 -23.416  13.440
  151    HG3  ARG  18           HG3      ARG  18  10.863 -25.079  14.027
  152    HD2  ARG  18           HD2      ARG  18  13.207 -23.186  14.474
  153    HD3  ARG  18           HD3      ARG  18  11.807 -23.242  15.560
  154   HH11  ARG  18          HH21      ARG  18  13.568 -22.895  16.914
  155   HH12  ARG  18          HH22      ARG  18  14.313 -23.711  18.238
  156   HH21  ARG  18          HH11      ARG  18  13.813 -26.973  16.855
  157   HH22  ARG  18          HH12      ARG  18  14.488 -26.080  18.199
  158    H    TYR  19           H        TYR  19  13.387 -26.650  10.363
  159    HA   TYR  19           HA       TYR  19  13.871 -24.904   8.157
  160    HD1  TYR  19           HD2      TYR  19  15.751 -24.567   6.920
  161    HD2  TYR  19           HD1      TYR  19  16.024 -28.878   7.052
  162    HE1  TYR  19           HE2      TYR  19  17.142 -24.534   4.886
  163    HE2  TYR  19           HE1      TYR  19  17.437 -28.849   5.022
  164    HH   TYR  19           HH       TYR  19  18.351 -25.799   3.345
  165    HB2  TYR  19           HB2      TYR  19  15.572 -26.358   9.202
  166    HB3  TYR  19           HB3      TYR  19  14.712 -27.787   8.649
  167    H    PHE  20           H        PHE  20  12.125 -28.052   8.406
  168    HA   PHE  20           HA       PHE  20  11.455 -28.328   5.682
  169    HD1  PHE  20           HD2      PHE  20  10.352 -30.738   4.831
  170    HD2  PHE  20           HD1      PHE  20   7.722 -29.204   7.895
  171    HE1  PHE  20           HE2      PHE  20   8.389 -31.638   3.607
  172    HE2  PHE  20           HE1      PHE  20   5.767 -30.093   6.651
  173    HZ   PHE  20           HZ       PHE  20   6.098 -31.332   4.525
  174    HB2  PHE  20           HB2      PHE  20  11.151 -30.142   7.223
  175    HB3  PHE  20           HB3      PHE  20  10.076 -29.202   8.245
  176    H    VAL  21           H        VAL  21   9.569 -26.712   8.331
  177    HA   VAL  21           HA       VAL  21   7.462 -25.878   6.625
  178    HB   VAL  21           HB       VAL  21   8.491 -24.765   9.267
  179   HG11  VAL  21          HG11      VAL  21   7.075 -23.062   8.134
  180   HG12  VAL  21          HG12      VAL  21   5.811 -24.288   7.905
  181   HG13  VAL  21          HG13      VAL  21   6.256 -23.756   9.537
  182   HG21  VAL  21          HG23      VAL  21   7.647 -27.143   9.325
  183   HG22  VAL  21          HG21      VAL  21   6.609 -26.037  10.231
  184   HG23  VAL  21          HG22      VAL  21   6.132 -26.598   8.614
  185    H    GLN  22           H        GLN  22  10.558 -24.231   7.473
  186    HA   GLN  22           HA       GLN  22  10.082 -21.779   6.121
  187    HB2  GLN  22           HB2      GLN  22  11.868 -22.153   7.706
  188    HB3  GLN  22           HB3      GLN  22  12.642 -23.308   6.623
  189    HG2  GLN  22           HG2      GLN  22  13.833 -21.268   6.417
  190    HG3  GLN  22           HG3      GLN  22  12.908 -21.499   4.934
  191   HE21  GLN  22          HE22      GLN  22  11.176 -20.063   4.436
  192   HE22  GLN  22          HE21      GLN  22  11.038 -18.519   5.281
  193    H    MET  23           H        MET  23  11.372 -24.913   4.864
  194    HA   MET  23           HA       MET  23  11.749 -23.794   2.205
  195    HB2  MET  23           HB2      MET  23  11.635 -26.671   3.231
  196    HB3  MET  23           HB3      MET  23  11.999 -26.231   1.558
  197    HG2  MET  23           HG2      MET  23  13.936 -24.895   2.318
  198    HG3  MET  23           HG3      MET  23  13.641 -25.399   3.980
  199    HE1  MET  23           HE3      MET  23  12.892 -28.557   3.696
  200    HE2  MET  23           HE1      MET  23  14.527 -29.186   3.979
  201    HE3  MET  23           HE2      MET  23  13.947 -27.785   4.905
  202    H    GLU  24           H        GLU  24   9.065 -25.690   3.760
  203    HA   GLU  24           HA       GLU  24   7.609 -26.036   1.328
  204    HB2  GLU  24           HB2      GLU  24   6.769 -25.945   4.261
  205    HB3  GLU  24           HB3      GLU  24   5.642 -26.263   2.952
  206    HG2  GLU  24           HG2      GLU  24   8.048 -27.976   3.677
  207    HG3  GLU  24           HG3      GLU  24   6.350 -28.349   3.958
  208    H    ALA  25           H        ALA  25   7.693 -23.386   3.725
  209    HA   ALA  25           HA       ALA  25   5.650 -21.804   2.476
  210    HB1  ALA  25           HB3      ALA  25   6.699 -19.961   3.777
  211    HB2  ALA  25           HB1      ALA  25   6.384 -21.389   4.781
  212    HB3  ALA  25           HB2      ALA  25   8.035 -21.035   4.223
  213    H    ASP  26           H        ASP  26   9.245 -21.888   2.139
  214    HA   ASP  26           HA       ASP  26   9.533 -19.788   0.301
  215    HB2  ASP  26           HB2      ASP  26  11.417 -21.009   1.460
  216    HB3  ASP  26           HB3      ASP  26  11.132 -22.379   0.409
  217    H    LYS  27           H        LYS  27   8.953 -23.251  -0.296
  218    HA   LYS  27           HA       LYS  27   9.008 -23.307  -3.084
  219    HB2  LYS  27           HB2      LYS  27   9.120 -25.261  -1.765
  220    HB3  LYS  27           HB3      LYS  27   7.597 -24.956  -0.967
  221    HG2  LYS  27           HG2      LYS  27   7.639 -25.446  -3.953
  222    HG3  LYS  27           HG3      LYS  27   7.869 -26.795  -2.859
  223    HD2  LYS  27           HD2      LYS  27   5.459 -24.945  -2.795
  224    HD3  LYS  27           HD3      LYS  27   5.492 -26.507  -3.593
  225    HE2  LYS  27           HE2      LYS  27   5.894 -26.044  -0.595
  226    HE3  LYS  27           HE3      LYS  27   4.381 -26.531  -1.339
  227    HZ1  LYS  27           HZ3      LYS  27   6.859 -28.144  -1.517
  228    HZ2  LYS  27           HZ1      LYS  27   5.692 -28.369  -0.404
  229    HZ3  LYS  27           HZ2      LYS  27   5.356 -28.596  -2.000
  230    H    ARG  28           H        ARG  28   6.455 -21.999  -1.046
  231    HA   ARG  28           HA       ARG  28   4.845 -21.464  -3.510
  232    HE   ARG  28           HE       ARG  28   1.313 -25.651  -2.782
  233    HB2  ARG  28           HB2      ARG  28   4.083 -22.618  -0.878
  234    HB3  ARG  28           HB3      ARG  28   3.039 -21.303  -1.395
  235    HG2  ARG  28           HG2      ARG  28   2.574 -22.383  -3.523
  236    HG3  ARG  28           HG3      ARG  28   3.724 -23.677  -3.186
  237    HD2  ARG  28           HD2      ARG  28   2.405 -24.405  -1.244
  238    HD3  ARG  28           HD3      ARG  28   1.262 -23.097  -1.490
  239   HH11  ARG  28          HH11      ARG  28   0.652 -22.324  -3.834
  240   HH12  ARG  28          HH12      ARG  28  -0.798 -22.744  -4.671
  241   HH21  ARG  28          HH21      ARG  28  -0.779 -26.118  -3.673
  242   HH22  ARG  28          HH22      ARG  28  -1.612 -24.910  -4.574
  243    H    LYS  29           H        LYS  29   7.026 -19.929  -1.840
  244    HA   LYS  29           HA       LYS  29   7.426 -17.868  -1.036
  245    HB2  LYS  29           HB2      LYS  29   5.741 -17.121  -3.455
  246    HB3  LYS  29           HB3      LYS  29   6.851 -16.043  -2.598
  247    HG2  LYS  29           HG2      LYS  29   8.748 -17.558  -3.128
  248    HG3  LYS  29           HG3      LYS  29   7.647 -18.602  -4.048
  249    HD2  LYS  29           HD2      LYS  29   7.133 -16.723  -5.587
  250    HD3  LYS  29           HD3      LYS  29   8.174 -15.659  -4.638
  251    HE2  LYS  29           HE2      LYS  29   9.412 -16.338  -6.570
  252    HE3  LYS  29           HE3      LYS  29  10.136 -17.101  -5.154
  253    HZ1  LYS  29           HZ3      LYS  29   9.919 -18.634  -7.012
  254    HZ2  LYS  29           HZ1      LYS  29   9.006 -19.161  -5.773
  255    HZ3  LYS  29           HZ2      LYS  29   8.305 -18.440  -7.068
  256    H    LEU  30           H        LEU  30   5.523 -18.975   0.557
  257    HA   LEU  30           HA       LEU  30   3.284 -17.198   1.073
  258    HG   LEU  30           HG       LEU  30   3.573 -20.375   1.071
  259    HB2  LEU  30           HB2      LEU  30   4.791 -19.164   2.851
  260    HB3  LEU  30           HB3      LEU  30   3.320 -18.331   3.308
  261   HD11  LEU  30          HD11      LEU  30   2.237 -21.795   2.517
  262   HD12  LEU  30          HD12      LEU  30   3.670 -21.269   3.411
  263   HD13  LEU  30          HD13      LEU  30   2.103 -20.515   3.739
  264   HD21  LEU  30          HD23      LEU  30   1.054 -20.261   1.046
  265   HD22  LEU  30          HD21      LEU  30   1.145 -18.826   2.080
  266   HD23  LEU  30          HD22      LEU  30   1.827 -18.793   0.434
  267    H    ALA  31           H        ALA  31   3.164 -15.953   3.126
  268    HA   ALA  31           HA       ALA  31   5.774 -14.891   4.106
  269    HB1  ALA  31           HB3      ALA  31   4.598 -13.029   3.053
  270    HB2  ALA  31           HB1      ALA  31   3.093 -13.447   3.904
  271    HB3  ALA  31           HB2      ALA  31   4.491 -12.863   4.816
  272    H    GLY  32           H        GLY  32   5.740 -14.595   6.516
  273    HA2  GLY  32           HA2      GLY  32   3.907 -15.029   8.405
  274    HA3  GLY  32           HA3      GLY  32   4.038 -16.663   7.749
  275    H    TRP  33           H        TRP  33   4.721 -17.289   9.912
  276    HA   TRP  33           HA       TRP  33   7.550 -17.448   9.892
  277    HD1  TRP  33           HD1      TRP  33   6.057 -17.318  14.128
  278    HE1  TRP  33           HE1      TRP  33   4.132 -15.997  15.151
  279    HE3  TRP  33           HE3      TRP  33   5.606 -13.677  10.554
  280    HZ2  TRP  33           HZ2      TRP  33   2.601 -13.604  14.525
  281    HZ3  TRP  33           HZ3      TRP  33   3.883 -11.907  10.781
  282    HH2  TRP  33           HH2      TRP  33   2.382 -11.857  12.761
  283    HB2  TRP  33           HB2      TRP  33   7.890 -16.695  12.269
  284    HB3  TRP  33           HB3      TRP  33   7.500 -15.411  11.154
  285    H    VAL  34           H        VAL  34   8.388 -18.903  11.661
  286    HA   VAL  34           HA       VAL  34   6.373 -20.780  12.759
  287    HB   VAL  34           HB       VAL  34   7.135 -21.763  10.657
  288   HG11  VAL  34          HG11      VAL  34   9.976 -21.746  11.743
  289   HG12  VAL  34          HG12      VAL  34   9.422 -22.462  10.219
  290   HG13  VAL  34          HG13      VAL  34   9.379 -20.707  10.436
  291   HG21  VAL  34          HG23      VAL  34   7.818 -23.944  11.455
  292   HG22  VAL  34          HG21      VAL  34   8.406 -23.266  12.979
  293   HG23  VAL  34          HG22      VAL  34   6.676 -23.242  12.610
  294    H    LYS  35           H        LYS  35   6.968 -21.671  14.752
  295    HA   LYS  35           HA       LYS  35   9.725 -21.379  15.654
  296    HB2  LYS  35           HB2      LYS  35   9.218 -20.386  17.796
  297    HB3  LYS  35           HB3      LYS  35   8.728 -19.298  16.510
  298    HG2  LYS  35           HG2      LYS  35   6.379 -19.904  16.788
  299    HG3  LYS  35           HG3      LYS  35   6.794 -21.129  17.996
  300    HD2  LYS  35           HD2      LYS  35   7.367 -18.164  18.364
  301    HD3  LYS  35           HD3      LYS  35   5.884 -18.968  18.908
  302    HE2  LYS  35           HE2      LYS  35   7.208 -20.528  20.301
  303    HE3  LYS  35           HE3      LYS  35   8.704 -19.726  19.798
  304    HZ1  LYS  35           HZ3      LYS  35   6.518 -18.362  21.259
  305    HZ2  LYS  35           HZ1      LYS  35   7.873 -18.951  21.955
  306    HZ3  LYS  35           HZ2      LYS  35   7.994 -17.728  20.886
  307    H    ASN  36           H        ASN  36  10.073 -22.752  17.629
  308    HA   ASN  36           HA       ASN  36   8.133 -25.004  17.714
  309    HB2  ASN  36           HB2      ASN  36  10.357 -25.282  16.302
  310    HB3  ASN  36           HB3      ASN  36  11.093 -25.551  17.889
  311   HD21  ASN  36          HD22      ASN  36  11.066 -27.647  15.887
  312   HD22  ASN  36          HD21      ASN  36   9.851 -28.814  16.358
  313    H    ARG  37           H        ARG  37   7.394 -25.224  19.725
  314    HA   ARG  37           HA       ARG  37   8.252 -23.105  21.516
  315    HE   ARG  37           HE       ARG  37   3.623 -24.766  22.290
  316    HB2  ARG  37           HB2      ARG  37   5.980 -25.129  21.627
  317    HB3  ARG  37           HB3      ARG  37   6.104 -23.720  22.666
  318    HG2  ARG  37           HG2      ARG  37   5.576 -22.212  20.931
  319    HG3  ARG  37           HG3      ARG  37   5.992 -23.354  19.647
  320    HD2  ARG  37           HD2      ARG  37   3.532 -23.020  19.892
  321    HD3  ARG  37           HD3      ARG  37   4.068 -24.684  20.008
  322   HH11  ARG  37          HH21      ARG  37   2.851 -21.467  21.073
  323   HH12  ARG  37          HH22      ARG  37   1.773 -21.133  22.383
  324   HH21  ARG  37          HH11      ARG  37   2.166 -24.305  23.937
  325   HH22  ARG  37          HH12      ARG  37   1.402 -22.746  24.070
  326    H    ASP  38           H        ASP  38   8.581 -23.354  23.814
  327    HA   ASP  38           HA       ASP  38  10.176 -25.588  24.601
  328    HB2  ASP  38           HB2      ASP  38  10.405 -23.364  25.613
  329    HB3  ASP  38           HB3      ASP  38   8.758 -23.454  26.245
  330    H    ASP  39           H        ASP  39   6.706 -25.003  24.766
  331    HA   ASP  39           HA       ASP  39   6.136 -27.093  26.631
  332    HB2  ASP  39           HB2      ASP  39   3.942 -26.586  26.418
  333    HB3  ASP  39           HB3      ASP  39   4.667 -25.049  25.977
  334    H    GLY  40           H        GLY  40   7.284 -27.312  23.483
  335    HA2  GLY  40           HA2      GLY  40   7.933 -29.433  22.691
  336    HA3  GLY  40           HA3      GLY  40   6.482 -30.167  23.361
  337    H    ARG  41           H        ARG  41   5.060 -27.553  22.024
  338    HA   ARG  41           HA       ARG  41   4.387 -29.113  19.605
  339    HE   ARG  41           HE       ARG  41   1.650 -27.006  22.951
  340    HB2  ARG  41           HB2      ARG  41   3.139 -26.684  20.967
  341    HB3  ARG  41           HB3      ARG  41   2.582 -27.324  19.418
  342    HG2  ARG  41           HG2      ARG  41   2.172 -29.522  20.420
  343    HG3  ARG  41           HG3      ARG  41   2.718 -28.958  22.001
  344    HD2  ARG  41           HD2      ARG  41   0.388 -27.692  20.507
  345    HD3  ARG  41           HD3      ARG  41   0.207 -29.071  21.604
  346   HH11  ARG  41          HH11      ARG  41  -1.669 -27.695  21.833
  347   HH12  ARG  41          HH12      ARG  41  -2.411 -26.857  23.144
  348   HH21  ARG  41          HH21      ARG  41   0.720 -26.003  24.632
  349   HH22  ARG  41          HH22      ARG  41  -1.015 -25.830  24.812
  350    H    VAL  42           H        VAL  42   4.269 -28.092  17.547
  351    HA   VAL  42           HA       VAL  42   6.220 -25.873  17.104
  352    HB   VAL  42           HB       VAL  42   4.562 -27.199  14.938
  353   HG11  VAL  42          HG11      VAL  42   6.428 -26.524  13.493
  354   HG12  VAL  42          HG12      VAL  42   5.818 -25.131  14.377
  355   HG13  VAL  42          HG13      VAL  42   7.326 -25.909  14.897
  356   HG21  VAL  42          HG23      VAL  42   6.411 -28.753  14.432
  357   HG22  VAL  42          HG21      VAL  42   7.229 -28.275  15.931
  358   HG23  VAL  42          HG22      VAL  42   5.661 -29.109  15.977
  359    H    GLU  43           H        GLU  43   5.356 -23.841  16.291
  360    HA   GLU  43           HA       GLU  43   2.536 -23.914  15.581
  361    HB2  GLU  43           HB2      GLU  43   1.876 -21.874  16.565
  362    HB3  GLU  43           HB3      GLU  43   2.467 -22.929  17.862
  363    HG2  GLU  43           HG2      GLU  43   4.605 -21.631  17.777
  364    HG3  GLU  43           HG3      GLU  43   3.850 -20.577  16.545
  365    H    ILE  44           H        ILE  44   1.967 -22.393  14.032
  366    HA   ILE  44           HA       ILE  44   4.157 -21.111  12.519
  367    HB   ILE  44           HB       ILE  44   2.016 -22.790  11.203
  368   HG12  ILE  44          HG12      ILE  44   4.634 -24.002  12.175
  369   HG13  ILE  44          HG13      ILE  44   3.010 -24.440  12.706
  370   HG21  ILE  44          HG21      ILE  44   4.850 -22.070  10.413
  371   HG22  ILE  44          HG22      ILE  44   3.667 -22.881   9.366
  372   HG23  ILE  44          HG23      ILE  44   3.393 -21.217   9.862
  373   HD11  ILE  44          HD13      ILE  44   4.207 -24.970   9.977
  374   HD12  ILE  44          HD11      ILE  44   3.718 -26.126  11.219
  375   HD13  ILE  44          HD12      ILE  44   2.484 -25.171  10.366
  376    H    LEU  45           H        LEU  45   3.331 -19.320  11.323
  377    HA   LEU  45           HA       LEU  45   0.413 -18.913  11.208
  378    HG   LEU  45           HG       LEU  45  -0.594 -16.743  11.554
  379    HB2  LEU  45           HB2      LEU  45   1.231 -17.670  13.187
  380    HB3  LEU  45           HB3      LEU  45   2.385 -16.792  12.187
  381   HD11  LEU  45          HD11      LEU  45  -0.424 -16.160  13.916
  382   HD12  LEU  45          HD12      LEU  45   0.829 -14.956  13.555
  383   HD13  LEU  45          HD13      LEU  45  -0.830 -14.732  12.956
  384   HD21  LEU  45          HD23      LEU  45   1.729 -14.812  11.053
  385   HD22  LEU  45          HD21      LEU  45   0.777 -15.677   9.828
  386   HD23  LEU  45          HD22      LEU  45   0.038 -14.390  10.769
  387    H    ALA  46           H        ALA  46  -0.080 -18.326   9.090
  388    HA   ALA  46           HA       ALA  46   2.169 -17.608   7.290
  389    HB1  ALA  46           HB3      ALA  46   2.085 -20.072   7.358
  390    HB2  ALA  46           HB1      ALA  46   0.354 -20.034   6.943
  391    HB3  ALA  46           HB2      ALA  46   1.566 -19.453   5.779
  392    H    GLU  47           H        GLU  47   1.480 -16.774   5.279
  393    HA   GLU  47           HA       GLU  47  -1.348 -15.910   5.076
  394    HB2  GLU  47           HB2      GLU  47   1.177 -14.205   4.902
  395    HB3  GLU  47           HB3      GLU  47  -0.442 -13.656   4.436
  396    HG2  GLU  47           HG2      GLU  47  -1.252 -14.054   6.713
  397    HG3  GLU  47           HG3      GLU  47   0.362 -14.563   7.239
  398    H    GLY  48           H        GLY  48  -2.114 -16.065   3.010
  399    HA2  GLY  48           HA2      GLY  48  -0.667 -15.933   0.578
  400    HA3  GLY  48           HA3      GLY  48  -0.624 -17.611   1.134
  401    HA   PRO  49           HA       PRO  49  -4.802 -16.931  -0.903
  402    HB2  PRO  49           HB2      PRO  49  -4.511 -18.575  -3.080
  403    HB3  PRO  49           HB3      PRO  49  -4.088 -16.837  -3.094
  404    HG2  PRO  49           HG2      PRO  49  -2.254 -19.203  -2.725
  405    HG3  PRO  49           HG3      PRO  49  -2.007 -17.766  -3.760
  406    HD2  PRO  49           HD2      PRO  49  -0.877 -18.005  -1.266
  407    HD3  PRO  49           HD3      PRO  49  -1.397 -16.428  -1.927
  408    H    GLU  50           H        GLU  50  -6.444 -18.596  -0.864
  409    HA   GLU  50           HA       GLU  50  -6.122 -20.270   1.341
  410    HB2  GLU  50           HB2      GLU  50  -8.240 -19.254   0.396
  411    HB3  GLU  50           HB3      GLU  50  -8.229 -20.513  -0.845
  412    HG2  GLU  50           HG2      GLU  50  -8.300 -22.233   1.011
  413    HG3  GLU  50           HG3      GLU  50  -8.421 -20.917   2.175
  414    H    ASN  51           H        ASN  51  -5.813 -21.127  -2.134
  415    HA   ASN  51           HA       ASN  51  -5.691 -23.981  -1.677
  416    HB2  ASN  51           HB2      ASN  51  -6.190 -23.107  -3.908
  417    HB3  ASN  51           HB3      ASN  51  -4.658 -22.227  -3.955
  418   HD21  ASN  51          HD21      ASN  51  -6.001 -25.591  -3.767
  419   HD22  ASN  51          HD22      ASN  51  -4.627 -26.329  -4.540
  420    H    ALA  52           H        ALA  52  -3.260 -21.401  -1.614
  421    HA   ALA  52           HA       ALA  52  -0.997 -23.214  -1.529
  422    HB1  ALA  52           HB3      ALA  52  -0.742 -20.859  -2.287
  423    HB2  ALA  52           HB1      ALA  52  -1.205 -20.289  -0.662
  424    HB3  ALA  52           HB2      ALA  52   0.289 -21.203  -0.894
  425    H    LEU  53           H        LEU  53  -2.914 -21.390   0.911
  426    HA   LEU  53           HA       LEU  53  -1.417 -22.342   3.144
  427    HG   LEU  53           HG       LEU  53  -2.487 -19.608   2.354
  428    HB2  LEU  53           HB2      LEU  53  -4.271 -21.308   2.901
  429    HB3  LEU  53           HB3      LEU  53  -3.454 -21.622   4.425
  430   HD11  LEU  53          HD11      LEU  53  -3.866 -19.136   5.023
  431   HD12  LEU  53          HD12      LEU  53  -3.288 -17.904   3.885
  432   HD13  LEU  53          HD13      LEU  53  -4.624 -18.964   3.421
  433   HD21  LEU  53          HD23      LEU  53  -0.593 -20.403   3.679
  434   HD22  LEU  53          HD21      LEU  53  -1.034 -18.784   4.210
  435   HD23  LEU  53          HD22      LEU  53  -1.514 -20.187   5.186
  436    H    GLN  54           H        GLN  54  -4.344 -23.688   1.510
  437    HA   GLN  54           HA       GLN  54  -4.699 -25.904   3.260
  438    HB2  GLN  54           HB2      GLN  54  -5.283 -25.358   0.335
  439    HB3  GLN  54           HB3      GLN  54  -5.567 -26.955   0.996
  440    HG2  GLN  54           HG2      GLN  54  -7.112 -26.106   2.666
  441    HG3  GLN  54           HG3      GLN  54  -6.765 -24.435   2.208
  442   HE21  GLN  54          HE22      GLN  54  -7.243 -23.810  -0.048
  443   HE22  GLN  54          HE21      GLN  54  -8.629 -24.529  -0.870
  444    H    SER  55           H        SER  55  -2.674 -25.638   0.253
  445    HA   SER  55           HA       SER  55  -1.684 -28.298   0.390
  446    HG   SER  55           HG       SER  55  -2.322 -26.029  -1.672
  447    HB2  SER  55           HB2      SER  55  -0.294 -25.819  -0.715
  448    HB3  SER  55           HB3      SER  55   0.062 -27.504  -1.129
  449    H    PHE  56           H        PHE  56  -0.501 -25.274   1.880
  450    HA   PHE  56           HA       PHE  56   1.917 -26.279   2.936
  451    HD1  PHE  56           HD2      PHE  56   3.785 -24.578   3.434
  452    HD2  PHE  56           HD1      PHE  56   0.559 -23.272   5.989
  453    HE1  PHE  56           HE2      PHE  56   5.429 -23.677   5.065
  454    HE2  PHE  56           HE1      PHE  56   2.203 -22.370   7.599
  455    HZ   PHE  56           HZ       PHE  56   4.637 -22.509   7.108
  456    HB2  PHE  56           HB2      PHE  56   1.312 -23.919   2.629
  457    HB3  PHE  56           HB3      PHE  56   0.069 -24.045   3.855
  458    H    VAL  57           H        VAL  57  -1.427 -26.083   4.404
  459    HA   VAL  57           HA       VAL  57  -0.755 -27.342   6.855
  460    HB   VAL  57           HB       VAL  57  -3.336 -27.224   5.255
  461   HG11  VAL  57          HG11      VAL  57  -3.491 -29.286   6.590
  462   HG12  VAL  57          HG12      VAL  57  -2.964 -28.410   8.042
  463   HG13  VAL  57          HG13      VAL  57  -4.525 -28.035   7.271
  464   HG21  VAL  57          HG23      VAL  57  -2.570 -25.951   7.911
  465   HG22  VAL  57          HG21      VAL  57  -2.475 -25.117   6.347
  466   HG23  VAL  57          HG22      VAL  57  -4.041 -25.660   6.968
  467    H    GLU  58           H        GLU  58  -1.791 -28.777   3.701
  468    HA   GLU  58           HA       GLU  58  -1.920 -31.444   4.542
  469    HB2  GLU  58           HB2      GLU  58  -1.209 -30.251   1.843
  470    HB3  GLU  58           HB3      GLU  58  -1.427 -31.974   2.090
  471    HG2  GLU  58           HG2      GLU  58  -3.617 -30.000   2.838
  472    HG3  GLU  58           HG3      GLU  58  -3.405 -30.571   1.188
  473    H    ALA  59           H        ALA  59   0.885 -29.596   3.384
  474    HA   ALA  59           HA       ALA  59   2.767 -31.756   3.539
  475    HB1  ALA  59           HB3      ALA  59   3.238 -28.745   3.699
  476    HB2  ALA  59           HB1      ALA  59   4.462 -29.985   3.379
  477    HB3  ALA  59           HB2      ALA  59   3.160 -29.711   2.208
  478    H    VAL  60           H        VAL  60   1.867 -29.146   5.861
  479    HA   VAL  60           HA       VAL  60   3.768 -29.852   7.856
  480    HB   VAL  60           HB       VAL  60   1.155 -28.305   7.933
  481   HG11  VAL  60          HG11      VAL  60   3.232 -28.547  10.148
  482   HG12  VAL  60          HG12      VAL  60   1.865 -27.414  10.120
  483   HG13  VAL  60          HG13      VAL  60   1.567 -29.143  10.227
  484   HG21  VAL  60          HG23      VAL  60   2.607 -26.353   8.014
  485   HG22  VAL  60          HG21      VAL  60   4.052 -27.372   8.186
  486   HG23  VAL  60          HG22      VAL  60   3.170 -27.343   6.666
  487    H    LYS  61           H        LYS  61   0.575 -31.309   7.102
  488    HA   LYS  61           HA       LYS  61   0.286 -32.744   9.521
  489    HB2  LYS  61           HB2      LYS  61  -0.283 -34.006   6.826
  490    HB3  LYS  61           HB3      LYS  61  -1.018 -34.367   8.391
  491    HG2  LYS  61           HG2      LYS  61  -2.012 -32.005   8.327
  492    HG3  LYS  61           HG3      LYS  61  -1.471 -31.949   6.647
  493    HD2  LYS  61           HD2      LYS  61  -3.504 -33.849   7.846
  494    HD3  LYS  61           HD3      LYS  61  -3.777 -32.546   6.680
  495    HE2  LYS  61           HE2      LYS  61  -2.135 -33.850   5.132
  496    HE3  LYS  61           HE3      LYS  61  -2.361 -35.207   6.247
  497    HZ1  LYS  61           HZ3      LYS  61  -4.432 -33.823   4.658
  498    HZ2  LYS  61           HZ1      LYS  61  -3.916 -35.363   4.445
  499    HZ3  LYS  61           HZ2      LYS  61  -4.787 -34.990   5.778
  500    H    ASN  62           H        ASN  62   2.540 -33.315   6.824
  501    HA   ASN  62           HA       ASN  62   3.323 -35.930   7.833
  502    HB2  ASN  62           HB2      ASN  62   3.410 -35.355   5.394
  503    HB3  ASN  62           HB3      ASN  62   4.698 -34.197   5.738
  504   HD21  ASN  62          HD22      ASN  62   6.846 -35.022   6.262
  505   HD22  ASN  62          HD21      ASN  62   7.223 -36.720   6.086
  506    H    GLY  63           H        GLY  63   4.602 -32.621   7.796
  507    HA2  GLY  63           HA2      GLY  63   6.269 -31.609   9.099
  508    HA3  GLY  63           HA3      GLY  63   6.495 -33.119   9.995
  509    H    SER  64           H        SER  64   8.842 -32.605   9.629
  510    HA   SER  64           HA       SER  64  10.007 -32.610   7.019
  511    HG   SER  64           HG       SER  64  12.219 -33.372  10.328
  512    HB2  SER  64           HB2      SER  64  12.103 -32.789   8.195
  513    HB3  SER  64           HB3      SER  64  11.059 -31.738   9.145
  514    HA   PRO  65           HA       PRO  65  10.459 -36.989   6.009
  515    HB2  PRO  65           HB2      PRO  65  13.441 -36.516   6.121
  516    HB3  PRO  65           HB3      PRO  65  12.487 -37.391   4.883
  517    HG2  PRO  65           HG2      PRO  65  13.323 -34.864   4.405
  518    HG3  PRO  65           HG3      PRO  65  11.643 -35.337   3.983
  519    HD2  PRO  65           HD2      PRO  65  12.621 -33.841   6.420
  520    HD3  PRO  65           HD3      PRO  65  11.207 -33.493   5.379
  521    H    PHE  66           H        PHE  66  11.874 -35.650   8.911
  522    HA   PHE  66           HA       PHE  66  12.413 -38.364  10.024
  523    HD1  PHE  66           HD2      PHE  66  15.114 -38.873   9.762
  524    HD2  PHE  66           HD1      PHE  66  14.559 -34.647   9.079
  525    HE1  PHE  66           HE2      PHE  66  16.824 -38.935   7.963
  526    HE2  PHE  66           HE1      PHE  66  16.267 -34.716   7.281
  527    HZ   PHE  66           HZ       PHE  66  17.402 -36.859   6.718
  528    HB2  PHE  66           HB2      PHE  66  13.507 -35.690  10.947
  529    HB3  PHE  66           HB3      PHE  66  13.998 -37.287  11.490
  530    H    SER  67           H        SER  67  10.095 -35.877  10.096
  531    HA   SER  67           HA       SER  67   9.528 -35.831  12.937
  532    HG   SER  67           HG       SER  67   9.932 -33.843  10.957
  533    HB2  SER  67           HB2      SER  67   7.905 -35.036  10.481
  534    HB3  SER  67           HB3      SER  67   7.469 -34.668  12.157
  535    H    LYS  68           H        LYS  68   7.531 -36.591  13.815
  536    HA   LYS  68           HA       LYS  68   5.810 -38.304  12.207
  537    HB2  LYS  68           HB2      LYS  68   7.208 -40.026  13.225
  538    HB3  LYS  68           HB3      LYS  68   6.975 -39.335  14.826
  539    HG2  LYS  68           HG2      LYS  68   5.611 -41.328  14.518
  540    HG3  LYS  68           HG3      LYS  68   4.601 -39.914  14.807
  541    HD2  LYS  68           HD2      LYS  68   4.071 -39.773  12.387
  542    HD3  LYS  68           HD3      LYS  68   5.144 -41.158  12.072
  543    HE2  LYS  68           HE2      LYS  68   3.728 -42.565  13.558
  544    HE3  LYS  68           HE3      LYS  68   2.675 -41.179  13.871
  545    HZ1  LYS  68           HZ3      LYS  68   3.081 -42.440  11.219
  546    HZ2  LYS  68           HZ1      LYS  68   1.768 -42.622  12.162
  547    HZ3  LYS  68           HZ2      LYS  68   2.099 -41.166  11.514
  548    H    VAL  69           H        VAL  69   4.469 -36.525  12.252
  549    HA   VAL  69           HA       VAL  69   3.595 -35.121  14.605
  550    HB   VAL  69           HB       VAL  69   2.323 -35.621  11.878
  551   HG11  VAL  69          HG11      VAL  69   0.545 -34.921  13.377
  552   HG12  VAL  69          HG12      VAL  69   1.545 -33.603  14.018
  553   HG13  VAL  69          HG13      VAL  69   0.970 -33.563  12.337
  554   HG21  VAL  69          HG23      VAL  69   3.117 -33.331  11.335
  555   HG22  VAL  69          HG21      VAL  69   3.907 -33.231  12.915
  556   HG23  VAL  69          HG22      VAL  69   4.469 -34.398  11.699
  557    H    THR  70           H        THR  70   1.899 -35.641  16.015
  558    HA   THR  70           HA       THR  70   0.348 -38.130  15.486
  559    HB   THR  70           HB       THR  70   0.305 -38.442  17.933
  560    HG1  THR  70           HG1      THR  70   1.450 -37.142  19.247
  561   HG21  THR  70          HG23      THR  70   2.605 -39.216  18.221
  562   HG22  THR  70          HG21      THR  70   2.090 -39.549  16.557
  563   HG23  THR  70          HG22      THR  70   3.166 -38.175  16.894
  564    H    ASP  71           H        ASP  71   0.246 -34.685  16.190
  565    HA   ASP  71           HA       ASP  71  -2.646 -34.742  15.794
  566    HB2  ASP  71           HB2      ASP  71  -2.497 -34.969  18.253
  567    HB3  ASP  71           HB3      ASP  71  -1.415 -33.577  18.327
  568    H    ILE  72           H        ILE  72  -3.425 -32.645  15.154
  569    HA   ILE  72           HA       ILE  72  -1.577 -30.443  14.828
  570    HB   ILE  72           HB       ILE  72  -0.928 -31.799  12.926
  571   HG12  ILE  72          HG12      ILE  72  -2.645 -29.466  11.983
  572   HG13  ILE  72          HG13      ILE  72  -1.034 -29.338  12.695
  573   HG21  ILE  72          HG21      ILE  72  -2.990 -33.184  12.664
  574   HG22  ILE  72          HG22      ILE  72  -3.811 -31.783  11.943
  575   HG23  ILE  72          HG23      ILE  72  -2.411 -32.527  11.144
  576   HD11  ILE  72          HD13      ILE  72  -0.828 -29.168  10.307
  577   HD12  ILE  72          HD11      ILE  72  -0.143 -30.737  10.798
  578   HD13  ILE  72          HD12      ILE  72  -1.755 -30.646  10.051
  579    H    SER  73           H        SER  73  -2.727 -28.504  14.498
  580    HA   SER  73           HA       SER  73  -5.681 -28.597  14.232
  581    HG   SER  73           HG       SER  73  -5.332 -28.457  17.820
  582    HB2  SER  73           HB2      SER  73  -4.174 -27.064  16.401
  583    HB3  SER  73           HB3      SER  73  -5.921 -27.044  16.118
  584    H    VAL  74           H        VAL  74  -6.526 -26.560  13.448
  585    HA   VAL  74           HA       VAL  74  -4.547 -24.638  12.372
  586    HB   VAL  74           HB       VAL  74  -6.785 -25.934  10.754
  587   HG11  VAL  74          HG11      VAL  74  -4.579 -23.984   9.947
  588   HG12  VAL  74          HG12      VAL  74  -5.667 -24.816   8.814
  589   HG13  VAL  74          HG13      VAL  74  -6.323 -23.665   9.970
  590   HG21  VAL  74          HG23      VAL  74  -4.995 -26.995   9.406
  591   HG22  VAL  74          HG21      VAL  74  -3.786 -26.424  10.574
  592   HG23  VAL  74          HG22      VAL  74  -5.025 -27.605  11.055
  593    H    THR  75           H        THR  75  -5.358 -22.570  12.170
  594    HA   THR  75           HA       THR  75  -8.190 -21.980  12.753
  595    HB   THR  75           HB       THR  75  -5.919 -20.335  13.929
  596    HG1  THR  75           HG1      THR  75  -5.815 -22.387  14.869
  597   HG21  THR  75          HG23      THR  75  -8.060 -19.167  13.841
  598   HG22  THR  75          HG21      THR  75  -8.884 -20.539  14.616
  599   HG23  THR  75          HG22      THR  75  -7.691 -19.576  15.517
  600    H    GLU  76           H        GLU  76  -8.673 -19.736  11.805
  601    HA   GLU  76           HA       GLU  76  -6.805 -18.856   9.717
  602    HB2  GLU  76           HB2      GLU  76  -8.423 -19.166   7.927
  603    HB3  GLU  76           HB3      GLU  76  -8.008 -20.712   8.664
  604    HG2  GLU  76           HG2      GLU  76 -10.143 -20.627   9.986
  605    HG3  GLU  76           HG3      GLU  76 -10.554 -19.114   9.175
  606    H    SER  77           H        SER  77  -7.722 -16.938   8.551
  607    HA   SER  77           HA       SER  77  -9.521 -15.269  10.224
  608    HG   SER  77           HG       SER  77  -7.211 -12.754  10.802
  609    HB2  SER  77           HB2      SER  77  -7.087 -14.960  10.850
  610    HB3  SER  77           HB3      SER  77  -6.779 -14.438   9.182
  611    H    ARG  78           H        ARG  78  -9.815 -13.137   9.017
  612    HA   ARG  78           HA       ARG  78  -9.903 -13.437   6.059
  613    HE   ARG  78           HE       ARG  78 -13.842 -16.262   5.278
  614    HB2  ARG  78           HB2      ARG  78 -12.107 -12.253   7.807
  615    HB3  ARG  78           HB3      ARG  78 -12.082 -12.217   6.046
  616    HG2  ARG  78           HG2      ARG  78 -12.223 -14.752   7.737
  617    HG3  ARG  78           HG3      ARG  78 -13.584 -13.964   6.940
  618    HD2  ARG  78           HD2      ARG  78 -12.602 -14.358   4.734
  619    HD3  ARG  78           HD3      ARG  78 -11.158 -15.058   5.456
  620   HH11  ARG  78          HH21      ARG  78 -10.453 -16.672   6.475
  621   HH12  ARG  78          HH22      ARG  78 -10.678 -18.414   6.592
  622   HH21  ARG  78          HH11      ARG  78 -13.937 -18.596   5.539
  623   HH22  ARG  78          HH12      ARG  78 -12.504 -19.418   6.129
  624    H    SER  79           H        SER  79  -8.090 -12.197   8.166
  625    HA   SER  79           HA       SER  79  -7.813  -9.540   6.896
  626    HG   SER  79           HG       SER  79  -9.415  -8.740  10.024
  627    HB2  SER  79           HB2      SER  79  -7.586 -10.122   9.883
  628    HB3  SER  79           HB3      SER  79  -7.327  -8.559   9.089
  629    H    LEU  80           H        LEU  80  -5.528  -8.718   7.402
  630    HA   LEU  80           HA       LEU  80  -3.527 -10.927   7.423
  631    HG   LEU  80           HG       LEU  80  -5.269 -10.510   4.865
  632    HB2  LEU  80           HB2      LEU  80  -3.773  -8.573   5.497
  633    HB3  LEU  80           HB3      LEU  80  -2.414  -9.687   5.547
  634   HD11  LEU  80          HD11      LEU  80  -4.541 -10.574   2.563
  635   HD12  LEU  80          HD12      LEU  80  -4.286  -8.955   3.214
  636   HD13  LEU  80          HD13      LEU  80  -2.896 -10.049   3.017
  637   HD21  LEU  80          HD23      LEU  80  -2.608 -12.003   4.708
  638   HD22  LEU  80          HD21      LEU  80  -3.993 -12.379   5.755
  639   HD23  LEU  80          HD22      LEU  80  -4.141 -12.567   4.008
  640    H    GLU  81           H        GLU  81  -1.386 -10.173   7.784
  641    HA   GLU  81           HA       GLU  81  -1.062  -7.481   9.035
  642    HB2  GLU  81           HB2      GLU  81   0.188 -10.156   9.773
  643    HB3  GLU  81           HB3      GLU  81   0.766  -8.599  10.382
  644    HG2  GLU  81           HG2      GLU  81  -1.326  -8.150  11.508
  645    HG3  GLU  81           HG3      GLU  81  -2.109  -9.542  10.760
  646    H    GLY  82           H        GLY  82   0.151  -9.999   6.842
  647    HA2  GLY  82           HA2      GLY  82   1.241  -9.687   4.856
  648    HA3  GLY  82           HA3      GLY  82   1.196  -7.935   5.115
  649    H    HIS  83           H        HIS  83   2.753 -10.800   6.673
  650    HA   HIS  83           HA       HIS  83   5.039  -9.376   7.602
  651    HD1  HIS  83           HD1      HIS  83   7.322 -13.265   7.720
  652    HD2  HIS  83           HD2      HIS  83   5.937  -9.942   9.912
  653    HE1  HIS  83           HE1      HIS  83   9.075 -12.795   9.497
  654    HB2  HIS  83           HB2      HIS  83   4.133 -11.712   8.284
  655    HB3  HIS  83           HB3      HIS  83   5.025 -12.330   6.910
  656    H    HIS  84           H        HIS  84   7.239  -9.360   6.796
  657    HA   HIS  84           HA       HIS  84   7.313  -8.607   4.071
  658    HD1  HIS  84           HD1      HIS  84   9.405  -7.751   8.097
  659    HD2  HIS  84           HD2      HIS  84   7.788  -5.988   4.628
  660    HE1  HIS  84           HE1      HIS  84   8.534  -5.467   8.796
  661    HB2  HIS  84           HB2      HIS  84   9.652  -9.202   5.930
  662    HB3  HIS  84           HB3      HIS  84   9.697  -8.215   4.471
  663    H    ARG  85           H        ARG  85   7.963 -11.705   5.555
  664    HA   ARG  85           HA       ARG  85   8.414 -13.099   3.074
  665    HE   ARG  85           HE       ARG  85  11.761 -14.853   6.159
  666    HB2  ARG  85           HB2      ARG  85  10.675 -14.001   3.787
  667    HB3  ARG  85           HB3      ARG  85  10.692 -12.339   3.238
  668    HG2  ARG  85           HG2      ARG  85  11.000 -11.450   5.396
  669    HG3  ARG  85           HG3      ARG  85  10.474 -12.922   6.205
  670    HD2  ARG  85           HD2      ARG  85  12.996 -12.757   4.506
  671    HD3  ARG  85           HD3      ARG  85  12.972 -12.453   6.253
  672   HH11  ARG  85          HH21      ARG  85  14.895 -13.725   4.930
  673   HH12  ARG  85          HH22      ARG  85  15.639 -15.277   5.016
  674   HH21  ARG  85          HH11      ARG  85  12.664 -16.907   6.118
  675   HH22  ARG  85          HH12      ARG  85  14.352 -17.139   5.787
  676    H    PHE  86           H        PHE  86   9.271 -15.526   4.040
  677    HA   PHE  86           HA       PHE  86   7.564 -16.049   6.417
  678    HD1  PHE  86           HD2      PHE  86   9.238 -19.450   6.685
  679    HD2  PHE  86           HD1      PHE  86   5.271 -18.010   5.784
  680    HE1  PHE  86           HE2      PHE  86   8.301 -20.941   8.408
  681    HE2  PHE  86           HE1      PHE  86   4.349 -19.458   7.568
  682    HZ   PHE  86           HZ       PHE  86   5.860 -20.919   8.877
  683    HB2  PHE  86           HB2      PHE  86   7.119 -17.421   4.366
  684    HB3  PHE  86           HB3      PHE  86   8.723 -18.126   4.563
  685    H    SER  87           H        SER  87   8.676 -16.444   8.351
  686    HA   SER  87           HA       SER  87  11.638 -16.910   8.133
  687    HG   SER  87           HG       SER  87  11.344 -13.462   8.664
  688    HB2  SER  87           HB2      SER  87  10.188 -15.019  10.010
  689    HB3  SER  87           HB3      SER  87  11.943 -15.253   9.867
  690    H    ILE  88           H        ILE  88  12.599 -18.275   9.539
  691    HA   ILE  88           HA       ILE  88  11.075 -19.600  11.682
  692    HB   ILE  88           HB       ILE  88  14.047 -19.529  10.988
  693   HG12  ILE  88          HG12      ILE  88  12.207 -21.928  10.639
  694   HG13  ILE  88          HG13      ILE  88  12.292 -20.710   9.387
  695   HG21  ILE  88          HG21      ILE  88  14.223 -21.508  12.527
  696   HG22  ILE  88          HG22      ILE  88  13.766 -20.034  13.372
  697   HG23  ILE  88          HG23      ILE  88  12.529 -21.253  13.003
  698   HD11  ILE  88          HD13      ILE  88  13.817 -22.562   8.910
  699   HD12  ILE  88          HD11      ILE  88  14.673 -21.026   9.086
  700   HD13  ILE  88          HD12      ILE  88  14.717 -22.234  10.400
  701    H    VAL  89           H        VAL  89  10.945 -18.787  13.775
  702    HA   VAL  89           HA       VAL  89  12.662 -16.484  14.522
  703    HB   VAL  89           HB       VAL  89  10.764 -15.296  15.450
  704   HG11  VAL  89          HG11      VAL  89  10.208 -15.933  12.526
  705   HG12  VAL  89          HG12      VAL  89   9.729 -14.479  13.419
  706   HG13  VAL  89          HG13      VAL  89  11.444 -14.801  13.119
  707   HG21  VAL  89          HG23      VAL  89   8.428 -15.898  14.962
  708   HG22  VAL  89          HG21      VAL  89   8.960 -17.426  14.232
  709   HG23  VAL  89          HG22      VAL  89   9.212 -17.123  15.964
  710    H    TYR  90           H        TYR  90  12.521 -16.051  16.894
  711    HA   TYR  90           HA       TYR  90  12.214 -18.544  18.493
  712    HD1  TYR  90           HD1      TYR  90  14.705 -20.364  18.472
  713    HD2  TYR  90           HD2      TYR  90  15.181 -16.791  16.099
  714    HE1  TYR  90           HE1      TYR  90  15.820 -21.692  16.701
  715    HE2  TYR  90           HE2      TYR  90  16.257 -18.116  14.306
  716    HH   TYR  90           HH       TYR  90  16.812 -21.658  14.592
  717    HB2  TYR  90           HB2      TYR  90  14.613 -16.669  18.502
  718    HB3  TYR  90           HB3      TYR  90  14.421 -18.123  19.463
  719    H    SER  91           H        SER  91  10.977 -15.585  18.155
  720    HA   SER  91           HA       SER  91  11.388 -14.106  20.474
  721    HG   SER  91           HG       SER  91   9.760 -12.717  17.558
  722    HB2  SER  91           HB2      SER  91   8.783 -14.343  18.922
  723    HB3  SER  91           HB3      SER  91   9.390 -12.943  19.820
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -6.974 -14.072  -0.685
    2    H2   MET   1           H2       MET   1  -6.953 -12.469  -0.391
    3    H3   MET   1           H3       MET   1  -6.029 -13.093  -1.599
    4    HA   MET   1           HA       MET   1  -4.693 -14.314  -0.004
    5    HB2  MET   1           HB2      MET   1  -4.899 -11.313   0.499
    6    HB3  MET   1           HB3      MET   1  -3.657 -12.344   1.203
    7    HG2  MET   1           HG2      MET   1  -4.114 -11.969  -1.774
    8    HG3  MET   1           HG3      MET   1  -2.874 -11.173  -0.823
    9    HE1  MET   1           HE3      MET   1  -0.172 -13.773  -0.193
   10    HE2  MET   1           HE1      MET   1  -0.703 -12.084  -0.099
   11    HE3  MET   1           HE2      MET   1  -1.411 -13.303   0.991
   12    H    LEU   2           H        LEU   2  -4.303 -15.001   2.137
   13    HA   LEU   2           HA       LEU   2  -6.453 -14.566   4.127
   14    HG   LEU   2           HG       LEU   2  -6.328 -17.619   5.168
   15    HB2  LEU   2           HB2      LEU   2  -7.071 -16.366   2.484
   16    HB3  LEU   2           HB3      LEU   2  -5.557 -17.178   2.814
   17   HD11  LEU   2          HD11      LEU   2  -8.689 -17.198   5.736
   18   HD12  LEU   2          HD12      LEU   2  -7.893 -15.673   5.341
   19   HD13  LEU   2          HD13      LEU   2  -8.943 -16.430   4.144
   20   HD21  LEU   2          HD23      LEU   2  -6.698 -19.325   3.477
   21   HD22  LEU   2          HD21      LEU   2  -8.103 -19.252   4.545
   22   HD23  LEU   2          HD22      LEU   2  -8.192 -18.522   2.937
   23    H    GLN   3           H        GLN   3  -5.842 -15.601   6.236
   24    HA   GLN   3           HA       GLN   3  -2.933 -16.094   6.615
   25    HB2  GLN   3           HB2      GLN   3  -3.500 -13.831   7.438
   26    HB3  GLN   3           HB3      GLN   3  -4.871 -14.490   8.316
   27    HG2  GLN   3           HG2      GLN   3  -3.287 -15.797   9.761
   28    HG3  GLN   3           HG3      GLN   3  -1.939 -15.024   8.933
   29   HE21  GLN   3          HE22      GLN   3  -1.678 -12.607   9.215
   30   HE22  GLN   3          HE21      GLN   3  -2.414 -11.860  10.620
   31    H    TYR   4           H        TYR   4  -2.547 -17.889   7.846
   32    HA   TYR   4           HA       TYR   4  -4.769 -19.261   9.282
   33    HD1  TYR   4           HD1      TYR   4  -5.975 -19.589   7.464
   34    HD2  TYR   4           HD2      TYR   4  -3.345 -22.976   6.972
   35    HE1  TYR   4           HE1      TYR   4  -7.718 -20.749   6.191
   36    HE2  TYR   4           HE2      TYR   4  -5.081 -24.125   5.638
   37    HH   TYR   4           HH       TYR   4  -7.272 -24.045   4.852
   38    HB2  TYR   4           HB2      TYR   4  -2.539 -20.412   7.570
   39    HB3  TYR   4           HB3      TYR   4  -3.177 -21.306   8.923
   40    H    ARG   5           H        ARG   5  -4.097 -20.311  11.180
   41    HA   ARG   5           HA       ARG   5  -1.312 -19.925  12.092
   42    HE   ARG   5           HE       ARG   5  -3.575 -17.590  15.828
   43    HB2  ARG   5           HB2      ARG   5  -2.825 -18.438  13.462
   44    HB3  ARG   5           HB3      ARG   5  -3.764 -19.870  13.908
   45    HG2  ARG   5           HG2      ARG   5  -1.602 -20.843  14.900
   46    HG3  ARG   5           HG3      ARG   5  -0.855 -19.263  14.615
   47    HD2  ARG   5           HD2      ARG   5  -3.302 -19.839  16.342
   48    HD3  ARG   5           HD3      ARG   5  -1.682 -19.555  16.946
   49   HH11  ARG   5          HH21      ARG   5  -0.312 -18.094  17.239
   50   HH12  ARG   5          HH22      ARG   5   0.024 -16.401  17.304
   51   HH21  ARG   5          HH11      ARG   5  -3.096 -15.366  15.989
   52   HH22  ARG   5          HH12      ARG   5  -1.596 -14.831  16.637
   53    H    ILE   6           H        ILE   6  -0.497 -21.929  12.851
   54    HA   ILE   6           HA       ILE   6  -2.336 -24.263  12.747
   55    HB   ILE   6           HB       ILE   6   0.375 -24.113  11.393
   56   HG12  ILE   6          HG12      ILE   6  -2.330 -24.299  10.002
   57   HG13  ILE   6          HG13      ILE   6  -1.388 -22.815  10.126
   58   HG21  ILE   6          HG21      ILE   6  -1.686 -26.351  11.388
   59   HG22  ILE   6          HG22      ILE   6  -0.138 -26.354  10.516
   60   HG23  ILE   6          HG23      ILE   6  -0.147 -26.353  12.266
   61   HD11  ILE   6          HD13      ILE   6  -1.010 -23.721   7.965
   62   HD12  ILE   6          HD11      ILE   6   0.488 -23.874   8.903
   63   HD13  ILE   6          HD12      ILE   6  -0.535 -25.298   8.612
   64    H    ILE   7           H        ILE   7  -1.719 -25.873  14.210
   65    HA   ILE   7           HA       ILE   7   0.606 -25.360  15.995
   66    HB   ILE   7           HB       ILE   7  -2.182 -26.258  16.842
   67   HG12  ILE   7          HG12      ILE   7  -2.262 -23.837  16.334
   68   HG13  ILE   7          HG13      ILE   7  -2.524 -24.192  18.024
   69   HG21  ILE   7          HG21      ILE   7  -1.280 -25.991  19.164
   70   HG22  ILE   7          HG22      ILE   7  -0.496 -27.272  18.233
   71   HG23  ILE   7          HG23      ILE   7   0.337 -25.721  18.468
   72   HD11  ILE   7          HD13      ILE   7  -0.307 -23.413  18.628
   73   HD12  ILE   7          HD11      ILE   7   0.151 -23.278  16.917
   74   HD13  ILE   7          HD12      ILE   7  -1.077 -22.194  17.593
   75    H    VAL   8           H        VAL   8   1.727 -27.330  16.406
   76    HA   VAL   8           HA       VAL   8   0.587 -29.805  15.205
   77    HB   VAL   8           HB       VAL   8   3.470 -29.124  14.700
   78   HG11  VAL   8          HG11      VAL   8   2.631 -31.338  14.163
   79   HG12  VAL   8          HG12      VAL   8   1.376 -30.643  13.114
   80   HG13  VAL   8          HG13      VAL   8   3.094 -30.487  12.687
   81   HG21  VAL   8          HG23      VAL   8   2.414 -27.075  13.815
   82   HG22  VAL   8          HG21      VAL   8   3.009 -28.105  12.521
   83   HG23  VAL   8          HG22      VAL   8   1.270 -28.075  12.881
   84    H    ASP   9           H        ASP   9   1.403 -31.747  16.157
   85    HA   ASP   9           HA       ASP   9   3.369 -31.499  18.352
   86    HB2  ASP   9           HB2      ASP   9   1.060 -31.264  19.338
   87    HB3  ASP   9           HB3      ASP   9   0.652 -32.817  18.631
   88    H    GLY  10           H        GLY  10   4.227 -33.596  18.978
   89    HA2  GLY  10           HA2      GLY  10   4.112 -36.094  18.352
   90    HA3  GLY  10           HA3      GLY  10   4.370 -35.506  16.704
   91    H    ARG  11           H        ARG  11   6.420 -36.687  16.719
   92    HA   ARG  11           HA       ARG  11   8.665 -35.414  18.172
   93    HE   ARG  11           HE       ARG  11  11.658 -37.789  14.346
   94    HB2  ARG  11           HB2      ARG  11   8.846 -37.811  17.498
   95    HB3  ARG  11           HB3      ARG  11   8.751 -37.321  15.799
   96    HG2  ARG  11           HG2      ARG  11  10.811 -35.945  16.079
   97    HG3  ARG  11           HG3      ARG  11  10.869 -36.393  17.786
   98    HD2  ARG  11           HD2      ARG  11  12.464 -37.727  16.603
   99    HD3  ARG  11           HD3      ARG  11  11.163 -38.779  17.142
  100   HH11  ARG  11          HH21      ARG  11  10.165 -40.258  16.443
  101   HH12  ARG  11          HH22      ARG  11   9.799 -41.317  15.135
  102   HH21  ARG  11          HH11      ARG  11  11.152 -39.122  12.675
  103   HH22  ARG  11          HH12      ARG  11  10.373 -40.658  12.908
  104    H    VAL  12           H        VAL  12   8.040 -33.273  17.676
  105    HA   VAL  12           HA       VAL  12   8.608 -32.412  14.882
  106    HB   VAL  12           HB       VAL  12   6.851 -30.731  15.103
  107   HG11  VAL  12          HG11      VAL  12   4.923 -32.149  14.854
  108   HG12  VAL  12          HG12      VAL  12   6.321 -32.988  14.159
  109   HG13  VAL  12          HG13      VAL  12   5.697 -33.471  15.743
  110   HG21  VAL  12          HG23      VAL  12   6.835 -30.457  17.595
  111   HG22  VAL  12          HG21      VAL  12   5.228 -30.703  16.907
  112   HG23  VAL  12          HG22      VAL  12   6.049 -32.033  17.744
  113    H    GLN  13           H        GLN  13  10.344 -32.594  17.403
  114    HA   GLN  13           HA       GLN  13  11.343 -29.820  17.269
  115    HB2  GLN  13           HB2      GLN  13  11.228 -31.301  19.922
  116    HB3  GLN  13           HB3      GLN  13  11.647 -29.619  19.604
  117    HG2  GLN  13           HG2      GLN  13   9.154 -29.404  18.821
  118    HG3  GLN  13           HG3      GLN  13   8.908 -30.917  19.678
  119   HE21  GLN  13          HE22      GLN  13   8.593 -27.678  20.034
  120   HE22  GLN  13          HE21      GLN  13   8.805 -27.493  21.766
  121    H    GLY  14           H        GLY  14  13.516 -29.737  17.119
  122    HA2  GLY  14           HA2      GLY  14  15.721 -30.360  17.316
  123    HA3  GLY  14           HA3      GLY  14  15.266 -31.782  18.279
  124    H    VAL  15           H        VAL  15  13.892 -30.901  15.114
  125    HA   VAL  15           HA       VAL  15  15.357 -33.146  13.800
  126    HB   VAL  15           HB       VAL  15  13.265 -33.804  12.630
  127   HG11  VAL  15          HG11      VAL  15  12.381 -35.192  14.389
  128   HG12  VAL  15          HG12      VAL  15  14.138 -35.088  14.559
  129   HG13  VAL  15          HG13      VAL  15  13.089 -34.153  15.645
  130   HG21  VAL  15          HG23      VAL  15  11.876 -31.817  12.963
  131   HG22  VAL  15          HG21      VAL  15  11.069 -33.251  13.602
  132   HG23  VAL  15          HG22      VAL  15  11.832 -32.100  14.717
  133    H    GLY  16           H        GLY  16  14.353 -29.857  13.747
  134    HA2  GLY  16           HA2      GLY  16  15.215 -28.299  12.219
  135    HA3  GLY  16           HA3      GLY  16  15.340 -29.547  10.958
  136    H    PHE  17           H        PHE  17  12.540 -29.199  13.199
  137    HA   PHE  17           HA       PHE  17  10.732 -29.598  11.003
  138    HD1  PHE  17           HD2      PHE  17   7.868 -27.594  12.279
  139    HD2  PHE  17           HD1      PHE  17   8.967 -31.733  12.648
  140    HE1  PHE  17           HE2      PHE  17   5.596 -28.269  11.526
  141    HE2  PHE  17           HE1      PHE  17   6.723 -32.409  11.825
  142    HZ   PHE  17           HZ       PHE  17   5.027 -30.684  11.272
  143    HB2  PHE  17           HB2      PHE  17  10.388 -30.061  13.545
  144    HB3  PHE  17           HB3      PHE  17   9.910 -28.377  13.652
  145    H    ARG  18           H        ARG  18  11.776 -26.643  12.829
  146    HA   ARG  18           HA       ARG  18  10.044 -24.838  11.431
  147    HE   ARG  18           HE       ARG  18  12.650 -25.247  15.177
  148    HB2  ARG  18           HB2      ARG  18  12.779 -24.489  12.721
  149    HB3  ARG  18           HB3      ARG  18  11.868 -23.146  12.028
  150    HG2  ARG  18           HG2      ARG  18  10.112 -23.313  13.573
  151    HG3  ARG  18           HG3      ARG  18  10.582 -24.918  14.138
  152    HD2  ARG  18           HD2      ARG  18  12.396 -22.497  14.451
  153    HD3  ARG  18           HD3      ARG  18  11.113 -22.866  15.611
  154   HH11  ARG  18          HH11      ARG  18  13.083 -21.995  16.573
  155   HH12  ARG  18          HH12      ARG  18  13.902 -22.583  18.013
  156   HH21  ARG  18          HH21      ARG  18  13.645 -26.003  17.046
  157   HH22  ARG  18          HH22      ARG  18  14.351 -24.888  18.219
  158    H    TYR  19           H        TYR  19  13.275 -26.110  10.502
  159    HA   TYR  19           HA       TYR  19  13.540 -24.317   8.236
  160    HD1  TYR  19           HD2      TYR  19  16.277 -23.840   7.433
  161    HD2  TYR  19           HD1      TYR  19  15.176 -27.958   6.739
  162    HE1  TYR  19           HE2      TYR  19  17.481 -23.791   5.274
  163    HE2  TYR  19           HE1      TYR  19  16.370 -27.915   4.570
  164    HH   TYR  19           HH       TYR  19  18.114 -25.002   3.383
  165    HB2  TYR  19           HB2      TYR  19  15.497 -25.354   9.295
  166    HB3  TYR  19           HB3      TYR  19  14.893 -26.962   8.926
  167    H    PHE  20           H        PHE  20  12.389 -27.748   8.599
  168    HA   PHE  20           HA       PHE  20  11.859 -28.018   5.821
  169    HD1  PHE  20           HD2      PHE  20  12.359 -30.184   4.939
  170    HD2  PHE  20           HD1      PHE  20  12.416 -30.741   9.219
  171    HE1  PHE  20           HE2      PHE  20  14.354 -31.638   4.726
  172    HE2  PHE  20           HE1      PHE  20  14.413 -32.194   8.994
  173    HZ   PHE  20           HZ       PHE  20  15.394 -32.634   6.755
  174    HB2  PHE  20           HB2      PHE  20  10.680 -29.425   8.247
  175    HB3  PHE  20           HB3      PHE  20  10.256 -29.846   6.593
  176    H    VAL  21           H        VAL  21   9.761 -26.775   8.489
  177    HA   VAL  21           HA       VAL  21   7.502 -26.298   6.816
  178    HB   VAL  21           HB       VAL  21   8.443 -25.005   9.401
  179   HG11  VAL  21          HG11      VAL  21   6.928 -23.420   8.224
  180   HG12  VAL  21          HG12      VAL  21   5.738 -24.721   8.029
  181   HG13  VAL  21          HG13      VAL  21   6.153 -24.115   9.646
  182   HG21  VAL  21          HG23      VAL  21   7.742 -27.434   9.505
  183   HG22  VAL  21          HG21      VAL  21   6.650 -26.367  10.399
  184   HG23  VAL  21          HG22      VAL  21   6.193 -26.991   8.799
  185    H    GLN  22           H        GLN  22  10.463 -24.270   7.440
  186    HA   GLN  22           HA       GLN  22   9.523 -22.058   5.923
  187    HB2  GLN  22           HB2      GLN  22  11.480 -21.966   7.447
  188    HB3  GLN  22           HB3      GLN  22  12.407 -22.973   6.323
  189    HG2  GLN  22           HG2      GLN  22  12.149 -21.248   4.566
  190    HG3  GLN  22           HG3      GLN  22  11.223 -20.245   5.681
  191   HE21  GLN  22          HE22      GLN  22  12.402 -18.681   6.793
  192   HE22  GLN  22          HE21      GLN  22  14.146 -18.724   6.962
  193    H    MET  23           H        MET  23  11.279 -25.050   4.872
  194    HA   MET  23           HA       MET  23  11.484 -24.168   2.130
  195    HB2  MET  23           HB2      MET  23  11.380 -27.030   3.216
  196    HB3  MET  23           HB3      MET  23  11.887 -26.553   1.600
  197    HG2  MET  23           HG2      MET  23  13.339 -25.999   4.203
  198    HG3  MET  23           HG3      MET  23  13.800 -27.089   2.919
  199    HE1  MET  23           HE3      MET  23  13.175 -23.115   3.569
  200    HE2  MET  23           HE1      MET  23  14.355 -23.950   4.602
  201    HE3  MET  23           HE2      MET  23  14.901 -22.744   3.412
  202    H    GLU  24           H        GLU  24   8.967 -26.033   3.902
  203    HA   GLU  24           HA       GLU  24   7.351 -26.591   1.613
  204    HB2  GLU  24           HB2      GLU  24   6.819 -26.383   4.595
  205    HB3  GLU  24           HB3      GLU  24   5.561 -26.847   3.440
  206    HG2  GLU  24           HG2      GLU  24   6.713 -28.808   2.758
  207    HG3  GLU  24           HG3      GLU  24   8.221 -28.313   3.498
  208    H    ALA  25           H        ALA  25   7.443 -23.834   3.910
  209    HA   ALA  25           HA       ALA  25   5.248 -22.400   2.799
  210    HB1  ALA  25           HB3      ALA  25   6.197 -21.864   5.006
  211    HB2  ALA  25           HB1      ALA  25   7.737 -21.394   4.255
  212    HB3  ALA  25           HB2      ALA  25   6.278 -20.450   3.940
  213    H    ASP  26           H        ASP  26   8.761 -22.451   1.981
  214    HA   ASP  26           HA       ASP  26   8.662 -20.443  -0.014
  215    HB2  ASP  26           HB2      ASP  26  10.742 -21.577   1.062
  216    HB3  ASP  26           HB3      ASP  26  10.508 -22.857  -0.110
  217    H    LYS  27           H        LYS  27   8.319 -24.010  -0.263
  218    HA   LYS  27           HA       LYS  27   7.773 -24.161  -3.035
  219    HB2  LYS  27           HB2      LYS  27   8.459 -26.036  -1.712
  220    HB3  LYS  27           HB3      LYS  27   7.059 -25.929  -0.663
  221    HG2  LYS  27           HG2      LYS  27   6.598 -26.393  -3.608
  222    HG3  LYS  27           HG3      LYS  27   7.278 -27.711  -2.670
  223    HD2  LYS  27           HD2      LYS  27   4.768 -26.262  -1.777
  224    HD3  LYS  27           HD3      LYS  27   4.696 -27.616  -2.901
  225    HE2  LYS  27           HE2      LYS  27   5.896 -27.727  -0.091
  226    HE3  LYS  27           HE3      LYS  27   4.249 -28.205  -0.499
  227    HZ1  LYS  27           HZ3      LYS  27   5.157 -29.921  -1.955
  228    HZ2  LYS  27           HZ1      LYS  27   6.691 -29.502  -1.576
  229    HZ3  LYS  27           HZ2      LYS  27   5.705 -30.120  -0.437
  230    H    ARG  28           H        ARG  28   5.724 -23.005  -0.457
  231    HA   ARG  28           HA       ARG  28   3.424 -22.743  -2.338
  232    HE   ARG  28           HE       ARG  28   3.450 -24.724  -2.648
  233    HB2  ARG  28           HB2      ARG  28   3.704 -22.698   0.698
  234    HB3  ARG  28           HB3      ARG  28   2.202 -22.374  -0.138
  235    HG2  ARG  28           HG2      ARG  28   3.734 -25.015  -0.193
  236    HG3  ARG  28           HG3      ARG  28   2.348 -24.651   0.794
  237    HD2  ARG  28           HD2      ARG  28   1.530 -25.944  -0.977
  238    HD3  ARG  28           HD3      ARG  28   0.980 -24.291  -1.277
  239   HH11  ARG  28          HH21      ARG  28   0.051 -25.735  -2.870
  240   HH12  ARG  28          HH22      ARG  28   0.092 -25.918  -4.593
  241   HH21  ARG  28          HH11      ARG  28   3.525 -24.960  -4.858
  242   HH22  ARG  28          HH12      ARG  28   2.146 -25.484  -5.758
  243    H    LYS  29           H        LYS  29   6.024 -20.963  -1.702
  244    HA   LYS  29           HA       LYS  29   6.580 -18.829  -1.342
  245    HB2  LYS  29           HB2      LYS  29   4.494 -18.535  -3.524
  246    HB3  LYS  29           HB3      LYS  29   5.683 -17.298  -3.123
  247    HG2  LYS  29           HG2      LYS  29   6.414 -20.110  -4.049
  248    HG3  LYS  29           HG3      LYS  29   6.282 -18.707  -5.102
  249    HD2  LYS  29           HD2      LYS  29   8.072 -17.548  -3.916
  250    HD3  LYS  29           HD3      LYS  29   8.249 -18.872  -2.760
  251    HE2  LYS  29           HE2      LYS  29   8.542 -19.283  -5.757
  252    HE3  LYS  29           HE3      LYS  29   9.899 -18.759  -4.754
  253    HZ1  LYS  29           HZ3      LYS  29   9.676 -21.226  -5.124
  254    HZ2  LYS  29           HZ1      LYS  29   9.874 -20.769  -3.564
  255    HZ3  LYS  29           HZ2      LYS  29   8.401 -21.201  -4.075
  256    H    LEU  30           H        LEU  30   4.955 -19.546   0.705
  257    HA   LEU  30           HA       LEU  30   2.969 -17.482   1.274
  258    HG   LEU  30           HG       LEU  30   3.053 -20.680   1.394
  259    HB2  LEU  30           HB2      LEU  30   4.388 -19.482   3.082
  260    HB3  LEU  30           HB3      LEU  30   2.988 -18.518   3.518
  261   HD11  LEU  30          HD11      LEU  30   3.214 -21.571   3.668
  262   HD12  LEU  30          HD12      LEU  30   1.795 -20.626   4.154
  263   HD13  LEU  30          HD13      LEU  30   1.628 -21.920   2.962
  264   HD21  LEU  30          HD23      LEU  30   1.373 -19.024   0.763
  265   HD22  LEU  30          HD21      LEU  30   0.578 -20.480   1.361
  266   HD23  LEU  30          HD22      LEU  30   0.695 -19.053   2.411
  267    H    ALA  31           H        ALA  31   3.237 -16.208   3.314
  268    HA   ALA  31           HA       ALA  31   6.034 -15.603   4.104
  269    HB1  ALA  31           HB3      ALA  31   5.479 -13.291   4.531
  270    HB2  ALA  31           HB1      ALA  31   5.126 -13.626   2.830
  271    HB3  ALA  31           HB2      ALA  31   3.797 -13.529   4.017
  272    H    GLY  32           H        GLY  32   6.017 -14.905   6.501
  273    HA2  GLY  32           HA2      GLY  32   4.077 -15.001   8.378
  274    HA3  GLY  32           HA3      GLY  32   4.164 -16.695   7.880
  275    H    TRP  33           H        TRP  33   4.855 -17.345   9.937
  276    HA   TRP  33           HA       TRP  33   7.688 -17.568   9.974
  277    HD1  TRP  33           HD1      TRP  33   6.101 -17.717  14.043
  278    HE1  TRP  33           HE1      TRP  33   4.282 -16.399  15.262
  279    HE3  TRP  33           HE3      TRP  33   5.927 -13.586  11.014
  280    HZ2  TRP  33           HZ2      TRP  33   3.117 -13.766  15.120
  281    HZ3  TRP  33           HZ3      TRP  33   4.440 -11.686  11.581
  282    HH2  TRP  33           HH2      TRP  33   3.041 -11.751  13.638
  283    HB2  TRP  33           HB2      TRP  33   8.054 -16.832  12.300
  284    HB3  TRP  33           HB3      TRP  33   7.597 -15.513  11.258
  285    H    VAL  34           H        VAL  34   8.378 -19.068  11.794
  286    HA   VAL  34           HA       VAL  34   6.247 -20.825  12.836
  287    HB   VAL  34           HB       VAL  34   6.978 -21.820  10.724
  288   HG11  VAL  34          HG11      VAL  34   9.239 -22.655  10.337
  289   HG12  VAL  34          HG12      VAL  34   9.238 -20.896  10.482
  290   HG13  VAL  34          HG13      VAL  34   9.808 -21.883  11.829
  291   HG21  VAL  34          HG23      VAL  34   8.002 -23.374  13.131
  292   HG22  VAL  34          HG21      VAL  34   6.345 -23.291  12.562
  293   HG23  VAL  34          HG22      VAL  34   7.582 -24.053  11.551
  294    H    LYS  35           H        LYS  35   6.743 -21.622  14.880
  295    HA   LYS  35           HA       LYS  35   9.404 -21.043  16.042
  296    HB2  LYS  35           HB2      LYS  35   8.414 -20.036  18.017
  297    HB3  LYS  35           HB3      LYS  35   7.977 -19.100  16.591
  298    HG2  LYS  35           HG2      LYS  35   5.717 -20.086  16.599
  299    HG3  LYS  35           HG3      LYS  35   6.153 -21.103  17.990
  300    HD2  LYS  35           HD2      LYS  35   6.574 -19.081  19.354
  301    HD3  LYS  35           HD3      LYS  35   6.131 -18.051  17.972
  302    HE2  LYS  35           HE2      LYS  35   3.871 -19.033  17.938
  303    HE3  LYS  35           HE3      LYS  35   4.301 -20.135  19.252
  304    HZ1  LYS  35           HZ3      LYS  35   4.585 -18.196  20.691
  305    HZ2  LYS  35           HZ1      LYS  35   4.149 -17.185  19.481
  306    HZ3  LYS  35           HZ2      LYS  35   3.077 -18.263  20.079
  307    H    ASN  36           H        ASN  36   9.728 -22.301  18.087
  308    HA   ASN  36           HA       ASN  36   8.019 -24.739  18.088
  309    HB2  ASN  36           HB2      ASN  36  10.376 -24.893  16.890
  310    HB3  ASN  36           HB3      ASN  36  10.980 -25.072  18.544
  311   HD21  ASN  36          HD22      ASN  36  11.365 -27.326  16.876
  312   HD22  ASN  36          HD21      ASN  36   9.999 -28.419  16.969
  313    H    ARG  37           H        ARG  37   7.144 -25.095  20.016
  314    HA   ARG  37           HA       ARG  37   7.722 -22.976  21.943
  315    HE   ARG  37           HE       ARG  37   3.283 -24.688  22.167
  316    HB2  ARG  37           HB2      ARG  37   5.504 -25.040  21.691
  317    HB3  ARG  37           HB3      ARG  37   5.481 -23.704  22.835
  318    HG2  ARG  37           HG2      ARG  37   5.180 -22.084  21.143
  319    HG3  ARG  37           HG3      ARG  37   5.710 -23.167  19.848
  320    HD2  ARG  37           HD2      ARG  37   3.249 -22.663  19.953
  321    HD3  ARG  37           HD3      ARG  37   3.732 -24.345  19.760
  322   HH11  ARG  37          HH21      ARG  37   1.582 -21.902  20.571
  323   HH12  ARG  37          HH22      ARG  37   0.176 -22.119  21.541
  324   HH21  ARG  37          HH11      ARG  37   1.364 -24.948  23.323
  325   HH22  ARG  37          HH12      ARG  37   0.058 -23.816  23.157
  326    H    ASP  38           H        ASP  38   7.859 -23.292  24.223
  327    HA   ASP  38           HA       ASP  38   9.447 -25.496  25.094
  328    HB2  ASP  38           HB2      ASP  38   9.532 -23.286  26.154
  329    HB3  ASP  38           HB3      ASP  38   7.844 -23.430  26.653
  330    H    ASP  39           H        ASP  39   5.959 -25.014  24.983
  331    HA   ASP  39           HA       ASP  39   5.273 -27.137  26.771
  332    HB2  ASP  39           HB2      ASP  39   3.092 -26.701  26.303
  333    HB3  ASP  39           HB3      ASP  39   3.808 -25.137  25.939
  334    H    GLY  40           H        GLY  40   6.712 -27.261  23.716
  335    HA2  GLY  40           HA2      GLY  40   7.515 -29.345  22.950
  336    HA3  GLY  40           HA3      GLY  40   6.037 -30.144  23.474
  337    H    ARG  41           H        ARG  41   4.737 -27.466  22.066
  338    HA   ARG  41           HA       ARG  41   4.195 -29.025  19.615
  339    HE   ARG  41           HE       ARG  41  -0.834 -29.524  21.316
  340    HB2  ARG  41           HB2      ARG  41   2.892 -26.546  20.823
  341    HB3  ARG  41           HB3      ARG  41   2.356 -27.351  19.348
  342    HG2  ARG  41           HG2      ARG  41   1.942 -29.438  20.605
  343    HG3  ARG  41           HG3      ARG  41   2.468 -28.664  22.110
  344    HD2  ARG  41           HD2      ARG  41   0.615 -27.072  22.007
  345    HD3  ARG  41           HD3      ARG  41   0.152 -27.677  20.419
  346   HH11  ARG  41          HH11      ARG  41   0.860 -27.803  23.965
  347   HH12  ARG  41          HH12      ARG  41   0.149 -28.789  25.195
  348   HH21  ARG  41          HH21      ARG  41  -1.762 -30.784  22.977
  349   HH22  ARG  41          HH22      ARG  41  -1.371 -30.493  24.627
  350    H    VAL  42           H        VAL  42   4.220 -27.996  17.555
  351    HA   VAL  42           HA       VAL  42   6.096 -25.677  17.266
  352    HB   VAL  42           HB       VAL  42   4.871 -27.631  15.278
  353   HG11  VAL  42          HG11      VAL  42   6.115 -26.460  13.477
  354   HG12  VAL  42          HG12      VAL  42   4.821 -25.477  14.146
  355   HG13  VAL  42          HG13      VAL  42   6.507 -25.153  14.614
  356   HG21  VAL  42          HG23      VAL  42   7.131 -28.290  14.796
  357   HG22  VAL  42          HG21      VAL  42   7.792 -26.972  15.778
  358   HG23  VAL  42          HG22      VAL  42   6.948 -28.328  16.546
  359    H    GLU  43           H        GLU  43   5.247 -23.767  16.319
  360    HA   GLU  43           HA       GLU  43   2.353 -23.695  15.780
  361    HB2  GLU  43           HB2      GLU  43   2.378 -22.871  17.966
  362    HB3  GLU  43           HB3      GLU  43   3.825 -21.879  17.705
  363    HG2  GLU  43           HG2      GLU  43   2.610 -20.314  16.340
  364    HG3  GLU  43           HG3      GLU  43   1.197 -21.366  16.259
  365    H    ILE  44           H        ILE  44   1.850 -22.336  14.107
  366    HA   ILE  44           HA       ILE  44   4.060 -21.051  12.611
  367    HB   ILE  44           HB       ILE  44   1.854 -22.575  11.247
  368   HG12  ILE  44          HG12      ILE  44   4.331 -23.980  12.295
  369   HG13  ILE  44          HG13      ILE  44   2.658 -24.336  12.705
  370   HG21  ILE  44          HG21      ILE  44   4.748 -22.105  10.475
  371   HG22  ILE  44          HG22      ILE  44   3.460 -22.717   9.418
  372   HG23  ILE  44          HG23      ILE  44   3.398 -21.059   9.999
  373   HD11  ILE  44          HD13      ILE  44   2.248 -25.048  10.350
  374   HD12  ILE  44          HD11      ILE  44   3.979 -24.834  10.018
  375   HD13  ILE  44          HD12      ILE  44   3.458 -26.017  11.217
  376    H    LEU  45           H        LEU  45   3.304 -19.200  11.477
  377    HA   LEU  45           HA       LEU  45   0.396 -18.675  11.406
  378    HG   LEU  45           HG       LEU  45  -0.635 -16.621  12.222
  379    HB2  LEU  45           HB2      LEU  45   1.414 -17.502  13.403
  380    HB3  LEU  45           HB3      LEU  45   2.425 -16.574  12.298
  381   HD11  LEU  45          HD11      LEU  45   1.225 -14.577  13.497
  382   HD12  LEU  45          HD12      LEU  45  -0.547 -14.469  13.404
  383   HD13  LEU  45          HD13      LEU  45   0.215 -15.741  14.372
  384   HD21  LEU  45          HD23      LEU  45  -0.300 -14.396  11.022
  385   HD22  LEU  45          HD21      LEU  45   1.419 -14.805  10.875
  386   HD23  LEU  45          HD22      LEU  45   0.174 -15.808  10.089
  387    H    ALA  46           H        ALA  46  -0.008 -18.365   9.240
  388    HA   ALA  46           HA       ALA  46   2.263 -17.623   7.469
  389    HB1  ALA  46           HB3      ALA  46   0.567 -20.139   7.173
  390    HB2  ALA  46           HB1      ALA  46   1.895 -19.600   6.119
  391    HB3  ALA  46           HB2      ALA  46   2.240 -20.106   7.781
  392    H    GLU  47           H        GLU  47   1.618 -16.915   5.401
  393    HA   GLU  47           HA       GLU  47  -1.230 -16.125   5.121
  394    HB2  GLU  47           HB2      GLU  47   1.206 -14.304   4.851
  395    HB3  GLU  47           HB3      GLU  47  -0.500 -13.861   4.678
  396    HG2  GLU  47           HG2      GLU  47  -0.834 -14.573   7.076
  397    HG3  GLU  47           HG3      GLU  47   0.924 -14.716   7.236
  398    H    GLY  48           H        GLY  48  -1.948 -16.069   3.012
  399    HA2  GLY  48           HA2      GLY  48  -0.487 -15.840   0.631
  400    HA3  GLY  48           HA3      GLY  48  -0.456 -17.549   1.073
  401    HA   PRO  49           HA       PRO  49  -4.613 -16.873  -0.920
  402    HB2  PRO  49           HB2      PRO  49  -4.332 -18.579  -3.049
  403    HB3  PRO  49           HB3      PRO  49  -3.887 -16.846  -3.108
  404    HG2  PRO  49           HG2      PRO  49  -2.086 -19.226  -2.679
  405    HG3  PRO  49           HG3      PRO  49  -1.812 -17.809  -3.734
  406    HD2  PRO  49           HD2      PRO  49  -0.717 -18.044  -1.214
  407    HD3  PRO  49           HD3      PRO  49  -1.165 -16.466  -1.923
  408    H    GLU  50           H        GLU  50  -6.274 -18.487  -0.793
  409    HA   GLU  50           HA       GLU  50  -5.960 -20.158   1.418
  410    HB2  GLU  50           HB2      GLU  50  -8.072 -19.140   0.613
  411    HB3  GLU  50           HB3      GLU  50  -8.106 -20.270  -0.744
  412    HG2  GLU  50           HG2      GLU  50  -8.320 -22.174   0.790
  413    HG3  GLU  50           HG3      GLU  50  -8.120 -21.115   2.188
  414    H    ASN  51           H        ASN  51  -5.891 -21.075  -2.069
  415    HA   ASN  51           HA       ASN  51  -5.800 -23.884  -1.602
  416    HB2  ASN  51           HB2      ASN  51  -6.296 -22.985  -3.824
  417    HB3  ASN  51           HB3      ASN  51  -4.699 -22.230  -3.916
  418   HD21  ASN  51          HD22      ASN  51  -6.339 -25.448  -3.695
  419   HD22  ASN  51          HD21      ASN  51  -5.041 -26.327  -4.453
  420    H    ALA  52           H        ALA  52  -3.209 -21.457  -1.706
  421    HA   ALA  52           HA       ALA  52  -1.047 -23.381  -1.627
  422    HB1  ALA  52           HB3      ALA  52  -0.690 -21.089  -2.459
  423    HB2  ALA  52           HB1      ALA  52  -1.073 -20.435  -0.840
  424    HB3  ALA  52           HB2      ALA  52   0.361 -21.440  -1.084
  425    H    LEU  53           H        LEU  53  -2.900 -21.504   0.833
  426    HA   LEU  53           HA       LEU  53  -1.358 -22.470   3.054
  427    HG   LEU  53           HG       LEU  53  -2.136 -19.722   2.506
  428    HB2  LEU  53           HB2      LEU  53  -4.139 -21.278   2.785
  429    HB3  LEU  53           HB3      LEU  53  -3.469 -21.762   4.332
  430   HD11  LEU  53          HD11      LEU  53  -4.307 -18.930   3.297
  431   HD12  LEU  53          HD12      LEU  53  -3.871 -19.302   4.979
  432   HD13  LEU  53          HD13      LEU  53  -2.997 -18.039   4.081
  433   HD21  LEU  53          HD23      LEU  53  -0.534 -20.777   4.055
  434   HD22  LEU  53          HD21      LEU  53  -0.861 -19.119   4.550
  435   HD23  LEU  53          HD22      LEU  53  -1.619 -20.469   5.422
  436    H    GLN  54           H        GLN  54  -4.310 -23.772   1.431
  437    HA   GLN  54           HA       GLN  54  -4.710 -25.882   3.312
  438    HB2  GLN  54           HB2      GLN  54  -5.421 -25.493   0.375
  439    HB3  GLN  54           HB3      GLN  54  -5.828 -26.973   1.232
  440    HG2  GLN  54           HG2      GLN  54  -6.718 -24.209   2.161
  441    HG3  GLN  54           HG3      GLN  54  -7.679 -25.267   1.134
  442   HE21  GLN  54          HE22      GLN  54  -8.606 -27.231   2.060
  443   HE22  GLN  54          HE21      GLN  54  -8.658 -27.463   3.789
  444    H    SER  55           H        SER  55  -2.829 -25.814   0.211
  445    HA   SER  55           HA       SER  55  -1.949 -28.528   0.556
  446    HG   SER  55           HG       SER  55  -1.982 -25.614  -1.463
  447    HB2  SER  55           HB2      SER  55  -0.152 -27.784  -1.138
  448    HB3  SER  55           HB3      SER  55  -1.848 -27.838  -1.631
  449    H    PHE  56           H        PHE  56  -0.672 -25.440   1.760
  450    HA   PHE  56           HA       PHE  56   1.759 -26.457   2.815
  451    HD1  PHE  56           HD1      PHE  56   3.645 -25.051   3.558
  452    HD2  PHE  56           HD2      PHE  56   0.410 -23.320   5.838
  453    HE1  PHE  56           HE1      PHE  56   5.254 -24.299   5.295
  454    HE2  PHE  56           HE2      PHE  56   2.028 -22.546   7.540
  455    HZ   PHE  56           HZ       PHE  56   4.454 -22.997   7.249
  456    HB2  PHE  56           HB2      PHE  56   1.249 -24.082   2.586
  457    HB3  PHE  56           HB3      PHE  56  -0.039 -24.207   3.757
  458    H    VAL  57           H        VAL  57  -1.586 -26.312   4.285
  459    HA   VAL  57           HA       VAL  57  -0.812 -27.567   6.717
  460    HB   VAL  57           HB       VAL  57  -3.470 -27.546   5.241
  461   HG11  VAL  57          HG11      VAL  57  -3.433 -29.593   6.639
  462   HG12  VAL  57          HG12      VAL  57  -2.902 -28.633   8.033
  463   HG13  VAL  57          HG13      VAL  57  -4.511 -28.373   7.326
  464   HG21  VAL  57          HG23      VAL  57  -2.638 -25.378   6.232
  465   HG22  VAL  57          HG21      VAL  57  -4.133 -25.966   6.968
  466   HG23  VAL  57          HG22      VAL  57  -2.590 -26.169   7.817
  467    H    GLU  58           H        GLU  58  -1.804 -29.007   3.538
  468    HA   GLU  58           HA       GLU  58  -1.658 -31.686   4.412
  469    HB2  GLU  58           HB2      GLU  58  -1.126 -30.572   1.633
  470    HB3  GLU  58           HB3      GLU  58  -1.291 -32.283   2.026
  471    HG2  GLU  58           HG2      GLU  58  -3.585 -31.819   2.935
  472    HG3  GLU  58           HG3      GLU  58  -3.438 -30.157   2.365
  473    H    ALA  59           H        ALA  59   0.942 -29.541   3.273
  474    HA   ALA  59           HA       ALA  59   2.984 -31.546   3.310
  475    HB1  ALA  59           HB3      ALA  59   3.288 -28.532   3.655
  476    HB2  ALA  59           HB1      ALA  59   4.543 -29.695   3.193
  477    HB3  ALA  59           HB2      ALA  59   3.186 -29.386   2.097
  478    H    VAL  60           H        VAL  60   1.995 -29.069   5.754
  479    HA   VAL  60           HA       VAL  60   3.977 -29.712   7.660
  480    HB   VAL  60           HB       VAL  60   1.234 -28.414   7.907
  481   HG11  VAL  60          HG11      VAL  60   1.863 -29.281  10.148
  482   HG12  VAL  60          HG12      VAL  60   3.442 -28.486  10.011
  483   HG13  VAL  60          HG13      VAL  60   1.944 -27.527  10.087
  484   HG21  VAL  60          HG23      VAL  60   4.022 -27.172   8.014
  485   HG22  VAL  60          HG21      VAL  60   3.024 -27.188   6.566
  486   HG23  VAL  60          HG22      VAL  60   2.466 -26.315   7.995
  487    H    LYS  61           H        LYS  61   0.611 -30.996   7.281
  488    HA   LYS  61           HA       LYS  61   0.858 -32.605   9.635
  489    HB2  LYS  61           HB2      LYS  61  -1.265 -33.533   9.114
  490    HB3  LYS  61           HB3      LYS  61  -1.277 -31.819   8.769
  491    HG2  LYS  61           HG2      LYS  61  -2.386 -32.455   6.931
  492    HG3  LYS  61           HG3      LYS  61  -0.755 -32.580   6.303
  493    HD2  LYS  61           HD2      LYS  61  -1.979 -34.496   5.587
  494    HD3  LYS  61           HD3      LYS  61  -0.784 -35.047   6.770
  495    HE2  LYS  61           HE2      LYS  61  -2.552 -35.090   8.527
  496    HE3  LYS  61           HE3      LYS  61  -3.732 -34.492   7.354
  497    HZ1  LYS  61           HZ3      LYS  61  -3.412 -36.539   6.090
  498    HZ2  LYS  61           HZ1      LYS  61  -2.317 -37.092   7.174
  499    HZ3  LYS  61           HZ2      LYS  61  -3.871 -36.884   7.612
  500    H    ASN  62           H        ASN  62   2.124 -33.126   6.430
  501    HA   ASN  62           HA       ASN  62   2.490 -35.985   6.858
  502    HB2  ASN  62           HB2      ASN  62   2.349 -34.967   4.558
  503    HB3  ASN  62           HB3      ASN  62   3.898 -34.175   4.854
  504   HD21  ASN  62          HD22      ASN  62   5.870 -35.579   5.093
  505   HD22  ASN  62          HD21      ASN  62   5.810 -37.200   4.447
  506    H    GLY  63           H        GLY  63   4.377 -32.977   7.056
  507    HA2  GLY  63           HA2      GLY  63   6.273 -32.407   8.233
  508    HA3  GLY  63           HA3      GLY  63   6.229 -33.962   9.077
  509    H    SER  64           H        SER  64   8.704 -33.376   8.507
  510    HA   SER  64           HA       SER  64   9.584 -34.406   5.914
  511    HG   SER  64           HG       SER  64  11.921 -33.340   9.068
  512    HB2  SER  64           HB2      SER  64  11.810 -34.152   6.912
  513    HB3  SER  64           HB3      SER  64  10.847 -32.704   7.197
  514    HA   PRO  65           HA       PRO  65   9.734 -38.697   7.318
  515    HB2  PRO  65           HB2      PRO  65  12.163 -39.660   6.445
  516    HB3  PRO  65           HB3      PRO  65  10.758 -39.364   5.377
  517    HG2  PRO  65           HG2      PRO  65  13.116 -37.535   5.903
  518    HG3  PRO  65           HG3      PRO  65  12.409 -38.002   4.323
  519    HD2  PRO  65           HD2      PRO  65  11.767 -35.659   5.501
  520    HD3  PRO  65           HD3      PRO  65  10.518 -36.613   4.660
  521    H    PHE  66           H        PHE  66  12.233 -36.415   8.285
  522    HA   PHE  66           HA       PHE  66  13.383 -38.059  10.392
  523    HD1  PHE  66           HD1      PHE  66  16.143 -37.593  10.164
  524    HD2  PHE  66           HD2      PHE  66  14.001 -34.791   7.677
  525    HE1  PHE  66           HE1      PHE  66  17.811 -37.917   8.353
  526    HE2  PHE  66           HE2      PHE  66  15.663 -35.128   5.867
  527    HZ   PHE  66           HZ       PHE  66  17.573 -36.689   6.202
  528    HB2  PHE  66           HB2      PHE  66  13.416 -35.034  10.014
  529    HB3  PHE  66           HB3      PHE  66  14.431 -35.959  11.107
  530    H    SER  67           H        SER  67  10.748 -35.660  10.109
  531    HA   SER  67           HA       SER  67  10.160 -35.522  12.933
  532    HG   SER  67           HG       SER  67  10.279 -33.673  10.309
  533    HB2  SER  67           HB2      SER  67   8.403 -34.872  10.528
  534    HB3  SER  67           HB3      SER  67   8.221 -34.281  12.188
  535    H    LYS  68           H        LYS  68   8.053 -36.196  13.769
  536    HA   LYS  68           HA       LYS  68   6.436 -38.033  12.203
  537    HB2  LYS  68           HB2      LYS  68   7.874 -39.643  13.381
  538    HB3  LYS  68           HB3      LYS  68   7.476 -38.909  14.930
  539    HG2  LYS  68           HG2      LYS  68   6.255 -40.992  14.575
  540    HG3  LYS  68           HG3      LYS  68   5.145 -39.637  14.734
  541    HD2  LYS  68           HD2      LYS  68   4.791 -39.594  12.290
  542    HD3  LYS  68           HD3      LYS  68   5.994 -40.890  12.084
  543    HE2  LYS  68           HE2      LYS  68   4.586 -42.395  13.476
  544    HE3  LYS  68           HE3      LYS  68   3.402 -41.100  13.688
  545    HZ1  LYS  68           HZ3      LYS  68   3.014 -41.149  11.291
  546    HZ2  LYS  68           HZ1      LYS  68   4.114 -42.344  11.093
  547    HZ3  LYS  68           HZ2      LYS  68   2.748 -42.621  11.934
  548    H    VAL  69           H        VAL  69   5.327 -35.979  12.171
  549    HA   VAL  69           HA       VAL  69   4.091 -34.850  14.515
  550    HB   VAL  69           HB       VAL  69   4.180 -33.450  12.684
  551   HG11  VAL  69          HG11      VAL  69   3.370 -33.912  10.400
  552   HG12  VAL  69          HG12      VAL  69   4.749 -34.898  10.839
  553   HG13  VAL  69          HG13      VAL  69   3.116 -35.614  10.844
  554   HG21  VAL  69          HG23      VAL  69   1.347 -34.541  12.421
  555   HG22  VAL  69          HG21      VAL  69   1.904 -33.471  13.724
  556   HG23  VAL  69          HG22      VAL  69   1.916 -32.906  12.044
  557    H    THR  70           H        THR  70   2.240 -35.493  15.553
  558    HA   THR  70           HA       THR  70   0.781 -37.881  14.538
  559    HB   THR  70           HB       THR  70   0.526 -38.456  16.960
  560    HG1  THR  70           HG1      THR  70   1.660 -37.347  18.463
  561   HG21  THR  70          HG23      THR  70   3.443 -38.163  16.129
  562   HG22  THR  70          HG21      THR  70   2.773 -39.343  17.277
  563   HG23  THR  70          HG22      THR  70   2.362 -39.454  15.554
  564    H    ASP  71           H        ASP  71   0.517 -34.546  15.595
  565    HA   ASP  71           HA       ASP  71  -2.388 -34.683  15.184
  566    HB2  ASP  71           HB2      ASP  71  -2.150 -35.086  17.623
  567    HB3  ASP  71           HB3      ASP  71  -1.149 -33.638  17.765
  568    H    ILE  72           H        ILE  72  -3.275 -32.583  14.737
  569    HA   ILE  72           HA       ILE  72  -1.531 -30.287  14.565
  570    HB   ILE  72           HB       ILE  72  -0.940 -31.513  12.516
  571   HG12  ILE  72          HG12      ILE  72  -2.555 -28.997  11.934
  572   HG13  ILE  72          HG13      ILE  72  -0.899 -29.066  12.546
  573   HG21  ILE  72          HG21      ILE  72  -3.077 -32.771  12.184
  574   HG22  ILE  72          HG22      ILE  72  -3.844 -31.267  11.629
  575   HG23  ILE  72          HG23      ILE  72  -2.507 -31.990  10.721
  576   HD11  ILE  72          HD13      ILE  72  -0.772 -28.623  10.205
  577   HD12  ILE  72          HD11      ILE  72  -0.260 -30.306  10.433
  578   HD13  ILE  72          HD12      ILE  72  -1.893 -29.927   9.819
  579    H    SER  73           H        SER  73  -2.774 -28.358  14.347
  580    HA   SER  73           HA       SER  73  -5.714 -28.542  14.057
  581    HG   SER  73           HG       SER  73  -5.440 -28.514  17.659
  582    HB2  SER  73           HB2      SER  73  -4.311 -27.033  16.310
  583    HB3  SER  73           HB3      SER  73  -6.051 -27.072  15.992
  584    H    VAL  74           H        VAL  74  -6.604 -26.469  13.347
  585    HA   VAL  74           HA       VAL  74  -4.634 -24.488  12.357
  586    HB   VAL  74           HB       VAL  74  -6.845 -25.757  10.681
  587   HG11  VAL  74          HG11      VAL  74  -4.671 -23.742   9.951
  588   HG12  VAL  74          HG12      VAL  74  -5.737 -24.555   8.786
  589   HG13  VAL  74          HG13      VAL  74  -6.423 -23.454   9.974
  590   HG21  VAL  74          HG23      VAL  74  -5.020 -26.740   9.308
  591   HG22  VAL  74          HG21      VAL  74  -3.835 -26.192  10.511
  592   HG23  VAL  74          HG22      VAL  74  -5.062 -27.408  10.935
  593    H    THR  75           H        THR  75  -5.453 -22.422  12.211
  594    HA   THR  75           HA       THR  75  -8.283 -21.824  12.757
  595    HB   THR  75           HB       THR  75  -6.018 -20.334  14.153
  596    HG1  THR  75           HG1      THR  75  -6.033 -22.429  14.962
  597   HG21  THR  75          HG23      THR  75  -7.849 -19.627  15.709
  598   HG22  THR  75          HG21      THR  75  -8.092 -19.057  14.059
  599   HG23  THR  75          HG22      THR  75  -9.025 -20.449  14.660
  600    H    GLU  76           H        GLU  76  -8.614 -19.392  12.002
  601    HA   GLU  76           HA       GLU  76  -6.595 -18.556  10.022
  602    HB2  GLU  76           HB2      GLU  76  -8.230 -18.431   8.227
  603    HB3  GLU  76           HB3      GLU  76  -8.059 -20.094   8.786
  604    HG2  GLU  76           HG2      GLU  76 -10.170 -20.064   9.898
  605    HG3  GLU  76           HG3      GLU  76 -10.273 -18.301   9.825
  606    H    SER  77           H        SER  77  -7.192 -16.507   8.988
  607    HA   SER  77           HA       SER  77  -9.089 -14.747  10.392
  608    HG   SER  77           HG       SER  77  -5.596 -14.197  11.671
  609    HB2  SER  77           HB2      SER  77  -6.257 -13.838   9.743
  610    HB3  SER  77           HB3      SER  77  -7.486 -12.961  10.647
  611    H    ARG  78           H        ARG  78 -10.165 -13.580   8.781
  612    HA   ARG  78           HA       ARG  78  -9.426 -14.149   5.990
  613    HE   ARG  78           HE       ARG  78 -11.686 -17.407   6.237
  614    HB2  ARG  78           HB2      ARG  78 -11.858 -12.886   7.307
  615    HB3  ARG  78           HB3      ARG  78 -11.676 -12.958   5.556
  616    HG2  ARG  78           HG2      ARG  78 -11.489 -15.458   7.276
  617    HG3  ARG  78           HG3      ARG  78 -13.029 -14.847   6.675
  618    HD2  ARG  78           HD2      ARG  78 -12.570 -15.345   4.461
  619    HD3  ARG  78           HD3      ARG  78 -10.820 -15.224   4.670
  620   HH11  ARG  78          HH21      ARG  78 -11.535 -16.655   2.714
  621   HH12  ARG  78          HH22      ARG  78 -11.073 -18.311   2.343
  622   HH21  ARG  78          HH11      ARG  78 -11.023 -19.520   5.579
  623   HH22  ARG  78          HH12      ARG  78 -10.852 -19.831   3.845
  624    H    SER  79           H        SER  79  -7.871 -12.277   7.783
  625    HA   SER  79           HA       SER  79  -7.345 -10.248   5.751
  626    HG   SER  79           HG       SER  79  -9.362  -8.239   7.989
  627    HB2  SER  79           HB2      SER  79  -7.640  -9.568   8.716
  628    HB3  SER  79           HB3      SER  79  -7.148  -8.461   7.425
  629    H    LEU  80           H        LEU  80  -5.053  -9.426   6.154
  630    HA   LEU  80           HA       LEU  80  -3.370 -11.283   7.705
  631    HG   LEU  80           HG       LEU  80  -2.173  -9.849   4.459
  632    HB2  LEU  80           HB2      LEU  80  -2.078 -11.979   5.891
  633    HB3  LEU  80           HB3      LEU  80  -3.725 -12.311   5.431
  634   HD11  LEU  80          HD11      LEU  80  -0.931 -11.793   3.792
  635   HD12  LEU  80          HD12      LEU  80  -2.402 -12.611   3.217
  636   HD13  LEU  80          HD13      LEU  80  -1.780 -11.155   2.386
  637   HD21  LEU  80          HD23      LEU  80  -4.698 -11.230   3.439
  638   HD22  LEU  80          HD21      LEU  80  -4.579  -9.597   4.131
  639   HD23  LEU  80          HD22      LEU  80  -3.824  -9.936   2.582
  640    H    GLU  81           H        GLU  81  -1.090 -10.575   7.748
  641    HA   GLU  81           HA       GLU  81  -0.880  -7.658   7.998
  642    HB2  GLU  81           HB2      GLU  81   1.150  -9.905   8.398
  643    HB3  GLU  81           HB3      GLU  81   1.421  -8.211   8.785
  644    HG2  GLU  81           HG2      GLU  81  -0.641 -10.036  10.102
  645    HG3  GLU  81           HG3      GLU  81   0.897  -9.538  10.787
  646    H    GLY  82           H        GLY  82   0.292 -10.264   5.885
  647    HA2  GLY  82           HA2      GLY  82   1.101 -10.149   3.698
  648    HA3  GLY  82           HA3      GLY  82   1.081  -8.373   3.746
  649    H    HIS  83           H        HIS  83   2.479 -10.958   5.827
  650    HA   HIS  83           HA       HIS  83   4.551  -9.445   6.836
  651    HD1  HIS  83           HD1      HIS  83   6.918 -13.251   7.608
  652    HD2  HIS  83           HD2      HIS  83   5.214  -9.768   9.276
  653    HE1  HIS  83           HE1      HIS  83   8.461 -12.517   9.471
  654    HB2  HIS  83           HB2      HIS  83   3.635 -11.684   7.637
  655    HB3  HIS  83           HB3      HIS  83   4.669 -12.459   6.456
  656    H    HIS  84           H        HIS  84   6.845  -9.473   6.598
  657    HA   HIS  84           HA       HIS  84   7.736  -8.868   3.998
  658    HD1  HIS  84           HD1      HIS  84  10.383  -9.489   3.173
  659    HD2  HIS  84           HD2      HIS  84  11.390  -7.515   6.753
  660    HE1  HIS  84           HE1      HIS  84  12.793  -8.706   2.904
  661    HB2  HIS  84           HB2      HIS  84   8.635  -7.906   6.054
  662    HB3  HIS  84           HB3      HIS  84   9.204  -9.478   6.599
  663    H    ARG  85           H        ARG  85   8.102 -11.875   5.908
  664    HA   ARG  85           HA       ARG  85   9.341 -13.341   3.676
  665    HE   ARG  85           HE       ARG  85  12.329 -10.565   6.076
  666    HB2  ARG  85           HB2      ARG  85  11.402 -13.798   4.943
  667    HB3  ARG  85           HB3      ARG  85  11.222 -12.078   4.645
  668    HG2  ARG  85           HG2      ARG  85  10.382 -11.772   7.004
  669    HG3  ARG  85           HG3      ARG  85  10.594 -13.505   7.272
  670    HD2  ARG  85           HD2      ARG  85  12.478 -12.385   8.209
  671    HD3  ARG  85           HD3      ARG  85  13.028 -13.260   6.769
  672   HH11  ARG  85          HH21      ARG  85  14.872 -12.378   7.767
  673   HH12  ARG  85          HH22      ARG  85  16.092 -11.191   7.502
  674   HH21  ARG  85          HH11      ARG  85  13.940  -8.967   5.744
  675   HH22  ARG  85          HH12      ARG  85  15.555  -9.216   6.315
  676    H    PHE  86           H        PHE  86  10.170 -15.604   4.980
  677    HA   PHE  86           HA       PHE  86   7.944 -16.328   6.816
  678    HD1  PHE  86           HD2      PHE  86   9.443 -19.831   7.035
  679    HD2  PHE  86           HD1      PHE  86   5.750 -18.048   5.704
  680    HE1  PHE  86           HE2      PHE  86   8.167 -21.409   8.440
  681    HE2  PHE  86           HE1      PHE  86   4.482 -19.570   7.186
  682    HZ   PHE  86           HZ       PHE  86   5.687 -21.262   8.547
  683    HB2  PHE  86           HB2      PHE  86   7.838 -17.492   4.609
  684    HB3  PHE  86           HB3      PHE  86   9.356 -18.289   5.019
  685    H    SER  87           H        SER  87   8.980 -15.803   8.760
  686    HA   SER  87           HA       SER  87  11.819 -16.255   9.031
  687    HG   SER  87           HG       SER  87  10.412 -13.379  10.646
  688    HB2  SER  87           HB2      SER  87   9.911 -15.586  11.293
  689    HB3  SER  87           HB3      SER  87  11.624 -15.200  11.134
  690    H    ILE  88           H        ILE  88  12.851 -17.980   9.844
  691    HA   ILE  88           HA       ILE  88  11.512 -20.000  11.547
  692    HB   ILE  88           HB       ILE  88  14.380 -19.488  10.652
  693   HG12  ILE  88          HG12      ILE  88  12.595 -21.926  10.187
  694   HG13  ILE  88          HG13      ILE  88  12.629 -20.556   9.090
  695   HG21  ILE  88          HG21      ILE  88  13.409 -21.617  12.605
  696   HG22  ILE  88          HG22      ILE  88  15.014 -21.591  11.850
  697   HG23  ILE  88          HG23      ILE  88  14.542 -20.303  12.948
  698   HD11  ILE  88          HD13      ILE  88  14.975 -22.373   9.722
  699   HD12  ILE  88          HD11      ILE  88  14.086 -22.198   8.197
  700   HD13  ILE  88          HD12      ILE  88  15.080 -20.856   8.784
  701    H    VAL  89           H        VAL  89  10.950 -19.283  13.569
  702    HA   VAL  89           HA       VAL  89  12.441 -17.094  14.860
  703    HB   VAL  89           HB       VAL  89  10.144 -18.832  15.822
  704   HG11  VAL  89          HG11      VAL  89   9.843 -17.126  17.587
  705   HG12  VAL  89          HG12      VAL  89  11.427 -17.896  17.721
  706   HG13  VAL  89          HG13      VAL  89  11.290 -16.269  17.015
  707   HG21  VAL  89          HG23      VAL  89   8.729 -16.818  15.459
  708   HG22  VAL  89          HG21      VAL  89  10.121 -15.985  14.731
  709   HG23  VAL  89          HG22      VAL  89   9.423 -17.423  13.957
  710    H    TYR  90           H        TYR  90  14.127 -17.478  16.190
  711    HA   TYR  90           HA       TYR  90  15.184 -20.184  16.339
  712    HD1  TYR  90           HD2      TYR  90  17.173 -20.273  14.777
  713    HD2  TYR  90           HD1      TYR  90  16.403 -16.064  15.365
  714    HE1  TYR  90           HE2      TYR  90  17.655 -19.860  12.388
  715    HE2  TYR  90           HE1      TYR  90  16.885 -15.641  12.973
  716    HH   TYR  90           HH       TYR  90  17.804 -18.267  10.692
  717    HB2  TYR  90           HB2      TYR  90  16.359 -17.532  17.242
  718    HB3  TYR  90           HB3      TYR  90  17.216 -19.067  17.127
  719    H    SER  91           H        SER  91  12.891 -20.153  17.777
  720    HA   SER  91           HA       SER  91  12.898 -19.775  20.521
  721    HG   SER  91           HG       SER  91  10.538 -19.836  18.956
  722    HB2  SER  91           HB2      SER  91  11.865 -22.322  19.282
  723    HB3  SER  91           HB3      SER  91  11.137 -21.312  20.532
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -6.638 -13.647  -1.447
    2    H2   MET   1           H2       MET   1  -7.591 -14.501  -0.423
    3    H3   MET   1           H3       MET   1  -7.424 -12.892  -0.218
    4    HA   MET   1           HA       MET   1  -5.303 -14.897   0.126
    5    HB2  MET   1           HB2      MET   1  -4.641 -12.538  -0.754
    6    HB3  MET   1           HB3      MET   1  -5.101 -11.963   0.854
    7    HG2  MET   1           HG2      MET   1  -3.420 -13.563   1.816
    8    HG3  MET   1           HG3      MET   1  -2.937 -13.968   0.163
    9    HE1  MET   1           HE3      MET   1  -0.049 -11.768   1.813
   10    HE2  MET   1           HE1      MET   1  -1.198 -12.829   2.663
   11    HE3  MET   1           HE2      MET   1  -0.455 -13.364   1.137
   12    H    LEU   2           H        LEU   2  -4.881 -15.485   2.276
   13    HA   LEU   2           HA       LEU   2  -6.856 -14.673   4.369
   14    HG   LEU   2           HG       LEU   2  -7.736 -16.750   1.967
   15    HB2  LEU   2           HB2      LEU   2  -6.065 -17.517   3.638
   16    HB3  LEU   2           HB3      LEU   2  -7.149 -17.061   4.935
   17   HD11  LEU   2          HD11      LEU   2  -7.598 -19.102   2.706
   18   HD12  LEU   2          HD12      LEU   2  -8.734 -18.769   4.026
   19   HD13  LEU   2          HD13      LEU   2  -9.268 -18.647   2.333
   20   HD21  LEU   2          HD23      LEU   2 -10.060 -16.320   2.721
   21   HD22  LEU   2          HD21      LEU   2  -9.518 -16.345   4.415
   22   HD23  LEU   2          HD22      LEU   2  -8.948 -15.077   3.301
   23    H    GLN   3           H        GLN   3  -6.204 -15.849   6.453
   24    HA   GLN   3           HA       GLN   3  -3.287 -16.172   6.863
   25    HB2  GLN   3           HB2      GLN   3  -4.162 -13.962   7.764
   26    HB3  GLN   3           HB3      GLN   3  -5.327 -14.862   8.708
   27    HG2  GLN   3           HG2      GLN   3  -3.453 -15.923   9.983
   28    HG3  GLN   3           HG3      GLN   3  -2.307 -14.969   9.047
   29   HE21  GLN   3          HE22      GLN   3  -1.953 -12.761   9.671
   30   HE22  GLN   3          HE21      GLN   3  -2.833 -11.981  10.974
   31    H    TYR   4           H        TYR   4  -2.835 -17.920   8.352
   32    HA   TYR   4           HA       TYR   4  -4.988 -18.734  10.094
   33    HD1  TYR   4           HD2      TYR   4  -1.762 -21.081   9.364
   34    HD2  TYR   4           HD1      TYR   4  -5.040 -21.653   6.609
   35    HE1  TYR   4           HE2      TYR   4  -0.276 -22.329   7.871
   36    HE2  TYR   4           HE1      TYR   4  -3.583 -23.050   5.200
   37    HH   TYR   4           HH       TYR   4  -1.426 -23.844   4.837
   38    HB2  TYR   4           HB2      TYR   4  -4.641 -21.173   9.828
   39    HB3  TYR   4           HB3      TYR   4  -5.426 -20.389   8.485
   40    H    ARG   5           H        ARG   5  -4.236 -20.140  11.846
   41    HA   ARG   5           HA       ARG   5  -1.343 -19.901  12.472
   42    HE   ARG   5           HE       ARG   5  -0.106 -19.060  17.267
   43    HB2  ARG   5           HB2      ARG   5  -2.752 -18.302  13.892
   44    HB3  ARG   5           HB3      ARG   5  -3.622 -19.719  14.491
   45    HG2  ARG   5           HG2      ARG   5  -1.246 -20.595  15.230
   46    HG3  ARG   5           HG3      ARG   5  -0.719 -18.926  14.931
   47    HD2  ARG   5           HD2      ARG   5  -2.609 -18.195  16.499
   48    HD3  ARG   5           HD3      ARG   5  -2.864 -19.922  16.852
   49   HH11  ARG   5          HH21      ARG   5  -3.306 -19.094  18.840
   50   HH12  ARG   5          HH22      ARG   5  -2.653 -19.033  20.433
   51   HH21  ARG   5          HH11      ARG   5   0.728 -19.022  19.268
   52   HH22  ARG   5          HH12      ARG   5  -0.264 -18.955  20.711
   53    H    ILE   6           H        ILE   6  -0.545 -21.918  13.144
   54    HA   ILE   6           HA       ILE   6  -2.470 -24.147  13.445
   55    HB   ILE   6           HB       ILE   6  -0.201 -23.991  11.420
   56   HG12  ILE   6          HG12      ILE   6  -3.198 -24.418  11.237
   57   HG13  ILE   6          HG13      ILE   6  -2.299 -23.016  10.684
   58   HG21  ILE   6          HG21      ILE   6  -0.589 -26.344  10.869
   59   HG22  ILE   6          HG22      ILE   6  -0.085 -26.205  12.539
   60   HG23  ILE   6          HG23      ILE   6  -1.801 -26.478  12.160
   61   HD11  ILE   6          HD13      ILE   6  -1.148 -24.468   8.999
   62   HD12  ILE   6          HD11      ILE   6  -2.310 -25.761   9.418
   63   HD13  ILE   6          HD12      ILE   6  -2.890 -24.210   8.771
   64    H    ILE   7           H        ILE   7  -1.710 -25.786  14.743
   65    HA   ILE   7           HA       ILE   7   0.838 -25.336  16.205
   66    HB   ILE   7           HB       ILE   7  -1.864 -26.028  17.432
   67   HG12  ILE   7          HG12      ILE   7  -1.888 -23.631  16.812
   68   HG13  ILE   7          HG13      ILE   7  -1.941 -23.889  18.537
   69   HG21  ILE   7          HG21      ILE   7  -0.671 -25.718  19.608
   70   HG22  ILE   7          HG22      ILE   7  -0.057 -27.068  18.645
   71   HG23  ILE   7          HG23      ILE   7   0.859 -25.550  18.714
   72   HD11  ILE   7          HD13      ILE   7   0.610 -23.169  17.049
   73   HD12  ILE   7          HD11      ILE   7  -0.472 -21.995  17.815
   74   HD13  ILE   7          HD12      ILE   7   0.369 -23.203  18.807
   75    H    VAL   8           H        VAL   8   1.897 -27.330  16.591
   76    HA   VAL   8           HA       VAL   8   0.572 -29.790  15.537
   77    HB   VAL   8           HB       VAL   8   3.409 -29.009  14.811
   78   HG11  VAL   8          HG11      VAL   8   2.773 -31.359  14.503
   79   HG12  VAL   8          HG12      VAL   8   1.390 -30.868  13.499
   80   HG13  VAL   8          HG13      VAL   8   3.054 -30.579  12.944
   81   HG21  VAL   8          HG23      VAL   8   2.651 -28.270  12.576
   82   HG22  VAL   8          HG21      VAL   8   0.964 -28.343  13.125
   83   HG23  VAL   8          HG22      VAL   8   2.105 -27.175  13.837
   84    H    ASP   9           H        ASP   9   1.344 -31.737  16.519
   85    HA   ASP   9           HA       ASP   9   3.496 -31.529  18.543
   86    HB2  ASP   9           HB2      ASP   9   1.289 -31.156  19.692
   87    HB3  ASP   9           HB3      ASP   9   0.740 -32.691  19.042
   88    H    GLY  10           H        GLY  10   4.323 -33.654  19.141
   89    HA2  GLY  10           HA2      GLY  10   3.933 -36.152  18.613
   90    HA3  GLY  10           HA3      GLY  10   4.140 -35.636  16.933
   91    H    ARG  11           H        ARG  11   6.039 -36.909  16.738
   92    HA   ARG  11           HA       ARG  11   8.492 -36.038  18.159
   93    HE   ARG  11           HE       ARG  11  10.945 -38.857  14.226
   94    HB2  ARG  11           HB2      ARG  11   8.251 -38.428  17.467
   95    HB3  ARG  11           HB3      ARG  11   8.168 -37.920  15.776
   96    HG2  ARG  11           HG2      ARG  11  10.452 -36.913  15.983
   97    HG3  ARG  11           HG3      ARG  11  10.490 -37.380  17.687
   98    HD2  ARG  11           HD2      ARG  11  11.779 -38.971  16.458
   99    HD3  ARG  11           HD3      ARG  11  10.321 -39.781  17.013
  100   HH11  ARG  11          HH21      ARG  11   8.976 -40.981  16.307
  101   HH12  ARG  11          HH22      ARG  11   8.349 -41.890  14.985
  102   HH21  ARG  11          HH11      ARG  11  10.129 -39.990  12.547
  103   HH22  ARG  11          HH12      ARG  11   9.029 -41.322  12.757
  104    H    VAL  12           H        VAL  12   8.042 -33.795  17.662
  105    HA   VAL  12           HA       VAL  12   8.555 -33.024  14.829
  106    HB   VAL  12           HB       VAL  12   6.833 -31.314  15.041
  107   HG11  VAL  12          HG11      VAL  12   6.221 -33.545  14.150
  108   HG12  VAL  12          HG12      VAL  12   5.663 -34.025  15.760
  109   HG13  VAL  12          HG13      VAL  12   4.868 -32.693  14.915
  110   HG21  VAL  12          HG23      VAL  12   6.853 -30.892  17.472
  111   HG22  VAL  12          HG21      VAL  12   5.226 -31.288  16.910
  112   HG23  VAL  12          HG22      VAL  12   6.181 -32.498  17.779
  113    H    GLN  13           H        GLN  13  10.355 -33.123  17.306
  114    HA   GLN  13           HA       GLN  13  11.421 -30.391  16.979
  115    HB2  GLN  13           HB2      GLN  13  11.308 -31.736  19.712
  116    HB3  GLN  13           HB3      GLN  13  11.872 -30.115  19.301
  117    HG2  GLN  13           HG2      GLN  13   9.413 -29.709  18.530
  118    HG3  GLN  13           HG3      GLN  13   9.024 -31.146  19.465
  119   HE21  GLN  13          HE22      GLN  13   8.865 -27.937  19.684
  120   HE22  GLN  13          HE21      GLN  13   9.184 -27.665  21.393
  121    H    GLY  14           H        GLY  14  13.677 -30.380  16.972
  122    HA2  GLY  14           HA2      GLY  14  15.816 -31.187  16.985
  123    HA3  GLY  14           HA3      GLY  14  15.309 -32.587  17.953
  124    H    VAL  15           H        VAL  15  13.860 -31.574  14.849
  125    HA   VAL  15           HA       VAL  15  15.000 -33.973  13.481
  126    HB   VAL  15           HB       VAL  15  12.679 -34.391  12.554
  127   HG11  VAL  15          HG11      VAL  15  13.736 -35.851  14.239
  128   HG12  VAL  15          HG12      VAL  15  13.003 -34.883  15.535
  129   HG13  VAL  15          HG13      VAL  15  11.976 -35.783  14.399
  130   HG21  VAL  15          HG23      VAL  15  10.744 -33.717  13.941
  131   HG22  VAL  15          HG21      VAL  15  11.789 -32.665  14.905
  132   HG23  VAL  15          HG22      VAL  15  11.539 -32.330  13.181
  133    H    GLY  16           H        GLY  16  14.205 -30.619  13.378
  134    HA2  GLY  16           HA2      GLY  16  15.215 -29.239  11.741
  135    HA3  GLY  16           HA3      GLY  16  15.039 -30.513  10.518
  136    H    PHE  17           H        PHE  17  12.468 -29.744  12.920
  137    HA   PHE  17           HA       PHE  17  10.548 -29.785  10.763
  138    HD1  PHE  17           HD1      PHE  17   7.854 -27.947  11.874
  139    HD2  PHE  17           HD2      PHE  17   8.880 -32.055  12.652
  140    HE1  PHE  17           HE1      PHE  17   5.592 -28.655  11.123
  141    HE2  PHE  17           HE2      PHE  17   6.621 -32.762  11.893
  142    HZ   PHE  17           HZ       PHE  17   4.974 -31.063  11.125
  143    HB2  PHE  17           HB2      PHE  17  10.330 -30.336  13.368
  144    HB3  PHE  17           HB3      PHE  17   9.814 -28.662  13.445
  145    H    ARG  18           H        ARG  18  11.951 -27.116  12.759
  146    HA   ARG  18           HA       ARG  18  10.539 -24.990  11.518
  147    HE   ARG  18           HE       ARG  18  12.941 -25.894  15.212
  148    HB2  ARG  18           HB2      ARG  18  13.298 -25.250  12.756
  149    HB3  ARG  18           HB3      ARG  18  12.808 -23.728  12.008
  150    HG2  ARG  18           HG2      ARG  18  10.992 -23.401  13.476
  151    HG3  ARG  18           HG3      ARG  18  11.020 -25.063  14.066
  152    HD2  ARG  18           HD2      ARG  18  13.367 -23.172  14.493
  153    HD3  ARG  18           HD3      ARG  18  11.972 -23.212  15.586
  154   HH11  ARG  18          HH21      ARG  18  13.801 -22.851  16.874
  155   HH12  ARG  18          HH22      ARG  18  14.564 -23.644  18.205
  156   HH21  ARG  18          HH11      ARG  18  13.943 -26.932  16.940
  157   HH22  ARG  18          HH12      ARG  18  14.669 -26.017  18.241
  158    H    TYR  19           H        TYR  19  13.569 -26.592  10.357
  159    HA   TYR  19           HA       TYR  19  13.852 -24.807   8.134
  160    HD1  TYR  19           HD2      TYR  19  16.355 -24.242   7.590
  161    HD2  TYR  19           HD1      TYR  19  16.161 -27.056  10.859
  162    HE1  TYR  19           HE2      TYR  19  18.023 -22.904   8.829
  163    HE2  TYR  19           HE1      TYR  19  17.832 -25.724  12.107
  164    HH   TYR  19           HH       TYR  19  19.276 -22.705  10.787
  165    HB2  TYR  19           HB2      TYR  19  15.014 -27.542   8.789
  166    HB3  TYR  19           HB3      TYR  19  15.418 -26.641   7.345
  167    H    PHE  20           H        PHE  20  12.392 -28.086   8.474
  168    HA   PHE  20           HA       PHE  20  11.721 -28.467   5.760
  169    HD1  PHE  20           HD2      PHE  20  10.752 -31.053   5.024
  170    HD2  PHE  20           HD1      PHE  20   8.038 -29.403   7.946
  171    HE1  PHE  20           HE2      PHE  20   8.827 -32.043   3.808
  172    HE2  PHE  20           HE1      PHE  20   6.119 -30.355   6.698
  173    HZ   PHE  20           HZ       PHE  20   6.509 -31.697   4.644
  174    HB2  PHE  20           HB2      PHE  20  11.518 -30.268   7.350
  175    HB3  PHE  20           HB3      PHE  20  10.394 -29.360   8.347
  176    H    VAL  21           H        VAL  21   9.730 -26.958   8.383
  177    HA   VAL  21           HA       VAL  21   7.598 -26.241   6.655
  178    HB   VAL  21           HB       VAL  21   8.532 -25.147   9.335
  179   HG11  VAL  21          HG11      VAL  21   6.278 -24.235   9.622
  180   HG12  VAL  21          HG12      VAL  21   7.047 -23.483   8.228
  181   HG13  VAL  21          HG13      VAL  21   5.830 -24.763   7.992
  182   HG21  VAL  21          HG23      VAL  21   7.815 -27.549   9.351
  183   HG22  VAL  21          HG21      VAL  21   6.666 -26.532  10.218
  184   HG23  VAL  21          HG22      VAL  21   6.297 -27.101   8.576
  185    H    GLN  22           H        GLN  22  10.605 -24.434   7.531
  186    HA   GLN  22           HA       GLN  22   9.997 -21.992   6.212
  187    HB2  GLN  22           HB2      GLN  22  11.819 -22.260   7.758
  188    HB3  GLN  22           HB3      GLN  22  12.619 -23.411   6.689
  189    HG2  GLN  22           HG2      GLN  22  13.743 -21.346   6.425
  190    HG3  GLN  22           HG3      GLN  22  12.809 -21.638   4.960
  191   HE21  GLN  22          HE22      GLN  22  10.962 -20.310   4.492
  192   HE22  GLN  22          HE21      GLN  22  10.816 -18.733   5.278
  193    H    MET  23           H        MET  23  11.409 -25.050   4.896
  194    HA   MET  23           HA       MET  23  11.734 -23.828   2.267
  195    HB2  MET  23           HB2      MET  23  11.887 -26.720   3.241
  196    HB3  MET  23           HB3      MET  23  12.228 -26.216   1.579
  197    HG2  MET  23           HG2      MET  23  14.008 -24.711   2.370
  198    HG3  MET  23           HG3      MET  23  13.725 -25.211   4.034
  199    HE1  MET  23           HE3      MET  23  13.370 -28.354   3.962
  200    HE2  MET  23           HE1      MET  23  15.058 -28.867   4.152
  201    HE3  MET  23           HE2      MET  23  14.446 -27.482   5.080
  202    H    GLU  24           H        GLU  24   9.218 -25.951   3.779
  203    HA   GLU  24           HA       GLU  24   7.779 -26.285   1.312
  204    HB2  GLU  24           HB2      GLU  24   6.991 -26.573   4.242
  205    HB3  GLU  24           HB3      GLU  24   5.913 -26.952   2.906
  206    HG2  GLU  24           HG2      GLU  24   8.562 -28.312   3.529
  207    HG3  GLU  24           HG3      GLU  24   6.949 -28.980   3.719
  208    H    ALA  25           H        ALA  25   7.790 -23.723   3.779
  209    HA   ALA  25           HA       ALA  25   5.545 -22.287   2.663
  210    HB1  ALA  25           HB3      ALA  25   6.407 -21.795   4.921
  211    HB2  ALA  25           HB1      ALA  25   7.980 -21.334   4.249
  212    HB3  ALA  25           HB2      ALA  25   6.545 -20.367   3.883
  213    H    ASP  26           H        ASP  26   9.121 -22.180   2.208
  214    HA   ASP  26           HA       ASP  26   9.229 -19.994   0.464
  215    HB2  ASP  26           HB2      ASP  26  11.206 -21.065   1.598
  216    HB3  ASP  26           HB3      ASP  26  11.058 -22.431   0.510
  217    H    LYS  27           H        LYS  27   8.976 -23.491  -0.318
  218    HA   LYS  27           HA       LYS  27   9.327 -23.165  -3.066
  219    HB2  LYS  27           HB2      LYS  27   8.716 -25.424  -3.365
  220    HB3  LYS  27           HB3      LYS  27   9.522 -25.290  -1.820
  221    HG2  LYS  27           HG2      LYS  27   7.837 -26.671  -1.190
  222    HG3  LYS  27           HG3      LYS  27   7.025 -25.136  -0.885
  223    HD2  LYS  27           HD2      LYS  27   5.962 -25.318  -3.172
  224    HD3  LYS  27           HD3      LYS  27   6.730 -26.882  -3.381
  225    HE2  LYS  27           HE2      LYS  27   4.818 -26.230  -1.081
  226    HE3  LYS  27           HE3      LYS  27   4.290 -26.871  -2.643
  227    HZ1  LYS  27           HZ3      LYS  27   5.777 -28.802  -2.215
  228    HZ2  LYS  27           HZ1      LYS  27   6.015 -28.256  -0.675
  229    HZ3  LYS  27           HZ2      LYS  27   4.530 -28.676  -1.175
  230    H    ARG  28           H        ARG  28   6.340 -22.656  -1.251
  231    HA   ARG  28           HA       ARG  28   5.011 -22.038  -3.852
  232    HE   ARG  28           HE       ARG  28  -0.181 -24.055  -3.946
  233    HB2  ARG  28           HB2      ARG  28   4.203 -23.991  -2.202
  234    HB3  ARG  28           HB3      ARG  28   3.356 -22.659  -1.428
  235    HG2  ARG  28           HG2      ARG  28   2.127 -22.168  -3.463
  236    HG3  ARG  28           HG3      ARG  28   3.179 -23.225  -4.421
  237    HD2  ARG  28           HD2      ARG  28   2.380 -25.202  -3.138
  238    HD3  ARG  28           HD3      ARG  28   1.332 -24.160  -2.190
  239   HH11  ARG  28          HH11      ARG  28   2.824 -25.517  -5.193
  240   HH12  ARG  28          HH12      ARG  28   2.100 -26.030  -6.669
  241   HH21  ARG  28          HH21      ARG  28  -1.108 -24.727  -5.862
  242   HH22  ARG  28          HH22      ARG  28  -0.186 -25.560  -7.076
  243    H    LYS  29           H        LYS  29   6.738 -20.425  -1.874
  244    HA   LYS  29           HA       LYS  29   6.901 -18.325  -1.164
  245    HB2  LYS  29           HB2      LYS  29   5.139 -17.802  -3.592
  246    HB3  LYS  29           HB3      LYS  29   6.135 -16.621  -2.746
  247    HG2  LYS  29           HG2      LYS  29   7.570 -17.151  -4.444
  248    HG3  LYS  29           HG3      LYS  29   8.119 -18.271  -3.204
  249    HD2  LYS  29           HD2      LYS  29   6.554 -20.015  -4.379
  250    HD3  LYS  29           HD3      LYS  29   6.443 -18.839  -5.686
  251    HE2  LYS  29           HE2      LYS  29   8.872 -18.926  -6.005
  252    HE3  LYS  29           HE3      LYS  29   9.062 -19.919  -4.552
  253    HZ1  LYS  29           HZ3      LYS  29   7.643 -20.783  -7.006
  254    HZ2  LYS  29           HZ1      LYS  29   9.132 -21.263  -6.556
  255    HZ3  LYS  29           HZ2      LYS  29   7.840 -21.694  -5.650
  256    H    LEU  30           H        LEU  30   5.208 -19.633   0.421
  257    HA   LEU  30           HA       LEU  30   2.899 -18.042   1.216
  258    HG   LEU  30           HG       LEU  30   2.835 -21.434   2.927
  259    HB2  LEU  30           HB2      LEU  30   4.735 -20.049   2.580
  260    HB3  LEU  30           HB3      LEU  30   3.532 -19.181   3.490
  261   HD11  LEU  30          HD11      LEU  30   1.100 -19.363   1.500
  262   HD12  LEU  30          HD12      LEU  30   0.578 -20.915   2.175
  263   HD13  LEU  30          HD13      LEU  30   1.141 -19.626   3.255
  264   HD21  LEU  30          HD23      LEU  30   2.199 -22.151   0.729
  265   HD22  LEU  30          HD21      LEU  30   2.709 -20.609   0.022
  266   HD23  LEU  30          HD22      LEU  30   3.914 -21.709   0.744
  267    H    ALA  31           H        ALA  31   2.958 -16.767   3.289
  268    HA   ALA  31           HA       ALA  31   5.609 -15.719   4.051
  269    HB1  ALA  31           HB3      ALA  31   4.734 -13.459   4.224
  270    HB2  ALA  31           HB1      ALA  31   4.551 -14.021   2.558
  271    HB3  ALA  31           HB2      ALA  31   3.138 -13.983   3.643
  272    H    GLY  32           H        GLY  32   5.566 -14.960   6.393
  273    HA2  GLY  32           HA2      GLY  32   3.744 -15.102   8.345
  274    HA3  GLY  32           HA3      GLY  32   3.753 -16.785   7.827
  275    H    TRP  33           H        TRP  33   4.506 -17.479   9.894
  276    HA   TRP  33           HA       TRP  33   7.363 -17.497   9.933
  277    HD1  TRP  33           HD1      TRP  33   5.358 -18.535  13.450
  278    HE1  TRP  33           HE1      TRP  33   3.606 -17.581  15.023
  279    HE3  TRP  33           HE3      TRP  33   5.868 -13.561  12.308
  280    HZ2  TRP  33           HZ2      TRP  33   2.629 -14.984  15.812
  281    HZ3  TRP  33           HZ3      TRP  33   4.538 -11.867  13.528
  282    HH2  TRP  33           HH2      TRP  33   2.916 -12.561  15.283
  283    HB2  TRP  33           HB2      TRP  33   7.651 -16.949  12.295
  284    HB3  TRP  33           HB3      TRP  33   6.976 -15.603  11.415
  285    H    VAL  34           H        VAL  34   8.264 -19.102  11.449
  286    HA   VAL  34           HA       VAL  34   6.340 -21.054  12.554
  287    HB   VAL  34           HB       VAL  34   7.133 -22.084  10.494
  288   HG11  VAL  34          HG11      VAL  34   9.338 -20.917  10.242
  289   HG12  VAL  34          HG12      VAL  34   9.978 -21.903  11.568
  290   HG13  VAL  34          HG13      VAL  34   9.453 -22.673  10.060
  291   HG21  VAL  34          HG23      VAL  34   7.956 -24.195  11.378
  292   HG22  VAL  34          HG21      VAL  34   8.470 -23.428  12.879
  293   HG23  VAL  34          HG22      VAL  34   6.747 -23.528  12.479
  294    H    LYS  35           H        LYS  35   7.009 -21.881  14.559
  295    HA   LYS  35           HA       LYS  35   9.740 -21.411  15.460
  296    HB2  LYS  35           HB2      LYS  35   9.111 -20.411  17.597
  297    HB3  LYS  35           HB3      LYS  35   8.660 -19.382  16.244
  298    HG2  LYS  35           HG2      LYS  35   6.279 -20.201  16.461
  299    HG3  LYS  35           HG3      LYS  35   6.775 -21.108  17.910
  300    HD2  LYS  35           HD2      LYS  35   7.545 -18.986  18.956
  301    HD3  LYS  35           HD3      LYS  35   7.043 -18.097  17.500
  302    HE2  LYS  35           HE2      LYS  35   4.692 -18.911  17.887
  303    HE3  LYS  35           HE3      LYS  35   5.232 -19.647  19.403
  304    HZ1  LYS  35           HZ3      LYS  35   5.964 -17.365  20.073
  305    HZ2  LYS  35           HZ1      LYS  35   5.259 -16.764  18.738
  306    HZ3  LYS  35           HZ2      LYS  35   4.331 -17.502  19.867
  307    H    ASN  36           H        ASN  36  10.159 -22.737  17.456
  308    HA   ASN  36           HA       ASN  36   8.261 -25.007  17.703
  309    HB2  ASN  36           HB2      ASN  36  10.483 -25.343  16.244
  310    HB3  ASN  36           HB3      ASN  36  11.218 -25.565  17.835
  311   HD21  ASN  36          HD22      ASN  36  11.169 -27.701  15.898
  312   HD22  ASN  36          HD21      ASN  36   9.944 -28.858  16.382
  313    H    ARG  37           H        ARG  37   7.854 -25.515  19.828
  314    HA   ARG  37           HA       ARG  37   8.679 -23.232  21.522
  315    HE   ARG  37           HE       ARG  37   4.167 -24.514  21.933
  316    HB2  ARG  37           HB2      ARG  37   6.236 -25.028  21.426
  317    HB3  ARG  37           HB3      ARG  37   6.406 -23.668  22.529
  318    HG2  ARG  37           HG2      ARG  37   6.218 -22.074  20.805
  319    HG3  ARG  37           HG3      ARG  37   6.586 -23.237  19.526
  320    HD2  ARG  37           HD2      ARG  37   4.176 -22.437  19.765
  321    HD3  ARG  37           HD3      ARG  37   4.493 -24.145  19.468
  322   HH11  ARG  37          HH21      ARG  37   2.458 -21.731  20.344
  323   HH12  ARG  37          HH22      ARG  37   1.050 -21.964  21.307
  324   HH21  ARG  37          HH11      ARG  37   2.247 -24.777  23.098
  325   HH22  ARG  37          HH12      ARG  37   0.938 -23.655  22.919
  326    H    ASP  38           H        ASP  38   8.841 -23.429  23.816
  327    HA   ASP  38           HA       ASP  38  10.269 -25.706  24.747
  328    HB2  ASP  38           HB2      ASP  38  10.563 -23.458  25.682
  329    HB3  ASP  38           HB3      ASP  38   8.892 -23.450  26.255
  330    H    ASP  39           H        ASP  39   6.827 -24.968  24.740
  331    HA   ASP  39           HA       ASP  39   6.049 -26.938  26.661
  332    HB2  ASP  39           HB2      ASP  39   3.888 -26.362  26.220
  333    HB3  ASP  39           HB3      ASP  39   4.711 -24.876  25.761
  334    H    GLY  40           H        GLY  40   7.361 -27.319  23.563
  335    HA2  GLY  40           HA2      GLY  40   7.975 -29.475  22.851
  336    HA3  GLY  40           HA3      GLY  40   6.489 -30.155  23.503
  337    H    ARG  41           H        ARG  41   5.364 -27.413  21.982
  338    HA   ARG  41           HA       ARG  41   4.552 -29.075  19.661
  339    HE   ARG  41           HE       ARG  41  -0.315 -29.468  21.812
  340    HB2  ARG  41           HB2      ARG  41   3.393 -26.523  20.870
  341    HB3  ARG  41           HB3      ARG  41   2.735 -27.377  19.476
  342    HG2  ARG  41           HG2      ARG  41   2.418 -29.417  20.861
  343    HG3  ARG  41           HG3      ARG  41   3.024 -28.555  22.284
  344    HD2  ARG  41           HD2      ARG  41   1.152 -26.961  22.161
  345    HD3  ARG  41           HD3      ARG  41   0.592 -27.722  20.674
  346   HH11  ARG  41          HH11      ARG  41   1.604 -27.543  24.145
  347   HH12  ARG  41          HH12      ARG  41   0.988 -28.399  25.517
  348   HH21  ARG  41          HH21      ARG  41  -1.109 -30.564  23.652
  349   HH22  ARG  41          HH22      ARG  41  -0.581 -30.133  25.232
  350    H    VAL  42           H        VAL  42   4.372 -28.049  17.572
  351    HA   VAL  42           HA       VAL  42   6.368 -25.886  17.076
  352    HB   VAL  42           HB       VAL  42   4.763 -27.224  14.896
  353   HG11  VAL  42          HG11      VAL  42   6.737 -26.707  13.526
  354   HG12  VAL  42          HG12      VAL  42   6.165 -25.256  14.340
  355   HG13  VAL  42          HG13      VAL  42   7.598 -26.104  14.958
  356   HG21  VAL  42          HG23      VAL  42   6.569 -28.885  14.505
  357   HG22  VAL  42          HG21      VAL  42   7.288 -28.447  16.067
  358   HG23  VAL  42          HG22      VAL  42   5.669 -29.178  15.985
  359    H    GLU  43           H        GLU  43   5.549 -23.963  16.036
  360    HA   GLU  43           HA       GLU  43   2.615 -23.711  15.793
  361    HB2  GLU  43           HB2      GLU  43   2.988 -22.743  17.897
  362    HB3  GLU  43           HB3      GLU  43   4.468 -21.909  17.380
  363    HG2  GLU  43           HG2      GLU  43   3.210 -20.370  16.001
  364    HG3  GLU  43           HG3      GLU  43   1.712 -21.270  16.258
  365    H    ILE  44           H        ILE  44   2.004 -22.449  14.116
  366    HA   ILE  44           HA       ILE  44   4.030 -21.202  12.351
  367    HB   ILE  44           HB       ILE  44   1.826 -23.180  11.628
  368   HG12  ILE  44          HG12      ILE  44   4.821 -23.309  11.121
  369   HG13  ILE  44          HG13      ILE  44   3.958 -24.214  12.367
  370   HG21  ILE  44          HG21      ILE  44   3.513 -21.507   9.720
  371   HG22  ILE  44          HG22      ILE  44   2.416 -22.820   9.233
  372   HG23  ILE  44          HG23      ILE  44   1.758 -21.382   9.964
  373   HD11  ILE  44          HD13      ILE  44   3.705 -24.600   9.374
  374   HD12  ILE  44          HD11      ILE  44   4.300 -25.735  10.594
  375   HD13  ILE  44          HD12      ILE  44   2.580 -25.299  10.564
  376    H    LEU  45           H        LEU  45   3.191 -19.371  11.344
  377    HA   LEU  45           HA       LEU  45   0.292 -18.858  11.456
  378    HG   LEU  45           HG       LEU  45  -0.658 -16.632  12.182
  379    HB2  LEU  45           HB2      LEU  45   1.442 -17.472  13.234
  380    HB3  LEU  45           HB3      LEU  45   2.393 -16.700  11.967
  381   HD11  LEU  45          HD11      LEU  45   1.403 -14.508  12.903
  382   HD12  LEU  45          HD12      LEU  45  -0.365 -14.344  13.019
  383   HD13  LEU  45          HD13      LEU  45   0.486 -15.492  14.063
  384   HD21  LEU  45          HD23      LEU  45  -0.172 -16.130   9.893
  385   HD22  LEU  45          HD21      LEU  45  -0.346 -14.566  10.660
  386   HD23  LEU  45          HD22      LEU  45   1.279 -15.186  10.318
  387    H    ALA  46           H        ALA  46  -0.296 -18.493   9.264
  388    HA   ALA  46           HA       ALA  46   1.879 -17.758   7.391
  389    HB1  ALA  46           HB3      ALA  46   1.626 -20.295   7.484
  390    HB2  ALA  46           HB1      ALA  46   0.005 -20.052   6.793
  391    HB3  ALA  46           HB2      ALA  46   1.435 -19.539   5.885
  392    H    GLU  47           H        GLU  47   1.134 -16.880   5.445
  393    HA   GLU  47           HA       GLU  47  -1.700 -16.096   5.241
  394    HB2  GLU  47           HB2      GLU  47   0.745 -14.257   5.252
  395    HB3  GLU  47           HB3      GLU  47  -0.864 -13.767   4.682
  396    HG2  GLU  47           HG2      GLU  47  -1.841 -14.225   6.858
  397    HG3  GLU  47           HG3      GLU  47  -0.289 -14.791   7.490
  398    H    GLY  48           H        GLY  48  -2.357 -15.875   3.061
  399    HA2  GLY  48           HA2      GLY  48  -0.716 -15.625   0.791
  400    HA3  GLY  48           HA3      GLY  48  -0.698 -17.342   1.203
  401    HA   PRO  49           HA       PRO  49  -4.584 -16.746  -1.283
  402    HB2  PRO  49           HB2      PRO  49  -3.922 -18.283  -3.442
  403    HB3  PRO  49           HB3      PRO  49  -3.533 -16.538  -3.344
  404    HG2  PRO  49           HG2      PRO  49  -1.725 -18.888  -2.766
  405    HG3  PRO  49           HG3      PRO  49  -1.359 -17.422  -3.724
  406    HD2  PRO  49           HD2      PRO  49  -0.623 -17.719  -1.087
  407    HD3  PRO  49           HD3      PRO  49  -1.029 -16.129  -1.797
  408    H    GLU  50           H        GLU  50  -6.118 -18.478  -1.436
  409    HA   GLU  50           HA       GLU  50  -5.965 -20.224   0.721
  410    HB2  GLU  50           HB2      GLU  50  -8.032 -19.352  -0.318
  411    HB3  GLU  50           HB3      GLU  50  -7.773 -20.396  -1.723
  412    HG2  GLU  50           HG2      GLU  50  -7.965 -22.399  -0.255
  413    HG3  GLU  50           HG3      GLU  50  -8.179 -21.352   1.149
  414    H    ASN  51           H        ASN  51  -5.408 -21.016  -2.766
  415    HA   ASN  51           HA       ASN  51  -5.190 -23.818  -2.358
  416    HB2  ASN  51           HB2      ASN  51  -5.474 -22.917  -4.604
  417    HB3  ASN  51           HB3      ASN  51  -3.946 -22.031  -4.491
  418   HD21  ASN  51          HD22      ASN  51  -5.347 -25.338  -4.693
  419   HD22  ASN  51          HD21      ASN  51  -3.869 -26.099  -5.211
  420    H    ALA  52           H        ALA  52  -2.688 -21.283  -2.228
  421    HA   ALA  52           HA       ALA  52  -0.514 -23.161  -1.927
  422    HB1  ALA  52           HB3      ALA  52  -0.594 -20.218  -1.132
  423    HB2  ALA  52           HB1      ALA  52   0.850 -21.224  -1.358
  424    HB3  ALA  52           HB2      ALA  52  -0.165 -20.830  -2.755
  425    H    LEU  53           H        LEU  53  -2.566 -21.286   0.313
  426    HA   LEU  53           HA       LEU  53  -1.255 -22.063   2.722
  427    HG   LEU  53           HG       LEU  53  -2.051 -19.452   2.202
  428    HB2  LEU  53           HB2      LEU  53  -4.019 -21.071   1.983
  429    HB3  LEU  53           HB3      LEU  53  -3.702 -21.577   3.621
  430   HD11  LEU  53          HD11      LEU  53  -4.400 -19.190   4.130
  431   HD12  LEU  53          HD12      LEU  53  -3.380 -17.852   3.567
  432   HD13  LEU  53          HD13      LEU  53  -4.381 -18.734   2.408
  433   HD21  LEU  53          HD23      LEU  53  -1.272 -18.835   4.419
  434   HD22  LEU  53          HD21      LEU  53  -2.315 -20.040   5.189
  435   HD23  LEU  53          HD22      LEU  53  -0.936 -20.552   4.203
  436    H    GLN  54           H        GLN  54  -4.076 -23.568   1.005
  437    HA   GLN  54           HA       GLN  54  -4.438 -25.672   2.868
  438    HB2  GLN  54           HB2      GLN  54  -4.985 -25.424  -0.118
  439    HB3  GLN  54           HB3      GLN  54  -5.434 -26.850   0.819
  440    HG2  GLN  54           HG2      GLN  54  -6.838 -25.525   2.305
  441    HG3  GLN  54           HG3      GLN  54  -6.435 -24.044   1.450
  442   HE21  GLN  54          HE22      GLN  54  -8.943 -26.041   1.787
  443   HE22  GLN  54          HE21      GLN  54  -9.607 -26.046   0.173
  444    H    SER  55           H        SER  55  -2.413 -25.551  -0.123
  445    HA   SER  55           HA       SER  55  -1.431 -28.207   0.076
  446    HG   SER  55           HG       SER  55  -1.970 -25.865  -2.044
  447    HB2  SER  55           HB2      SER  55   0.007 -25.755  -1.041
  448    HB3  SER  55           HB3      SER  55   0.320 -27.449  -1.451
  449    H    PHE  56           H        PHE  56  -0.261 -25.147   1.571
  450    HA   PHE  56           HA       PHE  56   2.051 -26.320   2.719
  451    HD1  PHE  56           HD2      PHE  56   3.919 -25.466   3.581
  452    HD2  PHE  56           HD1      PHE  56   1.290 -22.462   5.233
  453    HE1  PHE  56           HE2      PHE  56   5.663 -24.811   5.209
  454    HE2  PHE  56           HE1      PHE  56   3.056 -21.819   6.838
  455    HZ   PHE  56           HZ       PHE  56   5.243 -22.946   6.800
  456    HB2  PHE  56           HB2      PHE  56   1.760 -23.928   2.310
  457    HB3  PHE  56           HB3      PHE  56   0.485 -23.844   3.504
  458    H    VAL  57           H        VAL  57  -1.378 -26.077   3.944
  459    HA   VAL  57           HA       VAL  57  -0.796 -27.178   6.500
  460    HB   VAL  57           HB       VAL  57  -3.325 -27.768   4.897
  461   HG11  VAL  57          HG11      VAL  57  -3.017 -29.232   6.863
  462   HG12  VAL  57          HG12      VAL  57  -2.755 -27.811   7.895
  463   HG13  VAL  57          HG13      VAL  57  -4.335 -28.096   7.134
  464   HG21  VAL  57          HG23      VAL  57  -2.696 -25.442   6.743
  465   HG22  VAL  57          HG21      VAL  57  -3.239 -25.386   5.052
  466   HG23  VAL  57          HG22      VAL  57  -4.347 -25.924   6.296
  467    H    GLU  58           H        GLU  58  -1.590 -28.776   3.350
  468    HA   GLU  58           HA       GLU  58  -1.568 -31.413   4.284
  469    HB2  GLU  58           HB2      GLU  58  -0.761 -30.342   1.554
  470    HB3  GLU  58           HB3      GLU  58  -1.021 -32.042   1.908
  471    HG2  GLU  58           HG2      GLU  58  -3.169 -29.908   2.263
  472    HG3  GLU  58           HG3      GLU  58  -2.940 -30.840   0.797
  473    H    ALA  59           H        ALA  59   1.142 -29.437   3.140
  474    HA   ALA  59           HA       ALA  59   3.164 -31.438   3.362
  475    HB1  ALA  59           HB3      ALA  59   4.739 -29.565   3.290
  476    HB2  ALA  59           HB1      ALA  59   3.451 -29.328   2.095
  477    HB3  ALA  59           HB2      ALA  59   3.434 -28.408   3.619
  478    H    VAL  60           H        VAL  60   2.028 -28.941   5.710
  479    HA   VAL  60           HA       VAL  60   3.908 -29.563   7.752
  480    HB   VAL  60           HB       VAL  60   1.197 -28.194   7.731
  481   HG11  VAL  60          HG11      VAL  60   1.669 -27.324   9.978
  482   HG12  VAL  60          HG12      VAL  60   1.484 -29.074  10.018
  483   HG13  VAL  60          HG13      VAL  60   3.110 -28.364  10.097
  484   HG21  VAL  60          HG23      VAL  60   3.989 -27.061   8.209
  485   HG22  VAL  60          HG21      VAL  60   3.232 -27.097   6.618
  486   HG23  VAL  60          HG22      VAL  60   2.483 -26.165   7.913
  487    H    LYS  61           H        LYS  61   0.680 -31.039   7.002
  488    HA   LYS  61           HA       LYS  61   0.560 -32.533   9.411
  489    HB2  LYS  61           HB2      LYS  61  -0.418 -33.828   6.873
  490    HB3  LYS  61           HB3      LYS  61  -1.079 -33.888   8.509
  491    HG2  LYS  61           HG2      LYS  61  -1.682 -31.386   8.159
  492    HG3  LYS  61           HG3      LYS  61  -1.300 -31.703   6.456
  493    HD2  LYS  61           HD2      LYS  61  -3.500 -33.017   8.068
  494    HD3  LYS  61           HD3      LYS  61  -3.660 -31.842   6.754
  495    HE2  LYS  61           HE2      LYS  61  -2.319 -33.644   5.350
  496    HE3  LYS  61           HE3      LYS  61  -2.837 -34.759   6.622
  497    HZ1  LYS  61           HZ3      LYS  61  -4.530 -33.149   4.813
  498    HZ2  LYS  61           HZ1      LYS  61  -4.424 -34.780   4.856
  499    HZ3  LYS  61           HZ2      LYS  61  -5.156 -34.000   6.092
  500    H    ASN  62           H        ASN  62   2.332 -33.191   6.376
  501    HA   ASN  62           HA       ASN  62   3.076 -35.867   7.099
  502    HB2  ASN  62           HB2      ASN  62   3.102 -34.923   4.750
  503    HB3  ASN  62           HB3      ASN  62   4.542 -33.998   5.188
  504   HD21  ASN  62          HD22      ASN  62   6.572 -35.243   5.714
  505   HD22  ASN  62          HD21      ASN  62   6.710 -36.879   5.119
  506    H    GLY  63           H        GLY  63   4.640 -32.684   7.338
  507    HA2  GLY  63           HA2      GLY  63   6.350 -31.906   8.701
  508    HA3  GLY  63           HA3      GLY  63   6.323 -33.429   9.598
  509    H    SER  64           H        SER  64   8.790 -32.574   9.230
  510    HA   SER  64           HA       SER  64  10.131 -33.168   6.882
  511    HG   SER  64           HG       SER  64  11.494 -31.727  10.164
  512    HB2  SER  64           HB2      SER  64  11.609 -33.831   9.350
  513    HB3  SER  64           HB3      SER  64  11.961 -32.632   8.105
  514    HA   PRO  65           HA       PRO  65  10.290 -37.531   6.342
  515    HB2  PRO  65           HB2      PRO  65  13.311 -37.377   6.426
  516    HB3  PRO  65           HB3      PRO  65  12.260 -38.216   5.243
  517    HG2  PRO  65           HG2      PRO  65  13.357 -35.816   4.631
  518    HG3  PRO  65           HG3      PRO  65  11.644 -36.152   4.214
  519    HD2  PRO  65           HD2      PRO  65  12.734 -34.562   6.542
  520    HD3  PRO  65           HD3      PRO  65  11.342 -34.211   5.472
  521    H    PHE  66           H        PHE  66  12.568 -36.376   8.824
  522    HA   PHE  66           HA       PHE  66  12.734 -38.918  10.215
  523    HD1  PHE  66           HD1      PHE  66  15.346 -39.278  10.197
  524    HD2  PHE  66           HD2      PHE  66  14.829 -35.043   9.533
  525    HE1  PHE  66           HE1      PHE  66  17.269 -39.283   8.626
  526    HE2  PHE  66           HE2      PHE  66  16.747 -35.058   7.963
  527    HZ   PHE  66           HZ       PHE  66  17.971 -37.176   7.504
  528    HB2  PHE  66           HB2      PHE  66  13.503 -36.134  11.168
  529    HB3  PHE  66           HB3      PHE  66  14.048 -37.662  11.842
  530    H    SER  67           H        SER  67  10.475 -36.245  10.301
  531    HA   SER  67           HA       SER  67   9.834 -36.371  13.089
  532    HG   SER  67           HG       SER  67   9.854 -33.373  10.984
  533    HB2  SER  67           HB2      SER  67   8.349 -35.031  10.794
  534    HB3  SER  67           HB3      SER  67   8.356 -34.557  12.504
  535    H    LYS  68           H        LYS  68   7.539 -36.581  13.775
  536    HA   LYS  68           HA       LYS  68   5.689 -37.980  12.011
  537    HB2  LYS  68           HB2      LYS  68   6.808 -39.896  13.144
  538    HB3  LYS  68           HB3      LYS  68   6.443 -39.184  14.715
  539    HG2  LYS  68           HG2      LYS  68   4.841 -40.904  14.332
  540    HG3  LYS  68           HG3      LYS  68   3.984 -39.378  14.175
  541    HD2  LYS  68           HD2      LYS  68   4.247 -39.617  11.620
  542    HD3  LYS  68           HD3      LYS  68   4.968 -41.197  11.935
  543    HE2  LYS  68           HE2      LYS  68   2.765 -41.776  11.516
  544    HE3  LYS  68           HE3      LYS  68   2.793 -41.705  13.279
  545    HZ1  LYS  68           HZ3      LYS  68   1.722 -39.657  11.424
  546    HZ2  LYS  68           HZ1      LYS  68   0.875 -40.554  12.483
  547    HZ3  LYS  68           HZ2      LYS  68   1.880 -39.375  13.024
  548    H    VAL  69           H        VAL  69   4.228 -36.333  12.074
  549    HA   VAL  69           HA       VAL  69   3.483 -34.884  14.481
  550    HB   VAL  69           HB       VAL  69   2.077 -35.312  11.801
  551   HG11  VAL  69          HG11      VAL  69   1.482 -33.333  14.037
  552   HG12  VAL  69          HG12      VAL  69   0.805 -33.233  12.395
  553   HG13  VAL  69          HG13      VAL  69   0.413 -34.609  13.423
  554   HG21  VAL  69          HG23      VAL  69   4.210 -34.147  11.471
  555   HG22  VAL  69          HG21      VAL  69   2.886 -33.002  11.291
  556   HG23  VAL  69          HG22      VAL  69   3.831 -33.019  12.791
  557    H    THR  70           H        THR  70   1.864 -35.474  15.951
  558    HA   THR  70           HA       THR  70   0.258 -37.917  15.361
  559    HB   THR  70           HB       THR  70   0.384 -38.444  17.764
  560    HG1  THR  70           HG1      THR  70   0.814 -36.553  18.761
  561   HG21  THR  70          HG23      THR  70   2.083 -39.411  16.197
  562   HG22  THR  70          HG21      THR  70   3.175 -38.062  16.590
  563   HG23  THR  70          HG22      THR  70   2.692 -39.216  17.850
  564    H    ASP  71           H        ASP  71   0.244 -34.525  16.260
  565    HA   ASP  71           HA       ASP  71  -2.671 -34.554  16.088
  566    HB2  ASP  71           HB2      ASP  71  -2.315 -34.845  18.526
  567    HB3  ASP  71           HB3      ASP  71  -1.232 -33.450  18.539
  568    H    ILE  72           H        ILE  72  -3.472 -32.431  15.560
  569    HA   ILE  72           HA       ILE  72  -1.639 -30.240  15.154
  570    HB   ILE  72           HB       ILE  72  -1.080 -31.557  13.210
  571   HG12  ILE  72          HG12      ILE  72  -2.862 -29.266  12.300
  572   HG13  ILE  72          HG13      ILE  72  -1.268 -29.072  13.031
  573   HG21  ILE  72          HG21      ILE  72  -3.129 -32.962  13.017
  574   HG22  ILE  72          HG22      ILE  72  -4.007 -31.560  12.370
  575   HG23  ILE  72          HG23      ILE  72  -2.642 -32.267  11.481
  576   HD11  ILE  72          HD13      ILE  72  -1.875 -30.447  10.383
  577   HD12  ILE  72          HD11      ILE  72  -1.035 -28.912  10.638
  578   HD13  ILE  72          HD12      ILE  72  -0.277 -30.428  11.167
  579    H    SER  73           H        SER  73  -2.802 -28.286  14.926
  580    HA   SER  73           HA       SER  73  -5.772 -28.370  14.901
  581    HG   SER  73           HG       SER  73  -5.770 -29.159  17.340
  582    HB2  SER  73           HB2      SER  73  -4.081 -26.895  16.967
  583    HB3  SER  73           HB3      SER  73  -5.847 -26.922  16.874
  584    H    VAL  74           H        VAL  74  -6.691 -26.297  14.295
  585    HA   VAL  74           HA       VAL  74  -4.846 -24.397  12.958
  586    HB   VAL  74           HB       VAL  74  -7.233 -25.797  11.662
  587   HG11  VAL  74          HG11      VAL  74  -6.937 -23.583  10.716
  588   HG12  VAL  74          HG12      VAL  74  -5.203 -23.853  10.480
  589   HG13  VAL  74          HG13      VAL  74  -6.393 -24.778   9.545
  590   HG21  VAL  74          HG23      VAL  74  -5.570 -26.889  10.137
  591   HG22  VAL  74          HG21      VAL  74  -4.274 -26.352  11.223
  592   HG23  VAL  74          HG22      VAL  74  -5.519 -27.476  11.794
  593    H    THR  75           H        THR  75  -5.675 -22.303  12.880
  594    HA   THR  75           HA       THR  75  -8.556 -21.850  13.230
  595    HB   THR  75           HB       THR  75  -6.627 -19.967  14.593
  596    HG1  THR  75           HG1      THR  75  -6.264 -21.982  15.570
  597   HG21  THR  75          HG23      THR  75  -9.552 -20.655  15.107
  598   HG22  THR  75          HG21      THR  75  -8.597 -19.456  16.010
  599   HG23  THR  75          HG22      THR  75  -8.934 -19.200  14.295
  600    H    GLU  76           H        GLU  76  -9.121 -19.788  12.045
  601    HA   GLU  76           HA       GLU  76  -7.001 -18.802  10.247
  602    HB2  GLU  76           HB2      GLU  76  -8.159 -19.431   8.243
  603    HB3  GLU  76           HB3      GLU  76  -7.858 -20.872   9.212
  604    HG2  GLU  76           HG2      GLU  76 -10.238 -20.753  10.042
  605    HG3  GLU  76           HG3      GLU  76 -10.503 -19.371   8.977
  606    H    SER  77           H        SER  77  -7.690 -17.055   8.851
  607    HA   SER  77           HA       SER  77 -10.019 -15.456   9.708
  608    HG   SER  77           HG       SER  77  -7.521 -14.244  12.048
  609    HB2  SER  77           HB2      SER  77  -7.122 -14.473   9.823
  610    HB3  SER  77           HB3      SER  77  -8.565 -13.496  10.124
  611    H    ARG  78           H        ARG  78 -10.618 -13.954   8.067
  612    HA   ARG  78           HA       ARG  78  -9.327 -14.208   5.452
  613    HE   ARG  78           HE       ARG  78 -10.916 -10.395   3.934
  614    HB2  ARG  78           HB2      ARG  78 -11.857 -13.462   6.182
  615    HB3  ARG  78           HB3      ARG  78 -11.118 -11.870   6.037
  616    HG2  ARG  78           HG2      ARG  78 -11.324 -14.020   3.905
  617    HG3  ARG  78           HG3      ARG  78 -12.224 -12.509   3.966
  618    HD2  ARG  78           HD2      ARG  78  -9.225 -12.779   3.615
  619    HD3  ARG  78           HD3      ARG  78 -10.377 -12.462   2.316
  620   HH11  ARG  78          HH21      ARG  78  -7.770 -11.656   2.853
  621   HH12  ARG  78          HH22      ARG  78  -7.026 -10.094   2.763
  622   HH21  ARG  78          HH12      ARG  78  -9.882  -8.342   3.935
  623   HH22  ARG  78          HH11      ARG  78  -8.243  -8.181   3.438
  624    H    SER  79           H        SER  79  -9.540 -11.741   8.073
  625    HA   SER  79           HA       SER  79  -7.796  -9.835   7.071
  626    HG   SER  79           HG       SER  79  -9.959  -9.227   9.913
  627    HB2  SER  79           HB2      SER  79  -8.142 -10.649   9.986
  628    HB3  SER  79           HB3      SER  79  -7.742  -9.042   9.351
  629    H    LEU  80           H        LEU  80  -5.607  -9.455   7.392
  630    HA   LEU  80           HA       LEU  80  -3.832 -11.541   8.414
  631    HG   LEU  80           HG       LEU  80  -4.756  -9.962   5.129
  632    HB2  LEU  80           HB2      LEU  80  -2.701 -11.879   6.281
  633    HB3  LEU  80           HB3      LEU  80  -4.376 -12.362   6.219
  634   HD11  LEU  80          HD11      LEU  80  -1.814 -10.521   4.510
  635   HD12  LEU  80          HD12      LEU  80  -2.842  -9.364   3.639
  636   HD13  LEU  80          HD13      LEU  80  -2.468  -9.085   5.333
  637   HD21  LEU  80          HD23      LEU  80  -4.393 -11.028   2.924
  638   HD22  LEU  80          HD21      LEU  80  -3.495 -12.344   3.725
  639   HD23  LEU  80          HD22      LEU  80  -5.223 -12.101   4.063
  640    H    GLU  81           H        GLU  81  -1.566 -10.778   8.496
  641    HA   GLU  81           HA       GLU  81  -1.573  -7.947   9.226
  642    HB2  GLU  81           HB2      GLU  81   0.793  -9.845   9.297
  643    HB3  GLU  81           HB3      GLU  81   0.565  -8.357  10.197
  644    HG2  GLU  81           HG2      GLU  81  -0.642 -11.075  10.677
  645    HG3  GLU  81           HG3      GLU  81   0.283 -10.076  11.771
  646    H    GLY  82           H        GLY  82  -0.200 -10.009   6.678
  647    HA2  GLY  82           HA2      GLY  82   0.271  -9.189   4.497
  648    HA3  GLY  82           HA3      GLY  82   0.598  -7.572   5.140
  649    H    HIS  83           H        HIS  83   1.776 -10.832   6.190
  650    HA   HIS  83           HA       HIS  83   4.443 -10.014   6.708
  651    HD1  HIS  83           HD1      HIS  83   1.421 -11.940   8.100
  652    HD2  HIS  83           HD2      HIS  83   5.490 -12.576   9.000
  653    HE1  HIS  83           HE1      HIS  83   1.554 -12.301  10.616
  654    HB2  HIS  83           HB2      HIS  83   3.213 -12.715   6.029
  655    HB3  HIS  83           HB3      HIS  83   4.904 -12.496   6.469
  656    H    HIS  84           H        HIS  84   6.253  -9.849   5.421
  657    HA   HIS  84           HA       HIS  84   5.780  -9.729   2.520
  658    HD1  HIS  84           HD1      HIS  84   4.796  -7.755   4.258
  659    HD2  HIS  84           HD2      HIS  84   8.448  -6.088   2.954
  660    HE1  HIS  84           HE1      HIS  84   4.462  -5.251   4.217
  661    HB2  HIS  84           HB2      HIS  84   8.128  -8.925   4.280
  662    HB3  HIS  84           HB3      HIS  84   8.086  -8.739   2.534
  663    H    ARG  85           H        ARG  85   7.229 -11.987   4.757
  664    HA   ARG  85           HA       ARG  85   7.936 -13.811   2.616
  665    HE   ARG  85           HE       ARG  85  11.411 -14.678   6.025
  666    HB2  ARG  85           HB2      ARG  85  10.237 -14.206   3.415
  667    HB3  ARG  85           HB3      ARG  85  10.059 -12.605   2.727
  668    HG2  ARG  85           HG2      ARG  85  10.200 -11.517   4.817
  669    HG3  ARG  85           HG3      ARG  85   9.841 -12.978   5.741
  670    HD2  ARG  85           HD2      ARG  85  12.357 -12.637   4.067
  671    HD3  ARG  85           HD3      ARG  85  12.260 -12.242   5.792
  672   HH11  ARG  85          HH21      ARG  85  14.191 -13.561   4.127
  673   HH12  ARG  85          HH22      ARG  85  14.970 -15.099   4.107
  674   HH21  ARG  85          HH11      ARG  85  12.284 -16.743   5.773
  675   HH22  ARG  85          HH12      ARG  85  13.902 -16.953   5.173
  676    H    PHE  86           H        PHE  86   8.955 -15.888   3.921
  677    HA   PHE  86           HA       PHE  86   7.301 -16.228   6.372
  678    HD1  PHE  86           HD1      PHE  86   8.968 -19.726   6.623
  679    HD2  PHE  86           HD2      PHE  86   4.954 -18.295   5.962
  680    HE1  PHE  86           HE1      PHE  86   8.116 -21.308   8.310
  681    HE2  PHE  86           HE2      PHE  86   4.126 -19.799   7.737
  682    HZ   PHE  86           HZ       PHE  86   5.693 -21.334   8.895
  683    HB2  PHE  86           HB2      PHE  86   6.726 -17.720   4.425
  684    HB3  PHE  86           HB3      PHE  86   8.336 -18.414   4.550
  685    H    SER  87           H        SER  87   8.466 -16.614   8.261
  686    HA   SER  87           HA       SER  87  11.423 -17.044   7.952
  687    HG   SER  87           HG       SER  87  10.856 -13.536   8.315
  688    HB2  SER  87           HB2      SER  87   9.994 -15.065   9.754
  689    HB3  SER  87           HB3      SER  87  11.747 -15.266   9.570
  690    H    ILE  88           H        ILE  88  12.489 -18.223   9.482
  691    HA   ILE  88           HA       ILE  88  10.985 -19.628  11.574
  692    HB   ILE  88           HB       ILE  88  13.961 -19.406  10.952
  693   HG12  ILE  88          HG12      ILE  88  12.231 -21.890  10.614
  694   HG13  ILE  88          HG13      ILE  88  12.288 -20.685   9.346
  695   HG21  ILE  88          HG21      ILE  88  13.685 -19.910  13.338
  696   HG22  ILE  88          HG22      ILE  88  12.513 -21.189  12.969
  697   HG23  ILE  88          HG23      ILE  88  14.221 -21.364  12.507
  698   HD11  ILE  88          HD13      ILE  88  14.699 -20.920   9.106
  699   HD12  ILE  88          HD11      ILE  88  14.735 -22.140  10.410
  700   HD13  ILE  88          HD12      ILE  88  13.878 -22.470   8.894
  701    H    VAL  89           H        VAL  89  10.860 -18.964  13.716
  702    HA   VAL  89           HA       VAL  89  12.484 -16.712  14.664
  703    HB   VAL  89           HB       VAL  89  10.350 -15.838  13.632
  704   HG11  VAL  89          HG11      VAL  89   8.947 -17.047  16.043
  705   HG12  VAL  89          HG12      VAL  89   8.243 -16.000  14.798
  706   HG13  VAL  89          HG13      VAL  89   8.787 -17.625  14.369
  707   HG21  VAL  89          HG23      VAL  89  11.653 -14.561  15.313
  708   HG22  VAL  89          HG21      VAL  89   9.925 -14.188  15.294
  709   HG23  VAL  89          HG22      VAL  89  10.581 -15.195  16.589
  710    H    TYR  90           H        TYR  90  11.988 -16.504  17.167
  711    HA   TYR  90           HA       TYR  90  12.023 -19.274  18.274
  712    HD1  TYR  90           HD1      TYR  90  14.680 -20.653  18.108
  713    HD2  TYR  90           HD2      TYR  90  14.716 -16.718  16.340
  714    HE1  TYR  90           HE1      TYR  90  15.966 -21.537  16.178
  715    HE2  TYR  90           HE2      TYR  90  15.975 -17.595  14.397
  716    HH   TYR  90           HH       TYR  90  16.969 -21.041  14.134
  717    HB2  TYR  90           HB2      TYR  90  14.057 -17.051  18.694
  718    HB3  TYR  90           HB3      TYR  90  14.107 -18.647  19.423
  719    H    SER  91           H        SER  91  10.162 -16.685  18.519
  720    HA   SER  91           HA       SER  91   9.836 -16.825  21.448
  721    HG   SER  91           HG       SER  91  11.882 -13.858  21.192
  722    HB2  SER  91           HB2      SER  91  10.007 -14.211  19.881
  723    HB3  SER  91           HB3      SER  91   9.670 -14.392  21.607
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -6.548 -13.007  -0.519
    2    H2   MET   1           H2       MET   1  -6.045 -11.595   0.119
    3    H3   MET   1           H3       MET   1  -5.211 -12.277  -1.122
    4    HA   MET   1           HA       MET   1  -4.608 -14.159   0.259
    5    HB2  MET   1           HB2      MET   1  -3.870 -11.405   1.336
    6    HB3  MET   1           HB3      MET   1  -3.204 -12.898   2.000
    7    HG2  MET   1           HG2      MET   1  -2.212 -13.500  -0.135
    8    HG3  MET   1           HG3      MET   1  -2.942 -12.096  -0.909
    9    HE1  MET   1           HE3      MET   1  -1.076 -12.284   2.677
   10    HE2  MET   1           HE1      MET   1  -0.150 -13.358   1.600
   11    HE3  MET   1           HE2      MET   1   0.556 -11.830   2.157
   12    H    LEU   2           H        LEU   2  -4.419 -15.009   2.458
   13    HA   LEU   2           HA       LEU   2  -6.576 -14.328   4.367
   14    HG   LEU   2           HG       LEU   2  -6.994 -17.104   5.539
   15    HB2  LEU   2           HB2      LEU   2  -7.244 -16.138   2.659
   16    HB3  LEU   2           HB3      LEU   2  -5.880 -17.079   3.233
   17   HD11  LEU   2          HD11      LEU   2  -9.378 -16.056   3.939
   18   HD12  LEU   2          HD12      LEU   2  -9.386 -16.573   5.644
   19   HD13  LEU   2          HD13      LEU   2  -8.492 -15.128   5.158
   20   HD21  LEU   2          HD23      LEU   2  -8.532 -18.297   3.197
   21   HD22  LEU   2          HD21      LEU   2  -7.111 -19.008   3.988
   22   HD23  LEU   2          HD22      LEU   2  -8.627 -18.826   4.890
   23    H    GLN   3           H        GLN   3  -6.015 -15.408   6.525
   24    HA   GLN   3           HA       GLN   3  -3.100 -15.988   6.832
   25    HB2  GLN   3           HB2      GLN   3  -3.878 -13.853   7.929
   26    HB3  GLN   3           HB3      GLN   3  -5.061 -14.790   8.824
   27    HG2  GLN   3           HG2      GLN   3  -3.189 -16.060   9.913
   28    HG3  GLN   3           HG3      GLN   3  -2.035 -15.056   9.039
   29   HE21  GLN   3          HE22      GLN   3  -1.561 -12.945   9.875
   30   HE22  GLN   3          HE21      GLN   3  -2.344 -12.287  11.304
   31    H    TYR   4           H        TYR   4  -2.638 -17.901   7.857
   32    HA   TYR   4           HA       TYR   4  -4.794 -19.426   9.246
   33    HD1  TYR   4           HD1      TYR   4  -5.758 -19.582   7.020
   34    HD2  TYR   4           HD2      TYR   4  -3.323 -23.135   7.159
   35    HE1  TYR   4           HE1      TYR   4  -7.397 -20.756   5.612
   36    HE2  TYR   4           HE2      TYR   4  -4.944 -24.304   5.701
   37    HH   TYR   4           HH       TYR   4  -7.006 -24.175   4.617
   38    HB2  TYR   4           HB2      TYR   4  -2.473 -20.438   7.552
   39    HB3  TYR   4           HB3      TYR   4  -3.131 -21.381   8.860
   40    H    ARG   5           H        ARG   5  -4.086 -20.405  11.169
   41    HA   ARG   5           HA       ARG   5  -1.279 -20.021  12.031
   42    HE   ARG   5           HE       ARG   5  -0.304 -19.257  16.856
   43    HB2  ARG   5           HB2      ARG   5  -2.862 -18.562  13.430
   44    HB3  ARG   5           HB3      ARG   5  -3.671 -20.054  13.924
   45    HG2  ARG   5           HG2      ARG   5  -1.347 -20.841  14.791
   46    HG3  ARG   5           HG3      ARG   5  -0.810 -19.173  14.496
   47    HD2  ARG   5           HD2      ARG   5  -2.742 -18.419  15.984
   48    HD3  ARG   5           HD3      ARG   5  -3.041 -20.138  16.332
   49   HH11  ARG   5          HH21      ARG   5  -3.556 -19.497  18.268
   50   HH12  ARG   5          HH22      ARG   5  -3.000 -19.455  19.898
   51   HH21  ARG   5          HH11      ARG   5   0.440 -19.180  18.995
   52   HH22  ARG   5          HH12      ARG   5  -0.674 -19.260  20.328
   53    H    ILE   6           H        ILE   6  -0.451 -22.037  12.746
   54    HA   ILE   6           HA       ILE   6  -2.296 -24.366  12.659
   55    HB   ILE   6           HB       ILE   6   0.443 -24.295  11.365
   56   HG12  ILE   6          HG12      ILE   6  -2.169 -24.352   9.802
   57   HG13  ILE   6          HG13      ILE   6  -1.279 -22.861  10.085
   58   HG21  ILE   6          HG21      ILE   6  -0.209 -26.512  12.140
   59   HG22  ILE   6          HG22      ILE   6  -1.751 -26.395  11.281
   60   HG23  ILE   6          HG23      ILE   6  -0.226 -26.476  10.384
   61   HD11  ILE   6          HD13      ILE   6  -0.706 -23.643   7.921
   62   HD12  ILE   6          HD11      ILE   6   0.716 -23.758   8.973
   63   HD13  ILE   6          HD12      ILE   6  -0.187 -25.224   8.538
   64    H    ILE   7           H        ILE   7  -1.725 -25.922  14.188
   65    HA   ILE   7           HA       ILE   7   0.666 -25.420  15.876
   66    HB   ILE   7           HB       ILE   7  -2.085 -26.250  16.874
   67   HG12  ILE   7          HG12      ILE   7  -2.138 -23.841  16.325
   68   HG13  ILE   7          HG13      ILE   7  -2.310 -24.156  18.035
   69   HG21  ILE   7          HG21      ILE   7   0.525 -25.749  18.369
   70   HG22  ILE   7          HG22      ILE   7  -1.060 -25.965  19.148
   71   HG23  ILE   7          HG23      ILE   7  -0.352 -27.282  18.208
   72   HD11  ILE   7          HD13      ILE   7  -0.878 -22.195  17.531
   73   HD12  ILE   7          HD11      ILE   7  -0.021 -23.425  18.478
   74   HD13  ILE   7          HD12      ILE   7   0.293 -23.255  16.737
   75    H    VAL   8           H        VAL   8   1.761 -27.366  16.335
   76    HA   VAL   8           HA       VAL   8   0.566 -29.875  15.237
   77    HB   VAL   8           HB       VAL   8   3.482 -29.332  14.766
   78   HG11  VAL   8          HG11      VAL   8   1.323 -30.740  13.135
   79   HG12  VAL   8          HG12      VAL   8   3.061 -30.740  12.787
   80   HG13  VAL   8          HG13      VAL   8   2.458 -31.522  14.251
   81   HG21  VAL   8          HG23      VAL   8   2.551 -27.245  13.839
   82   HG22  VAL   8          HG21      VAL   8   3.121 -28.319  12.576
   83   HG23  VAL   8          HG22      VAL   8   1.375 -28.189  12.890
   84    H    ASP   9           H        ASP   9   1.293 -31.798  16.264
   85    HA   ASP   9           HA       ASP   9   3.220 -31.559  18.491
   86    HB2  ASP   9           HB2      ASP   9   0.880 -31.237  19.403
   87    HB3  ASP   9           HB3      ASP   9   0.466 -32.811  18.737
   88    H    GLY  10           H        GLY  10   3.987 -33.679  19.172
   89    HA2  GLY  10           HA2      GLY  10   3.844 -36.176  18.600
   90    HA3  GLY  10           HA3      GLY  10   4.093 -35.639  16.931
   91    H    ARG  11           H        ARG  11   6.109 -36.869  16.960
   92    HA   ARG  11           HA       ARG  11   8.370 -35.506  18.314
   93    HE   ARG  11           HE       ARG  11  12.550 -34.998  17.360
   94    HB2  ARG  11           HB2      ARG  11   8.662 -37.908  17.921
   95    HB3  ARG  11           HB3      ARG  11   8.334 -37.696  16.201
   96    HG2  ARG  11           HG2      ARG  11  10.720 -37.947  16.575
   97    HG3  ARG  11           HG3      ARG  11  10.361 -36.355  15.931
   98    HD2  ARG  11           HD2      ARG  11  10.535 -35.418  18.278
   99    HD3  ARG  11           HD3      ARG  11  11.045 -37.013  18.832
  100   HH11  ARG  11          HH21      ARG  11  12.492 -38.421  18.313
  101   HH12  ARG  11          HH22      ARG  11  14.126 -38.728  17.863
  102   HH21  ARG  11          HH11      ARG  11  14.705 -35.459  16.586
  103   HH22  ARG  11          HH12      ARG  11  15.422 -36.987  16.941
  104    H    VAL  12           H        VAL  12   7.844 -33.408  17.648
  105    HA   VAL  12           HA       VAL  12   8.169 -32.827  14.743
  106    HB   VAL  12           HB       VAL  12   6.480 -31.050  15.022
  107   HG11  VAL  12          HG11      VAL  12   5.389 -33.777  15.815
  108   HG12  VAL  12          HG12      VAL  12   4.530 -32.470  14.991
  109   HG13  VAL  12          HG13      VAL  12   5.872 -33.305  14.178
  110   HG21  VAL  12          HG23      VAL  12   5.022 -30.898  16.929
  111   HG22  VAL  12          HG21      VAL  12   5.812 -32.258  17.741
  112   HG23  VAL  12          HG22      VAL  12   6.681 -30.737  17.521
  113    H    GLN  13           H        GLN  13  10.121 -32.797  17.107
  114    HA   GLN  13           HA       GLN  13  11.256 -30.170  16.464
  115    HB2  GLN  13           HB2      GLN  13  11.014 -31.216  19.325
  116    HB3  GLN  13           HB3      GLN  13  11.930 -29.803  18.794
  117    HG2  GLN  13           HG2      GLN  13   9.738 -28.795  17.994
  118    HG3  GLN  13           HG3      GLN  13   8.904 -30.132  18.785
  119   HE21  GLN  13          HE22      GLN  13   8.062 -27.800  19.737
  120   HE22  GLN  13          HE21      GLN  13   8.825 -27.370  21.251
  121    H    GLY  14           H        GLY  14  13.526 -30.254  16.504
  122    HA2  GLY  14           HA2      GLY  14  15.606 -31.209  16.415
  123    HA3  GLY  14           HA3      GLY  14  15.068 -32.505  17.507
  124    H    VAL  15           H        VAL  15  13.807 -31.458  14.322
  125    HA   VAL  15           HA       VAL  15  14.584 -34.018  13.047
  126    HB   VAL  15           HB       VAL  15  12.245 -34.385  12.233
  127   HG11  VAL  15          HG11      VAL  15  13.210 -35.686  14.113
  128   HG12  VAL  15          HG12      VAL  15  12.429 -34.553  15.242
  129   HG13  VAL  15          HG13      VAL  15  11.450 -35.540  14.146
  130   HG21  VAL  15          HG23      VAL  15  10.354 -33.434  13.525
  131   HG22  VAL  15          HG21      VAL  15  11.469 -32.318  14.332
  132   HG23  VAL  15          HG22      VAL  15  11.223 -32.226  12.573
  133    H    GLY  16           H        GLY  16  14.442 -30.684  12.853
  134    HA2  GLY  16           HA2      GLY  16  15.216 -29.406  11.071
  135    HA3  GLY  16           HA3      GLY  16  14.821 -30.697   9.915
  136    H    PHE  17           H        PHE  17  12.627 -29.621  12.584
  137    HA   PHE  17           HA       PHE  17  10.465 -29.716  10.653
  138    HD1  PHE  17           HD2      PHE  17   8.093 -27.478  12.009
  139    HD2  PHE  17           HD1      PHE  17   8.692 -31.682  12.704
  140    HE1  PHE  17           HE2      PHE  17   5.724 -27.923  11.407
  141    HE2  PHE  17           HE1      PHE  17   6.338 -32.130  12.076
  142    HZ   PHE  17           HZ       PHE  17   4.851 -30.251  11.406
  143    HB2  PHE  17           HB2      PHE  17  10.416 -30.181  13.245
  144    HB3  PHE  17           HB3      PHE  17  10.122 -28.460  13.378
  145    H    ARG  18           H        ARG  18  12.016 -26.980  12.505
  146    HA   ARG  18           HA       ARG  18  10.325 -24.998  11.303
  147    HE   ARG  18           HE       ARG  18  13.141 -25.798  14.754
  148    HB2  ARG  18           HB2      ARG  18  13.097 -24.843  12.549
  149    HB3  ARG  18           HB3      ARG  18  12.197 -23.423  12.018
  150    HG2  ARG  18           HG2      ARG  18  10.466 -23.721  13.591
  151    HG3  ARG  18           HG3      ARG  18  10.910 -25.389  13.949
  152    HD2  ARG  18           HD2      ARG  18  12.594 -22.957  14.674
  153    HD3  ARG  18           HD3      ARG  18  11.475 -23.793  15.764
  154   HH11  ARG  18          HH21      ARG  18  13.261 -23.081  17.081
  155   HH12  ARG  18          HH22      ARG  18  14.851 -23.450  17.631
  156   HH21  ARG  18          HH11      ARG  18  15.055 -26.466  15.674
  157   HH22  ARG  18          HH12      ARG  18  15.862 -25.524  16.915
  158    H    TYR  19           H        TYR  19  13.444 -26.380  10.200
  159    HA   TYR  19           HA       TYR  19  13.737 -24.602   7.971
  160    HD1  TYR  19           HD1      TYR  19  16.388 -24.248   7.200
  161    HD2  TYR  19           HD2      TYR  19  15.902 -26.624  10.774
  162    HE1  TYR  19           HE1      TYR  19  18.087 -22.861   8.348
  163    HE2  TYR  19           HE2      TYR  19  17.595 -25.245  11.927
  164    HH   TYR  19           HH       TYR  19  19.071 -23.445  11.759
  165    HB2  TYR  19           HB2      TYR  19  14.875 -27.336   8.658
  166    HB3  TYR  19           HB3      TYR  19  15.252 -26.496   7.168
  167    H    PHE  20           H        PHE  20  12.213 -27.874   8.296
  168    HA   PHE  20           HA       PHE  20  11.502 -28.164   5.582
  169    HD1  PHE  20           HD1      PHE  20  10.466 -30.674   4.755
  170    HD2  PHE  20           HD2      PHE  20   7.864 -29.191   7.865
  171    HE1  PHE  20           HE1      PHE  20   8.506 -31.667   3.598
  172    HE2  PHE  20           HE2      PHE  20   5.907 -30.166   6.686
  173    HZ   PHE  20           HZ       PHE  20   6.228 -31.426   4.571
  174    HB2  PHE  20           HB2      PHE  20  11.312 -30.014   7.097
  175    HB3  PHE  20           HB3      PHE  20  10.228 -29.139   8.163
  176    H    VAL  21           H        VAL  21   9.646 -26.613   8.282
  177    HA   VAL  21           HA       VAL  21   7.449 -25.847   6.654
  178    HB   VAL  21           HB       VAL  21   8.545 -24.719   9.261
  179   HG11  VAL  21          HG11      VAL  21   5.850 -24.233   7.937
  180   HG12  VAL  21          HG12      VAL  21   6.273 -23.762   9.590
  181   HG13  VAL  21          HG13      VAL  21   7.100 -23.000   8.225
  182   HG21  VAL  21          HG23      VAL  21   7.731 -27.100   9.344
  183   HG22  VAL  21          HG21      VAL  21   6.701 -26.010  10.273
  184   HG23  VAL  21          HG22      VAL  21   6.187 -26.575   8.669
  185    H    GLN  22           H        GLN  22  10.532 -24.101   7.380
  186    HA   GLN  22           HA       GLN  22   9.936 -21.677   6.046
  187    HB2  GLN  22           HB2      GLN  22  11.898 -22.108   7.516
  188    HB3  GLN  22           HB3      GLN  22  12.586 -23.142   6.272
  189    HG2  GLN  22           HG2      GLN  22  13.692 -21.084   6.037
  190    HG3  GLN  22           HG3      GLN  22  12.560 -21.188   4.693
  191   HE21  GLN  22          HE22      GLN  22  12.905 -18.800   4.545
  192   HE22  GLN  22          HE21      GLN  22  11.978 -17.762   5.620
  193    H    MET  23           H        MET  23  11.331 -24.751   4.753
  194    HA   MET  23           HA       MET  23  11.609 -23.657   2.089
  195    HB2  MET  23           HB2      MET  23  11.610 -26.530   3.141
  196    HB3  MET  23           HB3      MET  23  12.011 -26.083   1.477
  197    HG2  MET  23           HG2      MET  23  13.917 -24.769   2.213
  198    HG3  MET  23           HG3      MET  23  13.491 -25.009   3.906
  199    HE1  MET  23           HE3      MET  23  16.752 -27.035   3.854
  200    HE2  MET  23           HE1      MET  23  16.395 -25.469   3.090
  201    HE3  MET  23           HE2      MET  23  15.756 -25.837   4.710
  202    H    GLU  24           H        GLU  24   9.035 -25.652   3.680
  203    HA   GLU  24           HA       GLU  24   7.583 -26.046   1.248
  204    HB2  GLU  24           HB2      GLU  24   6.813 -26.177   4.197
  205    HB3  GLU  24           HB3      GLU  24   5.676 -26.529   2.902
  206    HG2  GLU  24           HG2      GLU  24   8.277 -28.043   3.383
  207    HG3  GLU  24           HG3      GLU  24   6.655 -28.572   3.824
  208    H    ALA  25           H        ALA  25   7.597 -23.396   3.632
  209    HA   ALA  25           HA       ALA  25   5.374 -21.987   2.432
  210    HB1  ALA  25           HB3      ALA  25   6.142 -21.405   4.685
  211    HB2  ALA  25           HB1      ALA  25   7.765 -21.017   4.075
  212    HB3  ALA  25           HB2      ALA  25   6.384 -20.021   3.598
  213    H    ASP  26           H        ASP  26   8.945 -21.957   1.990
  214    HA   ASP  26           HA       ASP  26   9.106 -19.774   0.244
  215    HB2  ASP  26           HB2      ASP  26  11.060 -20.891   1.400
  216    HB3  ASP  26           HB3      ASP  26  10.897 -22.243   0.302
  217    H    LYS  27           H        LYS  27   8.861 -23.278  -0.542
  218    HA   LYS  27           HA       LYS  27   9.018 -22.844  -3.340
  219    HB2  LYS  27           HB2      LYS  27   8.526 -25.173  -3.625
  220    HB3  LYS  27           HB3      LYS  27   9.611 -24.939  -2.272
  221    HG2  LYS  27           HG2      LYS  27   8.234 -26.532  -1.419
  222    HG3  LYS  27           HG3      LYS  27   7.450 -25.085  -0.794
  223    HD2  LYS  27           HD2      LYS  27   5.755 -25.216  -2.607
  224    HD3  LYS  27           HD3      LYS  27   6.572 -26.621  -3.291
  225    HE2  LYS  27           HE2      LYS  27   5.406 -26.485  -0.467
  226    HE3  LYS  27           HE3      LYS  27   4.530 -27.114  -1.864
  227    HZ1  LYS  27           HZ3      LYS  27   6.175 -28.864  -2.081
  228    HZ2  LYS  27           HZ1      LYS  27   7.066 -28.248  -0.819
  229    HZ3  LYS  27           HZ2      LYS  27   5.626 -28.838  -0.519
  230    H    ARG  28           H        ARG  28   6.389 -22.102  -1.322
  231    HA   ARG  28           HA       ARG  28   4.653 -21.886  -3.723
  232    HE   ARG  28           HE       ARG  28  -0.324 -23.880  -3.235
  233    HB2  ARG  28           HB2      ARG  28   4.143 -23.700  -1.749
  234    HB3  ARG  28           HB3      ARG  28   3.299 -22.309  -1.075
  235    HG2  ARG  28           HG2      ARG  28   1.918 -22.123  -3.093
  236    HG3  ARG  28           HG3      ARG  28   2.913 -23.325  -3.937
  237    HD2  ARG  28           HD2      ARG  28   2.231 -25.061  -2.298
  238    HD3  ARG  28           HD3      ARG  28   1.238 -23.882  -1.461
  239   HH11  ARG  28          HH11      ARG  28   2.396 -26.011  -4.074
  240   HH12  ARG  28          HH12      ARG  28   1.519 -26.858  -5.292
  241   HH21  ARG  28          HH21      ARG  28  -1.494 -25.033  -4.795
  242   HH22  ARG  28          HH22      ARG  28  -0.722 -26.262  -5.739
  243    H    LYS  29           H        LYS  29   6.579 -20.055  -2.187
  244    HA   LYS  29           HA       LYS  29   6.747 -18.018  -1.418
  245    HB2  LYS  29           HB2      LYS  29   6.045 -18.034  -3.988
  246    HB3  LYS  29           HB3      LYS  29   4.663 -17.104  -3.397
  247    HG2  LYS  29           HG2      LYS  29   6.303 -15.526  -2.290
  248    HG3  LYS  29           HG3      LYS  29   7.620 -16.517  -2.950
  249    HD2  LYS  29           HD2      LYS  29   6.852 -15.992  -5.265
  250    HD3  LYS  29           HD3      LYS  29   5.503 -15.064  -4.603
  251    HE2  LYS  29           HE2      LYS  29   7.178 -13.498  -5.275
  252    HE3  LYS  29           HE3      LYS  29   7.112 -13.500  -3.512
  253    HZ1  LYS  29           HZ3      LYS  29   9.114 -14.885  -3.513
  254    HZ2  LYS  29           HZ1      LYS  29   9.150 -14.904  -5.151
  255    HZ3  LYS  29           HZ2      LYS  29   9.383 -13.511  -4.344
  256    H    LEU  30           H        LEU  30   5.053 -19.353   0.345
  257    HA   LEU  30           HA       LEU  30   2.930 -17.488   1.176
  258    HG   LEU  30           HG       LEU  30   2.587 -20.497   0.798
  259    HB2  LEU  30           HB2      LEU  30   4.318 -19.865   2.485
  260    HB3  LEU  30           HB3      LEU  30   3.136 -18.874   3.319
  261   HD11  LEU  30          HD11      LEU  30   1.223 -21.892   2.308
  262   HD12  LEU  30          HD12      LEU  30   2.933 -21.903   2.767
  263   HD13  LEU  30          HD13      LEU  30   1.776 -20.939   3.702
  264   HD21  LEU  30          HD23      LEU  30   1.091 -18.624   0.766
  265   HD22  LEU  30          HD21      LEU  30   0.162 -19.982   1.405
  266   HD23  LEU  30          HD22      LEU  30   0.779 -18.747   2.517
  267    H    ALA  31           H        ALA  31   3.131 -16.377   3.278
  268    HA   ALA  31           HA       ALA  31   5.898 -15.591   4.041
  269    HB1  ALA  31           HB3      ALA  31   4.852 -13.851   2.554
  270    HB2  ALA  31           HB1      ALA  31   3.494 -13.733   3.703
  271    HB3  ALA  31           HB2      ALA  31   5.139 -13.279   4.200
  272    H    GLY  32           H        GLY  32   5.970 -14.960   6.426
  273    HA2  GLY  32           HA2      GLY  32   4.038 -15.073   8.346
  274    HA3  GLY  32           HA3      GLY  32   4.083 -16.738   7.780
  275    H    TRP  33           H        TRP  33   4.748 -17.435   9.888
  276    HA   TRP  33           HA       TRP  33   7.600 -17.421  10.121
  277    HD1  TRP  33           HD1      TRP  33   5.660 -18.436  13.665
  278    HE1  TRP  33           HE1      TRP  33   3.958 -17.551  15.322
  279    HE3  TRP  33           HE3      TRP  33   5.787 -13.484  12.341
  280    HZ2  TRP  33           HZ2      TRP  33   2.848 -14.984  16.072
  281    HZ3  TRP  33           HZ3      TRP  33   4.422 -11.835  13.586
  282    HH2  TRP  33           HH2      TRP  33   2.955 -12.568  15.457
  283    HB2  TRP  33           HB2      TRP  33   7.798 -16.760  12.413
  284    HB3  TRP  33           HB3      TRP  33   7.053 -15.466  11.514
  285    H    VAL  34           H        VAL  34   8.388 -19.010  11.747
  286    HA   VAL  34           HA       VAL  34   6.359 -20.891  12.795
  287    HB   VAL  34           HB       VAL  34   7.108 -21.895  10.720
  288   HG11  VAL  34          HG11      VAL  34   9.404 -22.596  10.272
  289   HG12  VAL  34          HG12      VAL  34   9.332 -20.842  10.427
  290   HG13  VAL  34          HG13      VAL  34   9.966 -21.821  11.765
  291   HG21  VAL  34          HG23      VAL  34   6.660 -23.372  12.649
  292   HG22  VAL  34          HG21      VAL  34   7.840 -24.069  11.531
  293   HG23  VAL  34          HG22      VAL  34   8.368 -23.362  13.065
  294    H    LYS  35           H        LYS  35   6.973 -21.800  14.820
  295    HA   LYS  35           HA       LYS  35   9.725 -21.463  15.727
  296    HB2  LYS  35           HB2      LYS  35   9.158 -20.548  17.887
  297    HB3  LYS  35           HB3      LYS  35   8.822 -19.394  16.614
  298    HG2  LYS  35           HG2      LYS  35   6.456 -19.608  16.877
  299    HG3  LYS  35           HG3      LYS  35   6.610 -21.084  17.850
  300    HD2  LYS  35           HD2      LYS  35   7.693 -19.895  19.652
  301    HD3  LYS  35           HD3      LYS  35   7.697 -18.380  18.745
  302    HE2  LYS  35           HE2      LYS  35   5.157 -19.876  19.549
  303    HE3  LYS  35           HE3      LYS  35   5.944 -18.678  20.578
  304    HZ1  LYS  35           HZ3      LYS  35   4.229 -17.622  19.365
  305    HZ2  LYS  35           HZ1      LYS  35   5.632 -17.051  18.758
  306    HZ3  LYS  35           HZ2      LYS  35   4.728 -18.161  17.927
  307    H    ASN  36           H        ASN  36  10.230 -22.871  17.532
  308    HA   ASN  36           HA       ASN  36   8.365 -25.137  17.952
  309    HB2  ASN  36           HB2      ASN  36  11.186 -24.469  18.883
  310    HB3  ASN  36           HB3      ASN  36  10.254 -25.743  19.606
  311   HD21  ASN  36          HD22      ASN  36  12.580 -26.554  18.592
  312   HD22  ASN  36          HD21      ASN  36  12.420 -27.368  17.039
  313    H    ARG  37           H        ARG  37   7.633 -25.552  20.148
  314    HA   ARG  37           HA       ARG  37   7.507 -23.132  21.916
  315    HE   ARG  37           HE       ARG  37   3.328 -25.178  22.211
  316    HB2  ARG  37           HB2      ARG  37   5.550 -25.400  21.390
  317    HB3  ARG  37           HB3      ARG  37   5.393 -24.269  22.741
  318    HG2  ARG  37           HG2      ARG  37   4.933 -22.428  21.334
  319    HG3  ARG  37           HG3      ARG  37   5.508 -23.254  19.881
  320    HD2  ARG  37           HD2      ARG  37   3.006 -23.097  20.051
  321    HD3  ARG  37           HD3      ARG  37   3.640 -24.715  19.804
  322   HH11  ARG  37          HH21      ARG  37   1.440 -22.447  20.903
  323   HH12  ARG  37          HH22      ARG  37   0.095 -22.710  21.948
  324   HH21  ARG  37          HH11      ARG  37   1.526 -25.570  23.518
  325   HH22  ARG  37          HH12      ARG  37   0.174 -24.478  23.521
  326    H    ASP  38           H        ASP  38   7.727 -23.536  24.164
  327    HA   ASP  38           HA       ASP  38   9.613 -25.543  24.880
  328    HB2  ASP  38           HB2      ASP  38   9.428 -23.394  26.044
  329    HB3  ASP  38           HB3      ASP  38   7.797 -23.797  26.587
  330    H    ASP  39           H        ASP  39   6.095 -25.539  24.902
  331    HA   ASP  39           HA       ASP  39   5.763 -27.829  26.591
  332    HB2  ASP  39           HB2      ASP  39   3.500 -27.664  26.182
  333    HB3  ASP  39           HB3      ASP  39   4.036 -25.992  26.075
  334    H    GLY  40           H        GLY  40   7.118 -27.623  23.533
  335    HA2  GLY  40           HA2      GLY  40   8.040 -29.505  22.484
  336    HA3  GLY  40           HA3      GLY  40   6.740 -30.527  23.101
  337    H    ARG  41           H        ARG  41   5.022 -27.919  22.017
  338    HA   ARG  41           HA       ARG  41   4.363 -29.273  19.493
  339    HE   ARG  41           HE       ARG  41  -0.690 -29.673  21.055
  340    HB2  ARG  41           HB2      ARG  41   3.214 -26.849  20.927
  341    HB3  ARG  41           HB3      ARG  41   2.613 -27.429  19.383
  342    HG2  ARG  41           HG2      ARG  41   2.133 -29.634  20.371
  343    HG3  ARG  41           HG3      ARG  41   2.673 -29.060  21.959
  344    HD2  ARG  41           HD2      ARG  41   0.866 -27.397  22.008
  345    HD3  ARG  41           HD3      ARG  41   0.410 -27.810  20.359
  346   HH11  ARG  41          HH21      ARG  41   1.151 -28.414  23.855
  347   HH12  ARG  41          HH22      ARG  41   0.442 -29.539  24.962
  348   HH21  ARG  41          HH11      ARG  41  -1.611 -31.135  22.552
  349   HH22  ARG  41          HH12      ARG  41  -1.165 -31.091  24.214
  350    H    VAL  42           H        VAL  42   3.881 -27.670  17.642
  351    HA   VAL  42           HA       VAL  42   6.059 -25.651  17.308
  352    HB   VAL  42           HB       VAL  42   4.817 -27.453  15.177
  353   HG11  VAL  42          HG11      VAL  42   5.323 -25.232  14.231
  354   HG12  VAL  42          HG12      VAL  42   6.979 -25.323  14.874
  355   HG13  VAL  42          HG13      VAL  42   6.437 -26.445  13.613
  356   HG21  VAL  42          HG23      VAL  42   6.476 -28.673  16.519
  357   HG22  VAL  42          HG21      VAL  42   7.101 -28.360  14.903
  358   HG23  VAL  42          HG22      VAL  42   7.659 -27.377  16.272
  359    H    GLU  43           H        GLU  43   5.316 -23.704  16.431
  360    HA   GLU  43           HA       GLU  43   2.397 -23.428  15.908
  361    HB2  GLU  43           HB2      GLU  43   3.030 -22.146  17.961
  362    HB3  GLU  43           HB3      GLU  43   4.328 -21.365  17.054
  363    HG2  GLU  43           HG2      GLU  43   2.418 -20.522  15.452
  364    HG3  GLU  43           HG3      GLU  43   1.323 -21.019  16.733
  365    H    ILE  44           H        ILE  44   1.986 -22.526  13.933
  366    HA   ILE  44           HA       ILE  44   4.178 -21.271  12.402
  367    HB   ILE  44           HB       ILE  44   2.029 -22.948  11.113
  368   HG12  ILE  44          HG12      ILE  44   4.742 -24.071  11.911
  369   HG13  ILE  44          HG13      ILE  44   3.186 -24.561  12.583
  370   HG21  ILE  44          HG21      ILE  44   3.210 -21.353   9.702
  371   HG22  ILE  44          HG22      ILE  44   4.774 -22.032  10.200
  372   HG23  ILE  44          HG23      ILE  44   3.641 -22.986   9.226
  373   HD11  ILE  44          HD13      ILE  44   2.481 -25.327  10.313
  374   HD12  ILE  44          HD11      ILE  44   4.154 -25.067   9.763
  375   HD13  ILE  44          HD12      ILE  44   3.824 -26.229  11.050
  376    H    LEU  45           H        LEU  45   3.391 -19.486  11.212
  377    HA   LEU  45           HA       LEU  45   0.489 -18.868  11.244
  378    HG   LEU  45           HG       LEU  45  -0.323 -16.607  12.061
  379    HB2  LEU  45           HB2      LEU  45   1.707 -17.625  13.087
  380    HB3  LEU  45           HB3      LEU  45   2.718 -16.865  11.863
  381   HD11  LEU  45          HD11      LEU  45   1.868 -14.642  12.845
  382   HD12  LEU  45          HD12      LEU  45   0.115 -14.380  12.984
  383   HD13  LEU  45          HD13      LEU  45   0.910 -15.611  13.979
  384   HD21  LEU  45          HD23      LEU  45   1.712 -15.238  10.245
  385   HD22  LEU  45          HD21      LEU  45   0.198 -16.061   9.791
  386   HD23  LEU  45          HD22      LEU  45   0.135 -14.515  10.609
  387    H    ALA  46           H        ALA  46  -0.057 -18.413   9.080
  388    HA   ALA  46           HA       ALA  46   2.130 -17.716   7.209
  389    HB1  ALA  46           HB3      ALA  46   0.272 -20.110   6.872
  390    HB2  ALA  46           HB1      ALA  46   1.401 -19.484   5.646
  391    HB3  ALA  46           HB2      ALA  46   2.028 -20.160   7.160
  392    H    GLU  47           H        GLU  47   1.420 -16.674   5.361
  393    HA   GLU  47           HA       GLU  47  -1.417 -15.868   5.193
  394    HB2  GLU  47           HB2      GLU  47   1.071 -14.103   5.354
  395    HB3  GLU  47           HB3      GLU  47  -0.486 -13.530   4.717
  396    HG2  GLU  47           HG2      GLU  47  -1.618 -14.037   6.803
  397    HG3  GLU  47           HG3      GLU  47  -0.153 -14.748   7.485
  398    H    GLY  48           H        GLY  48  -2.146 -15.829   3.118
  399    HA2  GLY  48           HA2      GLY  48  -0.780 -15.401   0.714
  400    HA3  GLY  48           HA3      GLY  48  -0.493 -17.091   1.133
  401    HA   PRO  49           HA       PRO  49  -4.672 -16.930  -0.897
  402    HB2  PRO  49           HB2      PRO  49  -4.213 -18.665  -2.963
  403    HB3  PRO  49           HB3      PRO  49  -3.832 -16.918  -3.055
  404    HG2  PRO  49           HG2      PRO  49  -1.957 -19.208  -2.453
  405    HG3  PRO  49           HG3      PRO  49  -1.697 -17.830  -3.562
  406    HD2  PRO  49           HD2      PRO  49  -0.709 -17.900  -0.993
  407    HD3  PRO  49           HD3      PRO  49  -1.199 -16.375  -1.789
  408    H    GLU  50           H        GLU  50  -6.238 -18.551  -0.647
  409    HA   GLU  50           HA       GLU  50  -5.823 -20.270   1.515
  410    HB2  GLU  50           HB2      GLU  50  -7.969 -19.218   0.767
  411    HB3  GLU  50           HB3      GLU  50  -8.042 -20.380  -0.566
  412    HG2  GLU  50           HG2      GLU  50  -8.074 -22.238   1.120
  413    HG3  GLU  50           HG3      GLU  50  -8.045 -21.045   2.416
  414    H    ASN  51           H        ASN  51  -5.596 -21.034  -1.985
  415    HA   ASN  51           HA       ASN  51  -5.558 -23.896  -1.612
  416    HB2  ASN  51           HB2      ASN  51  -5.957 -22.975  -3.843
  417    HB3  ASN  51           HB3      ASN  51  -4.409 -22.122  -3.819
  418   HD21  ASN  51          HD22      ASN  51  -5.898 -25.386  -4.007
  419   HD22  ASN  51          HD21      ASN  51  -4.467 -26.174  -4.613
  420    H    ALA  52           H        ALA  52  -3.007 -21.413  -1.545
  421    HA   ALA  52           HA       ALA  52  -0.868 -23.367  -1.399
  422    HB1  ALA  52           HB3      ALA  52  -0.883 -20.406  -0.665
  423    HB2  ALA  52           HB1      ALA  52   0.559 -21.433  -0.792
  424    HB3  ALA  52           HB2      ALA  52  -0.409 -21.094  -2.237
  425    H    LEU  53           H        LEU  53  -2.719 -21.415   0.976
  426    HA   LEU  53           HA       LEU  53  -1.326 -22.336   3.274
  427    HG   LEU  53           HG       LEU  53  -2.347 -19.660   2.414
  428    HB2  LEU  53           HB2      LEU  53  -4.187 -21.375   2.881
  429    HB3  LEU  53           HB3      LEU  53  -3.444 -21.641   4.448
  430   HD11  LEU  53          HD11      LEU  53  -4.082 -19.144   4.861
  431   HD12  LEU  53          HD12      LEU  53  -3.362 -17.922   3.792
  432   HD13  LEU  53          HD13      LEU  53  -4.600 -19.014   3.163
  433   HD21  LEU  53          HD23      LEU  53  -0.642 -20.403   4.030
  434   HD22  LEU  53          HD21      LEU  53  -1.123 -18.736   4.346
  435   HD23  LEU  53          HD22      LEU  53  -1.745 -20.042   5.375
  436    H    GLN  54           H        GLN  54  -4.201 -23.722   1.583
  437    HA   GLN  54           HA       GLN  54  -4.603 -25.912   3.357
  438    HB2  GLN  54           HB2      GLN  54  -5.176 -25.385   0.425
  439    HB3  GLN  54           HB3      GLN  54  -5.506 -26.962   1.111
  440    HG2  GLN  54           HG2      GLN  54  -7.033 -26.042   2.761
  441    HG3  GLN  54           HG3      GLN  54  -6.641 -24.390   2.266
  442   HE21  GLN  54          HE22      GLN  54  -7.099 -23.795  -0.001
  443   HE22  GLN  54          HE21      GLN  54  -8.486 -24.508  -0.823
  444    H    SER  55           H        SER  55  -2.607 -25.711   0.341
  445    HA   SER  55           HA       SER  55  -1.706 -28.401   0.435
  446    HG   SER  55           HG       SER  55  -2.289 -26.008  -1.585
  447    HB2  SER  55           HB2      SER  55  -0.243 -25.966  -0.687
  448    HB3  SER  55           HB3      SER  55  -0.003 -27.658  -1.153
  449    H    PHE  56           H        PHE  56  -0.384 -25.427   1.885
  450    HA   PHE  56           HA       PHE  56   2.002 -26.506   2.948
  451    HD1  PHE  56           HD2      PHE  56   3.926 -24.773   3.502
  452    HD2  PHE  56           HD1      PHE  56   0.590 -23.378   5.857
  453    HE1  PHE  56           HE2      PHE  56   5.493 -23.787   5.156
  454    HE2  PHE  56           HE1      PHE  56   2.160 -22.395   7.495
  455    HZ   PHE  56           HZ       PHE  56   4.615 -22.529   7.104
  456    HB2  PHE  56           HB2      PHE  56   1.541 -24.166   2.561
  457    HB3  PHE  56           HB3      PHE  56   0.216 -24.170   3.708
  458    H    VAL  57           H        VAL  57  -1.337 -26.190   4.411
  459    HA   VAL  57           HA       VAL  57  -0.653 -27.416   6.881
  460    HB   VAL  57           HB       VAL  57  -3.244 -27.139   5.332
  461   HG11  VAL  57          HG11      VAL  57  -3.522 -29.262   6.527
  462   HG12  VAL  57          HG12      VAL  57  -2.933 -28.522   8.033
  463   HG13  VAL  57          HG13      VAL  57  -4.470 -28.001   7.302
  464   HG21  VAL  57          HG23      VAL  57  -3.824 -25.668   7.201
  465   HG22  VAL  57          HG21      VAL  57  -2.321 -26.083   8.035
  466   HG23  VAL  57          HG22      VAL  57  -2.268 -25.163   6.514
  467    H    GLU  58           H        GLU  58  -1.802 -28.891   3.778
  468    HA   GLU  58           HA       GLU  58  -1.922 -31.550   4.659
  469    HB2  GLU  58           HB2      GLU  58  -1.213 -30.404   1.936
  470    HB3  GLU  58           HB3      GLU  58  -1.451 -32.116   2.212
  471    HG2  GLU  58           HG2      GLU  58  -3.626 -30.135   2.964
  472    HG3  GLU  58           HG3      GLU  58  -3.401 -30.644   1.296
  473    H    ALA  59           H        ALA  59   0.873 -29.705   3.506
  474    HA   ALA  59           HA       ALA  59   2.752 -31.876   3.604
  475    HB1  ALA  59           HB3      ALA  59   3.245 -28.870   3.793
  476    HB2  ALA  59           HB1      ALA  59   4.460 -30.115   3.465
  477    HB3  ALA  59           HB2      ALA  59   3.158 -29.826   2.295
  478    H    VAL  60           H        VAL  60   1.912 -29.275   5.955
  479    HA   VAL  60           HA       VAL  60   3.779 -30.054   7.958
  480    HB   VAL  60           HB       VAL  60   1.189 -28.463   8.039
  481   HG11  VAL  60          HG11      VAL  60   1.892 -27.603  10.231
  482   HG12  VAL  60          HG12      VAL  60   1.608 -29.334  10.329
  483   HG13  VAL  60          HG13      VAL  60   3.271 -28.730  10.247
  484   HG21  VAL  60          HG23      VAL  60   4.096 -27.556   8.297
  485   HG22  VAL  60          HG21      VAL  60   3.219 -27.524   6.770
  486   HG23  VAL  60          HG22      VAL  60   2.654 -26.531   8.111
  487    H    LYS  61           H        LYS  61   0.561 -31.421   7.137
  488    HA   LYS  61           HA       LYS  61   0.208 -32.898   9.525
  489    HB2  LYS  61           HB2      LYS  61  -0.425 -33.958   6.742
  490    HB3  LYS  61           HB3      LYS  61  -1.088 -34.493   8.288
  491    HG2  LYS  61           HG2      LYS  61  -2.115 -32.223   8.576
  492    HG3  LYS  61           HG3      LYS  61  -1.599 -31.848   6.916
  493    HD2  LYS  61           HD2      LYS  61  -2.954 -33.611   6.006
  494    HD3  LYS  61           HD3      LYS  61  -3.389 -34.201   7.627
  495    HE2  LYS  61           HE2      LYS  61  -4.622 -32.196   8.140
  496    HE3  LYS  61           HE3      LYS  61  -3.994 -31.366   6.707
  497    HZ1  LYS  61           HZ3      LYS  61  -6.262 -32.174   6.393
  498    HZ2  LYS  61           HZ1      LYS  61  -5.213 -32.809   5.307
  499    HZ3  LYS  61           HZ2      LYS  61  -5.771 -33.723   6.566
  500    H    ASN  62           H        ASN  62   2.433 -33.501   6.803
  501    HA   ASN  62           HA       ASN  62   3.223 -36.100   7.864
  502    HB2  ASN  62           HB2      ASN  62   3.299 -35.606   5.411
  503    HB3  ASN  62           HB3      ASN  62   4.566 -34.411   5.711
  504   HD21  ASN  62          HD22      ASN  62   6.730 -35.171   6.253
  505   HD22  ASN  62          HD21      ASN  62   7.144 -36.866   6.134
  506    H    GLY  63           H        GLY  63   4.469 -32.783   7.724
  507    HA2  GLY  63           HA2      GLY  63   6.105 -31.711   9.026
  508    HA3  GLY  63           HA3      GLY  63   6.382 -33.208   9.929
  509    H    SER  64           H        SER  64   8.709 -32.629   9.504
  510    HA   SER  64           HA       SER  64   9.835 -32.663   6.879
  511    HG   SER  64           HG       SER  64  12.112 -33.334  10.162
  512    HB2  SER  64           HB2      SER  64  11.952 -32.793   8.033
  513    HB3  SER  64           HB3      SER  64  10.905 -31.726   8.963
  514    HA   PRO  65           HA       PRO  65  10.329 -37.049   5.948
  515    HB2  PRO  65           HB2      PRO  65  13.308 -36.542   5.987
  516    HB3  PRO  65           HB3      PRO  65  12.336 -37.445   4.783
  517    HG2  PRO  65           HG2      PRO  65  13.134 -34.917   4.250
  518    HG3  PRO  65           HG3      PRO  65  11.452 -35.416   3.870
  519    HD2  PRO  65           HD2      PRO  65  12.462 -33.872   6.265
  520    HD3  PRO  65           HD3      PRO  65  11.024 -33.556   5.247
  521    H    PHE  66           H        PHE  66  11.720 -35.660   8.821
  522    HA   PHE  66           HA       PHE  66  12.319 -38.353   9.954
  523    HD1  PHE  66           HD2      PHE  66  14.996 -38.911   9.580
  524    HD2  PHE  66           HD1      PHE  66  14.484 -34.687   8.848
  525    HE1  PHE  66           HE2      PHE  66  16.632 -39.030   7.715
  526    HE2  PHE  66           HE1      PHE  66  16.116 -34.814   6.983
  527    HZ   PHE  66           HZ       PHE  66  17.193 -36.985   6.412
  528    HB2  PHE  66           HB2      PHE  66  13.492 -35.680  10.772
  529    HB3  PHE  66           HB3      PHE  66  13.983 -37.273  11.326
  530    H    SER  67           H        SER  67   9.994 -35.914  10.027
  531    HA   SER  67           HA       SER  67   9.501 -35.721  12.876
  532    HG   SER  67           HG       SER  67   9.789 -33.857  10.818
  533    HB2  SER  67           HB2      SER  67   7.796 -35.149  10.416
  534    HB3  SER  67           HB3      SER  67   7.369 -34.711  12.081
  535    H    LYS  68           H        LYS  68   7.572 -36.500  13.861
  536    HA   LYS  68           HA       LYS  68   5.983 -38.558  12.508
  537    HB2  LYS  68           HB2      LYS  68   7.881 -39.632  13.994
  538    HB3  LYS  68           HB3      LYS  68   6.851 -39.195  15.346
  539    HG2  LYS  68           HG2      LYS  68   6.120 -40.960  12.971
  540    HG3  LYS  68           HG3      LYS  68   6.493 -41.502  14.608
  541    HD2  LYS  68           HD2      LYS  68   4.460 -40.321  15.453
  542    HD3  LYS  68           HD3      LYS  68   4.067 -39.851  13.780
  543    HE2  LYS  68           HE2      LYS  68   4.019 -42.241  13.117
  544    HE3  LYS  68           HE3      LYS  68   4.357 -42.713  14.786
  545    HZ1  LYS  68           HZ3      LYS  68   1.947 -41.223  13.906
  546    HZ2  LYS  68           HZ1      LYS  68   1.994 -42.816  14.245
  547    HZ3  LYS  68           HZ2      LYS  68   2.247 -41.738  15.436
  548    H    VAL  69           H        VAL  69   4.675 -36.651  12.348
  549    HA   VAL  69           HA       VAL  69   3.670 -35.156  14.578
  550    HB   VAL  69           HB       VAL  69   2.536 -35.777  11.817
  551   HG11  VAL  69          HG11      VAL  69   1.655 -33.666  13.828
  552   HG12  VAL  69          HG12      VAL  69   1.172 -33.688  12.119
  553   HG13  VAL  69          HG13      VAL  69   0.684 -35.005  13.186
  554   HG21  VAL  69          HG23      VAL  69   3.372 -33.589  11.144
  555   HG22  VAL  69          HG21      VAL  69   3.983 -33.270  12.770
  556   HG23  VAL  69          HG22      VAL  69   4.720 -34.537  11.764
  557    H    THR  70           H        THR  70   1.917 -35.603  15.940
  558    HA   THR  70           HA       THR  70   0.393 -38.123  15.479
  559    HB   THR  70           HB       THR  70   0.211 -38.257  17.941
  560    HG1  THR  70           HG1      THR  70   1.296 -36.870  19.217
  561   HG21  THR  70          HG23      THR  70   2.497 -38.999  18.409
  562   HG22  THR  70          HG21      THR  70   2.049 -39.473  16.761
  563   HG23  THR  70          HG22      THR  70   3.119 -38.079  17.022
  564    H    ASP  71           H        ASP  71   0.247 -34.641  16.025
  565    HA   ASP  71           HA       ASP  71  -2.623 -34.714  15.486
  566    HB2  ASP  71           HB2      ASP  71  -2.565 -34.927  17.960
  567    HB3  ASP  71           HB3      ASP  71  -1.530 -33.503  18.061
  568    H    ILE  72           H        ILE  72  -3.411 -32.601  14.884
  569    HA   ILE  72           HA       ILE  72  -1.564 -30.396  14.575
  570    HB   ILE  72           HB       ILE  72  -0.950 -31.773  12.648
  571   HG12  ILE  72          HG12      ILE  72  -2.534 -29.293  11.864
  572   HG13  ILE  72          HG13      ILE  72  -0.862 -29.357  12.425
  573   HG21  ILE  72          HG21      ILE  72  -2.447 -32.440  10.885
  574   HG22  ILE  72          HG22      ILE  72  -3.105 -33.045  12.392
  575   HG23  ILE  72          HG23      ILE  72  -3.817 -31.601  11.642
  576   HD11  ILE  72          HD13      ILE  72  -1.985 -30.392   9.800
  577   HD12  ILE  72          HD11      ILE  72  -0.805 -29.107  10.049
  578   HD13  ILE  72          HD12      ILE  72  -0.352 -30.798  10.372
  579    H    SER  73           H        SER  73  -2.746 -28.459  14.315
  580    HA   SER  73           HA       SER  73  -5.699 -28.587  14.037
  581    HG   SER  73           HG       SER  73  -5.368 -28.541  17.627
  582    HB2  SER  73           HB2      SER  73  -4.219 -27.096  16.252
  583    HB3  SER  73           HB3      SER  73  -5.966 -27.087  15.963
  584    H    VAL  74           H        VAL  74  -6.573 -26.542  13.308
  585    HA   VAL  74           HA       VAL  74  -4.621 -24.542  12.334
  586    HB   VAL  74           HB       VAL  74  -6.845 -25.777  10.650
  587   HG11  VAL  74          HG11      VAL  74  -6.410 -23.456   9.988
  588   HG12  VAL  74          HG12      VAL  74  -4.660 -23.766   9.933
  589   HG13  VAL  74          HG13      VAL  74  -5.757 -24.541   8.770
  590   HG21  VAL  74          HG23      VAL  74  -3.842 -26.208  10.420
  591   HG22  VAL  74          HG21      VAL  74  -5.051 -27.434  10.868
  592   HG23  VAL  74          HG22      VAL  74  -5.059 -26.749   9.247
  593    H    THR  75           H        THR  75  -5.463 -22.475  12.258
  594    HA   THR  75           HA       THR  75  -8.335 -21.996  12.674
  595    HB   THR  75           HB       THR  75  -6.261 -20.295  14.098
  596    HG1  THR  75           HG1      THR  75  -6.108 -22.385  14.964
  597   HG21  THR  75          HG23      THR  75  -8.469 -19.269  13.867
  598   HG22  THR  75          HG21      THR  75  -9.250 -20.715  14.547
  599   HG23  THR  75          HG22      THR  75  -8.195 -19.700  15.557
  600    H    GLU  76           H        GLU  76  -8.829 -19.756  11.720
  601    HA   GLU  76           HA       GLU  76  -6.725 -18.674   9.990
  602    HB2  GLU  76           HB2      GLU  76  -7.969 -18.945   7.958
  603    HB3  GLU  76           HB3      GLU  76  -7.680 -20.523   8.673
  604    HG2  GLU  76           HG2      GLU  76 -10.294 -18.973   8.835
  605    HG3  GLU  76           HG3      GLU  76  -9.928 -20.220   7.653
  606    H    SER  77           H        SER  77  -7.395 -16.703   8.893
  607    HA   SER  77           HA       SER  77  -9.577 -15.162  10.171
  608    HG   SER  77           HG       SER  77  -6.835 -14.553  12.472
  609    HB2  SER  77           HB2      SER  77  -6.625 -14.370  10.231
  610    HB3  SER  77           HB3      SER  77  -7.977 -13.394  10.816
  611    H    ARG  78           H        ARG  78 -10.314 -13.535   8.828
  612    HA   ARG  78           HA       ARG  78  -9.311 -13.284   6.090
  613    HE   ARG  78           HE       ARG  78 -11.867 -12.225   4.161
  614    HB2  ARG  78           HB2      ARG  78 -11.193 -11.461   7.659
  615    HB3  ARG  78           HB3      ARG  78 -10.901 -11.420   5.925
  616    HG2  ARG  78           HG2      ARG  78 -12.261 -13.666   7.460
  617    HG3  ARG  78           HG3      ARG  78 -13.048 -12.472   6.438
  618    HD2  ARG  78           HD2      ARG  78 -11.043 -14.553   5.496
  619    HD3  ARG  78           HD3      ARG  78 -12.803 -14.657   5.328
  620   HH11  ARG  78          HH11      ARG  78 -11.976 -15.714   3.519
  621   HH12  ARG  78          HH12      ARG  78 -11.869 -15.548   1.807
  622   HH21  ARG  78          HH21      ARG  78 -11.720 -12.000   1.876
  623   HH22  ARG  78          HH22      ARG  78 -11.727 -13.385   0.857
  624    H    SER  79           H        SER  79  -9.098 -11.378   9.133
  625    HA   SER  79           HA       SER  79  -7.381  -9.344   8.233
  626    HG   SER  79           HG       SER  79  -9.103  -9.126  11.415
  627    HB2  SER  79           HB2      SER  79  -7.443 -10.669  10.977
  628    HB3  SER  79           HB3      SER  79  -6.965  -9.006  10.591
  629    H    LEU  80           H        LEU  80  -5.138  -9.189   8.313
  630    HA   LEU  80           HA       LEU  80  -3.462 -11.496   8.899
  631    HG   LEU  80           HG       LEU  80  -4.533  -9.549   5.846
  632    HB2  LEU  80           HB2      LEU  80  -2.436 -11.589   6.684
  633    HB3  LEU  80           HB3      LEU  80  -4.128 -12.014   6.664
  634   HD11  LEU  80          HD11      LEU  80  -2.667  -8.723   4.405
  635   HD12  LEU  80          HD12      LEU  80  -2.255  -8.646   6.111
  636   HD13  LEU  80          HD13      LEU  80  -1.598  -9.958   5.104
  637   HD21  LEU  80          HD23      LEU  80  -3.221 -11.683   4.114
  638   HD22  LEU  80          HD21      LEU  80  -4.948 -11.576   4.532
  639   HD23  LEU  80          HD22      LEU  80  -4.214 -10.323   3.524
  640    H    GLU  81           H        GLU  81  -1.155 -10.857   8.998
  641    HA   GLU  81           HA       GLU  81  -1.017  -8.161  10.115
  642    HB2  GLU  81           HB2      GLU  81   1.284 -10.101   9.773
  643    HB3  GLU  81           HB3      GLU  81   1.157  -8.753  10.888
  644    HG2  GLU  81           HG2      GLU  81  -0.124 -11.476  11.049
  645    HG3  GLU  81           HG3      GLU  81   0.908 -10.680  12.212
  646    H    GLY  82           H        GLY  82   0.068  -9.844   7.191
  647    HA2  GLY  82           HA2      GLY  82   0.372  -8.685   5.134
  648    HA3  GLY  82           HA3      GLY  82   0.847  -7.217   5.996
  649    H    HIS  83           H        HIS  83   1.949 -10.640   6.424
  650    HA   HIS  83           HA       HIS  83   4.746  -9.947   6.519
  651    HD1  HIS  83           HD1      HIS  83   1.745 -12.002   8.253
  652    HD2  HIS  83           HD2      HIS  83   5.910 -12.497   8.690
  653    HE1  HIS  83           HE1      HIS  83   2.160 -12.510  10.716
  654    HB2  HIS  83           HB2      HIS  83   3.302 -12.582   5.984
  655    HB3  HIS  83           HB3      HIS  83   5.034 -12.406   6.252
  656    H    HIS  84           H        HIS  84   6.326 -10.301   4.869
  657    HA   HIS  84           HA       HIS  84   5.331 -10.718   2.077
  658    HD1  HIS  84           HD1      HIS  84   3.707  -9.018   2.554
  659    HD2  HIS  84           HD2      HIS  84   6.729  -6.178   1.826
  660    HE1  HIS  84           HE1      HIS  84   2.520  -6.796   2.155
  661    HB2  HIS  84           HB2      HIS  84   7.367  -8.693   3.084
  662    HB3  HIS  84           HB3      HIS  84   7.126  -9.093   1.390
  663    H    ARG  85           H        ARG  85   7.260 -12.006   4.502
  664    HA   ARG  85           HA       ARG  85   8.548 -13.802   2.635
  665    HE   ARG  85           HE       ARG  85  12.758 -13.049   4.588
  666    HB2  ARG  85           HB2      ARG  85  10.800 -13.550   3.496
  667    HB3  ARG  85           HB3      ARG  85  10.244 -12.034   2.831
  668    HG2  ARG  85           HG2      ARG  85  11.145 -11.151   4.701
  669    HG3  ARG  85           HG3      ARG  85   9.591 -11.542   5.412
  670    HD2  ARG  85           HD2      ARG  85  11.331 -12.243   6.912
  671    HD3  ARG  85           HD3      ARG  85  10.583 -13.703   6.263
  672   HH11  ARG  85          HH21      ARG  85  12.250 -14.115   7.932
  673   HH12  ARG  85          HH22      ARG  85  13.874 -14.701   8.135
  674   HH21  ARG  85          HH11      ARG  85  14.851 -13.967   4.801
  675   HH22  ARG  85          HH12      ARG  85  15.346 -14.692   6.280
  676    H    PHE  86           H        PHE  86   9.696 -15.591   4.151
  677    HA   PHE  86           HA       PHE  86   7.835 -16.042   6.423
  678    HD1  PHE  86           HD1      PHE  86   8.988 -19.277   7.408
  679    HD2  PHE  86           HD2      PHE  86   5.649 -17.985   5.012
  680    HE1  PHE  86           HE1      PHE  86   7.438 -20.476   8.910
  681    HE2  PHE  86           HE2      PHE  86   4.098 -19.137   6.557
  682    HZ   PHE  86           HZ       PHE  86   4.986 -20.373   8.511
  683    HB2  PHE  86           HB2      PHE  86   7.852 -17.566   4.264
  684    HB3  PHE  86           HB3      PHE  86   9.272 -18.271   5.021
  685    H    SER  87           H        SER  87   8.775 -16.559   8.423
  686    HA   SER  87           HA       SER  87  11.774 -16.564   8.501
  687    HG   SER  87           HG       SER  87  10.423 -13.356   9.502
  688    HB2  SER  87           HB2      SER  87   9.816 -15.272  10.440
  689    HB3  SER  87           HB3      SER  87  11.583 -15.189  10.507
  690    H    ILE  88           H        ILE  88  12.744 -18.173   9.601
  691    HA   ILE  88           HA       ILE  88  11.302 -19.791  11.589
  692    HB   ILE  88           HB       ILE  88  14.270 -19.524  10.916
  693   HG12  ILE  88          HG12      ILE  88  12.377 -21.842  10.292
  694   HG13  ILE  88          HG13      ILE  88  12.772 -20.573   9.143
  695   HG21  ILE  88          HG21      ILE  88  12.799 -21.390  12.833
  696   HG22  ILE  88          HG22      ILE  88  14.495 -21.612  12.335
  697   HG23  ILE  88          HG23      ILE  88  14.025 -20.183  13.241
  698   HD11  ILE  88          HD13      ILE  88  14.755 -22.540  10.312
  699   HD12  ILE  88          HD11      ILE  88  14.175 -22.420   8.643
  700   HD13  ILE  88          HD12      ILE  88  15.176 -21.121   9.312
  701    H    VAL  89           H        VAL  89  10.717 -18.764  13.413
  702    HA   VAL  89           HA       VAL  89  12.481 -16.726  14.667
  703    HB   VAL  89           HB       VAL  89   9.744 -17.888  15.322
  704   HG11  VAL  89          HG11      VAL  89  10.949 -17.654  17.458
  705   HG12  VAL  89          HG12      VAL  89  11.429 -15.996  17.027
  706   HG13  VAL  89          HG13      VAL  89   9.720 -16.396  17.309
  707   HG21  VAL  89          HG23      VAL  89   9.777 -16.092  13.629
  708   HG22  VAL  89          HG21      VAL  89   8.992 -15.566  15.122
  709   HG23  VAL  89          HG22      VAL  89  10.652 -15.039  14.760
  710    H    TYR  90           H        TYR  90  14.136 -17.564  15.835
  711    HA   TYR  90           HA       TYR  90  14.590 -20.361  15.605
  712    HD1  TYR  90           HD2      TYR  90  16.691 -20.567  14.085
  713    HD2  TYR  90           HD1      TYR  90  16.444 -16.445  15.352
  714    HE1  TYR  90           HE2      TYR  90  17.258 -19.832  11.790
  715    HE2  TYR  90           HE1      TYR  90  17.014 -15.703  13.064
  716    HH   TYR  90           HH       TYR  90  17.523 -16.360  10.886
  717    HB2  TYR  90           HB2      TYR  90  16.230 -18.204  16.979
  718    HB3  TYR  90           HB3      TYR  90  16.804 -19.815  16.569
  719    H    SER  91           H        SER  91  12.683 -19.048  17.925
  720    HA   SER  91           HA       SER  91  13.449 -20.388  20.320
  721    HG   SER  91           HG       SER  91  10.883 -17.909  20.531
  722    HB2  SER  91           HB2      SER  91  10.650 -19.875  19.258
  723    HB3  SER  91           HB3      SER  91  11.123 -20.149  20.937
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -7.224 -12.385   0.043
    2    H2   MET   1           H2       MET   1  -6.427 -13.042  -1.236
    3    H3   MET   1           H3       MET   1  -7.442 -13.958  -0.330
    4    HA   MET   1           HA       MET   1  -5.190 -14.493   0.219
    5    HB2  MET   1           HB2      MET   1  -4.333 -12.187  -0.392
    6    HB3  MET   1           HB3      MET   1  -4.934 -11.608   1.169
    7    HG2  MET   1           HG2      MET   1  -3.391 -13.083   2.339
    8    HG3  MET   1           HG3      MET   1  -2.902 -13.835   0.811
    9    HE1  MET   1           HE3      MET   1  -1.003 -12.583   3.053
   10    HE2  MET   1           HE1      MET   1  -0.377 -13.395   1.597
   11    HE3  MET   1           HE2      MET   1   0.238 -11.789   2.055
   12    H    LEU   2           H        LEU   2  -4.722 -15.241   2.351
   13    HA   LEU   2           HA       LEU   2  -6.781 -14.708   4.427
   14    HG   LEU   2           HG       LEU   2  -6.967 -17.451   5.635
   15    HB2  LEU   2           HB2      LEU   2  -7.414 -16.566   2.754
   16    HB3  LEU   2           HB3      LEU   2  -5.968 -17.415   3.275
   17   HD11  LEU   2          HD11      LEU   2  -8.627 -15.596   5.299
   18   HD12  LEU   2          HD12      LEU   2  -9.496 -16.607   4.136
   19   HD13  LEU   2          HD13      LEU   2  -9.387 -17.091   5.844
   20   HD21  LEU   2          HD23      LEU   2  -8.520 -19.286   5.098
   21   HD22  LEU   2          HD21      LEU   2  -8.517 -18.799   3.392
   22   HD23  LEU   2          HD22      LEU   2  -7.027 -19.403   4.149
   23    H    GLN   3           H        GLN   3  -6.088 -15.519   6.523
   24    HA   GLN   3           HA       GLN   3  -3.181 -16.101   6.823
   25    HB2  GLN   3           HB2      GLN   3  -3.891 -14.014   7.955
   26    HB3  GLN   3           HB3      GLN   3  -5.217 -14.872   8.734
   27    HG2  GLN   3           HG2      GLN   3  -3.555 -16.294   9.950
   28    HG3  GLN   3           HG3      GLN   3  -2.258 -15.364   9.197
   29   HE21  GLN   3          HE22      GLN   3  -2.348 -12.914   9.623
   30   HE22  GLN   3          HE21      GLN   3  -2.807 -12.426  11.259
   31    H    TYR   4           H        TYR   4  -2.720 -18.043   7.721
   32    HA   TYR   4           HA       TYR   4  -4.822 -19.577   9.181
   33    HD1  TYR   4           HD1      TYR   4  -5.885 -19.924   7.174
   34    HD2  TYR   4           HD2      TYR   4  -3.095 -23.205   7.053
   35    HE1  TYR   4           HE1      TYR   4  -7.501 -21.252   5.867
   36    HE2  TYR   4           HE2      TYR   4  -4.710 -24.536   5.730
   37    HH   TYR   4           HH       TYR   4  -6.873 -24.625   4.851
   38    HB2  TYR   4           HB2      TYR   4  -2.479 -20.505   7.478
   39    HB3  TYR   4           HB3      TYR   4  -3.025 -21.454   8.840
   40    H    ARG   5           H        ARG   5  -4.197 -20.234  11.197
   41    HA   ARG   5           HA       ARG   5  -1.359 -19.847  12.048
   42    HE   ARG   5           HE       ARG   5  -0.622 -19.251  17.022
   43    HB2  ARG   5           HB2      ARG   5  -3.009 -18.424  13.397
   44    HB3  ARG   5           HB3      ARG   5  -3.791 -19.934  13.876
   45    HG2  ARG   5           HG2      ARG   5  -1.473 -20.645  14.824
   46    HG3  ARG   5           HG3      ARG   5  -0.995 -18.951  14.563
   47    HD2  ARG   5           HD2      ARG   5  -2.979 -18.259  15.967
   48    HD3  ARG   5           HD3      ARG   5  -3.334 -19.981  16.236
   49   HH11  ARG   5          HH21      ARG   5  -4.004 -19.241  18.163
   50   HH12  ARG   5          HH22      ARG   5  -3.562 -19.236  19.829
   51   HH21  ARG   5          HH11      ARG   5  -0.065 -19.231  19.098
   52   HH22  ARG   5          HH12      ARG   5  -1.227 -19.232  20.416
   53    H    ILE   6           H        ILE   6  -0.480 -21.857  12.800
   54    HA   ILE   6           HA       ILE   6  -2.280 -24.218  12.692
   55    HB   ILE   6           HB       ILE   6   0.482 -24.325  11.494
   56   HG12  ILE   6          HG12      ILE   6  -1.983 -23.738   9.803
   57   HG13  ILE   6          HG13      ILE   6  -0.741 -22.544  10.178
   58   HG21  ILE   6          HG21      ILE   6  -0.725 -26.420  12.099
   59   HG22  ILE   6          HG22      ILE   6  -2.025 -25.975  10.977
   60   HG23  ILE   6          HG23      ILE   6  -0.387 -26.322  10.379
   61   HD11  ILE   6          HD13      ILE   6  -0.408 -23.413   7.964
   62   HD12  ILE   6          HD11      ILE   6   0.959 -23.838   9.011
   63   HD13  ILE   6          HD12      ILE   6  -0.247 -25.064   8.569
   64    H    ILE   7           H        ILE   7  -1.694 -25.788  14.200
   65    HA   ILE   7           HA       ILE   7   0.688 -25.317  15.916
   66    HB   ILE   7           HB       ILE   7  -2.130 -25.990  16.868
   67   HG12  ILE   7          HG12      ILE   7  -2.043 -23.591  16.261
   68   HG13  ILE   7          HG13      ILE   7  -2.292 -23.861  17.967
   69   HG21  ILE   7          HG21      ILE   7   0.460 -25.574  18.416
   70   HG22  ILE   7          HG22      ILE   7  -1.154 -25.690  19.156
   71   HG23  ILE   7          HG23      ILE   7  -0.490 -27.067  18.269
   72   HD11  ILE   7          HD13      ILE   7  -0.729 -21.984  17.437
   73   HD12  ILE   7          HD11      ILE   7  -0.017 -23.210  18.502
   74   HD13  ILE   7          HD12      ILE   7   0.420 -23.158  16.783
   75    H    VAL   8           H        VAL   8   1.720 -27.306  16.374
   76    HA   VAL   8           HA       VAL   8   0.463 -29.774  15.275
   77    HB   VAL   8           HB       VAL   8   3.341 -29.296  14.650
   78   HG11  VAL   8          HG11      VAL   8   2.778 -30.498  12.599
   79   HG12  VAL   8          HG12      VAL   8   2.216 -31.363  14.036
   80   HG13  VAL   8          HG13      VAL   8   1.055 -30.463  13.036
   81   HG21  VAL   8          HG23      VAL   8   2.970 -28.080  12.580
   82   HG22  VAL   8          HG21      VAL   8   1.240 -27.893  12.950
   83   HG23  VAL   8          HG22      VAL   8   2.485 -27.082  13.935
   84    H    ASP   9           H        ASP   9   1.282 -31.726  16.220
   85    HA   ASP   9           HA       ASP   9   3.343 -31.490  18.328
   86    HB2  ASP   9           HB2      ASP   9   1.083 -31.185  19.405
   87    HB3  ASP   9           HB3      ASP   9   0.601 -32.734  18.729
   88    H    GLY  10           H        GLY  10   4.204 -33.594  18.928
   89    HA2  GLY  10           HA2      GLY  10   3.878 -36.097  18.385
   90    HA3  GLY  10           HA3      GLY  10   4.118 -35.573  16.712
   91    H    ARG  11           H        ARG  11   6.014 -36.831  16.587
   92    HA   ARG  11           HA       ARG  11   8.475 -35.924  17.961
   93    HE   ARG  11           HE       ARG  11  11.655 -38.248  13.893
   94    HB2  ARG  11           HB2      ARG  11   8.327 -38.278  17.253
   95    HB3  ARG  11           HB3      ARG  11   7.965 -37.777  15.599
   96    HG2  ARG  11           HG2      ARG  11  10.215 -36.674  15.473
   97    HG3  ARG  11           HG3      ARG  11  10.585 -37.286  17.091
   98    HD2  ARG  11           HD2      ARG  11  10.548 -39.567  16.325
   99    HD3  ARG  11           HD3      ARG  11   9.716 -39.128  14.831
  100   HH11  ARG  11          HH11      ARG  11  12.424 -39.569  17.109
  101   HH12  ARG  11          HH12      ARG  11  14.125 -39.550  16.834
  102   HH21  ARG  11          HH21      ARG  11  13.788 -38.191  13.548
  103   HH22  ARG  11          HH22      ARG  11  14.949 -38.762  14.713
  104    H    VAL  12           H        VAL  12   8.032 -33.673  17.548
  105    HA   VAL  12           HA       VAL  12   8.544 -32.811  14.745
  106    HB   VAL  12           HB       VAL  12   6.864 -31.068  15.001
  107   HG11  VAL  12          HG11      VAL  12   6.180 -33.236  14.032
  108   HG12  VAL  12          HG12      VAL  12   5.617 -33.769  15.624
  109   HG13  VAL  12          HG13      VAL  12   4.851 -32.382  14.839
  110   HG21  VAL  12          HG23      VAL  12   6.904 -30.783  17.487
  111   HG22  VAL  12          HG21      VAL  12   5.273 -30.976  16.839
  112   HG23  VAL  12          HG22      VAL  12   6.067 -32.329  17.663
  113    H    GLN  13           H        GLN  13  10.319 -33.028  17.261
  114    HA   GLN  13           HA       GLN  13  11.420 -30.295  17.053
  115    HB2  GLN  13           HB2      GLN  13  11.222 -31.728  19.736
  116    HB3  GLN  13           HB3      GLN  13  11.819 -30.104  19.393
  117    HG2  GLN  13           HG2      GLN  13   9.373 -29.653  18.578
  118    HG3  GLN  13           HG3      GLN  13   8.960 -31.094  19.491
  119   HE21  GLN  13          HE22      GLN  13   8.862 -27.883  19.736
  120   HE22  GLN  13          HE21      GLN  13   9.132 -27.629  21.451
  121    H    GLY  14           H        GLY  14  13.662 -30.285  17.108
  122    HA2  GLY  14           HA2      GLY  14  15.807 -31.060  17.254
  123    HA3  GLY  14           HA3      GLY  14  15.258 -32.487  18.157
  124    H    VAL  15           H        VAL  15  13.972 -31.455  14.989
  125    HA   VAL  15           HA       VAL  15  15.246 -33.811  13.666
  126    HB   VAL  15           HB       VAL  15  13.009 -34.341  12.658
  127   HG11  VAL  15          HG11      VAL  15  14.001 -35.694  14.463
  128   HG12  VAL  15          HG12      VAL  15  13.153 -34.710  15.671
  129   HG13  VAL  15          HG13      VAL  15  12.231 -35.682  14.509
  130   HG21  VAL  15          HG23      VAL  15  11.766 -32.295  13.131
  131   HG22  VAL  15          HG21      VAL  15  10.962 -33.675  13.892
  132   HG23  VAL  15          HG22      VAL  15  11.912 -32.557  14.880
  133    H    GLY  16           H        GLY  16  14.304 -30.488  13.520
  134    HA2  GLY  16           HA2      GLY  16  15.326 -29.072  11.905
  135    HA3  GLY  16           HA3      GLY  16  15.210 -30.350  10.680
  136    H    PHE  17           H        PHE  17  12.568 -29.681  13.034
  137    HA   PHE  17           HA       PHE  17  10.727 -29.794  10.824
  138    HD1  PHE  17           HD1      PHE  17   7.917 -27.959  12.068
  139    HD2  PHE  17           HD2      PHE  17   9.036 -32.104  12.424
  140    HE1  PHE  17           HE1      PHE  17   5.674 -28.637  11.244
  141    HE2  PHE  17           HE2      PHE  17   6.789 -32.780  11.606
  142    HZ   PHE  17           HZ       PHE  17   5.105 -31.048  11.011
  143    HB2  PHE  17           HB2      PHE  17  10.419 -30.421  13.372
  144    HB3  PHE  17           HB3      PHE  17   9.899 -28.752  13.525
  145    H    ARG  18           H        ARG  18  11.975 -27.080  12.866
  146    HA   ARG  18           HA       ARG  18  10.487 -24.994  11.643
  147    HE   ARG  18           HE       ARG  18  12.904 -25.824  15.351
  148    HB2  ARG  18           HB2      ARG  18  13.248 -25.160  12.892
  149    HB3  ARG  18           HB3      ARG  18  12.704 -23.654  12.149
  150    HG2  ARG  18           HG2      ARG  18  10.881 -23.395  13.614
  151    HG3  ARG  18           HG3      ARG  18  10.962 -25.056  14.199
  152    HD2  ARG  18           HD2      ARG  18  13.257 -23.104  14.635
  153    HD3  ARG  18           HD3      ARG  18  11.853 -23.161  15.715
  154   HH11  ARG  18          HH21      ARG  18  13.561 -22.770  17.091
  155   HH12  ARG  18          HH22      ARG  18  14.292 -23.553  18.445
  156   HH21  ARG  18          HH11      ARG  18  13.869 -26.844  17.106
  157   HH22  ARG  18          HH12      ARG  18  14.503 -25.919  18.449
  158    H    TYR  19           H        TYR  19  13.605 -26.433  10.510
  159    HA   TYR  19           HA       TYR  19  13.833 -24.645   8.287
  160    HD1  TYR  19           HD2      TYR  19  16.406 -24.083   7.648
  161    HD2  TYR  19           HD1      TYR  19  16.122 -26.697  11.072
  162    HE1  TYR  19           HE2      TYR  19  18.027 -22.660   8.857
  163    HE2  TYR  19           HE1      TYR  19  17.743 -25.278  12.292
  164    HH   TYR  19           HH       TYR  19  19.213 -22.333  10.838
  165    HB2  TYR  19           HB2      TYR  19  15.088 -27.332   8.963
  166    HB3  TYR  19           HB3      TYR  19  15.454 -26.445   7.500
  167    H    PHE  20           H        PHE  20  12.444 -27.943   8.631
  168    HA   PHE  20           HA       PHE  20  11.780 -28.339   5.916
  169    HD1  PHE  20           HD1      PHE  20  10.797 -30.722   5.058
  170    HD2  PHE  20           HD2      PHE  20   8.179 -29.584   8.300
  171    HE1  PHE  20           HE1      PHE  20   8.880 -31.786   3.894
  172    HE2  PHE  20           HE2      PHE  20   6.271 -30.642   7.124
  173    HZ   PHE  20           HZ       PHE  20   6.617 -31.750   4.929
  174    HB2  PHE  20           HB2      PHE  20  11.632 -30.132   7.492
  175    HB3  PHE  20           HB3      PHE  20  10.507 -29.256   8.515
  176    H    VAL  21           H        VAL  21   9.751 -26.834   8.536
  177    HA   VAL  21           HA       VAL  21   7.616 -26.167   6.786
  178    HB   VAL  21           HB       VAL  21   8.519 -25.000   9.442
  179   HG11  VAL  21          HG11      VAL  21   6.222 -24.099   9.668
  180   HG12  VAL  21          HG12      VAL  21   7.056 -23.350   8.306
  181   HG13  VAL  21          HG13      VAL  21   5.854 -24.629   8.016
  182   HG21  VAL  21          HG23      VAL  21   7.809 -27.406   9.499
  183   HG22  VAL  21          HG21      VAL  21   6.662 -26.371  10.354
  184   HG23  VAL  21          HG22      VAL  21   6.289 -26.969   8.721
  185    H    GLN  22           H        GLN  22  10.601 -24.324   7.634
  186    HA   GLN  22           HA       GLN  22  10.002 -21.904   6.290
  187    HB2  GLN  22           HB2      GLN  22  11.906 -22.287   7.833
  188    HB3  GLN  22           HB3      GLN  22  12.657 -23.328   6.635
  189    HG2  GLN  22           HG2      GLN  22  13.751 -21.264   6.429
  190    HG3  GLN  22           HG3      GLN  22  12.685 -21.408   5.033
  191   HE21  GLN  22          HE22      GLN  22  12.906 -19.058   4.791
  192   HE22  GLN  22          HE21      GLN  22  11.894 -18.012   5.774
  193    H    MET  23           H        MET  23  11.517 -24.938   5.033
  194    HA   MET  23           HA       MET  23  11.809 -23.867   2.367
  195    HB2  MET  23           HB2      MET  23  11.836 -26.718   3.469
  196    HB3  MET  23           HB3      MET  23  12.184 -26.313   1.783
  197    HG2  MET  23           HG2      MET  23  14.111 -24.996   2.403
  198    HG3  MET  23           HG3      MET  23  13.719 -25.116   4.114
  199    HE1  MET  23           HE3      MET  23  15.374 -28.627   1.565
  200    HE2  MET  23           HE1      MET  23  13.696 -28.080   1.385
  201    HE3  MET  23           HE2      MET  23  15.038 -26.997   0.941
  202    H    GLU  24           H        GLU  24   9.247 -25.912   3.915
  203    HA   GLU  24           HA       GLU  24   7.844 -26.329   1.470
  204    HB2  GLU  24           HB2      GLU  24   6.984 -26.477   4.384
  205    HB3  GLU  24           HB3      GLU  24   5.941 -26.919   3.037
  206    HG2  GLU  24           HG2      GLU  24   8.606 -28.255   3.680
  207    HG3  GLU  24           HG3      GLU  24   7.008 -28.884   4.055
  208    H    ALA  25           H        ALA  25   7.710 -23.688   3.871
  209    HA   ALA  25           HA       ALA  25   5.483 -22.327   2.631
  210    HB1  ALA  25           HB3      ALA  25   6.215 -21.808   4.933
  211    HB2  ALA  25           HB1      ALA  25   7.798 -21.278   4.327
  212    HB3  ALA  25           HB2      ALA  25   6.336 -20.372   3.901
  213    H    ASP  26           H        ASP  26   9.064 -22.244   2.212
  214    HA   ASP  26           HA       ASP  26   9.145 -20.031   0.478
  215    HB2  ASP  26           HB2      ASP  26  11.123 -21.168   1.655
  216    HB3  ASP  26           HB3      ASP  26  11.088 -22.370   0.374
  217    H    LYS  27           H        LYS  27   8.936 -23.555  -0.313
  218    HA   LYS  27           HA       LYS  27   8.841 -23.011  -3.122
  219    HB2  LYS  27           HB2      LYS  27   8.451 -25.342  -3.481
  220    HB3  LYS  27           HB3      LYS  27   9.677 -25.098  -2.258
  221    HG2  LYS  27           HG2      LYS  27   8.524 -26.834  -1.351
  222    HG3  LYS  27           HG3      LYS  27   7.748 -25.478  -0.538
  223    HD2  LYS  27           HD2      LYS  27   5.859 -25.601  -2.133
  224    HD3  LYS  27           HD3      LYS  27   6.646 -26.916  -3.006
  225    HE2  LYS  27           HE2      LYS  27   5.751 -26.990  -0.085
  226    HE3  LYS  27           HE3      LYS  27   4.828 -27.648  -1.438
  227    HZ1  LYS  27           HZ3      LYS  27   7.507 -28.591  -0.580
  228    HZ2  LYS  27           HZ1      LYS  27   6.140 -29.326  -0.257
  229    HZ3  LYS  27           HZ2      LYS  27   6.624 -29.232  -1.838
  230    H    ARG  28           H        ARG  28   6.447 -22.296  -0.876
  231    HA   ARG  28           HA       ARG  28   4.397 -22.162  -3.045
  232    HE   ARG  28           HE       ARG  28   4.551 -24.109  -3.279
  233    HB2  ARG  28           HB2      ARG  28   4.171 -22.179   0.001
  234    HB3  ARG  28           HB3      ARG  28   2.841 -21.853  -1.085
  235    HG2  ARG  28           HG2      ARG  28   4.308 -24.500  -0.810
  236    HG3  ARG  28           HG3      ARG  28   2.736 -24.092  -0.156
  237    HD2  ARG  28           HD2      ARG  28   2.305 -25.415  -2.056
  238    HD3  ARG  28           HD3      ARG  28   1.884 -23.757  -2.518
  239   HH11  ARG  28          HH11      ARG  28   1.482 -25.640  -4.208
  240   HH12  ARG  28          HH12      ARG  28   2.022 -26.022  -5.800
  241   HH21  ARG  28          HH21      ARG  28   5.251 -24.571  -5.298
  242   HH22  ARG  28          HH22      ARG  28   4.252 -25.400  -6.449
  243    H    LYS  29           H        LYS  29   6.826 -20.364  -1.775
  244    HA   LYS  29           HA       LYS  29   7.218 -18.255  -1.162
  245    HB2  LYS  29           HB2      LYS  29   5.441 -17.655  -3.553
  246    HB3  LYS  29           HB3      LYS  29   6.657 -16.576  -2.872
  247    HG2  LYS  29           HG2      LYS  29   7.236 -19.288  -4.141
  248    HG3  LYS  29           HG3      LYS  29   7.405 -17.735  -4.943
  249    HD2  LYS  29           HD2      LYS  29   9.233 -17.064  -3.533
  250    HD3  LYS  29           HD3      LYS  29   8.975 -18.413  -2.421
  251    HE2  LYS  29           HE2      LYS  29   9.411 -20.003  -4.340
  252    HE3  LYS  29           HE3      LYS  29   9.874 -18.604  -5.321
  253    HZ1  LYS  29           HZ3      LYS  29  11.818 -19.574  -4.396
  254    HZ2  LYS  29           HZ1      LYS  29  11.606 -18.173  -3.590
  255    HZ3  LYS  29           HZ2      LYS  29  11.231 -19.616  -2.879
  256    H    LEU  30           H        LEU  30   5.350 -19.299   0.504
  257    HA   LEU  30           HA       LEU  30   3.196 -17.387   1.012
  258    HG   LEU  30           HG       LEU  30   2.944 -20.358   0.777
  259    HB2  LEU  30           HB2      LEU  30   4.489 -19.638   2.616
  260    HB3  LEU  30           HB3      LEU  30   3.207 -18.629   3.263
  261   HD11  LEU  30          HD11      LEU  30   3.154 -21.711   2.820
  262   HD12  LEU  30          HD12      LEU  30   1.853 -20.782   3.586
  263   HD13  LEU  30          HD13      LEU  30   1.512 -21.793   2.165
  264   HD21  LEU  30          HD23      LEU  30   1.408 -18.524   0.560
  265   HD22  LEU  30          HD21      LEU  30   0.475 -19.910   1.113
  266   HD23  LEU  30          HD22      LEU  30   0.932 -18.643   2.271
  267    H    ALA  31           H        ALA  31   3.179 -16.260   3.180
  268    HA   ALA  31           HA       ALA  31   5.851 -15.303   4.042
  269    HB1  ALA  31           HB3      ALA  31   3.358 -13.575   3.710
  270    HB2  ALA  31           HB1      ALA  31   4.983 -13.054   4.218
  271    HB3  ALA  31           HB2      ALA  31   4.722 -13.599   2.562
  272    H    GLY  32           H        GLY  32   5.835 -14.790   6.428
  273    HA2  GLY  32           HA2      GLY  32   3.871 -15.089   8.301
  274    HA3  GLY  32           HA3      GLY  32   4.036 -16.723   7.673
  275    H    TRP  33           H        TRP  33   4.630 -17.362   9.839
  276    HA   TRP  33           HA       TRP  33   7.486 -17.318  10.051
  277    HD1  TRP  33           HD1      TRP  33   5.265 -18.504  13.357
  278    HE1  TRP  33           HE1      TRP  33   3.452 -17.646  14.906
  279    HE3  TRP  33           HE3      TRP  33   5.860 -13.473  12.579
  280    HZ2  TRP  33           HZ2      TRP  33   2.431 -15.092  15.804
  281    HZ3  TRP  33           HZ3      TRP  33   4.468 -11.850  13.829
  282    HH2  TRP  33           HH2      TRP  33   2.747 -12.645  15.440
  283    HB2  TRP  33           HB2      TRP  33   7.625 -16.793  12.402
  284    HB3  TRP  33           HB3      TRP  33   6.929 -15.459  11.523
  285    H    VAL  34           H        VAL  34   8.324 -18.954  11.581
  286    HA   VAL  34           HA       VAL  34   6.356 -20.906  12.588
  287    HB   VAL  34           HB       VAL  34   7.136 -21.929  10.541
  288   HG11  VAL  34          HG11      VAL  34   9.321 -20.779  10.234
  289   HG12  VAL  34          HG12      VAL  34   9.991 -21.729  11.575
  290   HG13  VAL  34          HG13      VAL  34   9.454 -22.535  10.090
  291   HG21  VAL  34          HG23      VAL  34   7.935 -24.052  11.411
  292   HG22  VAL  34          HG21      VAL  34   8.517 -23.292  12.892
  293   HG23  VAL  34          HG22      VAL  34   6.780 -23.364  12.556
  294    H    LYS  35           H        LYS  35   6.949 -21.783  14.581
  295    HA   LYS  35           HA       LYS  35   9.630 -21.261  15.646
  296    HB2  LYS  35           HB2      LYS  35   8.838 -20.353  17.744
  297    HB3  LYS  35           HB3      LYS  35   8.312 -19.323  16.418
  298    HG2  LYS  35           HG2      LYS  35   6.021 -20.347  16.548
  299    HG3  LYS  35           HG3      LYS  35   6.582 -21.378  17.871
  300    HD2  LYS  35           HD2      LYS  35   5.402 -19.588  18.875
  301    HD3  LYS  35           HD3      LYS  35   7.117 -19.313  19.200
  302    HE2  LYS  35           HE2      LYS  35   7.163 -17.704  17.248
  303    HE3  LYS  35           HE3      LYS  35   5.421 -17.946  17.052
  304    HZ1  LYS  35           HZ3      LYS  35   5.157 -17.080  19.334
  305    HZ2  LYS  35           HZ1      LYS  35   6.781 -16.820  19.440
  306    HZ3  LYS  35           HZ2      LYS  35   5.874 -15.979  18.362
  307    H    ASN  36           H        ASN  36   9.962 -22.642  17.637
  308    HA   ASN  36           HA       ASN  36   8.137 -24.984  17.687
  309    HB2  ASN  36           HB2      ASN  36  10.443 -25.240  16.399
  310    HB3  ASN  36           HB3      ASN  36  11.098 -25.430  18.032
  311   HD21  ASN  36          HD22      ASN  36  11.203 -27.581  16.064
  312   HD22  ASN  36          HD21      ASN  36   9.985 -28.758  16.496
  313    H    ARG  37           H        ARG  37   7.360 -25.235  19.700
  314    HA   ARG  37           HA       ARG  37   8.157 -23.086  21.522
  315    HE   ARG  37           HE       ARG  37   3.486 -23.812  22.511
  316    HB2  ARG  37           HB2      ARG  37   5.777 -25.004  21.510
  317    HB3  ARG  37           HB3      ARG  37   5.964 -23.610  22.571
  318    HG2  ARG  37           HG2      ARG  37   5.816 -22.065  20.695
  319    HG3  ARG  37           HG3      ARG  37   5.862 -23.387  19.519
  320    HD2  ARG  37           HD2      ARG  37   3.577 -22.494  19.853
  321    HD3  ARG  37           HD3      ARG  37   3.720 -24.219  20.198
  322   HH11  ARG  37          HH21      ARG  37   2.991 -20.720  20.702
  323   HH12  ARG  37          HH22      ARG  37   2.636 -19.862  22.157
  324   HH21  ARG  37          HH11      ARG  37   2.979 -22.712  24.263
  325   HH22  ARG  37          HH12      ARG  37   2.537 -21.017  24.250
  326    H    ASP  38           H        ASP  38   8.452 -23.366  23.803
  327    HA   ASP  38           HA       ASP  38  10.001 -25.632  24.555
  328    HB2  ASP  38           HB2      ASP  38  10.268 -23.431  25.603
  329    HB3  ASP  38           HB3      ASP  38   8.623 -23.505  26.242
  330    H    ASP  39           H        ASP  39   6.551 -24.965  24.841
  331    HA   ASP  39           HA       ASP  39   5.949 -27.126  26.601
  332    HB2  ASP  39           HB2      ASP  39   3.652 -26.767  26.104
  333    HB3  ASP  39           HB3      ASP  39   4.452 -25.218  26.290
  334    H    GLY  40           H        GLY  40   7.057 -27.253  23.401
  335    HA2  GLY  40           HA2      GLY  40   7.731 -29.401  22.643
  336    HA3  GLY  40           HA3      GLY  40   6.228 -30.107  23.218
  337    H    ARG  41           H        ARG  41   4.792 -27.566  21.970
  338    HA   ARG  41           HA       ARG  41   4.192 -28.993  19.499
  339    HE   ARG  41           HE       ARG  41   2.038 -26.391  22.709
  340    HB2  ARG  41           HB2      ARG  41   3.136 -26.410  20.719
  341    HB3  ARG  41           HB3      ARG  41   2.488 -27.151  19.256
  342    HG2  ARG  41           HG2      ARG  41   1.816 -29.154  20.440
  343    HG3  ARG  41           HG3      ARG  41   2.596 -28.626  21.934
  344    HD2  ARG  41           HD2      ARG  41   0.266 -27.208  20.600
  345    HD3  ARG  41           HD3      ARG  41   0.147 -28.316  21.979
  346   HH11  ARG  41          HH21      ARG  41  -1.445 -26.456  21.938
  347   HH12  ARG  41          HH22      ARG  41  -1.829 -25.076  22.896
  348   HH21  ARG  41          HH11      ARG  41   1.529 -24.576  23.979
  349   HH22  ARG  41          HH12      ARG  41  -0.103 -23.983  24.108
  350    H    VAL  42           H        VAL  42   4.190 -28.008  17.452
  351    HA   VAL  42           HA       VAL  42   6.217 -25.863  16.964
  352    HB   VAL  42           HB       VAL  42   4.698 -27.695  15.068
  353   HG11  VAL  42          HG11      VAL  42   6.077 -26.744  13.241
  354   HG12  VAL  42          HG12      VAL  42   4.995 -25.546  13.939
  355   HG13  VAL  42          HG13      VAL  42   6.721 -25.529  14.367
  356   HG21  VAL  42          HG23      VAL  42   7.696 -27.527  15.524
  357   HG22  VAL  42          HG21      VAL  42   6.656 -28.739  16.287
  358   HG23  VAL  42          HG22      VAL  42   6.819 -28.702  14.532
  359    H    GLU  43           H        GLU  43   5.423 -23.894  16.084
  360    HA   GLU  43           HA       GLU  43   2.500 -23.636  15.706
  361    HB2  GLU  43           HB2      GLU  43   2.707 -22.730  17.850
  362    HB3  GLU  43           HB3      GLU  43   4.251 -21.937  17.499
  363    HG2  GLU  43           HG2      GLU  43   3.175 -20.283  16.096
  364    HG3  GLU  43           HG3      GLU  43   1.637 -21.152  16.162
  365    H    ILE  44           H        ILE  44   1.976 -22.341  13.999
  366    HA   ILE  44           HA       ILE  44   4.129 -21.079  12.417
  367    HB   ILE  44           HB       ILE  44   1.956 -22.763  11.170
  368   HG12  ILE  44          HG12      ILE  44   4.661 -23.911  11.964
  369   HG13  ILE  44          HG13      ILE  44   3.100 -24.380  12.641
  370   HG21  ILE  44          HG21      ILE  44   3.515 -22.835   9.259
  371   HG22  ILE  44          HG22      ILE  44   3.250 -21.174   9.751
  372   HG23  ILE  44          HG23      ILE  44   4.744 -22.004  10.228
  373   HD11  ILE  44          HD13      ILE  44   2.376 -25.209  10.418
  374   HD12  ILE  44          HD11      ILE  44   4.006 -24.899   9.793
  375   HD13  ILE  44          HD12      ILE  44   3.775 -26.061  11.100
  376    H    LEU  45           H        LEU  45   3.289 -19.354  11.143
  377    HA   LEU  45           HA       LEU  45   0.382 -18.854  11.125
  378    HG   LEU  45           HG       LEU  45  -0.606 -16.641  11.844
  379    HB2  LEU  45           HB2      LEU  45   1.444 -17.489  12.973
  380    HB3  LEU  45           HB3      LEU  45   2.451 -16.696  11.764
  381   HD11  LEU  45          HD11      LEU  45   1.420 -14.528  12.698
  382   HD12  LEU  45          HD12      LEU  45  -0.351 -14.349  12.705
  383   HD13  LEU  45          HD13      LEU  45   0.423 -15.514  13.785
  384   HD21  LEU  45          HD23      LEU  45   1.420 -15.184  10.084
  385   HD22  LEU  45          HD21      LEU  45  -0.012 -16.114   9.586
  386   HD23  LEU  45          HD22      LEU  45  -0.217 -14.552  10.355
  387    H    ALA  46           H        ALA  46  -0.114 -18.504   8.932
  388    HA   ALA  46           HA       ALA  46   2.080 -17.671   7.125
  389    HB1  ALA  46           HB3      ALA  46   0.409 -20.190   6.732
  390    HB2  ALA  46           HB1      ALA  46   1.522 -19.477   5.541
  391    HB3  ALA  46           HB2      ALA  46   2.159 -20.108   7.069
  392    H    GLU  47           H        GLU  47   1.365 -16.621   5.305
  393    HA   GLU  47           HA       GLU  47  -1.513 -15.941   5.160
  394    HB2  GLU  47           HB2      GLU  47   0.796 -13.941   5.058
  395    HB3  GLU  47           HB3      GLU  47  -0.945 -13.607   5.031
  396    HG2  GLU  47           HG2      GLU  47  -1.010 -14.802   7.333
  397    HG3  GLU  47           HG3      GLU  47   0.743 -14.591   7.356
  398    H    GLY  48           H        GLY  48  -2.257 -15.983   3.082
  399    HA2  GLY  48           HA2      GLY  48  -0.872 -15.486   0.672
  400    HA3  GLY  48           HA3      GLY  48  -0.585 -17.174   1.113
  401    HA   PRO  49           HA       PRO  49  -4.754 -17.048  -0.944
  402    HB2  PRO  49           HB2      PRO  49  -4.278 -18.848  -2.953
  403    HB3  PRO  49           HB3      PRO  49  -3.925 -17.100  -3.101
  404    HG2  PRO  49           HG2      PRO  49  -2.015 -19.342  -2.449
  405    HG3  PRO  49           HG3      PRO  49  -1.775 -17.979  -3.579
  406    HD2  PRO  49           HD2      PRO  49  -0.790 -18.001  -1.004
  407    HD3  PRO  49           HD3      PRO  49  -1.282 -16.495  -1.833
  408    H    GLU  50           H        GLU  50  -6.311 -18.653  -0.631
  409    HA   GLU  50           HA       GLU  50  -5.906 -20.313   1.581
  410    HB2  GLU  50           HB2      GLU  50  -8.041 -19.277   0.828
  411    HB3  GLU  50           HB3      GLU  50  -8.104 -20.407  -0.531
  412    HG2  GLU  50           HG2      GLU  50  -8.199 -22.302   1.099
  413    HG3  GLU  50           HG3      GLU  50  -8.193 -21.148   2.429
  414    H    ASN  51           H        ASN  51  -5.694 -21.143  -1.905
  415    HA   ASN  51           HA       ASN  51  -5.710 -23.997  -1.478
  416    HB2  ASN  51           HB2      ASN  51  -6.203 -23.065  -3.691
  417    HB3  ASN  51           HB3      ASN  51  -4.602 -22.319  -3.773
  418   HD21  ASN  51          HD22      ASN  51  -6.255 -25.537  -3.576
  419   HD22  ASN  51          HD21      ASN  51  -4.957 -26.414  -4.336
  420    H    ALA  52           H        ALA  52  -3.111 -21.571  -1.564
  421    HA   ALA  52           HA       ALA  52  -0.965 -23.525  -1.407
  422    HB1  ALA  52           HB3      ALA  52  -0.995 -20.560  -0.689
  423    HB2  ALA  52           HB1      ALA  52   0.443 -21.587  -0.826
  424    HB3  ALA  52           HB2      ALA  52  -0.535 -21.257  -2.266
  425    H    LEU  53           H        LEU  53  -2.827 -21.548   0.946
  426    HA   LEU  53           HA       LEU  53  -1.443 -22.386   3.289
  427    HG   LEU  53           HG       LEU  53  -2.382 -20.625   5.110
  428    HB2  LEU  53           HB2      LEU  53  -3.986 -21.023   2.569
  429    HB3  LEU  53           HB3      LEU  53  -4.073 -21.903   4.071
  430   HD11  LEU  53          HD11      LEU  53  -1.725 -19.423   2.395
  431   HD12  LEU  53          HD12      LEU  53  -1.132 -18.791   3.950
  432   HD13  LEU  53          HD13      LEU  53  -0.657 -20.404   3.436
  433   HD21  LEU  53          HD23      LEU  53  -4.608 -19.513   4.820
  434   HD22  LEU  53          HD21      LEU  53  -3.278 -18.352   4.955
  435   HD23  LEU  53          HD22      LEU  53  -3.991 -18.709   3.363
  436    H    GLN  54           H        GLN  54  -4.316 -23.835   1.673
  437    HA   GLN  54           HA       GLN  54  -4.649 -25.999   3.497
  438    HB2  GLN  54           HB2      GLN  54  -5.275 -25.556   0.558
  439    HB3  GLN  54           HB3      GLN  54  -5.600 -27.106   1.310
  440    HG2  GLN  54           HG2      GLN  54  -7.105 -26.130   2.935
  441    HG3  GLN  54           HG3      GLN  54  -6.703 -24.492   2.397
  442   HE21  GLN  54          HE22      GLN  54  -7.176 -23.939   0.142
  443   HE22  GLN  54          HE21      GLN  54  -8.575 -24.652  -0.661
  444    H    SER  55           H        SER  55  -2.756 -25.847   0.410
  445    HA   SER  55           HA       SER  55  -1.794 -28.510   0.595
  446    HG   SER  55           HG       SER  55  -2.492 -26.188  -1.532
  447    HB2  SER  55           HB2      SER  55  -0.434 -26.113  -0.727
  448    HB3  SER  55           HB3      SER  55  -0.200 -27.825  -1.123
  449    H    PHE  56           H        PHE  56  -0.497 -25.460   1.920
  450    HA   PHE  56           HA       PHE  56   1.948 -26.494   2.905
  451    HD1  PHE  56           HD1      PHE  56   3.864 -25.112   3.605
  452    HD2  PHE  56           HD2      PHE  56   0.684 -23.087   5.714
  453    HE1  PHE  56           HE1      PHE  56   5.491 -24.293   5.291
  454    HE2  PHE  56           HE2      PHE  56   2.310 -22.297   7.393
  455    HZ   PHE  56           HZ       PHE  56   4.724 -22.837   7.151
  456    HB2  PHE  56           HB2      PHE  56   1.503 -24.142   2.542
  457    HB3  PHE  56           HB3      PHE  56   0.199 -24.151   3.719
  458    H    VAL  57           H        VAL  57  -1.361 -26.259   4.463
  459    HA   VAL  57           HA       VAL  57  -0.529 -27.445   6.911
  460    HB   VAL  57           HB       VAL  57  -3.194 -27.270   5.484
  461   HG11  VAL  57          HG11      VAL  57  -3.328 -29.411   6.674
  462   HG12  VAL  57          HG12      VAL  57  -2.694 -28.654   8.152
  463   HG13  VAL  57          HG13      VAL  57  -4.287 -28.187   7.514
  464   HG21  VAL  57          HG23      VAL  57  -3.734 -25.825   7.384
  465   HG22  VAL  57          HG21      VAL  57  -2.186 -26.191   8.151
  466   HG23  VAL  57          HG22      VAL  57  -2.224 -25.271   6.630
  467    H    GLU  58           H        GLU  58  -1.603 -28.980   3.803
  468    HA   GLU  58           HA       GLU  58  -1.453 -31.621   4.802
  469    HB2  GLU  58           HB2      GLU  58  -0.999 -30.631   1.964
  470    HB3  GLU  58           HB3      GLU  58  -1.203 -32.317   2.418
  471    HG2  GLU  58           HG2      GLU  58  -3.292 -30.140   2.842
  472    HG3  GLU  58           HG3      GLU  58  -3.262 -31.272   1.510
  473    H    ALA  59           H        ALA  59   1.107 -29.566   3.448
  474    HA   ALA  59           HA       ALA  59   3.177 -31.533   3.538
  475    HB1  ALA  59           HB3      ALA  59   4.712 -29.609   3.489
  476    HB2  ALA  59           HB1      ALA  59   3.426 -29.443   2.273
  477    HB3  ALA  59           HB2      ALA  59   3.372 -28.497   3.781
  478    H    VAL  60           H        VAL  60   2.015 -29.135   5.962
  479    HA   VAL  60           HA       VAL  60   4.033 -29.686   7.896
  480    HB   VAL  60           HB       VAL  60   1.257 -28.460   8.066
  481   HG11  VAL  60          HG11      VAL  60   1.791 -29.377  10.305
  482   HG12  VAL  60          HG12      VAL  60   3.365 -28.566  10.262
  483   HG13  VAL  60          HG13      VAL  60   1.857 -27.618  10.297
  484   HG21  VAL  60          HG23      VAL  60   3.164 -27.228   6.839
  485   HG22  VAL  60          HG21      VAL  60   2.426 -26.358   8.183
  486   HG23  VAL  60          HG22      VAL  60   3.999 -27.160   8.385
  487    H    LYS  61           H        LYS  61   0.665 -31.062   7.524
  488    HA   LYS  61           HA       LYS  61   1.097 -32.776   9.782
  489    HB2  LYS  61           HB2      LYS  61  -0.899 -34.028   9.101
  490    HB3  LYS  61           HB3      LYS  61  -1.155 -32.305   9.286
  491    HG2  LYS  61           HG2      LYS  61  -1.657 -31.951   7.107
  492    HG3  LYS  61           HG3      LYS  61  -0.542 -33.196   6.523
  493    HD2  LYS  61           HD2      LYS  61  -2.682 -33.979   5.959
  494    HD3  LYS  61           HD3      LYS  61  -2.148 -34.952   7.315
  495    HE2  LYS  61           HE2      LYS  61  -4.473 -34.420   7.601
  496    HE3  LYS  61           HE3      LYS  61  -3.569 -33.564   8.852
  497    HZ1  LYS  61           HZ3      LYS  61  -3.864 -31.539   7.659
  498    HZ2  LYS  61           HZ1      LYS  61  -4.373 -32.282   6.291
  499    HZ3  LYS  61           HZ2      LYS  61  -5.329 -32.261   7.631
  500    H    ASN  62           H        ASN  62   1.968 -33.210   6.353
  501    HA   ASN  62           HA       ASN  62   2.582 -35.986   6.549
  502    HB2  ASN  62           HB2      ASN  62   2.634 -34.717   4.407
  503    HB3  ASN  62           HB3      ASN  62   4.067 -33.849   4.958
  504   HD21  ASN  62          HD22      ASN  62   6.140 -35.106   5.258
  505   HD22  ASN  62          HD21      ASN  62   6.306 -36.597   4.371
  506    H    GLY  63           H        GLY  63   4.358 -33.048   7.430
  507    HA2  GLY  63           HA2      GLY  63   5.974 -32.697   9.021
  508    HA3  GLY  63           HA3      GLY  63   5.989 -34.421   9.425
  509    H    SER  64           H        SER  64   8.380 -33.173   9.320
  510    HA   SER  64           HA       SER  64   9.650 -33.131   6.797
  511    HG   SER  64           HG       SER  64   9.783 -31.395   9.312
  512    HB2  SER  64           HB2      SER  64  11.440 -33.684   9.050
  513    HB3  SER  64           HB3      SER  64  11.373 -32.288   7.993
  514    HA   PRO  65           HA       PRO  65  10.847 -37.319   5.925
  515    HB2  PRO  65           HB2      PRO  65  13.728 -36.413   5.983
  516    HB3  PRO  65           HB3      PRO  65  12.882 -37.390   4.745
  517    HG2  PRO  65           HG2      PRO  65  13.347 -34.755   4.323
  518    HG3  PRO  65           HG3      PRO  65  11.753 -35.462   3.895
  519    HD2  PRO  65           HD2      PRO  65  12.505 -33.872   6.355
  520    HD3  PRO  65           HD3      PRO  65  11.052 -33.745   5.317
  521    H    PHE  66           H        PHE  66  12.048 -35.838   8.812
  522    HA   PHE  66           HA       PHE  66  13.128 -38.401   9.874
  523    HD1  PHE  66           HD1      PHE  66  15.687 -38.509   9.094
  524    HD2  PHE  66           HD2      PHE  66  14.727 -34.306   8.879
  525    HE1  PHE  66           HE1      PHE  66  17.162 -38.268   7.111
  526    HE2  PHE  66           HE2      PHE  66  16.199 -34.073   6.896
  527    HZ   PHE  66           HZ       PHE  66  17.419 -36.052   6.008
  528    HB2  PHE  66           HB2      PHE  66  13.910 -35.584  10.687
  529    HB3  PHE  66           HB3      PHE  66  14.713 -37.086  11.119
  530    H    SER  67           H        SER  67  10.323 -36.947   9.964
  531    HA   SER  67           HA       SER  67  10.045 -36.587  12.914
  532    HG   SER  67           HG       SER  67  10.377 -33.503  10.902
  533    HB2  SER  67           HB2      SER  67   8.756 -34.986  10.682
  534    HB3  SER  67           HB3      SER  67   8.812 -34.581  12.405
  535    H    LYS  68           H        LYS  68   7.673 -36.560  13.579
  536    HA   LYS  68           HA       LYS  68   5.797 -37.917  11.798
  537    HB2  LYS  68           HB2      LYS  68   6.882 -39.871  12.778
  538    HB3  LYS  68           HB3      LYS  68   6.700 -39.219  14.403
  539    HG2  LYS  68           HG2      LYS  68   5.073 -40.974  13.986
  540    HG3  LYS  68           HG3      LYS  68   4.265 -39.440  14.283
  541    HD2  LYS  68           HD2      LYS  68   3.904 -39.167  11.819
  542    HD3  LYS  68           HD3      LYS  68   4.713 -40.729  11.551
  543    HE2  LYS  68           HE2      LYS  68   2.987 -41.838  12.964
  544    HE3  LYS  68           HE3      LYS  68   2.209 -40.273  13.241
  545    HZ1  LYS  68           HZ3      LYS  68   1.743 -40.150  10.868
  546    HZ2  LYS  68           HZ1      LYS  68   2.473 -41.591  10.599
  547    HZ3  LYS  68           HZ2      LYS  68   1.112 -41.517  11.487
  548    H    VAL  69           H        VAL  69   4.379 -36.259  11.895
  549    HA   VAL  69           HA       VAL  69   3.561 -34.894  14.319
  550    HB   VAL  69           HB       VAL  69   2.303 -35.267  11.561
  551   HG11  VAL  69          HG11      VAL  69   1.410 -33.477  13.849
  552   HG12  VAL  69          HG12      VAL  69   0.864 -33.292  12.169
  553   HG13  VAL  69          HG13      VAL  69   0.470 -34.760  13.060
  554   HG21  VAL  69          HG23      VAL  69   2.996 -32.886  11.264
  555   HG22  VAL  69          HG21      VAL  69   3.822 -32.943  12.823
  556   HG23  VAL  69          HG22      VAL  69   4.376 -33.961  11.477
  557    H    THR  70           H        THR  70   1.890 -35.486  15.710
  558    HA   THR  70           HA       THR  70   0.331 -37.945  15.080
  559    HB   THR  70           HB       THR  70   0.303 -38.375  17.516
  560    HG1  THR  70           HG1      THR  70   0.707 -36.447  18.457
  561   HG21  THR  70          HG23      THR  70   2.066 -39.418  16.072
  562   HG22  THR  70          HG21      THR  70   3.152 -38.064  16.462
  563   HG23  THR  70          HG22      THR  70   2.599 -39.162  17.744
  564    H    ASP  71           H        ASP  71   0.235 -34.523  15.853
  565    HA   ASP  71           HA       ASP  71  -2.665 -34.569  15.493
  566    HB2  ASP  71           HB2      ASP  71  -2.454 -34.806  17.964
  567    HB3  ASP  71           HB3      ASP  71  -1.383 -33.402  18.007
  568    H    ILE  72           H        ILE  72  -3.448 -32.523  14.834
  569    HA   ILE  72           HA       ILE  72  -1.636 -30.271  14.623
  570    HB   ILE  72           HB       ILE  72  -1.076 -31.554  12.614
  571   HG12  ILE  72          HG12      ILE  72  -2.697 -29.074  11.906
  572   HG13  ILE  72          HG13      ILE  72  -1.070 -29.077  12.595
  573   HG21  ILE  72          HG21      ILE  72  -3.178 -32.828  12.312
  574   HG22  ILE  72          HG22      ILE  72  -3.999 -31.343  11.782
  575   HG23  ILE  72          HG23      ILE  72  -2.685 -32.034  10.820
  576   HD11  ILE  72          HD13      ILE  72  -0.283 -30.380  10.585
  577   HD12  ILE  72          HD11      ILE  72  -1.889 -30.118   9.863
  578   HD13  ILE  72          HD12      ILE  72  -0.855 -28.736  10.236
  579    H    SER  73           H        SER  73  -2.820 -28.328  14.429
  580    HA   SER  73           HA       SER  73  -5.766 -28.423  14.176
  581    HG   SER  73           HG       SER  73  -4.532 -29.244  16.880
  582    HB2  SER  73           HB2      SER  73  -4.269 -27.037  16.453
  583    HB3  SER  73           HB3      SER  73  -6.005 -26.927  16.128
  584    H    VAL  74           H        VAL  74  -6.600 -26.356  13.458
  585    HA   VAL  74           HA       VAL  74  -4.611 -24.358  12.618
  586    HB   VAL  74           HB       VAL  74  -5.108 -26.137  10.919
  587   HG11  VAL  74          HG11      VAL  74  -7.831 -24.825  10.642
  588   HG12  VAL  74          HG12      VAL  74  -7.140 -26.087   9.605
  589   HG13  VAL  74          HG13      VAL  74  -7.520 -26.451  11.294
  590   HG21  VAL  74          HG23      VAL  74  -5.815 -23.297  10.064
  591   HG22  VAL  74          HG21      VAL  74  -4.177 -23.952  10.271
  592   HG23  VAL  74          HG22      VAL  74  -5.234 -24.603   9.014
  593    H    THR  75           H        THR  75  -5.457 -22.266  12.309
  594    HA   THR  75           HA       THR  75  -8.256 -21.690  13.040
  595    HB   THR  75           HB       THR  75  -5.965 -20.062  14.198
  596    HG1  THR  75           HG1      THR  75  -5.782 -22.150  15.047
  597   HG21  THR  75          HG23      THR  75  -8.895 -20.362  14.992
  598   HG22  THR  75          HG21      THR  75  -7.687 -19.410  15.882
  599   HG23  THR  75          HG22      THR  75  -8.133 -18.940  14.242
  600    H    GLU  76           H        GLU  76  -8.757 -19.372  12.218
  601    HA   GLU  76           HA       GLU  76  -7.126 -18.770   9.796
  602    HB2  GLU  76           HB2      GLU  76 -10.072 -19.507  10.077
  603    HB3  GLU  76           HB3      GLU  76  -9.504 -18.535   8.717
  604    HG2  GLU  76           HG2      GLU  76  -8.031 -20.224   7.963
  605    HG3  GLU  76           HG3      GLU  76  -8.308 -21.245   9.381
  606    H    SER  77           H        SER  77  -7.569 -16.683   8.870
  607    HA   SER  77           HA       SER  77  -9.591 -14.940   9.977
  608    HG   SER  77           HG       SER  77  -8.221 -15.353  11.935
  609    HB2  SER  77           HB2      SER  77  -6.635 -14.214  10.309
  610    HB3  SER  77           HB3      SER  77  -7.962 -13.046  10.423
  611    H    ARG  78           H        ARG  78 -10.192 -13.415   8.396
  612    HA   ARG  78           HA       ARG  78  -8.739 -13.405   5.814
  613    HE   ARG  78           HE       ARG  78 -12.008 -12.066   2.745
  614    HB2  ARG  78           HB2      ARG  78 -11.319 -12.235   6.866
  615    HB3  ARG  78           HB3      ARG  78 -10.543 -11.422   5.519
  616    HG2  ARG  78           HG2      ARG  78 -11.081 -14.418   5.472
  617    HG3  ARG  78           HG3      ARG  78 -12.298 -13.246   4.975
  618    HD2  ARG  78           HD2      ARG  78  -9.518 -13.422   3.723
  619    HD3  ARG  78           HD3      ARG  78 -10.955 -14.209   3.081
  620   HH11  ARG  78          HH21      ARG  78  -8.448 -11.960   3.012
  621   HH12  ARG  78          HH22      ARG  78  -8.355 -10.285   2.604
  622   HH21  ARG  78          HH12      ARG  78 -11.832  -9.906   2.041
  623   HH22  ARG  78          HH11      ARG  78 -10.296  -9.143   1.911
  624    H    SER  79           H        SER  79  -9.088 -11.367   8.735
  625    HA   SER  79           HA       SER  79  -7.471  -9.207   7.920
  626    HG   SER  79           HG       SER  79  -9.362  -9.115  11.016
  627    HB2  SER  79           HB2      SER  79  -7.581 -10.537  10.660
  628    HB3  SER  79           HB3      SER  79  -7.202  -8.845  10.294
  629    H    LEU  80           H        LEU  80  -5.235  -8.912   8.202
  630    HA   LEU  80           HA       LEU  80  -3.548 -11.378   8.294
  631    HG   LEU  80           HG       LEU  80  -5.005 -10.283   5.519
  632    HB2  LEU  80           HB2      LEU  80  -3.154  -8.969   6.476
  633    HB3  LEU  80           HB3      LEU  80  -2.143 -10.403   6.549
  634   HD11  LEU  80          HD11      LEU  80  -3.335  -9.196   4.067
  635   HD12  LEU  80          HD12      LEU  80  -2.356 -10.678   4.070
  636   HD13  LEU  80          HD13      LEU  80  -3.975 -10.669   3.331
  637   HD21  LEU  80          HD23      LEU  80  -3.068 -12.637   5.652
  638   HD22  LEU  80          HD21      LEU  80  -4.650 -12.497   6.445
  639   HD23  LEU  80          HD22      LEU  80  -4.567 -12.606   4.690
  640    H    GLU  81           H        GLU  81  -1.391 -10.988   9.045
  641    HA   GLU  81           HA       GLU  81  -0.963  -8.601  10.738
  642    HB2  GLU  81           HB2      GLU  81   1.071 -10.705   9.947
  643    HB3  GLU  81           HB3      GLU  81   1.172  -9.554  11.271
  644    HG2  GLU  81           HG2      GLU  81  -0.485 -12.068  11.055
  645    HG3  GLU  81           HG3      GLU  81   0.727 -11.665  12.252
  646    H    GLY  82           H        GLY  82  -0.016  -9.996   7.606
  647    HA2  GLY  82           HA2      GLY  82   0.199  -8.649   5.660
  648    HA3  GLY  82           HA3      GLY  82   0.733  -7.272   6.634
  649    H    HIS  83           H        HIS  83   1.896 -10.702   6.813
  650    HA   HIS  83           HA       HIS  83   4.651  -9.952   6.862
  651    HD1  HIS  83           HD1      HIS  83   1.812 -12.285   8.449
  652    HD2  HIS  83           HD2      HIS  83   6.002 -12.527   8.762
  653    HE1  HIS  83           HE1      HIS  83   2.331 -12.920  10.888
  654    HB2  HIS  83           HB2      HIS  83   3.279 -12.575   6.134
  655    HB3  HIS  83           HB3      HIS  83   5.015 -12.368   6.353
  656    H    HIS  84           H        HIS  84   6.228 -10.058   5.255
  657    HA   HIS  84           HA       HIS  84   5.343 -10.295   2.409
  658    HD1  HIS  84           HD1      HIS  84   4.292  -7.562   4.409
  659    HD2  HIS  84           HD2      HIS  84   5.895  -7.063   0.537
  660    HE1  HIS  84           HE1      HIS  84   2.812  -5.883   3.235
  661    HB2  HIS  84           HB2      HIS  84   7.171  -8.267   3.740
  662    HB3  HIS  84           HB3      HIS  84   7.256  -8.612   2.021
  663    H    ARG  85           H        ARG  85   7.207 -11.731   4.807
  664    HA   ARG  85           HA       ARG  85   8.669 -13.350   2.854
  665    HE   ARG  85           HE       ARG  85  12.758 -12.942   3.022
  666    HB2  ARG  85           HB2      ARG  85  10.002 -12.010   5.268
  667    HB3  ARG  85           HB3      ARG  85  10.703 -13.332   4.334
  668    HG2  ARG  85           HG2      ARG  85  10.695 -11.876   2.290
  669    HG3  ARG  85           HG3      ARG  85  10.064 -10.548   3.275
  670    HD2  ARG  85           HD2      ARG  85  12.432 -10.239   3.060
  671    HD3  ARG  85           HD3      ARG  85  12.069 -10.680   4.736
  672   HH11  ARG  85          HH21      ARG  85  14.148 -10.376   5.040
  673   HH12  ARG  85          HH22      ARG  85  15.619 -11.221   5.355
  674   HH21  ARG  85          HH11      ARG  85  14.713 -14.078   3.449
  675   HH22  ARG  85          HH12      ARG  85  15.946 -13.369   4.419
  676    H    PHE  86           H        PHE  86   9.504 -15.363   4.193
  677    HA   PHE  86           HA       PHE  86   7.638 -15.916   6.436
  678    HD1  PHE  86           HD2      PHE  86   9.288 -19.462   6.363
  679    HD2  PHE  86           HD1      PHE  86   5.302 -17.939   5.847
  680    HE1  PHE  86           HE2      PHE  86   8.448 -21.115   8.010
  681    HE2  PHE  86           HE1      PHE  86   4.463 -19.556   7.525
  682    HZ   PHE  86           HZ       PHE  86   6.031 -21.146   8.604
  683    HB2  PHE  86           HB2      PHE  86   7.112 -17.236   4.381
  684    HB3  PHE  86           HB3      PHE  86   8.716 -17.951   4.472
  685    H    SER  87           H        SER  87   8.686 -16.468   8.356
  686    HA   SER  87           HA       SER  87  11.655 -16.900   8.179
  687    HG   SER  87           HG       SER  87  11.182 -13.387   8.778
  688    HB2  SER  87           HB2      SER  87  10.175 -15.014  10.050
  689    HB3  SER  87           HB3      SER  87  11.928 -15.231   9.925
  690    H    ILE  88           H        ILE  88  12.635 -18.167   9.709
  691    HA   ILE  88           HA       ILE  88  11.035 -19.563  11.740
  692    HB   ILE  88           HB       ILE  88  14.054 -19.388  11.311
  693   HG12  ILE  88          HG12      ILE  88  12.225 -21.746  10.644
  694   HG13  ILE  88          HG13      ILE  88  12.694 -20.539   9.460
  695   HG21  ILE  88          HG21      ILE  88  13.503 -19.949  13.648
  696   HG22  ILE  88          HG22      ILE  88  12.396 -21.225  13.105
  697   HG23  ILE  88          HG23      ILE  88  14.150 -21.365  12.839
  698   HD11  ILE  88          HD13      ILE  88  14.612 -22.400  10.882
  699   HD12  ILE  88          HD11      ILE  88  14.117 -22.419   9.180
  700   HD13  ILE  88          HD12      ILE  88  15.075 -21.064   9.793
  701    H    VAL  89           H        VAL  89  10.773 -18.770  13.833
  702    HA   VAL  89           HA       VAL  89  12.398 -16.459  14.721
  703    HB   VAL  89           HB       VAL  89  10.463 -15.281  15.540
  704   HG11  VAL  89          HG11      VAL  89  11.197 -14.799  13.218
  705   HG12  VAL  89          HG12      VAL  89   9.970 -15.933  12.609
  706   HG13  VAL  89          HG13      VAL  89   9.478 -14.475  13.486
  707   HG21  VAL  89          HG23      VAL  89   8.731 -17.468  14.322
  708   HG22  VAL  89          HG21      VAL  89   8.905 -17.070  16.042
  709   HG23  VAL  89          HG22      VAL  89   8.138 -15.917  14.949
  710    H    TYR  90           H        TYR  90  12.084 -16.126  17.131
  711    HA   TYR  90           HA       TYR  90  11.814 -18.748  18.530
  712    HD1  TYR  90           HD1      TYR  90  14.743 -16.648  16.432
  713    HD2  TYR  90           HD2      TYR  90  14.437 -20.396  18.550
  714    HE1  TYR  90           HE1      TYR  90  15.978 -17.774  14.605
  715    HE2  TYR  90           HE2      TYR  90  15.715 -21.522  16.745
  716    HH   TYR  90           HH       TYR  90  16.779 -21.278  14.688
  717    HB2  TYR  90           HB2      TYR  90  14.073 -16.732  18.818
  718    HB3  TYR  90           HB3      TYR  90  13.927 -18.263  19.663
  719    H    SER  91           H        SER  91  10.670 -15.604  18.428
  720    HA   SER  91           HA       SER  91  10.765 -14.692  21.084
  721    HG   SER  91           HG       SER  91   9.870 -12.482  18.367
  722    HB2  SER  91           HB2      SER  91   8.525 -14.253  19.071
  723    HB3  SER  91           HB3      SER  91   9.020 -13.187  20.393
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  -7.777 -14.319  -0.545
    2    H2   MET   1           H2       MET   1  -7.633 -12.728  -0.217
    3    H3   MET   1           H3       MET   1  -6.816 -13.379  -1.485
    4    HA   MET   1           HA       MET   1  -5.496 -14.730   0.004
    5    HB2  MET   1           HB2      MET   1  -4.720 -12.447  -0.701
    6    HB3  MET   1           HB3      MET   1  -5.395 -11.787   0.797
    7    HG2  MET   1           HG2      MET   1  -3.832 -13.087   2.119
    8    HG3  MET   1           HG3      MET   1  -3.246 -13.928   0.672
    9    HE1  MET   1           HE3      MET   1  -0.311 -11.603   1.975
   10    HE2  MET   1           HE1      MET   1  -1.615 -12.294   2.969
   11    HE3  MET   1           HE2      MET   1  -0.844 -13.281   1.702
   12    H    LEU   2           H        LEU   2  -4.963 -15.365   2.158
   13    HA   LEU   2           HA       LEU   2  -6.861 -14.689   4.334
   14    HG   LEU   2           HG       LEU   2  -8.277 -16.429   2.217
   15    HB2  LEU   2           HB2      LEU   2  -6.226 -17.452   3.209
   16    HB3  LEU   2           HB3      LEU   2  -6.903 -17.223   4.812
   17   HD11  LEU   2          HD11      LEU   2  -8.840 -18.714   4.156
   18   HD12  LEU   2          HD12      LEU   2  -9.738 -18.337   2.670
   19   HD13  LEU   2          HD13      LEU   2  -8.056 -18.882   2.572
   20   HD21  LEU   2          HD23      LEU   2 -10.288 -16.157   3.687
   21   HD22  LEU   2          HD21      LEU   2  -9.249 -16.389   5.110
   22   HD23  LEU   2          HD22      LEU   2  -9.032 -14.974   4.053
   23    H    GLN   3           H        GLN   3  -6.061 -15.840   6.366
   24    HA   GLN   3           HA       GLN   3  -3.137 -16.184   6.484
   25    HB2  GLN   3           HB2      GLN   3  -3.529 -13.898   7.171
   26    HB3  GLN   3           HB3      GLN   3  -4.865 -14.368   8.210
   27    HG2  GLN   3           HG2      GLN   3  -3.363 -15.461   9.771
   28    HG3  GLN   3           HG3      GLN   3  -2.007 -15.300   8.651
   29   HE21  GLN   3          HE22      GLN   3  -3.713 -13.737  11.241
   30   HE22  GLN   3          HE21      GLN   3  -2.794 -12.225  11.184
   31    H    TYR   4           H        TYR   4  -2.639 -17.937   7.725
   32    HA   TYR   4           HA       TYR   4  -4.813 -19.320   9.248
   33    HD1  TYR   4           HD1      TYR   4  -5.764 -19.347   6.959
   34    HD2  TYR   4           HD2      TYR   4  -3.626 -23.094   7.100
   35    HE1  TYR   4           HE1      TYR   4  -7.410 -20.335   5.433
   36    HE2  TYR   4           HE2      TYR   4  -5.290 -24.098   5.575
   37    HH   TYR   4           HH       TYR   4  -7.266 -23.783   4.425
   38    HB2  TYR   4           HB2      TYR   4  -2.560 -20.486   7.550
   39    HB3  TYR   4           HB3      TYR   4  -3.334 -21.374   8.832
   40    H    ARG   5           H        ARG   5  -4.056 -20.434  11.088
   41    HA   ARG   5           HA       ARG   5  -1.237 -20.064  11.887
   42    HE   ARG   5           HE       ARG   5  -3.801 -20.812  15.765
   43    HB2  ARG   5           HB2      ARG   5  -2.762 -18.711  13.437
   44    HB3  ARG   5           HB3      ARG   5  -3.560 -20.239  13.839
   45    HG2  ARG   5           HG2      ARG   5  -1.230 -21.110  14.547
   46    HG3  ARG   5           HG3      ARG   5  -0.669 -19.445  14.339
   47    HD2  ARG   5           HD2      ARG   5  -1.100 -19.983  16.635
   48    HD3  ARG   5           HD3      ARG   5  -2.209 -18.705  16.106
   49   HH11  ARG   5          HH21      ARG   5  -1.491 -20.415  18.492
   50   HH12  ARG   5          HH22      ARG   5  -2.626 -21.019  19.651
   51   HH21  ARG   5          HH12      ARG   5  -5.149 -21.712  17.220
   52   HH22  ARG   5          HH11      ARG   5  -4.746 -21.873  18.906
   53    H    ILE   6           H        ILE   6  -0.379 -22.118  12.631
   54    HA   ILE   6           HA       ILE   6  -2.230 -24.433  12.526
   55    HB   ILE   6           HB       ILE   6   0.451 -24.370  11.106
   56   HG12  ILE   6          HG12      ILE   6  -2.278 -24.463   9.755
   57   HG13  ILE   6          HG13      ILE   6  -1.332 -22.987   9.906
   58   HG21  ILE   6          HG21      ILE   6  -0.286 -26.589  10.198
   59   HG22  ILE   6          HG22      ILE   6  -0.118 -26.598  11.946
   60   HG23  ILE   6          HG23      ILE   6  -1.731 -26.497  11.213
   61   HD11  ILE   6          HD13      ILE   6   0.531 -23.981   8.653
   62   HD12  ILE   6          HD11      ILE   6  -0.467 -25.416   8.330
   63   HD13  ILE   6          HD12      ILE   6  -0.981 -23.824   7.736
   64    H    ILE   7           H        ILE   7  -1.600 -26.065  13.960
   65    HA   ILE   7           HA       ILE   7   0.664 -25.517  15.806
   66    HB   ILE   7           HB       ILE   7  -2.217 -26.214  16.531
   67   HG12  ILE   7          HG12      ILE   7  -1.987 -23.786  15.995
   68   HG13  ILE   7          HG13      ILE   7  -2.427 -24.095  17.659
   69   HG21  ILE   7          HG21      ILE   7  -1.441 -25.988  18.911
   70   HG22  ILE   7          HG22      ILE   7  -0.753 -27.371  18.056
   71   HG23  ILE   7          HG23      ILE   7   0.234 -25.918  18.314
   72   HD11  ILE   7          HD13      ILE   7  -0.218 -23.546  18.449
   73   HD12  ILE   7          HD11      ILE   7   0.427 -23.544  16.794
   74   HD13  ILE   7          HD12      ILE   7  -0.716 -22.299  17.288
   75    H    VAL   8           H        VAL   8   1.747 -27.457  16.338
   76    HA   VAL   8           HA       VAL   8   0.561 -29.993  15.294
   77    HB   VAL   8           HB       VAL   8   3.461 -29.360  14.765
   78   HG11  VAL   8          HG11      VAL   8   3.103 -30.909  12.873
   79   HG12  VAL   8          HG12      VAL   8   2.619 -31.643  14.401
   80   HG13  VAL   8          HG13      VAL   8   1.381 -31.028  13.287
   81   HG21  VAL   8          HG23      VAL   8   3.005 -28.533  12.518
   82   HG22  VAL   8          HG21      VAL   8   1.256 -28.500  12.849
   83   HG23  VAL   8          HG22      VAL   8   2.372 -27.410  13.707
   84    H    ASP   9           H        ASP   9   1.301 -31.892  16.352
   85    HA   ASP   9           HA       ASP   9   3.375 -31.644  18.438
   86    HB2  ASP   9           HB2      ASP   9   1.160 -31.323  19.566
   87    HB3  ASP   9           HB3      ASP   9   0.630 -32.860  18.888
   88    H    GLY  10           H        GLY  10   4.274 -33.735  18.998
   89    HA2  GLY  10           HA2      GLY  10   3.954 -36.254  18.373
   90    HA3  GLY  10           HA3      GLY  10   4.239 -35.645  16.736
   91    H    ARG  11           H        ARG  11   6.208 -36.813  16.592
   92    HA   ARG  11           HA       ARG  11   8.528 -35.864  18.184
   93    HE   ARG  11           HE       ARG  11  11.226 -38.247  14.289
   94    HB2  ARG  11           HB2      ARG  11   8.462 -38.268  17.449
   95    HB3  ARG  11           HB3      ARG  11   8.464 -37.724  15.765
   96    HG2  ARG  11           HG2      ARG  11  10.653 -36.533  16.218
   97    HG3  ARG  11           HG3      ARG  11  10.613 -37.163  17.864
   98    HD2  ARG  11           HD2      ARG  11  12.097 -38.515  16.529
   99    HD3  ARG  11           HD3      ARG  11  10.697 -39.477  16.986
  100   HH11  ARG  11          HH21      ARG  11   9.661 -40.846  16.167
  101   HH12  ARG  11          HH22      ARG  11   9.158 -41.716  14.767
  102   HH21  ARG  11          HH11      ARG  11  10.529 -39.325  12.510
  103   HH22  ARG  11          HH12      ARG  11   9.663 -40.831  12.603
  104    H    VAL  12           H        VAL  12   7.926 -33.658  17.670
  105    HA   VAL  12           HA       VAL  12   8.480 -32.839  14.857
  106    HB   VAL  12           HB       VAL  12   6.763 -31.128  15.123
  107   HG11  VAL  12          HG11      VAL  12   6.194 -33.355  14.175
  108   HG12  VAL  12          HG12      VAL  12   5.617 -33.861  15.766
  109   HG13  VAL  12          HG13      VAL  12   4.821 -32.523  14.930
  110   HG21  VAL  12          HG23      VAL  12   6.792 -30.804  17.581
  111   HG22  VAL  12          HG21      VAL  12   5.166 -31.145  16.983
  112   HG23  VAL  12          HG22      VAL  12   6.086 -32.410  17.812
  113    H    GLN  13           H        GLN  13  10.302 -32.968  17.312
  114    HA   GLN  13           HA       GLN  13  11.375 -30.241  16.996
  115    HB2  GLN  13           HB2      GLN  13  11.337 -31.613  19.716
  116    HB3  GLN  13           HB3      GLN  13  11.853 -29.976  19.307
  117    HG2  GLN  13           HG2      GLN  13   9.358 -29.634  18.599
  118    HG3  GLN  13           HG3      GLN  13   9.037 -31.079  19.544
  119   HE21  GLN  13          HE22      GLN  13   8.834 -27.865  19.740
  120   HE22  GLN  13          HE21      GLN  13   9.138 -27.581  21.447
  121    H    GLY  14           H        GLY  14  13.616 -30.268  16.872
  122    HA2  GLY  14           HA2      GLY  14  15.739 -31.110  16.762
  123    HA3  GLY  14           HA3      GLY  14  15.266 -32.504  17.756
  124    H    VAL  15           H        VAL  15  13.664 -31.451  14.729
  125    HA   VAL  15           HA       VAL  15  14.709 -33.852  13.310
  126    HB   VAL  15           HB       VAL  15  12.396 -34.323  12.488
  127   HG11  VAL  15          HG11      VAL  15  12.685 -34.648  15.492
  128   HG12  VAL  15          HG12      VAL  15  11.688 -35.611  14.382
  129   HG13  VAL  15          HG13      VAL  15  13.449 -35.682  14.269
  130   HG21  VAL  15          HG23      VAL  15  10.465 -33.550  13.816
  131   HG22  VAL  15          HG21      VAL  15  11.520 -32.467  14.740
  132   HG23  VAL  15          HG22      VAL  15  11.280 -32.210  13.002
  133    H    GLY  16           H        GLY  16  14.059 -30.501  13.257
  134    HA2  GLY  16           HA2      GLY  16  15.028 -29.149  11.574
  135    HA3  GLY  16           HA3      GLY  16  14.772 -30.422  10.365
  136    H    PHE  17           H        PHE  17  12.288 -29.599  12.829
  137    HA   PHE  17           HA       PHE  17  10.330 -29.609  10.718
  138    HD1  PHE  17           HD2      PHE  17   7.819 -27.579  11.824
  139    HD2  PHE  17           HD1      PHE  17   8.429 -31.731  12.778
  140    HE1  PHE  17           HE2      PHE  17   5.500 -28.091  11.097
  141    HE2  PHE  17           HE1      PHE  17   6.113 -32.240  12.048
  142    HZ   PHE  17           HZ       PHE  17   4.653 -30.428  11.182
  143    HB2  PHE  17           HB2      PHE  17  10.112 -30.193  13.282
  144    HB3  PHE  17           HB3      PHE  17   9.729 -28.490  13.455
  145    H    ARG  18           H        ARG  18  11.770 -26.955  12.721
  146    HA   ARG  18           HA       ARG  18  10.321 -24.814  11.582
  147    HE   ARG  18           HE       ARG  18  12.778 -25.808  15.249
  148    HB2  ARG  18           HB2      ARG  18  13.102 -25.089  12.764
  149    HB3  ARG  18           HB3      ARG  18  12.584 -23.549  12.084
  150    HG2  ARG  18           HG2      ARG  18  10.788 -23.302  13.596
  151    HG3  ARG  18           HG3      ARG  18  10.852 -24.981  14.129
  152    HD2  ARG  18           HD2      ARG  18  13.184 -23.079  14.582
  153    HD3  ARG  18           HD3      ARG  18  11.795 -23.141  15.682
  154   HH11  ARG  18          HH21      ARG  18  13.658 -22.792  16.949
  155   HH12  ARG  18          HH22      ARG  18  14.446 -23.603  18.252
  156   HH21  ARG  18          HH11      ARG  18  13.825 -26.870  16.932
  157   HH22  ARG  18          HH12      ARG  18  14.557 -25.978  18.246
  158    H    TYR  19           H        TYR  19  13.404 -26.237  10.325
  159    HA   TYR  19           HA       TYR  19  13.539 -24.408   8.112
  160    HD1  TYR  19           HD2      TYR  19  16.073 -23.815   7.395
  161    HD2  TYR  19           HD1      TYR  19  15.971 -26.496  10.780
  162    HE1  TYR  19           HE2      TYR  19  17.740 -22.404   8.553
  163    HE2  TYR  19           HE1      TYR  19  17.636 -25.085  11.949
  164    HH   TYR  19           HH       TYR  19  19.012 -22.101  10.484
  165    HB2  TYR  19           HB2      TYR  19  14.836 -27.099   8.716
  166    HB3  TYR  19           HB3      TYR  19  15.147 -26.195   7.250
  167    H    PHE  20           H        PHE  20  12.203 -27.745   8.448
  168    HA   PHE  20           HA       PHE  20  11.483 -28.103   5.750
  169    HD1  PHE  20           HD2      PHE  20  10.506 -30.699   4.996
  170    HD2  PHE  20           HD1      PHE  20   7.866 -29.108   8.019
  171    HE1  PHE  20           HE2      PHE  20   8.556 -31.697   3.829
  172    HE2  PHE  20           HE1      PHE  20   5.921 -30.083   6.825
  173    HZ   PHE  20           HZ       PHE  20   6.264 -31.397   4.747
  174    HB2  PHE  20           HB2      PHE  20  11.341 -29.934   7.294
  175    HB3  PHE  20           HB3      PHE  20  10.239 -29.067   8.352
  176    H    VAL  21           H        VAL  21   9.544 -26.582   8.417
  177    HA   VAL  21           HA       VAL  21   7.333 -25.908   6.773
  178    HB   VAL  21           HB       VAL  21   8.421 -24.706   9.353
  179   HG11  VAL  21          HG11      VAL  21   5.715 -24.237   8.046
  180   HG12  VAL  21          HG12      VAL  21   6.182 -23.712   9.674
  181   HG13  VAL  21          HG13      VAL  21   6.981 -23.006   8.265
  182   HG21  VAL  21          HG23      VAL  21   6.596 -25.980  10.391
  183   HG22  VAL  21          HG21      VAL  21   6.042 -26.538   8.798
  184   HG23  VAL  21          HG22      VAL  21   7.587 -27.090   9.434
  185    H    GLN  22           H        GLN  22  10.363 -24.053   7.497
  186    HA   GLN  22           HA       GLN  22   9.578 -21.718   6.107
  187    HB2  GLN  22           HB2      GLN  22  11.540 -21.920   7.648
  188    HB3  GLN  22           HB3      GLN  22  12.402 -22.845   6.403
  189    HG2  GLN  22           HG2      GLN  22  12.207 -20.900   4.859
  190    HG3  GLN  22           HG3      GLN  22  11.338 -20.013   6.119
  191   HE21  GLN  22          HE22      GLN  22  12.702 -18.363   6.719
  192   HE22  GLN  22          HE21      GLN  22  14.387 -18.587   7.154
  193    H    MET  23           H        MET  23  11.206 -24.702   4.887
  194    HA   MET  23           HA       MET  23  11.499 -23.642   2.208
  195    HB2  MET  23           HB2      MET  23  11.565 -26.493   3.313
  196    HB3  MET  23           HB3      MET  23  11.974 -26.066   1.646
  197    HG2  MET  23           HG2      MET  23  13.835 -24.689   2.377
  198    HG3  MET  23           HG3      MET  23  13.395 -24.906   4.070
  199    HE1  MET  23           HE3      MET  23  16.325 -25.313   3.273
  200    HE2  MET  23           HE1      MET  23  15.679 -25.642   4.898
  201    HE3  MET  23           HE2      MET  23  16.709 -26.845   4.090
  202    H    GLU  24           H        GLU  24   8.964 -25.664   3.813
  203    HA   GLU  24           HA       GLU  24   7.533 -26.126   1.382
  204    HB2  GLU  24           HB2      GLU  24   6.761 -26.278   4.325
  205    HB3  GLU  24           HB3      GLU  24   5.636 -26.652   3.030
  206    HG2  GLU  24           HG2      GLU  24   8.235 -28.109   3.622
  207    HG3  GLU  24           HG3      GLU  24   6.592 -28.695   3.860
  208    H    ALA  25           H        ALA  25   7.567 -23.396   3.649
  209    HA   ALA  25           HA       ALA  25   5.315 -22.076   2.360
  210    HB1  ALA  25           HB3      ALA  25   6.281 -20.040   3.435
  211    HB2  ALA  25           HB1      ALA  25   6.043 -21.366   4.589
  212    HB3  ALA  25           HB2      ALA  25   7.667 -20.990   3.980
  213    H    ASP  26           H        ASP  26   8.891 -22.088   1.984
  214    HA   ASP  26           HA       ASP  26   8.992 -19.900   0.247
  215    HB2  ASP  26           HB2      ASP  26  10.937 -20.888   1.549
  216    HB3  ASP  26           HB3      ASP  26  11.025 -22.157   0.327
  217    H    LYS  27           H        LYS  27   8.700 -23.404  -0.565
  218    HA   LYS  27           HA       LYS  27   9.205 -22.936  -3.317
  219    HB2  LYS  27           HB2      LYS  27   8.963 -25.088  -3.715
  220    HB3  LYS  27           HB3      LYS  27   9.103 -25.209  -1.978
  221    HG2  LYS  27           HG2      LYS  27   6.513 -25.331  -3.607
  222    HG3  LYS  27           HG3      LYS  27   7.404 -26.698  -2.949
  223    HD2  LYS  27           HD2      LYS  27   6.995 -25.897  -0.653
  224    HD3  LYS  27           HD3      LYS  27   6.117 -24.504  -1.283
  225    HE2  LYS  27           HE2      LYS  27   4.460 -26.049  -0.621
  226    HE3  LYS  27           HE3      LYS  27   4.496 -26.098  -2.392
  227    HZ1  LYS  27           HZ3      LYS  27   5.686 -28.080  -0.530
  228    HZ2  LYS  27           HZ1      LYS  27   4.393 -28.314  -1.493
  229    HZ3  LYS  27           HZ2      LYS  27   5.869 -28.144  -2.168
  230    H    ARG  28           H        ARG  28   6.412 -22.059  -1.554
  231    HA   ARG  28           HA       ARG  28   4.925 -21.467  -4.076
  232    HE   ARG  28           HE       ARG  28   1.447 -25.718  -2.782
  233    HB2  ARG  28           HB2      ARG  28   4.060 -22.196  -1.251
  234    HB3  ARG  28           HB3      ARG  28   3.010 -21.226  -2.270
  235    HG2  ARG  28           HG2      ARG  28   2.976 -22.950  -4.010
  236    HG3  ARG  28           HG3      ARG  28   4.066 -23.975  -3.061
  237    HD2  ARG  28           HD2      ARG  28   2.445 -24.254  -1.309
  238    HD3  ARG  28           HD3      ARG  28   1.441 -22.951  -1.918
  239   HH11  ARG  28          HH21      ARG  28   0.770 -22.480  -4.085
  240   HH12  ARG  28          HH22      ARG  28  -0.693 -22.962  -4.865
  241   HH21  ARG  28          HH11      ARG  28  -0.656 -26.256  -3.639
  242   HH22  ARG  28          HH12      ARG  28  -1.487 -25.111  -4.623
  243    H    LYS  29           H        LYS  29   7.116 -20.047  -2.171
  244    HA   LYS  29           HA       LYS  29   7.456 -18.131  -1.053
  245    HB2  LYS  29           HB2      LYS  29   6.126 -16.975  -3.533
  246    HB3  LYS  29           HB3      LYS  29   7.203 -16.101  -2.445
  247    HG2  LYS  29           HG2      LYS  29   8.005 -18.532  -4.108
  248    HG3  LYS  29           HG3      LYS  29   8.307 -16.856  -4.545
  249    HD2  LYS  29           HD2      LYS  29   9.804 -16.529  -2.671
  250    HD3  LYS  29           HD3      LYS  29   9.402 -18.119  -1.995
  251    HE2  LYS  29           HE2      LYS  29  10.299 -19.226  -4.014
  252    HE3  LYS  29           HE3      LYS  29  10.753 -17.649  -4.680
  253    HZ1  LYS  29           HZ3      LYS  29  11.829 -18.860  -2.185
  254    HZ2  LYS  29           HZ1      LYS  29  12.619 -18.732  -3.609
  255    HZ3  LYS  29           HZ2      LYS  29  12.250 -17.379  -2.772
  256    H    LEU  30           H        LEU  30   5.362 -19.369   0.080
  257    HA   LEU  30           HA       LEU  30   3.288 -17.447   0.844
  258    HG   LEU  30           HG       LEU  30   2.674 -20.209   0.202
  259    HB2  LEU  30           HB2      LEU  30   4.437 -20.002   2.031
  260    HB3  LEU  30           HB3      LEU  30   3.307 -19.016   2.933
  261   HD11  LEU  30          HD11      LEU  30   1.333 -21.870   1.452
  262   HD12  LEU  30          HD12      LEU  30   3.052 -22.008   1.829
  263   HD13  LEU  30          HD13      LEU  30   1.957 -21.224   2.988
  264   HD21  LEU  30          HD23      LEU  30   0.949 -18.896   2.353
  265   HD22  LEU  30          HD21      LEU  30   1.264 -18.285   0.713
  266   HD23  LEU  30          HD22      LEU  30   0.304 -19.749   0.946
  267    H    ALA  31           H        ALA  31   3.344 -16.476   3.048
  268    HA   ALA  31           HA       ALA  31   6.084 -15.814   3.999
  269    HB1  ALA  31           HB3      ALA  31   5.253 -13.994   2.498
  270    HB2  ALA  31           HB1      ALA  31   3.808 -13.836   3.532
  271    HB3  ALA  31           HB2      ALA  31   5.422 -13.481   4.183
  272    H    GLY  32           H        GLY  32   6.092 -15.185   6.303
  273    HA2  GLY  32           HA2      GLY  32   4.087 -15.177   8.169
  274    HA3  GLY  32           HA3      GLY  32   4.173 -16.870   7.674
  275    H    TRP  33           H        TRP  33   4.797 -17.356   9.877
  276    HA   TRP  33           HA       TRP  33   7.633 -17.549   9.949
  277    HD1  TRP  33           HD1      TRP  33   4.687 -17.483  12.751
  278    HE1  TRP  33           HE1      TRP  33   3.474 -16.025  14.431
  279    HE3  TRP  33           HE3      TRP  33   7.902 -13.494  12.810
  280    HZ2  TRP  33           HZ2      TRP  33   3.821 -13.422  15.665
  281    HZ3  TRP  33           HZ3      TRP  33   7.443 -11.546  14.274
  282    HH2  TRP  33           HH2      TRP  33   5.405 -11.495  15.699
  283    HB2  TRP  33           HB2      TRP  33   7.985 -16.760  12.256
  284    HB3  TRP  33           HB3      TRP  33   7.551 -15.487  11.146
  285    H    VAL  34           H        VAL  34   8.399 -18.983  11.763
  286    HA   VAL  34           HA       VAL  34   6.321 -20.789  12.841
  287    HB   VAL  34           HB       VAL  34   7.049 -21.887  10.826
  288   HG11  VAL  34          HG11      VAL  34   9.928 -21.783  11.820
  289   HG12  VAL  34          HG12      VAL  34   9.337 -22.577  10.349
  290   HG13  VAL  34          HG13      VAL  34   9.287 -20.818  10.482
  291   HG21  VAL  34          HG23      VAL  34   6.687 -23.262  12.893
  292   HG22  VAL  34          HG21      VAL  34   7.737 -24.022  11.684
  293   HG23  VAL  34          HG22      VAL  34   8.435 -23.291  13.139
  294    H    LYS  35           H        LYS  35   6.844 -21.616  14.851
  295    HA   LYS  35           HA       LYS  35   9.557 -21.229  15.893
  296    HB2  LYS  35           HB2      LYS  35   8.770 -20.305  18.019
  297    HB3  LYS  35           HB3      LYS  35   8.369 -19.230  16.686
  298    HG2  LYS  35           HG2      LYS  35   6.025 -20.075  16.692
  299    HG3  LYS  35           HG3      LYS  35   6.424 -21.156  18.041
  300    HD2  LYS  35           HD2      LYS  35   6.979 -19.207  19.457
  301    HD3  LYS  35           HD3      LYS  35   6.603 -18.110  18.105
  302    HE2  LYS  35           HE2      LYS  35   4.286 -18.977  18.030
  303    HE3  LYS  35           HE3      LYS  35   4.648 -20.111  19.331
  304    HZ1  LYS  35           HZ3      LYS  35   4.635 -17.162  19.587
  305    HZ2  LYS  35           HZ1      LYS  35   3.520 -18.203  20.177
  306    HZ3  LYS  35           HZ2      LYS  35   5.030 -18.199  20.791
  307    H    ASN  36           H        ASN  36   9.922 -22.658  17.775
  308    HA   ASN  36           HA       ASN  36   8.067 -24.983  17.770
  309    HB2  ASN  36           HB2      ASN  36  10.285 -25.179  16.369
  310    HB3  ASN  36           HB3      ASN  36  11.050 -25.419  17.947
  311   HD21  ASN  36          HD22      ASN  36  11.080 -27.536  15.960
  312   HD22  ASN  36          HD21      ASN  36   9.895 -28.730  16.436
  313    H    ARG  37           H        ARG  37   7.248 -25.151  19.736
  314    HA   ARG  37           HA       ARG  37   8.093 -23.096  21.585
  315    HE   ARG  37           HE       ARG  37   3.546 -24.575  22.370
  316    HB2  ARG  37           HB2      ARG  37   5.809 -25.112  21.608
  317    HB3  ARG  37           HB3      ARG  37   5.934 -23.741  22.705
  318    HG2  ARG  37           HG2      ARG  37   5.556 -22.159  20.963
  319    HG3  ARG  37           HG3      ARG  37   5.844 -23.345  19.679
  320    HD2  ARG  37           HD2      ARG  37   3.442 -22.722  20.030
  321    HD3  ARG  37           HD3      ARG  37   3.810 -24.441  20.002
  322   HH11  ARG  37          HH21      ARG  37   2.274 -21.466  20.980
  323   HH12  ARG  37          HH22      ARG  37   1.260 -21.192  22.343
  324   HH21  ARG  37          HH11      ARG  37   2.058 -24.215  24.008
  325   HH22  ARG  37          HH12      ARG  37   1.141 -22.740  24.105
  326    H    ASP  38           H        ASP  38   8.424 -23.365  23.872
  327    HA   ASP  38           HA       ASP  38  10.013 -25.606  24.649
  328    HB2  ASP  38           HB2      ASP  38  10.238 -23.394  25.685
  329    HB3  ASP  38           HB3      ASP  38   8.586 -23.486  26.303
  330    H    ASP  39           H        ASP  39   6.544 -25.006  24.818
  331    HA   ASP  39           HA       ASP  39   5.963 -27.148  26.625
  332    HB2  ASP  39           HB2      ASP  39   3.771 -26.616  26.432
  333    HB3  ASP  39           HB3      ASP  39   4.512 -25.070  26.059
  334    H    GLY  40           H        GLY  40   7.111 -27.271  23.478
  335    HA2  GLY  40           HA2      GLY  40   7.750 -29.375  22.638
  336    HA3  GLY  40           HA3      GLY  40   6.276 -30.110  23.258
  337    H    ARG  41           H        ARG  41   4.877 -27.466  21.988
  338    HA   ARG  41           HA       ARG  41   4.200 -28.990  19.560
  339    HE   ARG  41           HE       ARG  41   1.488 -26.865  22.926
  340    HB2  ARG  41           HB2      ARG  41   3.001 -26.535  20.917
  341    HB3  ARG  41           HB3      ARG  41   2.433 -27.164  19.364
  342    HG2  ARG  41           HG2      ARG  41   1.974 -29.352  20.363
  343    HG3  ARG  41           HG3      ARG  41   2.526 -28.801  21.947
  344    HD2  ARG  41           HD2      ARG  41   0.242 -27.459  20.448
  345    HD3  ARG  41           HD3      ARG  41   0.008 -28.857  21.511
  346   HH11  ARG  41          HH11      ARG  41  -1.829 -27.437  21.743
  347   HH12  ARG  41          HH12      ARG  41  -2.570 -26.623  23.069
  348   HH21  ARG  41          HH21      ARG  41   0.557 -25.893  24.627
  349   HH22  ARG  41          HH22      ARG  41  -1.175 -25.684  24.788
  350    H    VAL  42           H        VAL  42   4.161 -28.050  17.491
  351    HA   VAL  42           HA       VAL  42   6.088 -25.809  17.041
  352    HB   VAL  42           HB       VAL  42   4.516 -27.297  14.903
  353   HG11  VAL  42          HG11      VAL  42   5.573 -25.157  14.234
  354   HG12  VAL  42          HG12      VAL  42   7.148 -25.758  14.791
  355   HG13  VAL  42          HG13      VAL  42   6.320 -26.523  13.418
  356   HG21  VAL  42          HG23      VAL  42   5.794 -29.041  16.037
  357   HG22  VAL  42          HG21      VAL  42   6.487 -28.708  14.460
  358   HG23  VAL  42          HG22      VAL  42   7.278 -28.075  15.915
  359    H    GLU  43           H        GLU  43   5.270 -23.828  16.249
  360    HA   GLU  43           HA       GLU  43   2.367 -23.617  15.783
  361    HB2  GLU  43           HB2      GLU  43   2.583 -22.930  18.039
  362    HB3  GLU  43           HB3      GLU  43   3.996 -21.920  17.707
  363    HG2  GLU  43           HG2      GLU  43   2.683 -20.246  16.647
  364    HG3  GLU  43           HG3      GLU  43   1.303 -21.321  16.446
  365    H    ILE  44           H        ILE  44   1.905 -22.372  14.073
  366    HA   ILE  44           HA       ILE  44   4.114 -21.079  12.564
  367    HB   ILE  44           HB       ILE  44   1.985 -22.837  11.307
  368   HG12  ILE  44          HG12      ILE  44   4.709 -23.887  12.152
  369   HG13  ILE  44          HG13      ILE  44   3.154 -24.379  12.823
  370   HG21  ILE  44          HG21      ILE  44   3.157 -21.264   9.839
  371   HG22  ILE  44          HG22      ILE  44   4.723 -21.918  10.368
  372   HG23  ILE  44          HG23      ILE  44   3.597 -22.906   9.418
  373   HD11  ILE  44          HD13      ILE  44   3.796 -26.088  11.329
  374   HD12  ILE  44          HD11      ILE  44   2.489 -25.194  10.523
  375   HD13  ILE  44          HD12      ILE  44   4.170 -24.956  10.027
  376    H    LEU  45           H        LEU  45   3.326 -19.322  11.285
  377    HA   LEU  45           HA       LEU  45   0.412 -18.806  11.202
  378    HG   LEU  45           HG       LEU  45  -0.583 -16.671  12.075
  379    HB2  LEU  45           HB2      LEU  45   1.508 -17.543  13.127
  380    HB3  LEU  45           HB3      LEU  45   2.466 -16.675  11.927
  381   HD11  LEU  45          HD11      LEU  45   0.455 -15.635  14.064
  382   HD12  LEU  45          HD12      LEU  45   1.433 -14.580  13.019
  383   HD13  LEU  45          HD13      LEU  45  -0.338 -14.422  13.055
  384   HD21  LEU  45          HD23      LEU  45  -0.253 -14.507  10.706
  385   HD22  LEU  45          HD21      LEU  45   1.393 -15.069  10.380
  386   HD23  LEU  45          HD22      LEU  45  -0.021 -16.010   9.840
  387    H    ALA  46           H        ALA  46  -0.077 -18.289   9.046
  388    HA   ALA  46           HA       ALA  46   2.139 -17.523   7.238
  389    HB1  ALA  46           HB3      ALA  46   2.095 -19.997   7.276
  390    HB2  ALA  46           HB1      ALA  46   0.371 -19.976   6.838
  391    HB3  ALA  46           HB2      ALA  46   1.587 -19.360   5.697
  392    H    GLU  47           H        GLU  47   1.414 -16.683   5.237
  393    HA   GLU  47           HA       GLU  47  -1.418 -15.745   5.107
  394    HB2  GLU  47           HB2      GLU  47   1.213 -14.203   4.844
  395    HB3  GLU  47           HB3      GLU  47  -0.358 -13.578   4.342
  396    HG2  GLU  47           HG2      GLU  47  -1.208 -13.721   6.618
  397    HG3  GLU  47           HG3      GLU  47   0.318 -14.410   7.190
  398    H    GLY  48           H        GLY  48  -2.274 -15.893   3.019
  399    HA2  GLY  48           HA2      GLY  48  -0.941 -15.620   0.586
  400    HA3  GLY  48           HA3      GLY  48  -0.746 -17.316   1.040
  401    HA   PRO  49           HA       PRO  49  -4.932 -17.001  -0.961
  402    HB2  PRO  49           HB2      PRO  49  -4.509 -18.644  -3.106
  403    HB3  PRO  49           HB3      PRO  49  -4.129 -16.895  -3.133
  404    HG2  PRO  49           HG2      PRO  49  -2.244 -19.206  -2.653
  405    HG3  PRO  49           HG3      PRO  49  -2.005 -17.789  -3.717
  406    HD2  PRO  49           HD2      PRO  49  -0.965 -17.942  -1.174
  407    HD3  PRO  49           HD3      PRO  49  -1.482 -16.394  -1.904
  408    H    GLU  50           H        GLU  50  -6.473 -18.751  -0.977
  409    HA   GLU  50           HA       GLU  50  -6.185 -20.450   1.213
  410    HB2  GLU  50           HB2      GLU  50  -8.320 -19.612   0.227
  411    HB3  GLU  50           HB3      GLU  50  -8.118 -20.725  -1.129
  412    HG2  GLU  50           HG2      GLU  50  -8.188 -22.651   0.473
  413    HG3  GLU  50           HG3      GLU  50  -8.401 -21.513   1.807
  414    H    ASN  51           H        ASN  51  -5.858 -21.306  -2.290
  415    HA   ASN  51           HA       ASN  51  -5.580 -24.096  -1.874
  416    HB2  ASN  51           HB2      ASN  51  -6.011 -23.168  -4.095
  417    HB3  ASN  51           HB3      ASN  51  -4.465 -22.311  -4.082
  418   HD21  ASN  51          HD22      ASN  51  -5.867 -25.654  -3.968
  419   HD22  ASN  51          HD21      ASN  51  -4.488 -26.408  -4.719
  420    H    ALA  52           H        ALA  52  -3.149 -21.520  -1.788
  421    HA   ALA  52           HA       ALA  52  -0.878 -23.307  -1.594
  422    HB1  ALA  52           HB3      ALA  52   0.356 -21.257  -0.939
  423    HB2  ALA  52           HB1      ALA  52  -0.622 -20.977  -2.390
  424    HB3  ALA  52           HB2      ALA  52  -1.174 -20.371  -0.809
  425    H    LEU  53           H        LEU  53  -2.887 -21.479   0.790
  426    HA   LEU  53           HA       LEU  53  -1.389 -22.368   3.055
  427    HG   LEU  53           HG       LEU  53  -2.304 -19.682   2.299
  428    HB2  LEU  53           HB2      LEU  53  -4.224 -21.322   2.728
  429    HB3  LEU  53           HB3      LEU  53  -3.493 -21.661   4.288
  430   HD11  LEU  53          HD11      LEU  53  -4.052 -19.168   4.739
  431   HD12  LEU  53          HD12      LEU  53  -3.259 -17.936   3.734
  432   HD13  LEU  53          HD13      LEU  53  -4.520 -18.957   3.034
  433   HD21  LEU  53          HD23      LEU  53  -1.722 -20.181   5.252
  434   HD22  LEU  53          HD21      LEU  53  -0.625 -20.511   3.892
  435   HD23  LEU  53          HD22      LEU  53  -1.061 -18.849   4.280
  436    H    GLN  54           H        GLN  54  -4.262 -23.797   1.403
  437    HA   GLN  54           HA       GLN  54  -4.615 -25.934   3.266
  438    HB2  GLN  54           HB2      GLN  54  -5.223 -25.609   0.293
  439    HB3  GLN  54           HB3      GLN  54  -5.610 -27.077   1.180
  440    HG2  GLN  54           HG2      GLN  54  -6.664 -24.314   1.921
  441    HG3  GLN  54           HG3      GLN  54  -7.538 -25.506   0.966
  442   HE21  GLN  54          HE22      GLN  54  -8.102 -27.617   2.054
  443   HE22  GLN  54          HE21      GLN  54  -8.300 -27.628   3.788
  444    H    SER  55           H        SER  55  -2.626 -25.712   0.235
  445    HA   SER  55           HA       SER  55  -1.561 -28.338   0.423
  446    HG   SER  55           HG       SER  55  -2.205 -26.118  -1.682
  447    HB2  SER  55           HB2      SER  55  -0.210 -25.838  -0.680
  448    HB3  SER  55           HB3      SER  55   0.200 -27.519  -1.057
  449    H    PHE  56           H        PHE  56  -0.535 -25.285   1.971
  450    HA   PHE  56           HA       PHE  56   1.889 -26.232   3.076
  451    HD1  PHE  56           HD1      PHE  56   3.706 -24.601   3.527
  452    HD2  PHE  56           HD2      PHE  56   0.543 -23.175   6.096
  453    HE1  PHE  56           HE1      PHE  56   5.381 -23.697   5.118
  454    HE2  PHE  56           HE2      PHE  56   2.218 -22.259   7.654
  455    HZ   PHE  56           HZ       PHE  56   4.645 -22.462   7.139
  456    HB2  PHE  56           HB2      PHE  56   1.197 -23.878   2.760
  457    HB3  PHE  56           HB3      PHE  56  -0.003 -24.050   4.024
  458    H    VAL  57           H        VAL  57  -1.484 -26.139   4.475
  459    HA   VAL  57           HA       VAL  57  -0.812 -27.409   6.921
  460    HB   VAL  57           HB       VAL  57  -3.381 -27.463   5.288
  461   HG11  VAL  57          HG11      VAL  57  -3.403 -29.449   6.746
  462   HG12  VAL  57          HG12      VAL  57  -2.933 -28.456   8.141
  463   HG13  VAL  57          HG13      VAL  57  -4.517 -28.229   7.363
  464   HG21  VAL  57          HG23      VAL  57  -4.203 -25.849   6.897
  465   HG22  VAL  57          HG21      VAL  57  -2.732 -25.987   7.872
  466   HG23  VAL  57          HG22      VAL  57  -2.668 -25.239   6.264
  467    H    GLU  58           H        GLU  58  -1.742 -28.831   3.731
  468    HA   GLU  58           HA       GLU  58  -1.782 -31.514   4.526
  469    HB2  GLU  58           HB2      GLU  58  -1.093 -30.247   1.856
  470    HB3  GLU  58           HB3      GLU  58  -1.264 -31.979   2.069
  471    HG2  GLU  58           HG2      GLU  58  -3.511 -30.075   2.833
  472    HG3  GLU  58           HG3      GLU  58  -3.274 -30.622   1.179
  473    H    ALA  59           H        ALA  59   0.968 -29.548   3.433
  474    HA   ALA  59           HA       ALA  59   2.910 -31.657   3.531
  475    HB1  ALA  59           HB3      ALA  59   4.558 -29.846   3.393
  476    HB2  ALA  59           HB1      ALA  59   3.241 -29.570   2.240
  477    HB3  ALA  59           HB2      ALA  59   3.309 -28.638   3.753
  478    H    VAL  60           H        VAL  60   1.926 -29.123   5.898
  479    HA   VAL  60           HA       VAL  60   3.839 -29.799   7.889
  480    HB   VAL  60           HB       VAL  60   1.169 -28.350   7.980
  481   HG11  VAL  60          HG11      VAL  60   1.589 -29.203  10.257
  482   HG12  VAL  60          HG12      VAL  60   3.250 -28.591  10.190
  483   HG13  VAL  60          HG13      VAL  60   1.875 -27.468  10.189
  484   HG21  VAL  60          HG23      VAL  60   3.154 -27.293   6.738
  485   HG22  VAL  60          HG21      VAL  60   2.551 -26.349   8.103
  486   HG23  VAL  60          HG22      VAL  60   4.030 -27.321   8.262
  487    H    LYS  61           H        LYS  61   0.695 -31.344   7.091
  488    HA   LYS  61           HA       LYS  61   0.453 -32.850   9.473
  489    HB2  LYS  61           HB2      LYS  61  -0.076 -34.056   6.744
  490    HB3  LYS  61           HB3      LYS  61  -0.795 -34.487   8.299
  491    HG2  LYS  61           HG2      LYS  61  -1.873 -32.168   8.308
  492    HG3  LYS  61           HG3      LYS  61  -1.338 -32.034   6.631
  493    HD2  LYS  61           HD2      LYS  61  -3.299 -34.043   7.769
  494    HD3  LYS  61           HD3      LYS  61  -3.618 -32.718   6.641
  495    HE2  LYS  61           HE2      LYS  61  -1.929 -33.920   5.059
  496    HE3  LYS  61           HE3      LYS  61  -2.110 -35.314   6.133
  497    HZ1  LYS  61           HZ3      LYS  61  -4.225 -33.956   4.580
  498    HZ2  LYS  61           HZ1      LYS  61  -3.658 -35.472   4.325
  499    HZ3  LYS  61           HZ2      LYS  61  -4.542 -35.166   5.665
  500    H    ASN  62           H        ASN  62   2.767 -33.246   6.807
  501    HA   ASN  62           HA       ASN  62   3.562 -35.898   7.726
  502    HB2  ASN  62           HB2      ASN  62   3.585 -35.230   5.295
  503    HB3  ASN  62           HB3      ASN  62   4.927 -34.139   5.650
  504   HD21  ASN  62          HD22      ASN  62   7.045 -35.087   6.132
  505   HD22  ASN  62          HD21      ASN  62   7.341 -36.789   5.860
  506    H    GLY  63           H        GLY  63   4.843 -32.585   7.746
  507    HA2  GLY  63           HA2      GLY  63   6.575 -31.610   8.983
  508    HA3  GLY  63           HA3      GLY  63   6.767 -33.109   9.900
  509    H    SER  64           H        SER  64   9.143 -32.585   9.468
  510    HA   SER  64           HA       SER  64  10.250 -32.818   6.836
  511    HG   SER  64           HG       SER  64  12.478 -33.297  10.201
  512    HB2  SER  64           HB2      SER  64  12.375 -33.000   7.975
  513    HB3  SER  64           HB3      SER  64  11.403 -31.802   8.823
  514    HA   PRO  65           HA       PRO  65  10.465 -37.264   6.166
  515    HB2  PRO  65           HB2      PRO  65  13.470 -36.942   6.110
  516    HB3  PRO  65           HB3      PRO  65  12.415 -37.855   4.985
  517    HG2  PRO  65           HG2      PRO  65  13.352 -35.415   4.282
  518    HG3  PRO  65           HG3      PRO  65  11.635 -35.833   3.965
  519    HD2  PRO  65           HD2      PRO  65  12.785 -34.199   6.236
  520    HD3  PRO  65           HD3      PRO  65  11.340 -33.874   5.231
  521    H    PHE  66           H        PHE  66  12.246 -35.787   8.817
  522    HA   PHE  66           HA       PHE  66  12.639 -38.410  10.152
  523    HD1  PHE  66           HD2      PHE  66  13.678 -39.223  11.909
  524    HD2  PHE  66           HD1      PHE  66  15.764 -35.446  12.102
  525    HE1  PHE  66           HE2      PHE  66  14.840 -39.966  13.953
  526    HE2  PHE  66           HE1      PHE  66  16.920 -36.200  14.160
  527    HZ   PHE  66           HZ       PHE  66  16.457 -38.459  15.097
  528    HB2  PHE  66           HB2      PHE  66  14.591 -36.923   9.782
  529    HB3  PHE  66           HB3      PHE  66  13.795 -35.662  10.710
  530    H    SER  67           H        SER  67  10.444 -35.745  10.119
  531    HA   SER  67           HA       SER  67   9.771 -35.687  12.927
  532    HG   SER  67           HG       SER  67  10.243 -33.730  10.850
  533    HB2  SER  67           HB2      SER  67   8.193 -34.900  10.442
  534    HB3  SER  67           HB3      SER  67   7.781 -34.471  12.107
  535    H    LYS  68           H        LYS  68   7.663 -36.353  13.708
  536    HA   LYS  68           HA       LYS  68   5.972 -37.967  11.979
  537    HB2  LYS  68           HB2      LYS  68   7.209 -39.739  13.207
  538    HB3  LYS  68           HB3      LYS  68   6.754 -38.996  14.751
  539    HG2  LYS  68           HG2      LYS  68   4.361 -39.407  14.264
  540    HG3  LYS  68           HG3      LYS  68   4.790 -40.068  12.672
  541    HD2  LYS  68           HD2      LYS  68   6.035 -41.901  13.778
  542    HD3  LYS  68           HD3      LYS  68   5.684 -41.185  15.357
  543    HE2  LYS  68           HE2      LYS  68   4.164 -43.008  15.047
  544    HE3  LYS  68           HE3      LYS  68   3.243 -41.506  14.962
  545    HZ1  LYS  68           HZ3      LYS  68   4.114 -43.112  12.622
  546    HZ2  LYS  68           HZ1      LYS  68   2.608 -43.075  13.232
  547    HZ3  LYS  68           HZ2      LYS  68   3.226 -41.738  12.540
  548    H    VAL  69           H        VAL  69   3.822 -37.440  12.447
  549    HA   VAL  69           HA       VAL  69   3.419 -35.339  14.540
  550    HB   VAL  69           HB       VAL  69   2.133 -35.725  11.810
  551   HG11  VAL  69          HG11      VAL  69   0.407 -34.898  13.316
  552   HG12  VAL  69          HG12      VAL  69   1.506 -33.665  13.962
  553   HG13  VAL  69          HG13      VAL  69   0.943 -33.577  12.278
  554   HG21  VAL  69          HG23      VAL  69   3.925 -33.512  12.916
  555   HG22  VAL  69          HG21      VAL  69   4.369 -34.693  11.663
  556   HG23  VAL  69          HG22      VAL  69   3.132 -33.482  11.333
  557    H    THR  70           H        THR  70   1.775 -35.711  15.993
  558    HA   THR  70           HA       THR  70   0.100 -38.152  15.623
  559    HB   THR  70           HB       THR  70   0.213 -38.369  18.096
  560    HG1  THR  70           HG1      THR  70   0.768 -36.392  18.834
  561   HG21  THR  70          HG23      THR  70   2.487 -39.237  18.224
  562   HG22  THR  70          HG21      THR  70   1.814 -39.615  16.628
  563   HG23  THR  70          HG22      THR  70   2.982 -38.284  16.807
  564    H    ASP  71           H        ASP  71   0.129 -34.687  16.172
  565    HA   ASP  71           HA       ASP  71  -2.766 -34.686  15.868
  566    HB2  ASP  71           HB2      ASP  71  -2.577 -34.769  18.334
  567    HB3  ASP  71           HB3      ASP  71  -1.449 -33.410  18.303
  568    H    ILE  72           H        ILE  72  -3.483 -32.639  15.080
  569    HA   ILE  72           HA       ILE  72  -1.619 -30.472  14.706
  570    HB   ILE  72           HB       ILE  72  -0.958 -31.877  12.838
  571   HG12  ILE  72          HG12      ILE  72  -2.601 -29.494  11.893
  572   HG13  ILE  72          HG13      ILE  72  -0.965 -29.445  12.554
  573   HG21  ILE  72          HG21      ILE  72  -2.420 -32.611  11.050
  574   HG22  ILE  72          HG22      ILE  72  -3.050 -33.222  12.570
  575   HG23  ILE  72          HG23      ILE  72  -3.819 -31.818  11.799
  576   HD11  ILE  72          HD13      ILE  72  -1.841 -30.686   9.929
  577   HD12  ILE  72          HD11      ILE  72  -0.811 -29.276  10.170
  578   HD13  ILE  72          HD12      ILE  72  -0.213 -30.891  10.622
  579    H    SER  73           H        SER  73  -2.761 -28.536  14.366
  580    HA   SER  73           HA       SER  73  -5.701 -28.606  14.029
  581    HG   SER  73           HG       SER  73  -5.496 -28.580  17.629
  582    HB2  SER  73           HB2      SER  73  -4.278 -27.152  16.304
  583    HB3  SER  73           HB3      SER  73  -6.010 -27.111  15.952
  584    H    VAL  74           H        VAL  74  -6.524 -26.422  13.491
  585    HA   VAL  74           HA       VAL  74  -4.504 -24.572  12.376
  586    HB   VAL  74           HB       VAL  74  -6.928 -25.639  10.864
  587   HG11  VAL  74          HG11      VAL  74  -4.656 -23.816   9.952
  588   HG12  VAL  74          HG12      VAL  74  -5.915 -24.494   8.901
  589   HG13  VAL  74          HG13      VAL  74  -6.357 -23.353  10.165
  590   HG21  VAL  74          HG23      VAL  74  -3.980 -26.296  10.458
  591   HG22  VAL  74          HG21      VAL  74  -5.263 -27.425  10.947
  592   HG23  VAL  74          HG22      VAL  74  -5.286 -26.724   9.333
  593    H    THR  75           H        THR  75  -5.229 -22.435  12.292
  594    HA   THR  75           HA       THR  75  -7.924 -21.729  13.261
  595    HB   THR  75           HB       THR  75  -5.683 -19.977  14.180
  596    HG1  THR  75           HG1      THR  75  -6.040 -22.571  15.174
  597   HG21  THR  75          HG23      THR  75  -8.181 -21.007  15.576
  598   HG22  THR  75          HG21      THR  75  -7.063 -19.771  16.198
  599   HG23  THR  75          HG22      THR  75  -8.012 -19.445  14.741
  600    H    GLU  76           H        GLU  76  -8.234 -19.252  12.630
  601    HA   GLU  76           HA       GLU  76  -6.737 -18.618  10.128
  602    HB2  GLU  76           HB2      GLU  76  -9.739 -18.786  10.579
  603    HB3  GLU  76           HB3      GLU  76  -9.041 -17.738   9.346
  604    HG2  GLU  76           HG2      GLU  76  -7.946 -19.651   8.269
  605    HG3  GLU  76           HG3      GLU  76  -8.629 -20.743   9.484
  606    H    SER  77           H        SER  77  -6.937 -16.391   9.505
  607    HA   SER  77           HA       SER  77  -8.204 -14.534  11.398
  608    HG   SER  77           HG       SER  77  -5.809 -14.968  12.611
  609    HB2  SER  77           HB2      SER  77  -5.626 -13.705  10.072
  610    HB3  SER  77           HB3      SER  77  -6.427 -13.004  11.473
  611    H    ARG  78           H        ARG  78  -9.095 -12.742  10.255
  612    HA   ARG  78           HA       ARG  78  -8.987 -12.892   7.269
  613    HE   ARG  78           HE       ARG  78 -10.802 -16.884   7.256
  614    HB2  ARG  78           HB2      ARG  78 -11.326 -12.021   9.017
  615    HB3  ARG  78           HB3      ARG  78 -11.295 -12.023   7.254
  616    HG2  ARG  78           HG2      ARG  78 -11.132 -14.494   9.039
  617    HG3  ARG  78           HG3      ARG  78 -12.538 -13.948   8.131
  618    HD2  ARG  78           HD2      ARG  78 -11.301 -14.289   5.994
  619    HD3  ARG  78           HD3      ARG  78  -9.887 -14.820   6.899
  620   HH11  ARG  78          HH21      ARG  78 -13.396 -14.804   5.962
  621   HH12  ARG  78          HH22      ARG  78 -14.436 -16.135   5.610
  622   HH21  ARG  78          HH11      ARG  78 -12.074 -18.541   6.800
  623   HH22  ARG  78          HH12      ARG  78 -13.682 -18.367   6.119
  624    H    SER  79           H        SER  79  -7.182 -11.630   9.056
  625    HA   SER  79           HA       SER  79  -7.023  -9.034   7.775
  626    HG   SER  79           HG       SER  79  -8.724  -9.191  10.414
  627    HB2  SER  79           HB2      SER  79  -6.517  -9.412  10.768
  628    HB3  SER  79           HB3      SER  79  -6.237  -7.937   9.830
  629    H    LEU  80           H        LEU  80  -4.551  -8.400   8.094
  630    HA   LEU  80           HA       LEU  80  -2.959 -10.911   7.744
  631    HG   LEU  80           HG       LEU  80  -4.866  -9.829   5.397
  632    HB2  LEU  80           HB2      LEU  80  -3.026  -8.350   6.085
  633    HB3  LEU  80           HB3      LEU  80  -1.865  -9.638   5.872
  634   HD11  LEU  80          HD11      LEU  80  -4.220 -10.075   3.037
  635   HD12  LEU  80          HD12      LEU  80  -3.632  -8.544   3.701
  636   HD13  LEU  80          HD13      LEU  80  -2.505  -9.899   3.475
  637   HD21  LEU  80          HD23      LEU  80  -4.155 -12.002   6.155
  638   HD22  LEU  80          HD21      LEU  80  -4.360 -12.080   4.408
  639   HD23  LEU  80          HD22      LEU  80  -2.724 -11.974   5.103
  640    H    GLU  81           H        GLU  81  -1.068 -10.938   8.883
  641    HA   GLU  81           HA       GLU  81  -0.241  -8.604  10.410
  642    HB2  GLU  81           HB2      GLU  81   1.374 -11.123   9.887
  643    HB3  GLU  81           HB3      GLU  81   1.654  -9.912  11.125
  644    HG2  GLU  81           HG2      GLU  81  -0.425 -12.074  11.017
  645    HG3  GLU  81           HG3      GLU  81   0.713 -11.698  12.286
  646    H    GLY  82           H        GLY  82   0.546  -9.931   7.226
  647    HA2  GLY  82           HA2      GLY  82   1.254  -8.620   5.468
  648    HA3  GLY  82           HA3      GLY  82   1.825  -7.361   6.570
  649    H    HIS  83           H        HIS  83   2.755 -10.844   6.874
  650    HA   HIS  83           HA       HIS  83   5.573 -10.255   6.735
  651    HD1  HIS  83           HD1      HIS  83   2.666 -12.413   8.624
  652    HD2  HIS  83           HD2      HIS  83   6.864 -12.648   8.841
  653    HE1  HIS  83           HE1      HIS  83   3.251 -12.807  11.102
  654    HB2  HIS  83           HB2      HIS  83   4.020 -12.842   6.310
  655    HB3  HIS  83           HB3      HIS  83   5.769 -12.720   6.427
  656    H    HIS  84           H        HIS  84   7.016 -10.634   4.991
  657    HA   HIS  84           HA       HIS  84   5.825 -10.976   2.267
  658    HD1  HIS  84           HD1      HIS  84   5.186  -8.015   4.180
  659    HD2  HIS  84           HD2      HIS  84   6.312  -7.965   0.113
  660    HE1  HIS  84           HE1      HIS  84   3.670  -6.343   3.040
  661    HB2  HIS  84           HB2      HIS  84   7.893  -8.989   3.263
  662    HB3  HIS  84           HB3      HIS  84   7.779  -9.446   1.573
  663    H    ARG  85           H        ARG  85   7.886 -12.348   4.541
  664    HA   ARG  85           HA       ARG  85   8.921 -14.253   2.599
  665    HE   ARG  85           HE       ARG  85  12.979 -14.506   1.802
  666    HB2  ARG  85           HB2      ARG  85  10.702 -12.693   4.544
  667    HB3  ARG  85           HB3      ARG  85  11.178 -14.236   3.857
  668    HG2  ARG  85           HG2      ARG  85  10.613 -11.728   2.242
  669    HG3  ARG  85           HG3      ARG  85  12.203 -12.326   2.689
  670    HD2  ARG  85           HD2      ARG  85  10.201 -13.810   0.940
  671    HD3  ARG  85           HD3      ARG  85  11.600 -12.912   0.361
  672   HH11  ARG  85          HH21      ARG  85   9.998 -15.591   0.119
  673   HH12  ARG  85          HH22      ARG  85  10.594 -17.244   0.022
  674   HH21  ARG  85          HH11      ARG  85  13.619 -16.744   1.578
  675   HH22  ARG  85          HH12      ARG  85  12.525 -17.838   0.757
  676    H    PHE  86           H        PHE  86  10.103 -16.038   4.266
  677    HA   PHE  86           HA       PHE  86   8.084 -16.395   6.412
  678    HD1  PHE  86           HD2      PHE  86   9.115 -19.644   7.427
  679    HD2  PHE  86           HD1      PHE  86   5.810 -18.175   5.076
  680    HE1  PHE  86           HE2      PHE  86   7.512 -20.666   9.006
  681    HE2  PHE  86           HE1      PHE  86   4.219 -19.168   6.689
  682    HZ   PHE  86           HZ       PHE  86   5.067 -20.397   8.666
  683    HB2  PHE  86           HB2      PHE  86   8.014 -17.899   4.283
  684    HB3  PHE  86           HB3      PHE  86   9.404 -18.699   5.008
  685    H    SER  87           H        SER  87   8.926 -16.434   8.413
  686    HA   SER  87           HA       SER  87  11.892 -16.583   8.637
  687    HG   SER  87           HG       SER  87  10.655 -13.289   9.261
  688    HB2  SER  87           HB2      SER  87   9.864 -15.148  10.385
  689    HB3  SER  87           HB3      SER  87  11.629 -14.997  10.442
  690    H    ILE  88           H        ILE  88  12.875 -17.839  10.152
  691    HA   ILE  88           HA       ILE  88  11.212 -19.605  11.865
  692    HB   ILE  88           HB       ILE  88  14.174 -19.507  11.166
  693   HG12  ILE  88          HG12      ILE  88  12.122 -21.713  10.631
  694   HG13  ILE  88          HG13      ILE  88  12.406 -20.411   9.487
  695   HG21  ILE  88          HG21      ILE  88  14.041 -20.235  13.478
  696   HG22  ILE  88          HG22      ILE  88  12.704 -21.344  13.102
  697   HG23  ILE  88          HG23      ILE  88  14.347 -21.653  12.485
  698   HD11  ILE  88          HD13      ILE  88  14.466 -22.453  10.363
  699   HD12  ILE  88          HD11      ILE  88  13.692 -22.262   8.776
  700   HD13  ILE  88          HD12      ILE  88  14.800 -21.011   9.361
  701    H    VAL  89           H        VAL  89  11.059 -19.253  14.032
  702    HA   VAL  89           HA       VAL  89  12.497 -16.950  15.254
  703    HB   VAL  89           HB       VAL  89   9.526 -17.663  15.291
  704   HG11  VAL  89          HG11      VAL  89  10.980 -15.468  16.832
  705   HG12  VAL  89          HG12      VAL  89   9.217 -15.638  16.689
  706   HG13  VAL  89          HG13      VAL  89  10.141 -16.880  17.529
  707   HG21  VAL  89          HG23      VAL  89  10.160 -16.448  13.257
  708   HG22  VAL  89          HG21      VAL  89   9.216 -15.407  14.319
  709   HG23  VAL  89          HG22      VAL  89  10.979 -15.204  14.228
  710    H    TYR  90           H        TYR  90  13.099 -17.266  17.356
  711    HA   TYR  90           HA       TYR  90  12.279 -19.654  18.872
  712    HD1  TYR  90           HD1      TYR  90  16.321 -18.397  19.601
  713    HD2  TYR  90           HD2      TYR  90  14.934 -19.395  15.639
  714    HE1  TYR  90           HE1      TYR  90  18.178 -17.087  18.628
  715    HE2  TYR  90           HE2      TYR  90  16.786 -18.089  14.651
  716    HH   TYR  90           HH       TYR  90  19.217 -16.360  16.670
  717    HB2  TYR  90           HB2      TYR  90  14.688 -20.311  19.167
  718    HB3  TYR  90           HB3      TYR  90  14.045 -20.537  17.557
  719    H    SER  91           H        SER  91  12.478 -16.476  18.898
  720    HA   SER  91           HA       SER  91  14.110 -15.599  20.969
  721    HG   SER  91           HG       SER  91  12.487 -13.310  18.692
  722    HB2  SER  91           HB2      SER  91  11.336 -14.541  20.308
  723    HB3  SER  91           HB3      SER  91  12.717 -13.645  20.958
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -6.975 -12.806  -0.312
    2    H2   MET   1           H2       MET   1  -5.855 -13.319  -1.400
    3    H3   MET   1           H3       MET   1  -6.816 -14.399  -0.630
    4    HA   MET   1           HA       MET   1  -4.633 -14.467   0.357
    5    HB2  MET   1           HB2      MET   1  -5.141 -11.486   0.715
    6    HB3  MET   1           HB3      MET   1  -4.004 -12.373   1.725
    7    HG2  MET   1           HG2      MET   1  -3.843 -12.196  -1.303
    8    HG3  MET   1           HG3      MET   1  -2.919 -11.220  -0.174
    9    HE1  MET   1           HE3      MET   1  -1.850 -13.166   2.108
   10    HE2  MET   1           HE1      MET   1  -0.309 -13.610   1.348
   11    HE3  MET   1           HE2      MET   1  -0.916 -11.950   1.203
   12    H    LEU   2           H        LEU   2  -4.738 -15.489   2.277
   13    HA   LEU   2           HA       LEU   2  -6.684 -14.621   4.354
   14    HG   LEU   2           HG       LEU   2  -8.440 -17.916   3.561
   15    HB2  LEU   2           HB2      LEU   2  -6.024 -17.477   3.485
   16    HB3  LEU   2           HB3      LEU   2  -6.822 -17.067   4.979
   17   HD11  LEU   2          HD11      LEU   2  -9.151 -15.972   4.905
   18   HD12  LEU   2          HD12      LEU   2  -8.830 -14.904   3.514
   19   HD13  LEU   2          HD13      LEU   2 -10.096 -16.142   3.417
   20   HD21  LEU   2          HD23      LEU   2  -8.995 -17.261   1.361
   21   HD22  LEU   2          HD21      LEU   2  -7.928 -15.855   1.404
   22   HD23  LEU   2          HD22      LEU   2  -7.239 -17.496   1.383
   23    H    GLN   3           H        GLN   3  -5.961 -15.523   6.464
   24    HA   GLN   3           HA       GLN   3  -3.027 -15.935   6.720
   25    HB2  GLN   3           HB2      GLN   3  -3.851 -13.705   7.608
   26    HB3  GLN   3           HB3      GLN   3  -4.942 -14.576   8.667
   27    HG2  GLN   3           HG2      GLN   3  -3.060 -15.599   9.853
   28    HG3  GLN   3           HG3      GLN   3  -1.913 -14.866   8.740
   29   HE21  GLN   3          HE22      GLN   3  -1.755 -12.368   8.732
   30   HE22  GLN   3          HE21      GLN   3  -2.153 -11.579  10.238
   31    H    TYR   4           H        TYR   4  -2.549 -17.792   7.926
   32    HA   TYR   4           HA       TYR   4  -4.768 -19.306   9.236
   33    HD1  TYR   4           HD1      TYR   4  -5.529 -19.244   6.741
   34    HD2  TYR   4           HD2      TYR   4  -3.605 -23.067   7.265
   35    HE1  TYR   4           HE1      TYR   4  -7.140 -20.254   5.190
   36    HE2  TYR   4           HE2      TYR   4  -5.221 -24.091   5.701
   37    HH   TYR   4           HH       TYR   4  -7.086 -23.745   4.349
   38    HB2  TYR   4           HB2      TYR   4  -2.473 -20.324   7.517
   39    HB3  TYR   4           HB3      TYR   4  -3.162 -21.294   8.787
   40    H    ARG   5           H        ARG   5  -4.090 -20.424  11.117
   41    HA   ARG   5           HA       ARG   5  -1.331 -19.986  12.122
   42    HE   ARG   5           HE       ARG   5  -0.734 -19.388  17.101
   43    HB2  ARG   5           HB2      ARG   5  -3.009 -18.564  13.433
   44    HB3  ARG   5           HB3      ARG   5  -3.833 -20.067  13.862
   45    HG2  ARG   5           HG2      ARG   5  -1.540 -20.825  14.867
   46    HG3  ARG   5           HG3      ARG   5  -1.051 -19.129  14.666
   47    HD2  ARG   5           HD2      ARG   5  -3.094 -18.479  16.024
   48    HD3  ARG   5           HD3      ARG   5  -3.414 -20.214  16.260
   49   HH11  ARG   5          HH21      ARG   5  -4.123 -19.615  18.194
   50   HH12  ARG   5          HH22      ARG   5  -3.702 -19.658  19.865
   51   HH21  ARG   5          HH11      ARG   5  -0.201 -19.435  19.190
   52   HH22  ARG   5          HH12      ARG   5  -1.380 -19.548  20.484
   53    H    ILE   6           H        ILE   6  -0.482 -21.993  12.856
   54    HA   ILE   6           HA       ILE   6  -2.276 -24.355  12.737
   55    HB   ILE   6           HB       ILE   6   0.429 -24.207  11.372
   56   HG12  ILE   6          HG12      ILE   6  -2.233 -24.357   9.908
   57   HG13  ILE   6          HG13      ILE   6  -1.371 -22.842  10.145
   58   HG21  ILE   6          HG21      ILE   6  -0.247 -26.418  10.401
   59   HG22  ILE   6          HG22      ILE   6  -0.083 -26.446  12.150
   60   HG23  ILE   6          HG23      ILE   6  -1.694 -26.382  11.417
   61   HD11  ILE   6          HD13      ILE   6   0.601 -23.717   8.959
   62   HD12  ILE   6          HD11      ILE   6  -0.312 -25.188   8.554
   63   HD13  ILE   6          HD12      ILE   6  -0.864 -23.606   7.968
   64    H    ILE   7           H        ILE   7  -1.658 -25.934  14.219
   65    HA   ILE   7           HA       ILE   7   0.726 -25.444  15.924
   66    HB   ILE   7           HB       ILE   7  -2.055 -26.201  16.910
   67   HG12  ILE   7          HG12      ILE   7  -2.054 -23.793  16.315
   68   HG13  ILE   7          HG13      ILE   7  -2.276 -24.085  18.022
   69   HG21  ILE   7          HG21      ILE   7  -0.367 -27.232  18.289
   70   HG22  ILE   7          HG22      ILE   7   0.545 -25.715  18.421
   71   HG23  ILE   7          HG23      ILE   7  -1.051 -25.874  19.188
   72   HD11  ILE   7          HD13      ILE   7   0.402 -23.300  16.817
   73   HD12  ILE   7          HD11      ILE   7  -0.773 -22.158  17.485
   74   HD13  ILE   7          HD12      ILE   7  -0.019 -23.367  18.540
   75    H    VAL   8           H        VAL   8   1.753 -27.432  16.455
   76    HA   VAL   8           HA       VAL   8   0.530 -29.920  15.370
   77    HB   VAL   8           HB       VAL   8   3.447 -29.414  14.869
   78   HG11  VAL   8          HG11      VAL   8   2.423 -31.590  14.379
   79   HG12  VAL   8          HG12      VAL   8   1.266 -30.820  13.275
   80   HG13  VAL   8          HG13      VAL   8   3.000 -30.822  12.897
   81   HG21  VAL   8          HG23      VAL   8   2.537 -27.321  13.931
   82   HG22  VAL   8          HG21      VAL   8   3.096 -28.413  12.678
   83   HG23  VAL   8          HG22      VAL   8   1.350 -28.260  12.991
   84    H    ASP   9           H        ASP   9   1.264 -31.838  16.416
   85    HA   ASP   9           HA       ASP   9   3.280 -31.588  18.559
   86    HB2  ASP   9           HB2      ASP   9   1.005 -31.258  19.595
   87    HB3  ASP   9           HB3      ASP   9   0.532 -32.822  18.943
   88    H    GLY  10           H        GLY  10   4.076 -33.712  19.216
   89    HA2  GLY  10           HA2      GLY  10   3.883 -36.212  18.624
   90    HA3  GLY  10           HA3      GLY  10   4.105 -35.648  16.960
   91    H    ARG  11           H        ARG  11   6.107 -36.893  16.922
   92    HA   ARG  11           HA       ARG  11   8.426 -35.664  18.307
   93    HE   ARG  11           HE       ARG  11  11.072 -38.040  14.636
   94    HB2  ARG  11           HB2      ARG  11   8.421 -38.125  17.677
   95    HB3  ARG  11           HB3      ARG  11   8.473 -37.628  15.979
   96    HG2  ARG  11           HG2      ARG  11  10.586 -36.346  16.470
   97    HG3  ARG  11           HG3      ARG  11  10.507 -36.911  18.136
   98    HD2  ARG  11           HD2      ARG  11  12.090 -38.270  16.939
   99    HD3  ARG  11           HD3      ARG  11  10.689 -39.249  17.368
  100   HH11  ARG  11          HH21      ARG  11  10.476 -40.959  16.596
  101   HH12  ARG  11          HH22      ARG  11  10.258 -41.981  15.226
  102   HH21  ARG  11          HH11      ARG  11  10.798 -39.353  12.889
  103   HH22  ARG  11          HH12      ARG  11  10.436 -41.050  13.040
  104    H    VAL  12           H        VAL  12   7.915 -33.497  17.711
  105    HA   VAL  12           HA       VAL  12   8.246 -32.847  14.822
  106    HB   VAL  12           HB       VAL  12   6.541 -31.107  15.102
  107   HG11  VAL  12          HG11      VAL  12   5.938 -33.354  14.255
  108   HG12  VAL  12          HG12      VAL  12   5.468 -33.840  15.891
  109   HG13  VAL  12          HG13      VAL  12   4.597 -32.532  15.079
  110   HG21  VAL  12          HG23      VAL  12   5.077 -30.966  17.007
  111   HG22  VAL  12          HG21      VAL  12   5.899 -32.300  17.832
  112   HG23  VAL  12          HG22      VAL  12   6.734 -30.761  17.588
  113    H    GLN  13           H        GLN  13  10.144 -32.751  17.310
  114    HA   GLN  13           HA       GLN  13  11.316 -30.185  16.483
  115    HB2  GLN  13           HB2      GLN  13  11.050 -30.999  19.416
  116    HB3  GLN  13           HB3      GLN  13  11.999 -29.656  18.772
  117    HG2  GLN  13           HG2      GLN  13   9.822 -28.673  17.887
  118    HG3  GLN  13           HG3      GLN  13   8.968 -29.913  18.800
  119   HE21  GLN  13          HE22      GLN  13   8.175 -27.501  19.576
  120   HE22  GLN  13          HE21      GLN  13   8.975 -26.939  21.018
  121    H    GLY  14           H        GLY  14  13.569 -30.347  16.433
  122    HA2  GLY  14           HA2      GLY  14  15.640 -31.344  16.501
  123    HA3  GLY  14           HA3      GLY  14  15.038 -32.607  17.594
  124    H    VAL  15           H        VAL  15  13.587 -31.653  14.472
  125    HA   VAL  15           HA       VAL  15  14.416 -34.229  13.227
  126    HB   VAL  15           HB       VAL  15  12.100 -34.612  12.451
  127   HG11  VAL  15          HG11      VAL  15  12.973 -35.787  14.468
  128   HG12  VAL  15          HG12      VAL  15  12.211 -34.548  15.484
  129   HG13  VAL  15          HG13      VAL  15  11.217 -35.585  14.438
  130   HG21  VAL  15          HG23      VAL  15  11.314 -32.400  14.399
  131   HG22  VAL  15          HG21      VAL  15  11.127 -32.384  12.633
  132   HG23  VAL  15          HG22      VAL  15  10.196 -33.525  13.608
  133    H    GLY  16           H        GLY  16  14.051 -30.848  12.944
  134    HA2  GLY  16           HA2      GLY  16  15.002 -29.656  11.141
  135    HA3  GLY  16           HA3      GLY  16  14.615 -30.980  10.023
  136    H    PHE  17           H        PHE  17  12.332 -29.853  12.564
  137    HA   PHE  17           HA       PHE  17  10.251 -29.823  10.557
  138    HD1  PHE  17           HD2      PHE  17   7.910 -27.615  11.701
  139    HD2  PHE  17           HD1      PHE  17   8.389 -31.755  12.776
  140    HE1  PHE  17           HE2      PHE  17   5.542 -28.057  11.088
  141    HE2  PHE  17           HE1      PHE  17   6.039 -32.198  12.135
  142    HZ   PHE  17           HZ       PHE  17   4.612 -30.355  11.272
  143    HB2  PHE  17           HB2      PHE  17  10.149 -30.288  13.162
  144    HB3  PHE  17           HB3      PHE  17   9.869 -28.559  13.268
  145    H    ARG  18           H        ARG  18  11.998 -27.193  12.397
  146    HA   ARG  18           HA       ARG  18  10.447 -25.079  11.201
  147    HE   ARG  18           HE       ARG  18  13.238 -26.044  14.691
  148    HB2  ARG  18           HB2      ARG  18  13.265 -25.150  12.354
  149    HB3  ARG  18           HB3      ARG  18  12.491 -23.669  11.799
  150    HG2  ARG  18           HG2      ARG  18  10.786 -23.752  13.439
  151    HG3  ARG  18           HG3      ARG  18  11.117 -25.434  13.864
  152    HD2  ARG  18           HD2      ARG  18  13.116 -23.184  14.313
  153    HD3  ARG  18           HD3      ARG  18  11.926 -23.704  15.521
  154   HH11  ARG  18          HH11      ARG  18  14.291 -22.977  16.198
  155   HH12  ARG  18          HH12      ARG  18  15.475 -23.736  17.202
  156   HH21  ARG  18          HH21      ARG  18  14.578 -27.023  16.131
  157   HH22  ARG  18          HH22      ARG  18  15.742 -26.118  17.092
  158    H    TYR  19           H        TYR  19  13.463 -26.695  10.143
  159    HA   TYR  19           HA       TYR  19  13.929 -24.969   7.922
  160    HD1  TYR  19           HD1      TYR  19  15.646 -24.713   6.497
  161    HD2  TYR  19           HD2      TYR  19  16.179 -28.977   6.960
  162    HE1  TYR  19           HE1      TYR  19  17.008 -24.765   4.438
  163    HE2  TYR  19           HE2      TYR  19  17.561 -29.031   4.914
  164    HH   TYR  19           HH       TYR  19  18.478 -27.791   3.164
  165    HB2  TYR  19           HB2      TYR  19  15.637 -26.423   8.942
  166    HB3  TYR  19           HB3      TYR  19  14.749 -27.854   8.437
  167    H    PHE  20           H        PHE  20  12.140 -28.092   8.213
  168    HA   PHE  20           HA       PHE  20  11.450 -28.347   5.486
  169    HD1  PHE  20           HD2      PHE  20  10.359 -30.822   4.656
  170    HD2  PHE  20           HD1      PHE  20   7.767 -29.237   7.725
  171    HE1  PHE  20           HE2      PHE  20   8.379 -31.730   3.464
  172    HE2  PHE  20           HE1      PHE  20   5.795 -30.128   6.514
  173    HZ   PHE  20           HZ       PHE  20   6.099 -31.399   4.400
  174    HB2  PHE  20           HB2      PHE  20  11.194 -30.188   7.009
  175    HB3  PHE  20           HB3      PHE  20  10.128 -29.272   8.061
  176    H    VAL  21           H        VAL  21   9.593 -26.776   8.187
  177    HA   VAL  21           HA       VAL  21   7.470 -25.945   6.479
  178    HB   VAL  21           HB       VAL  21   8.453 -24.862   9.147
  179   HG11  VAL  21          HG11      VAL  21   6.186 -23.910   9.407
  180   HG12  VAL  21          HG12      VAL  21   6.999 -23.185   8.015
  181   HG13  VAL  21          HG13      VAL  21   5.769 -24.442   7.768
  182   HG21  VAL  21          HG23      VAL  21   6.179 -26.773   8.414
  183   HG22  VAL  21          HG21      VAL  21   7.680 -27.246   9.206
  184   HG23  VAL  21          HG22      VAL  21   6.550 -26.185  10.051
  185    H    GLN  22           H        GLN  22  10.601 -24.361   7.299
  186    HA   GLN  22           HA       GLN  22  10.074 -21.852   6.087
  187    HB2  GLN  22           HB2      GLN  22  11.974 -22.368   7.607
  188    HB3  GLN  22           HB3      GLN  22  12.704 -23.350   6.340
  189    HG2  GLN  22           HG2      GLN  22  13.788 -21.226   6.298
  190    HG3  GLN  22           HG3      GLN  22  12.770 -21.343   4.864
  191   HE21  GLN  22          HE22      GLN  22  12.838 -18.993   4.674
  192   HE22  GLN  22          HE21      GLN  22  11.804 -18.013   5.702
  193    H    MET  23           H        MET  23  11.495 -24.895   4.665
  194    HA   MET  23           HA       MET  23  11.720 -23.572   2.093
  195    HB2  MET  23           HB2      MET  23  12.403 -25.686   1.181
  196    HB3  MET  23           HB3      MET  23  13.229 -25.396   2.712
  197    HG2  MET  23           HG2      MET  23  11.673 -26.944   3.837
  198    HG3  MET  23           HG3      MET  23  10.817 -27.216   2.319
  199    HE1  MET  23           HE3      MET  23  13.830 -28.020   4.574
  200    HE2  MET  23           HE1      MET  23  14.969 -28.853   3.494
  201    HE3  MET  23           HE2      MET  23  14.700 -27.106   3.323
  202    H    GLU  24           H        GLU  24   9.158 -25.619   3.579
  203    HA   GLU  24           HA       GLU  24   7.706 -25.922   1.137
  204    HB2  GLU  24           HB2      GLU  24   6.949 -26.135   4.078
  205    HB3  GLU  24           HB3      GLU  24   5.781 -26.392   2.789
  206    HG2  GLU  24           HG2      GLU  24   8.348 -28.004   3.124
  207    HG3  GLU  24           HG3      GLU  24   6.735 -28.507   3.624
  208    H    ALA  25           H        ALA  25   7.709 -23.369   3.630
  209    HA   ALA  25           HA       ALA  25   5.544 -21.866   2.449
  210    HB1  ALA  25           HB3      ALA  25   6.273 -21.436   4.754
  211    HB2  ALA  25           HB1      ALA  25   7.915 -21.051   4.195
  212    HB3  ALA  25           HB2      ALA  25   6.567 -19.991   3.769
  213    H    ASP  26           H        ASP  26   9.114 -21.910   2.047
  214    HA   ASP  26           HA       ASP  26   9.344 -19.620   0.441
  215    HB2  ASP  26           HB2      ASP  26  11.264 -20.796   1.526
  216    HB3  ASP  26           HB3      ASP  26  11.073 -22.126   0.394
  217    H    LYS  27           H        LYS  27   8.945 -23.070  -0.555
  218    HA   LYS  27           HA       LYS  27   9.094 -22.455  -3.324
  219    HB2  LYS  27           HB2      LYS  27   8.392 -24.731  -3.764
  220    HB3  LYS  27           HB3      LYS  27   9.622 -24.633  -2.524
  221    HG2  LYS  27           HG2      LYS  27   8.211 -26.297  -1.774
  222    HG3  LYS  27           HG3      LYS  27   7.770 -24.903  -0.796
  223    HD2  LYS  27           HD2      LYS  27   5.770 -24.531  -2.157
  224    HD3  LYS  27           HD3      LYS  27   6.216 -25.850  -3.247
  225    HE2  LYS  27           HE2      LYS  27   5.562 -26.084  -0.270
  226    HE3  LYS  27           HE3      LYS  27   4.444 -26.445  -1.585
  227    HZ1  LYS  27           HZ3      LYS  27   5.906 -28.261  -2.270
  228    HZ2  LYS  27           HZ1      LYS  27   6.966 -27.906  -1.037
  229    HZ3  LYS  27           HZ2      LYS  27   5.513 -28.421  -0.669
  230    H    ARG  28           H        ARG  28   6.553 -21.662  -1.247
  231    HA   ARG  28           HA       ARG  28   4.763 -21.212  -3.588
  232    HE   ARG  28           HE       ARG  28   1.551 -25.729  -2.713
  233    HB2  ARG  28           HB2      ARG  28   4.223 -22.467  -0.918
  234    HB3  ARG  28           HB3      ARG  28   3.039 -21.288  -1.451
  235    HG2  ARG  28           HG2      ARG  28   2.712 -22.473  -3.576
  236    HG3  ARG  28           HG3      ARG  28   3.937 -23.669  -3.144
  237    HD2  ARG  28           HD2      ARG  28   2.621 -24.407  -1.219
  238    HD3  ARG  28           HD3      ARG  28   1.430 -23.150  -1.490
  239   HH11  ARG  28          HH21      ARG  28   0.787 -22.446  -3.842
  240   HH12  ARG  28          HH22      ARG  28  -0.657 -22.929  -4.657
  241   HH21  ARG  28          HH11      ARG  28  -0.532 -26.279  -3.598
  242   HH22  ARG  28          HH12      ARG  28  -1.399 -25.108  -4.516
  243    H    LYS  29           H        LYS  29   6.914 -19.631  -1.851
  244    HA   LYS  29           HA       LYS  29   7.209 -17.578  -0.995
  245    HB2  LYS  29           HB2      LYS  29   5.418 -16.854  -3.340
  246    HB3  LYS  29           HB3      LYS  29   6.522 -15.755  -2.500
  247    HG2  LYS  29           HG2      LYS  29   8.442 -17.236  -3.114
  248    HG3  LYS  29           HG3      LYS  29   7.348 -18.235  -4.077
  249    HD2  LYS  29           HD2      LYS  29   7.900 -15.271  -4.532
  250    HD3  LYS  29           HD3      LYS  29   8.626 -16.608  -5.435
  251    HE2  LYS  29           HE2      LYS  29   6.362 -17.326  -6.193
  252    HE3  LYS  29           HE3      LYS  29   5.645 -15.957  -5.332
  253    HZ1  LYS  29           HZ3      LYS  29   6.906 -14.471  -6.779
  254    HZ2  LYS  29           HZ1      LYS  29   7.564 -15.738  -7.578
  255    HZ3  LYS  29           HZ2      LYS  29   5.963 -15.459  -7.666
  256    H    LEU  30           H        LEU  30   5.355 -18.843   0.588
  257    HA   LEU  30           HA       LEU  30   3.135 -17.088   1.269
  258    HG   LEU  30           HG       LEU  30   3.477 -20.286   1.123
  259    HB2  LEU  30           HB2      LEU  30   4.702 -19.113   2.919
  260    HB3  LEU  30           HB3      LEU  30   3.227 -18.318   3.430
  261   HD11  LEU  30          HD11      LEU  30   2.049 -20.543   3.803
  262   HD12  LEU  30          HD12      LEU  30   2.187 -21.778   2.536
  263   HD13  LEU  30          HD13      LEU  30   3.623 -21.256   3.429
  264   HD21  LEU  30          HD23      LEU  30   1.697 -18.699   0.574
  265   HD22  LEU  30          HD21      LEU  30   0.966 -20.217   1.114
  266   HD23  LEU  30          HD22      LEU  30   1.029 -18.835   2.218
  267    H    ALA  31           H        ALA  31   3.146 -15.928   3.407
  268    HA   ALA  31           HA       ALA  31   5.823 -14.996   4.314
  269    HB1  ALA  31           HB3      ALA  31   3.281 -13.310   4.208
  270    HB2  ALA  31           HB1      ALA  31   4.818 -12.842   4.953
  271    HB3  ALA  31           HB2      ALA  31   4.731 -13.074   3.196
  272    H    GLY  32           H        GLY  32   5.803 -14.603   6.718
  273    HA2  GLY  32           HA2      GLY  32   4.016 -14.886   8.652
  274    HA3  GLY  32           HA3      GLY  32   3.960 -16.521   7.993
  275    H    TRP  33           H        TRP  33   4.701 -17.372  10.022
  276    HA   TRP  33           HA       TRP  33   7.548 -17.540  10.013
  277    HD1  TRP  33           HD1      TRP  33   5.615 -18.292  13.794
  278    HE1  TRP  33           HE1      TRP  33   3.733 -17.142  15.080
  279    HE3  TRP  33           HE3      TRP  33   5.943 -13.633  11.693
  280    HZ2  TRP  33           HZ2      TRP  33   2.627 -14.470  15.314
  281    HZ3  TRP  33           HZ3      TRP  33   4.454 -11.807  12.464
  282    HH2  TRP  33           HH2      TRP  33   2.803 -12.209  14.278
  283    HB2  TRP  33           HB2      TRP  33   7.819 -17.107  12.461
  284    HB3  TRP  33           HB3      TRP  33   7.400 -15.682  11.535
  285    H    VAL  34           H        VAL  34   8.383 -19.194  11.521
  286    HA   VAL  34           HA       VAL  34   6.377 -21.110  12.575
  287    HB   VAL  34           HB       VAL  34   7.170 -22.078  10.494
  288   HG11  VAL  34          HG11      VAL  34  10.018 -21.953  11.558
  289   HG12  VAL  34          HG12      VAL  34   9.479 -22.700  10.045
  290   HG13  VAL  34          HG13      VAL  34   9.373 -20.949  10.247
  291   HG21  VAL  34          HG23      VAL  34   8.500 -23.530  12.816
  292   HG22  VAL  34          HG21      VAL  34   6.766 -23.554  12.471
  293   HG23  VAL  34          HG22      VAL  34   7.909 -24.236  11.308
  294    H    LYS  35           H        LYS  35   6.972 -21.967  14.616
  295    HA   LYS  35           HA       LYS  35   9.687 -21.448  15.598
  296    HB2  LYS  35           HB2      LYS  35   8.942 -20.366  17.651
  297    HB3  LYS  35           HB3      LYS  35   8.501 -19.418  16.237
  298    HG2  LYS  35           HG2      LYS  35   6.141 -20.290  16.412
  299    HG3  LYS  35           HG3      LYS  35   6.621 -21.213  17.843
  300    HD2  LYS  35           HD2      LYS  35   5.547 -19.242  18.626
  301    HD3  LYS  35           HD3      LYS  35   7.274 -19.070  18.965
  302    HE2  LYS  35           HE2      LYS  35   7.451 -17.702  16.811
  303    HE3  LYS  35           HE3      LYS  35   5.687 -17.769  16.698
  304    HZ1  LYS  35           HZ3      LYS  35   6.411 -15.742  17.781
  305    HZ2  LYS  35           HZ1      LYS  35   5.630 -16.651  18.891
  306    HZ3  LYS  35           HZ2      LYS  35   7.276 -16.573  18.899
  307    H    ASN  36           H        ASN  36  10.272 -22.769  17.336
  308    HA   ASN  36           HA       ASN  36   8.609 -25.180  17.851
  309    HB2  ASN  36           HB2      ASN  36  11.471 -24.328  18.492
  310    HB3  ASN  36           HB3      ASN  36  10.679 -25.577  19.420
  311   HD21  ASN  36          HD22      ASN  36  12.712 -26.708  18.442
  312   HD22  ASN  36          HD21      ASN  36  12.552 -27.477  16.876
  313    H    ARG  37           H        ARG  37   7.212 -25.084  19.590
  314    HA   ARG  37           HA       ARG  37   7.304 -22.764  21.410
  315    HE   ARG  37           HE       ARG  37   3.046 -24.174  22.721
  316    HB2  ARG  37           HB2      ARG  37   5.491 -25.226  21.274
  317    HB3  ARG  37           HB3      ARG  37   5.378 -23.953  22.491
  318    HG2  ARG  37           HG2      ARG  37   4.996 -22.262  20.684
  319    HG3  ARG  37           HG3      ARG  37   5.051 -23.552  19.476
  320    HD2  ARG  37           HD2      ARG  37   2.722 -22.896  20.074
  321    HD3  ARG  37           HD3      ARG  37   3.053 -24.588  20.403
  322   HH11  ARG  37          HH21      ARG  37   2.317 -21.109  20.957
  323   HH12  ARG  37          HH22      ARG  37   1.934 -20.283  22.426
  324   HH21  ARG  37          HH11      ARG  37   2.598 -23.107  24.506
  325   HH22  ARG  37          HH12      ARG  37   2.046 -21.446  24.531
  326    H    ASP  38           H        ASP  38   7.813 -22.929  23.643
  327    HA   ASP  38           HA       ASP  38   9.858 -24.785  24.340
  328    HB2  ASP  38           HB2      ASP  38   9.672 -22.569  25.368
  329    HB3  ASP  38           HB3      ASP  38   8.109 -22.994  26.072
  330    H    ASP  39           H        ASP  39   6.365 -24.860  24.788
  331    HA   ASP  39           HA       ASP  39   6.299 -27.101  26.553
  332    HB2  ASP  39           HB2      ASP  39   3.930 -27.178  26.156
  333    HB3  ASP  39           HB3      ASP  39   4.459 -25.524  26.410
  334    H    GLY  40           H        GLY  40   7.321 -27.044  23.350
  335    HA2  GLY  40           HA2      GLY  40   8.306 -28.985  22.480
  336    HA3  GLY  40           HA3      GLY  40   7.080 -29.997  23.239
  337    H    ARG  41           H        ARG  41   5.083 -27.752  22.025
  338    HA   ARG  41           HA       ARG  41   4.487 -29.236  19.592
  339    HE   ARG  41           HE       ARG  41   2.122 -26.753  22.784
  340    HB2  ARG  41           HB2      ARG  41   3.399 -26.692  20.858
  341    HB3  ARG  41           HB3      ARG  41   2.762 -27.353  19.356
  342    HG2  ARG  41           HG2      ARG  41   2.186 -29.462  20.445
  343    HG3  ARG  41           HG3      ARG  41   2.863 -28.916  21.983
  344    HD2  ARG  41           HD2      ARG  41   0.549 -27.569  20.539
  345    HD3  ARG  41           HD3      ARG  41   0.380 -28.753  21.850
  346   HH11  ARG  41          HH21      ARG  41  -1.308 -27.046  21.839
  347   HH12  ARG  41          HH22      ARG  41  -1.859 -25.815  22.912
  348   HH21  ARG  41          HH11      ARG  41   1.388 -25.134  24.209
  349   HH22  ARG  41          HH12      ARG  41  -0.298 -24.708  24.314
  350    H    VAL  42           H        VAL  42   4.100 -27.936  17.568
  351    HA   VAL  42           HA       VAL  42   6.200 -25.846  17.108
  352    HB   VAL  42           HB       VAL  42   4.866 -27.680  15.074
  353   HG11  VAL  42          HG11      VAL  42   5.200 -25.469  14.063
  354   HG12  VAL  42          HG12      VAL  42   6.884 -25.434  14.635
  355   HG13  VAL  42          HG13      VAL  42   6.367 -26.609  13.410
  356   HG21  VAL  42          HG23      VAL  42   7.780 -27.450  15.943
  357   HG22  VAL  42          HG21      VAL  42   6.683 -28.783  16.343
  358   HG23  VAL  42          HG22      VAL  42   7.147 -28.511  14.668
  359    H    GLU  43           H        GLU  43   5.399 -23.919  16.201
  360    HA   GLU  43           HA       GLU  43   2.483 -23.696  15.796
  361    HB2  GLU  43           HB2      GLU  43   2.706 -22.847  17.963
  362    HB3  GLU  43           HB3      GLU  43   4.200 -21.959  17.604
  363    HG2  GLU  43           HG2      GLU  43   3.029 -20.333  16.288
  364    HG3  GLU  43           HG3      GLU  43   1.557 -21.305  16.261
  365    H    ILE  44           H        ILE  44   1.972 -22.374  14.114
  366    HA   ILE  44           HA       ILE  44   4.128 -21.090  12.565
  367    HB   ILE  44           HB       ILE  44   1.978 -22.754  11.267
  368   HG12  ILE  44          HG12      ILE  44   4.608 -23.963  12.193
  369   HG13  ILE  44          HG13      ILE  44   2.995 -24.412  12.750
  370   HG21  ILE  44          HG21      ILE  44   3.584 -22.852   9.399
  371   HG22  ILE  44          HG22      ILE  44   3.339 -21.186   9.902
  372   HG23  ILE  44          HG23      ILE  44   4.802 -22.052  10.410
  373   HD11  ILE  44          HD13      ILE  44   4.142 -24.936   9.998
  374   HD12  ILE  44          HD11      ILE  44   3.707 -26.095  11.256
  375   HD13  ILE  44          HD12      ILE  44   2.434 -25.166  10.434
  376    H    LEU  45           H        LEU  45   3.286 -19.327  11.359
  377    HA   LEU  45           HA       LEU  45   0.376 -18.907  11.276
  378    HG   LEU  45           HG       LEU  45  -0.731 -16.818  11.942
  379    HB2  LEU  45           HB2      LEU  45   1.301 -17.620  13.238
  380    HB3  LEU  45           HB3      LEU  45   2.320 -16.709  12.126
  381   HD11  LEU  45          HD11      LEU  45  -0.790 -14.688  13.118
  382   HD12  LEU  45          HD12      LEU  45  -0.002 -15.903  14.131
  383   HD13  LEU  45          HD13      LEU  45   0.979 -14.690  13.278
  384   HD21  LEU  45          HD23      LEU  45   0.106 -15.952   9.856
  385   HD22  LEU  45          HD21      LEU  45  -0.319 -14.533  10.794
  386   HD23  LEU  45          HD22      LEU  45   1.379 -15.010  10.669
  387    H    ALA  46           H        ALA  46  -0.094 -18.348   9.125
  388    HA   ALA  46           HA       ALA  46   2.159 -17.550   7.376
  389    HB1  ALA  46           HB3      ALA  46   1.623 -19.345   5.783
  390    HB2  ALA  46           HB1      ALA  46   2.153 -20.006   7.340
  391    HB3  ALA  46           HB2      ALA  46   0.424 -20.011   6.914
  392    H    GLU  47           H        GLU  47   1.445 -16.743   5.322
  393    HA   GLU  47           HA       GLU  47  -1.402 -15.920   5.127
  394    HB2  GLU  47           HB2      GLU  47   1.095 -14.170   4.915
  395    HB3  GLU  47           HB3      GLU  47  -0.544 -13.659   4.477
  396    HG2  GLU  47           HG2      GLU  47  -1.302 -14.066   6.777
  397    HG3  GLU  47           HG3      GLU  47   0.337 -14.524   7.272
  398    H    GLY  48           H        GLY  48  -2.161 -16.027   3.034
  399    HA2  GLY  48           HA2      GLY  48  -0.660 -15.890   0.638
  400    HA3  GLY  48           HA3      GLY  48  -0.649 -17.572   1.177
  401    HA   PRO  49           HA       PRO  49  -4.751 -16.991  -0.963
  402    HB2  PRO  49           HB2      PRO  49  -4.357 -18.643  -3.111
  403    HB3  PRO  49           HB3      PRO  49  -3.949 -16.900  -3.131
  404    HG2  PRO  49           HG2      PRO  49  -2.109 -19.246  -2.666
  405    HG3  PRO  49           HG3      PRO  49  -1.837 -17.821  -3.711
  406    HD2  PRO  49           HD2      PRO  49  -0.807 -18.026  -1.165
  407    HD3  PRO  49           HD3      PRO  49  -1.289 -16.460  -1.878
  408    H    GLU  50           H        GLU  50  -6.338 -18.718  -1.000
  409    HA   GLU  50           HA       GLU  50  -6.088 -20.367   1.232
  410    HB2  GLU  50           HB2      GLU  50  -8.201 -19.500   0.222
  411    HB3  GLU  50           HB3      GLU  50  -8.036 -20.666  -1.096
  412    HG2  GLU  50           HG2      GLU  50  -8.170 -22.529   0.556
  413    HG3  GLU  50           HG3      GLU  50  -8.295 -21.354   1.867
  414    H    ASN  51           H        ASN  51  -5.804 -21.322  -2.249
  415    HA   ASN  51           HA       ASN  51  -5.527 -24.103  -1.763
  416    HB2  ASN  51           HB2      ASN  51  -5.971 -23.247  -4.006
  417    HB3  ASN  51           HB3      ASN  51  -4.431 -22.377  -4.025
  418   HD21  ASN  51          HD22      ASN  51  -5.796 -25.727  -3.791
  419   HD22  ASN  51          HD21      ASN  51  -4.416 -26.492  -4.527
  420    H    ALA  52           H        ALA  52  -3.106 -21.518  -1.700
  421    HA   ALA  52           HA       ALA  52  -0.830 -23.300  -1.535
  422    HB1  ALA  52           HB3      ALA  52   0.414 -21.269  -0.872
  423    HB2  ALA  52           HB1      ALA  52  -0.585 -20.946  -2.296
  424    HB3  ALA  52           HB2      ALA  52  -1.100 -20.376  -0.687
  425    H    LEU  53           H        LEU  53  -2.822 -21.494   0.860
  426    HA   LEU  53           HA       LEU  53  -1.315 -22.420   3.108
  427    HG   LEU  53           HG       LEU  53  -2.176 -19.738   2.315
  428    HB2  LEU  53           HB2      LEU  53  -4.134 -21.321   2.825
  429    HB3  LEU  53           HB3      LEU  53  -3.364 -21.650   4.370
  430   HD11  LEU  53          HD11      LEU  53  -3.074 -17.936   3.702
  431   HD12  LEU  53          HD12      LEU  53  -4.368 -18.952   3.058
  432   HD13  LEU  53          HD13      LEU  53  -3.867 -19.111   4.762
  433   HD21  LEU  53          HD23      LEU  53  -0.497 -20.571   3.908
  434   HD22  LEU  53          HD21      LEU  53  -0.883 -18.888   4.252
  435   HD23  LEU  53          HD22      LEU  53  -1.566 -20.172   5.271
  436    H    GLN  54           H        GLN  54  -4.213 -23.787   1.457
  437    HA   GLN  54           HA       GLN  54  -4.647 -25.935   3.279
  438    HB2  GLN  54           HB2      GLN  54  -5.125 -25.591   0.289
  439    HB3  GLN  54           HB3      GLN  54  -5.587 -27.050   1.165
  440    HG2  GLN  54           HG2      GLN  54  -7.054 -25.801   2.642
  441    HG3  GLN  54           HG3      GLN  54  -6.615 -24.276   1.885
  442   HE21  GLN  54          HE22      GLN  54  -9.134 -26.303   2.009
  443   HE22  GLN  54          HE21      GLN  54  -9.737 -26.197   0.374
  444    H    SER  55           H        SER  55  -2.586 -25.746   0.290
  445    HA   SER  55           HA       SER  55  -1.589 -28.400   0.496
  446    HG   SER  55           HG       SER  55  -2.179 -26.148  -1.629
  447    HB2  SER  55           HB2      SER  55  -0.181 -25.939  -0.632
  448    HB3  SER  55           HB3      SER  55   0.177 -27.632  -1.011
  449    H    PHE  56           H        PHE  56  -0.437 -25.334   1.931
  450    HA   PHE  56           HA       PHE  56   1.961 -26.311   3.058
  451    HD1  PHE  56           HD2      PHE  56   3.820 -24.602   3.517
  452    HD2  PHE  56           HD1      PHE  56   0.567 -23.227   6.001
  453    HE1  PHE  56           HE2      PHE  56   5.446 -23.677   5.150
  454    HE2  PHE  56           HE1      PHE  56   2.194 -22.298   7.612
  455    HZ   PHE  56           HZ       PHE  56   4.633 -22.472   7.164
  456    HB2  PHE  56           HB2      PHE  56   1.360 -23.960   2.669
  457    HB3  PHE  56           HB3      PHE  56   0.102 -24.056   3.886
  458    H    VAL  57           H        VAL  57  -1.405 -26.113   4.448
  459    HA   VAL  57           HA       VAL  57  -0.745 -27.294   6.946
  460    HB   VAL  57           HB       VAL  57  -3.303 -27.157   5.319
  461   HG11  VAL  57          HG11      VAL  57  -4.539 -27.969   7.303
  462   HG12  VAL  57          HG12      VAL  57  -3.518 -29.225   6.614
  463   HG13  VAL  57          HG13      VAL  57  -2.997 -28.385   8.094
  464   HG21  VAL  57          HG23      VAL  57  -2.431 -25.079   6.433
  465   HG22  VAL  57          HG21      VAL  57  -3.997 -25.609   7.065
  466   HG23  VAL  57          HG22      VAL  57  -2.523 -25.923   7.993
  467    H    GLU  58           H        GLU  58  -1.805 -28.828   3.837
  468    HA   GLU  58           HA       GLU  58  -1.845 -31.487   4.725
  469    HB2  GLU  58           HB2      GLU  58  -1.139 -30.317   2.011
  470    HB3  GLU  58           HB3      GLU  58  -1.325 -32.037   2.282
  471    HG2  GLU  58           HG2      GLU  58  -3.570 -30.119   2.996
  472    HG3  GLU  58           HG3      GLU  58  -3.309 -30.642   1.338
  473    H    ALA  59           H        ALA  59   0.900 -29.548   3.630
  474    HA   ALA  59           HA       ALA  59   2.845 -31.658   3.679
  475    HB1  ALA  59           HB3      ALA  59   3.171 -29.568   2.403
  476    HB2  ALA  59           HB1      ALA  59   3.243 -28.641   3.918
  477    HB3  ALA  59           HB2      ALA  59   4.493 -29.838   3.552
  478    H    VAL  60           H        VAL  60   1.925 -29.106   6.051
  479    HA   VAL  60           HA       VAL  60   3.785 -29.849   8.069
  480    HB   VAL  60           HB       VAL  60   1.130 -28.364   8.141
  481   HG11  VAL  60          HG11      VAL  60   3.202 -28.610  10.356
  482   HG12  VAL  60          HG12      VAL  60   1.816 -27.501  10.355
  483   HG13  VAL  60          HG13      VAL  60   1.548 -29.239  10.418
  484   HG21  VAL  60          HG23      VAL  60   3.146 -27.330   6.909
  485   HG22  VAL  60          HG21      VAL  60   2.493 -26.373   8.239
  486   HG23  VAL  60          HG22      VAL  60   3.979 -27.320   8.461
  487    H    LYS  61           H        LYS  61   0.594 -31.278   7.216
  488    HA   LYS  61           HA       LYS  61   0.281 -32.810   9.577
  489    HB2  LYS  61           HB2      LYS  61  -0.364 -33.820   6.778
  490    HB3  LYS  61           HB3      LYS  61  -1.002 -34.401   8.316
  491    HG2  LYS  61           HG2      LYS  61  -2.076 -32.170   8.671
  492    HG3  LYS  61           HG3      LYS  61  -1.569 -31.729   7.022
  493    HD2  LYS  61           HD2      LYS  61  -2.876 -33.512   6.061
  494    HD3  LYS  61           HD3      LYS  61  -3.314 -34.134   7.668
  495    HE2  LYS  61           HE2      LYS  61  -4.589 -32.157   8.199
  496    HE3  LYS  61           HE3      LYS  61  -3.966 -31.299   6.780
  497    HZ1  LYS  61           HZ3      LYS  61  -6.214 -32.146   6.433
  498    HZ2  LYS  61           HZ1      LYS  61  -5.144 -32.761   5.356
  499    HZ3  LYS  61           HZ2      LYS  61  -5.700 -33.688   6.606
  500    H    ASN  62           H        ASN  62   2.478 -33.332   6.813
  501    HA   ASN  62           HA       ASN  62   3.290 -35.952   7.802
  502    HB2  ASN  62           HB2      ASN  62   3.309 -35.390   5.357
  503    HB3  ASN  62           HB3      ASN  62   4.608 -34.232   5.661
  504   HD21  ASN  62          HD22      ASN  62   6.765 -35.065   6.167
  505   HD22  ASN  62          HD21      ASN  62   7.130 -36.765   5.982
  506    H    GLY  63           H        GLY  63   4.563 -32.640   7.666
  507    HA2  GLY  63           HA2      GLY  63   6.236 -31.590   8.923
  508    HA3  GLY  63           HA3      GLY  63   6.461 -33.064   9.873
  509    H    SER  64           H        SER  64   8.797 -32.605   9.488
  510    HA   SER  64           HA       SER  64   9.999 -32.717   6.898
  511    HG   SER  64           HG       SER  64  12.132 -33.480  10.252
  512    HB2  SER  64           HB2      SER  64  12.073 -32.943   8.136
  513    HB3  SER  64           HB3      SER  64  11.050 -31.787   8.989
  514    HA   PRO  65           HA       PRO  65  10.300 -37.097   5.983
  515    HB2  PRO  65           HB2      PRO  65  13.302 -36.759   6.115
  516    HB3  PRO  65           HB3      PRO  65  12.319 -37.617   4.886
  517    HG2  PRO  65           HG2      PRO  65  13.247 -35.133   4.367
  518    HG3  PRO  65           HG3      PRO  65  11.549 -35.546   3.957
  519    HD2  PRO  65           HD2      PRO  65  12.593 -34.048   6.365
  520    HD3  PRO  65           HD3      PRO  65  11.187 -33.669   5.323
  521    H    PHE  66           H        PHE  66  11.731 -35.881   8.940
  522    HA   PHE  66           HA       PHE  66  11.794 -38.649  10.037
  523    HD1  PHE  66           HD2      PHE  66  13.374 -40.134  10.873
  524    HD2  PHE  66           HD1      PHE  66  14.605 -36.524  12.892
  525    HE1  PHE  66           HE2      PHE  66  14.070 -41.467  12.842
  526    HE2  PHE  66           HE1      PHE  66  15.296 -37.863  14.860
  527    HZ   PHE  66           HZ       PHE  66  15.023 -40.337  14.845
  528    HB2  PHE  66           HB2      PHE  66  14.064 -37.674   9.705
  529    HB3  PHE  66           HB3      PHE  66  13.624 -36.341  10.768
  530    H    SER  67           H        SER  67   9.893 -35.984  10.039
  531    HA   SER  67           HA       SER  67   9.360 -35.690  12.879
  532    HG   SER  67           HG       SER  67   9.746 -33.863  10.841
  533    HB2  SER  67           HB2      SER  67   7.735 -35.099  10.371
  534    HB3  SER  67           HB3      SER  67   7.262 -34.644  12.019
  535    H    LYS  68           H        LYS  68   7.462 -36.471  13.884
  536    HA   LYS  68           HA       LYS  68   5.849 -38.545  12.552
  537    HB2  LYS  68           HB2      LYS  68   7.733 -39.658  13.917
  538    HB3  LYS  68           HB3      LYS  68   6.895 -39.106  15.359
  539    HG2  LYS  68           HG2      LYS  68   5.717 -40.898  13.188
  540    HG3  LYS  68           HG3      LYS  68   6.427 -41.452  14.704
  541    HD2  LYS  68           HD2      LYS  68   4.650 -40.182  15.966
  542    HD3  LYS  68           HD3      LYS  68   3.920 -39.751  14.415
  543    HE2  LYS  68           HE2      LYS  68   2.689 -41.598  15.257
  544    HE3  LYS  68           HE3      LYS  68   3.626 -42.159  13.872
  545    HZ1  LYS  68           HZ3      LYS  68   4.351 -42.599  16.717
  546    HZ2  LYS  68           HZ1      LYS  68   3.710 -43.714  15.721
  547    HZ3  LYS  68           HZ2      LYS  68   5.207 -43.148  15.433
  548    H    VAL  69           H        VAL  69   4.542 -36.629  12.397
  549    HA   VAL  69           HA       VAL  69   3.560 -35.142  14.645
  550    HB   VAL  69           HB       VAL  69   2.417 -35.727  11.878
  551   HG11  VAL  69          HG11      VAL  69   1.050 -33.643  12.222
  552   HG12  VAL  69          HG12      VAL  69   0.563 -34.986  13.256
  553   HG13  VAL  69          HG13      VAL  69   1.530 -33.663  13.934
  554   HG21  VAL  69          HG23      VAL  69   3.246 -33.487  11.281
  555   HG22  VAL  69          HG21      VAL  69   3.909 -33.275  12.906
  556   HG23  VAL  69          HG22      VAL  69   4.585 -34.501  11.808
  557    H    THR  70           H        THR  70   1.871 -35.628  16.053
  558    HA   THR  70           HA       THR  70   0.282 -38.101  15.558
  559    HB   THR  70           HB       THR  70   0.162 -38.286  18.028
  560    HG1  THR  70           HG1      THR  70   1.345 -36.965  19.295
  561   HG21  THR  70          HG23      THR  70   1.922 -39.524  16.743
  562   HG22  THR  70          HG21      THR  70   3.043 -38.171  17.018
  563   HG23  THR  70          HG22      THR  70   2.433 -39.119  18.391
  564    H    ASP  71           H        ASP  71   0.204 -34.629  16.130
  565    HA   ASP  71           HA       ASP  71  -2.686 -34.664  15.697
  566    HB2  ASP  71           HB2      ASP  71  -2.537 -34.838  18.171
  567    HB3  ASP  71           HB3      ASP  71  -1.469 -33.434  18.207
  568    H    ILE  72           H        ILE  72  -3.451 -32.568  15.038
  569    HA   ILE  72           HA       ILE  72  -1.594 -30.378  14.706
  570    HB   ILE  72           HB       ILE  72  -1.024 -31.765  12.769
  571   HG12  ILE  72          HG12      ILE  72  -2.568 -29.252  12.014
  572   HG13  ILE  72          HG13      ILE  72  -0.890 -29.352  12.556
  573   HG21  ILE  72          HG21      ILE  72  -3.901 -31.534  11.805
  574   HG22  ILE  72          HG22      ILE  72  -2.558 -32.387  11.016
  575   HG23  ILE  72          HG23      ILE  72  -3.199 -32.996  12.530
  576   HD11  ILE  72          HD13      ILE  72  -2.059 -30.351   9.940
  577   HD12  ILE  72          HD11      ILE  72  -0.862 -29.081  10.182
  578   HD13  ILE  72          HD12      ILE  72  -0.422 -30.778  10.489
  579    H    SER  73           H        SER  73  -2.760 -28.426  14.433
  580    HA   SER  73           HA       SER  73  -5.716 -28.523  14.195
  581    HG   SER  73           HG       SER  73  -5.354 -28.426  17.779
  582    HB2  SER  73           HB2      SER  73  -4.199 -27.017  16.374
  583    HB3  SER  73           HB3      SER  73  -5.948 -26.991  16.100
  584    H    VAL  74           H        VAL  74  -6.574 -26.486  13.428
  585    HA   VAL  74           HA       VAL  74  -4.613 -24.536  12.383
  586    HB   VAL  74           HB       VAL  74  -6.810 -25.839  10.717
  587   HG11  VAL  74          HG11      VAL  74  -5.663 -24.709   8.805
  588   HG12  VAL  74          HG12      VAL  74  -6.326 -23.560   9.959
  589   HG13  VAL  74          HG13      VAL  74  -4.583 -23.893   9.957
  590   HG21  VAL  74          HG23      VAL  74  -5.053 -27.512  11.040
  591   HG22  VAL  74          HG21      VAL  74  -5.001 -26.893   9.394
  592   HG23  VAL  74          HG22      VAL  74  -3.809 -26.326  10.580
  593    H    THR  75           H        THR  75  -5.463 -22.469  12.179
  594    HA   THR  75           HA       THR  75  -8.333 -21.958  12.594
  595    HB   THR  75           HB       THR  75  -6.229 -20.244  13.962
  596    HG1  THR  75           HG1      THR  75  -6.102 -22.315  14.876
  597   HG21  THR  75          HG23      THR  75  -8.417 -19.183  13.729
  598   HG22  THR  75          HG21      THR  75  -9.222 -20.604  14.434
  599   HG23  THR  75          HG22      THR  75  -8.145 -19.592  15.423
  600    H    GLU  76           H        GLU  76  -8.803 -19.687  11.617
  601    HA   GLU  76           HA       GLU  76  -6.721 -18.690   9.826
  602    HB2  GLU  76           HB2      GLU  76  -7.982 -19.037   7.789
  603    HB3  GLU  76           HB3      GLU  76  -7.696 -20.589   8.574
  604    HG2  GLU  76           HG2      GLU  76 -10.034 -20.492   9.517
  605    HG3  GLU  76           HG3      GLU  76 -10.295 -18.993   8.622
  606    H    SER  77           H        SER  77  -7.404 -16.781   8.633
  607    HA   SER  77           HA       SER  77  -9.698 -15.232   9.664
  608    HG   SER  77           HG       SER  77  -8.458 -14.960  11.897
  609    HB2  SER  77           HB2      SER  77  -6.807 -14.224   9.689
  610    HB3  SER  77           HB3      SER  77  -8.239 -13.353  10.244
  611    H    ARG  78           H        ARG  78 -10.411 -13.745   8.082
  612    HA   ARG  78           HA       ARG  78  -9.008 -13.647   5.499
  613    HE   ARG  78           HE       ARG  78 -10.705 -11.268   1.557
  614    HB2  ARG  78           HB2      ARG  78 -11.448 -13.531   5.489
  615    HB3  ARG  78           HB3      ARG  78 -11.432 -12.147   6.583
  616    HG2  ARG  78           HG2      ARG  78 -11.914 -11.486   4.263
  617    HG3  ARG  78           HG3      ARG  78 -10.457 -10.718   4.878
  618    HD2  ARG  78           HD2      ARG  78  -9.099 -12.503   3.646
  619    HD3  ARG  78           HD3      ARG  78 -10.616 -13.087   2.964
  620   HH11  ARG  78          HH21      ARG  78  -8.100 -10.700   3.938
  621   HH12  ARG  78          HH22      ARG  78  -7.457  -9.339   3.085
  622   HH21  ARG  78          HH11      ARG  78  -9.811  -9.481   0.437
  623   HH22  ARG  78          HH12      ARG  78  -8.435  -8.650   1.050
  624    H    SER  79           H        SER  79  -9.212 -11.735   8.505
  625    HA   SER  79           HA       SER  79  -7.875  -9.425   7.714
  626    HG   SER  79           HG       SER  79  -9.493  -9.771  10.951
  627    HB2  SER  79           HB2      SER  79  -7.557 -10.892  10.364
  628    HB3  SER  79           HB3      SER  79  -7.475  -9.145  10.070
  629    H    LEU  80           H        LEU  80  -5.690  -8.854   7.852
  630    HA   LEU  80           HA       LEU  80  -3.664 -11.041   7.659
  631    HG   LEU  80           HG       LEU  80  -5.592 -10.223   5.155
  632    HB2  LEU  80           HB2      LEU  80  -3.878  -8.582   5.877
  633    HB3  LEU  80           HB3      LEU  80  -2.641  -9.829   5.781
  634   HD11  LEU  80          HD11      LEU  80  -3.193 -10.074   3.291
  635   HD12  LEU  80          HD12      LEU  80  -4.898 -10.318   2.834
  636   HD13  LEU  80          HD13      LEU  80  -4.389  -8.783   3.543
  637   HD21  LEU  80          HD23      LEU  80  -4.880 -12.398   4.198
  638   HD22  LEU  80          HD21      LEU  80  -3.233 -12.138   4.829
  639   HD23  LEU  80          HD22      LEU  80  -4.609 -12.328   5.934
  640    H    GLU  81           H        GLU  81  -1.465 -10.160   7.830
  641    HA   GLU  81           HA       GLU  81  -1.196  -7.536   9.200
  642    HB2  GLU  81           HB2      GLU  81  -0.977  -9.436  10.812
  643    HB3  GLU  81           HB3      GLU  81   0.376 -10.063   9.858
  644    HG2  GLU  81           HG2      GLU  81   1.664  -8.010  10.294
  645    HG3  GLU  81           HG3      GLU  81   0.284  -7.286  11.125
  646    H    GLY  82           H        GLY  82   0.106 -10.004   6.976
  647    HA2  GLY  82           HA2      GLY  82   1.212  -9.656   4.998
  648    HA3  GLY  82           HA3      GLY  82   1.162  -7.904   5.267
  649    H    HIS  83           H        HIS  83   2.645 -10.799   6.830
  650    HA   HIS  83           HA       HIS  83   4.844  -9.424   7.971
  651    HD1  HIS  83           HD1      HIS  83   7.195 -13.250   8.028
  652    HD2  HIS  83           HD2      HIS  83   5.524 -10.138  10.328
  653    HE1  HIS  83           HE1      HIS  83   8.794 -12.848   9.959
  654    HB2  HIS  83           HB2      HIS  83   3.910 -11.813   8.435
  655    HB3  HIS  83           HB3      HIS  83   4.927 -12.331   7.110
  656    H    HIS  84           H        HIS  84   7.091  -9.340   7.356
  657    HA   HIS  84           HA       HIS  84   7.401  -8.464   4.685
  658    HD1  HIS  84           HD1      HIS  84   9.115  -7.797   8.914
  659    HD2  HIS  84           HD2      HIS  84   7.831  -5.865   5.396
  660    HE1  HIS  84           HE1      HIS  84   8.182  -5.544   9.635
  661    HB2  HIS  84           HB2      HIS  84   9.573  -9.141   6.712
  662    HB3  HIS  84           HB3      HIS  84   9.738  -8.090   5.307
  663    H    ARG  85           H        ARG  85   8.063 -11.604   6.141
  664    HA   ARG  85           HA       ARG  85   8.862 -12.823   3.593
  665    HE   ARG  85           HE       ARG  85  13.292 -10.394   3.479
  666    HB2  ARG  85           HB2      ARG  85  10.644 -12.853   6.090
  667    HB3  ARG  85           HB3      ARG  85  10.871 -13.881   4.675
  668    HG2  ARG  85           HG2      ARG  85  11.249 -11.852   3.272
  669    HG3  ARG  85           HG3      ARG  85  11.145 -10.854   4.741
  670    HD2  ARG  85           HD2      ARG  85  13.025 -12.107   5.738
  671    HD3  ARG  85           HD3      ARG  85  13.152 -13.090   4.264
  672   HH11  ARG  85          HH11      ARG  85  15.243 -12.663   5.390
  673   HH12  ARG  85          HH12      ARG  85  16.742 -11.884   5.051
  674   HH21  ARG  85          HH21      ARG  85  15.291  -9.350   3.026
  675   HH22  ARG  85          HH22      ARG  85  16.766  -9.957   3.674
  676    H    PHE  86           H        PHE  86   9.262 -15.331   4.269
  677    HA   PHE  86           HA       PHE  86   7.528 -16.025   6.577
  678    HD1  PHE  86           HD1      PHE  86   9.209 -19.526   6.362
  679    HD2  PHE  86           HD2      PHE  86   5.246 -17.888   6.031
  680    HE1  PHE  86           HE1      PHE  86   8.406 -21.135   8.064
  681    HE2  PHE  86           HE2      PHE  86   4.446 -19.467   7.761
  682    HZ   PHE  86           HZ       PHE  86   6.018 -21.087   8.779
  683    HB2  PHE  86           HB2      PHE  86   7.015 -17.255   4.460
  684    HB3  PHE  86           HB3      PHE  86   8.633 -17.958   4.537
  685    H    SER  87           H        SER  87   8.674 -16.561   8.450
  686    HA   SER  87           HA       SER  87  11.640 -16.917   8.174
  687    HG   SER  87           HG       SER  87  11.173 -13.461   8.893
  688    HB2  SER  87           HB2      SER  87  10.175 -15.162  10.179
  689    HB3  SER  87           HB3      SER  87  11.925 -15.295   9.942
  690    H    ILE  88           H        ILE  88  12.703 -18.208   9.666
  691    HA   ILE  88           HA       ILE  88  11.138 -19.753  11.602
  692    HB   ILE  88           HB       ILE  88  14.157 -19.502  11.250
  693   HG12  ILE  88          HG12      ILE  88  12.310 -21.737  10.258
  694   HG13  ILE  88          HG13      ILE  88  12.925 -20.444   9.236
  695   HG21  ILE  88          HG21      ILE  88  13.536 -20.298  13.497
  696   HG22  ILE  88          HG22      ILE  88  12.432 -21.494  12.798
  697   HG23  ILE  88          HG23      ILE  88  14.195 -21.637  12.576
  698   HD11  ILE  88          HD13      ILE  88  15.238 -21.110   9.679
  699   HD12  ILE  88          HD11      ILE  88  14.640 -22.539  10.572
  700   HD13  ILE  88          HD12      ILE  88  14.272 -22.342   8.848
  701    H    VAL  89           H        VAL  89  10.986 -19.274  13.770
  702    HA   VAL  89           HA       VAL  89  12.283 -16.844  14.871
  703    HB   VAL  89           HB       VAL  89   9.324 -17.604  14.861
  704   HG11  VAL  89          HG11      VAL  89   9.799 -16.808  17.114
  705   HG12  VAL  89          HG12      VAL  89  10.679 -15.396  16.468
  706   HG13  VAL  89          HG13      VAL  89   8.931 -15.561  16.226
  707   HG21  VAL  89          HG23      VAL  89  10.041 -16.353  12.858
  708   HG22  VAL  89          HG21      VAL  89   9.027 -15.339  13.881
  709   HG23  VAL  89          HG22      VAL  89  10.789 -15.110  13.880
  710    H    TYR  90           H        TYR  90  12.412 -16.956  17.230
  711    HA   TYR  90           HA       TYR  90  12.726 -19.771  18.164
  712    HD1  TYR  90           HD1      TYR  90  14.815 -16.976  15.905
  713    HD2  TYR  90           HD2      TYR  90  15.491 -20.949  17.442
  714    HE1  TYR  90           HE1      TYR  90  15.784 -17.645  13.728
  715    HE2  TYR  90           HE2      TYR  90  16.491 -21.623  15.274
  716    HH   TYR  90           HH       TYR  90  17.078 -20.945  13.122
  717    HB2  TYR  90           HB2      TYR  90  14.705 -17.465  18.342
  718    HB3  TYR  90           HB3      TYR  90  14.960 -19.093  18.941
  719    H    SER  91           H        SER  91  10.853 -17.273  18.905
  720    HA   SER  91           HA       SER  91  11.110 -17.525  21.831
  721    HG   SER  91           HG       SER  91  13.018 -14.500  21.284
  722    HB2  SER  91           HB2      SER  91  10.926 -14.858  20.356
  723    HB3  SER  91           HB3      SER  91  10.943 -15.100  22.106
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -6.983 -13.836  -0.571
    2    H2   MET   1           H2       MET   1  -6.541 -12.338  -0.112
    3    H3   MET   1           H3       MET   1  -5.730 -13.097  -1.325
    4    HA   MET   1           HA       MET   1  -4.938 -14.785   0.221
    5    HB2  MET   1           HB2      MET   1  -4.324 -11.890   0.952
    6    HB3  MET   1           HB3      MET   1  -3.527 -13.264   1.721
    7    HG2  MET   1           HG2      MET   1  -2.584 -14.007  -0.380
    8    HG3  MET   1           HG3      MET   1  -3.471 -12.770  -1.267
    9    HE1  MET   1           HE3      MET   1  -0.525 -13.437   1.321
   10    HE2  MET   1           HE1      MET   1   0.082 -11.793   1.591
   11    HE3  MET   1           HE2      MET   1  -1.502 -12.260   2.233
   12    H    LEU   2           H        LEU   2  -4.688 -15.475   2.429
   13    HA   LEU   2           HA       LEU   2  -6.603 -14.430   4.447
   14    HG   LEU   2           HG       LEU   2  -7.781 -16.469   2.245
   15    HB2  LEU   2           HB2      LEU   2  -6.048 -17.359   3.803
   16    HB3  LEU   2           HB3      LEU   2  -6.990 -16.788   5.169
   17   HD11  LEU   2          HD11      LEU   2  -7.807 -18.807   3.034
   18   HD12  LEU   2          HD12      LEU   2  -8.835 -18.341   4.407
   19   HD13  LEU   2          HD13      LEU   2  -9.444 -18.201   2.743
   20   HD21  LEU   2          HD23      LEU   2  -8.760 -14.669   3.589
   21   HD22  LEU   2          HD21      LEU   2 -10.008 -15.841   3.169
   22   HD23  LEU   2          HD22      LEU   2  -9.319 -15.842   4.809
   23    H    GLN   3           H        GLN   3  -5.917 -15.340   6.599
   24    HA   GLN   3           HA       GLN   3  -3.002 -15.882   6.852
   25    HB2  GLN   3           HB2      GLN   3  -3.865 -13.776   8.026
   26    HB3  GLN   3           HB3      GLN   3  -4.949 -14.801   8.945
   27    HG2  GLN   3           HG2      GLN   3  -3.002 -15.998   9.920
   28    HG3  GLN   3           HG3      GLN   3  -1.908 -14.996   8.970
   29   HE21  GLN   3          HE22      GLN   3  -1.586 -12.739   9.595
   30   HE22  GLN   3          HE21      GLN   3  -2.143 -12.142  11.145
   31    H    TYR   4           H        TYR   4  -2.567 -17.866   7.831
   32    HA   TYR   4           HA       TYR   4  -4.763 -19.369   9.172
   33    HD1  TYR   4           HD2      TYR   4  -5.662 -19.363   6.828
   34    HD2  TYR   4           HD1      TYR   4  -3.498 -23.083   7.011
   35    HE1  TYR   4           HE2      TYR   4  -7.274 -20.355   5.277
   36    HE2  TYR   4           HE1      TYR   4  -5.119 -24.096   5.433
   37    HH   TYR   4           HH       TYR   4  -7.919 -22.270   4.118
   38    HB2  TYR   4           HB2      TYR   4  -2.472 -20.449   7.482
   39    HB3  TYR   4           HB3      TYR   4  -3.231 -21.383   8.738
   40    H    ARG   5           H        ARG   5  -4.023 -20.485  11.053
   41    HA   ARG   5           HA       ARG   5  -1.225 -20.081  11.900
   42    HE   ARG   5           HE       ARG   5  -3.214 -17.574  15.584
   43    HB2  ARG   5           HB2      ARG   5  -2.733 -18.542  13.269
   44    HB3  ARG   5           HB3      ARG   5  -3.574 -19.992  13.842
   45    HG2  ARG   5           HG2      ARG   5  -1.284 -20.827  14.689
   46    HG3  ARG   5           HG3      ARG   5  -0.655 -19.216  14.293
   47    HD2  ARG   5           HD2      ARG   5  -2.942 -19.829  16.217
   48    HD3  ARG   5           HD3      ARG   5  -1.284 -19.534  16.700
   49   HH11  ARG   5          HH21      ARG   5  -0.019 -18.082  17.159
   50   HH12  ARG   5          HH22      ARG   5   0.300 -16.390  17.255
   51   HH21  ARG   5          HH11      ARG   5  -2.742 -15.354  15.775
   52   HH22  ARG   5          HH12      ARG   5  -1.278 -14.821  16.502
   53    H    ILE   6           H        ILE   6  -0.400 -22.059  12.730
   54    HA   ILE   6           HA       ILE   6  -2.238 -24.394  12.687
   55    HB   ILE   6           HB       ILE   6   0.462 -24.295  11.306
   56   HG12  ILE   6          HG12      ILE   6  -2.213 -24.455   9.865
   57   HG13  ILE   6          HG13      ILE   6  -1.340 -22.941  10.069
   58   HG21  ILE   6          HG21      ILE   6  -0.072 -26.519  12.135
   59   HG22  ILE   6          HG22      ILE   6  -1.669 -26.462  11.374
   60   HG23  ILE   6          HG23      ILE   6  -0.203 -26.517  10.384
   61   HD11  ILE   6          HD13      ILE   6   0.625 -23.863   8.894
   62   HD12  ILE   6          HD11      ILE   6  -0.319 -25.319   8.504
   63   HD13  ILE   6          HD12      ILE   6  -0.843 -23.731   7.908
   64    H    ILE   7           H        ILE   7  -1.627 -25.958  14.198
   65    HA   ILE   7           HA       ILE   7   0.770 -25.451  15.879
   66    HB   ILE   7           HB       ILE   7  -1.986 -26.253  16.895
   67   HG12  ILE   7          HG12      ILE   7  -2.061 -23.856  16.273
   68   HG13  ILE   7          HG13      ILE   7  -2.246 -24.128  17.988
   69   HG21  ILE   7          HG21      ILE   7  -0.970 -25.890  19.158
   70   HG22  ILE   7          HG22      ILE   7  -0.236 -27.222  18.259
   71   HG23  ILE   7          HG23      ILE   7   0.614 -25.669  18.378
   72   HD11  ILE   7          HD13      ILE   7   0.381 -23.287  16.717
   73   HD12  ILE   7          HD11      ILE   7  -0.810 -22.167  17.394
   74   HD13  ILE   7          HD12      ILE   7   0.002 -23.341  18.450
   75    H    VAL   8           H        VAL   8   1.831 -27.428  16.395
   76    HA   VAL   8           HA       VAL   8   0.628 -29.921  15.270
   77    HB   VAL   8           HB       VAL   8   3.528 -29.253  14.775
   78   HG11  VAL   8          HG11      VAL   8   1.478 -30.896  13.229
   79   HG12  VAL   8          HG12      VAL   8   3.205 -30.753  12.845
   80   HG13  VAL   8          HG13      VAL   8   2.699 -31.535  14.345
   81   HG21  VAL   8          HG23      VAL   8   1.323 -28.368  12.874
   82   HG22  VAL   8          HG21      VAL   8   2.410 -27.284  13.776
   83   HG23  VAL   8          HG22      VAL   8   3.076 -28.356  12.559
   84    H    ASP   9           H        ASP   9   1.327 -31.843  16.312
   85    HA   ASP   9           HA       ASP   9   3.316 -31.628  18.495
   86    HB2  ASP   9           HB2      ASP   9   1.046 -31.264  19.489
   87    HB3  ASP   9           HB3      ASP   9   0.527 -32.785  18.777
   88    H    GLY  10           H        GLY  10   4.090 -33.752  19.150
   89    HA2  GLY  10           HA2      GLY  10   3.889 -36.253  18.537
   90    HA3  GLY  10           HA3      GLY  10   4.180 -35.674  16.889
   91    H    ARG  11           H        ARG  11   6.192 -36.970  16.965
   92    HA   ARG  11           HA       ARG  11   8.428 -35.618  18.380
   93    HE   ARG  11           HE       ARG  11  12.580 -34.985  17.617
   94    HB2  ARG  11           HB2      ARG  11   8.763 -38.016  17.995
   95    HB3  ARG  11           HB3      ARG  11   8.479 -37.805  16.266
   96    HG2  ARG  11           HG2      ARG  11  10.857 -38.009  16.685
   97    HG3  ARG  11           HG3      ARG  11  10.493 -36.411  16.060
   98    HD2  ARG  11           HD2      ARG  11  10.570 -35.544  18.461
   99    HD3  ARG  11           HD3      ARG  11  11.148 -37.135  18.952
  100   HH11  ARG  11          HH21      ARG  11  12.654 -38.469  18.308
  101   HH12  ARG  11          HH22      ARG  11  14.307 -38.670  17.865
  102   HH21  ARG  11          HH11      ARG  11  14.772 -35.286  16.872
  103   HH22  ARG  11          HH12      ARG  11  15.539 -36.811  17.104
  104    H    VAL  12           H        VAL  12   7.924 -33.537  17.699
  105    HA   VAL  12           HA       VAL  12   8.377 -32.941  14.815
  106    HB   VAL  12           HB       VAL  12   6.630 -31.224  14.987
  107   HG11  VAL  12          HG11      VAL  12   5.555 -33.953  15.786
  108   HG12  VAL  12          HG12      VAL  12   4.701 -32.673  14.922
  109   HG13  VAL  12          HG13      VAL  12   6.078 -33.491  14.159
  110   HG21  VAL  12          HG23      VAL  12   5.049 -31.147  16.853
  111   HG22  VAL  12          HG21      VAL  12   5.964 -32.373  17.740
  112   HG23  VAL  12          HG22      VAL  12   6.675 -30.780  17.437
  113    H    GLN  13           H        GLN  13  10.201 -32.939  17.236
  114    HA   GLN  13           HA       GLN  13  11.217 -30.188  16.966
  115    HB2  GLN  13           HB2      GLN  13  11.126 -31.554  19.682
  116    HB3  GLN  13           HB3      GLN  13  11.516 -29.879  19.289
  117    HG2  GLN  13           HG2      GLN  13   9.026 -29.727  18.512
  118    HG3  GLN  13           HG3      GLN  13   8.793 -31.219  19.410
  119   HE21  GLN  13          HE22      GLN  13   8.544 -27.933  19.646
  120   HE22  GLN  13          HE21      GLN  13   8.735 -27.702  21.376
  121    H    GLY  14           H        GLY  14  13.480 -30.152  17.021
  122    HA2  GLY  14           HA2      GLY  14  15.608 -30.972  16.945
  123    HA3  GLY  14           HA3      GLY  14  15.130 -32.338  17.978
  124    H    VAL  15           H        VAL  15  13.767 -31.300  14.825
  125    HA   VAL  15           HA       VAL  15  14.847 -33.741  13.498
  126    HB   VAL  15           HB       VAL  15  12.564 -34.112  12.482
  127   HG11  VAL  15          HG11      VAL  15  12.673 -34.546  15.474
  128   HG12  VAL  15          HG12      VAL  15  11.751 -35.475  14.278
  129   HG13  VAL  15          HG13      VAL  15  13.516 -35.547  14.272
  130   HG21  VAL  15          HG23      VAL  15  11.638 -32.261  14.716
  131   HG22  VAL  15          HG21      VAL  15  11.401 -32.059  12.972
  132   HG23  VAL  15          HG22      VAL  15  10.582 -33.372  13.852
  133    H    GLY  16           H        GLY  16  14.069 -30.360  13.351
  134    HA2  GLY  16           HA2      GLY  16  15.109 -28.993  11.713
  135    HA3  GLY  16           HA3      GLY  16  14.930 -30.275  10.498
  136    H    PHE  17           H        PHE  17  12.353 -29.495  12.898
  137    HA   PHE  17           HA       PHE  17  10.458 -29.561  10.728
  138    HD1  PHE  17           HD2      PHE  17   7.812 -27.662  11.731
  139    HD2  PHE  17           HD1      PHE  17   8.658 -31.771  12.698
  140    HE1  PHE  17           HE2      PHE  17   5.546 -28.312  10.956
  141    HE2  PHE  17           HE1      PHE  17   6.391 -32.418  11.943
  142    HZ   PHE  17           HZ       PHE  17   4.829 -30.697  11.054
  143    HB2  PHE  17           HB2      PHE  17  10.194 -30.109  13.316
  144    HB3  PHE  17           HB3      PHE  17   9.712 -28.426  13.412
  145    H    ARG  18           H        ARG  18  11.834 -26.878  12.715
  146    HA   ARG  18           HA       ARG  18  10.411 -24.758  11.475
  147    HE   ARG  18           HE       ARG  18  12.785 -25.658  15.197
  148    HB2  ARG  18           HB2      ARG  18  13.161 -25.012  12.730
  149    HB3  ARG  18           HB3      ARG  18  12.671 -23.495  11.976
  150    HG2  ARG  18           HG2      ARG  18  10.853 -23.166  13.443
  151    HG3  ARG  18           HG3      ARG  18  10.870 -24.828  14.034
  152    HD2  ARG  18           HD2      ARG  18  13.211 -22.935  14.483
  153    HD3  ARG  18           HD3      ARG  18  11.804 -22.978  15.557
  154   HH11  ARG  18          HH21      ARG  18  13.620 -22.607  16.828
  155   HH12  ARG  18          HH22      ARG  18  14.372 -23.376  18.185
  156   HH21  ARG  18          HH11      ARG  18  13.773 -26.684  16.941
  157   HH22  ARG  18          HH12      ARG  18  14.482 -25.759  18.245
  158    H    TYR  19           H        TYR  19  13.430 -26.372  10.313
  159    HA   TYR  19           HA       TYR  19  13.715 -24.600   8.072
  160    HD1  TYR  19           HD2      TYR  19  16.336 -24.182   7.363
  161    HD2  TYR  19           HD1      TYR  19  15.922 -26.662  10.873
  162    HE1  TYR  19           HE2      TYR  19  18.029 -22.803   8.532
  163    HE2  TYR  19           HE1      TYR  19  17.608 -25.291  12.049
  164    HH   TYR  19           HH       TYR  19  19.059 -23.470  11.915
  165    HB2  TYR  19           HB2      TYR  19  14.875 -27.324   8.770
  166    HB3  TYR  19           HB3      TYR  19  15.250 -26.477   7.288
  167    H    PHE  20           H        PHE  20  12.197 -27.836   8.476
  168    HA   PHE  20           HA       PHE  20  11.470 -28.242   5.782
  169    HD1  PHE  20           HD2      PHE  20  10.360 -30.827   5.105
  170    HD2  PHE  20           HD1      PHE  20   7.821 -29.061   8.114
  171    HE1  PHE  20           HE2      PHE  20   8.362 -31.782   3.987
  172    HE2  PHE  20           HE1      PHE  20   5.827 -29.996   6.973
  173    HZ   PHE  20           HZ       PHE  20   6.094 -31.375   4.923
  174    HB2  PHE  20           HB2      PHE  20  11.249 -30.021   7.377
  175    HB3  PHE  20           HB3      PHE  20  10.192 -29.079   8.410
  176    H    VAL  21           H        VAL  21   9.572 -26.609   8.401
  177    HA   VAL  21           HA       VAL  21   7.446 -25.853   6.678
  178    HB   VAL  21           HB       VAL  21   8.454 -24.692   9.302
  179   HG11  VAL  21          HG11      VAL  21   6.176 -23.724   9.543
  180   HG12  VAL  21          HG12      VAL  21   7.042 -22.990   8.186
  181   HG13  VAL  21          HG13      VAL  21   5.801 -24.232   7.888
  182   HG21  VAL  21          HG23      VAL  21   7.629 -27.070   9.383
  183   HG22  VAL  21          HG21      VAL  21   6.573 -25.972  10.272
  184   HG23  VAL  21          HG22      VAL  21   6.109 -26.549   8.656
  185    H    GLN  22           H        GLN  22  10.569 -24.188   7.403
  186    HA   GLN  22           HA       GLN  22   9.977 -21.746   6.082
  187    HB2  GLN  22           HB2      GLN  22  11.919 -22.156   7.589
  188    HB3  GLN  22           HB3      GLN  22  12.643 -23.175   6.348
  189    HG2  GLN  22           HG2      GLN  22  13.694 -21.060   6.165
  190    HG3  GLN  22           HG3      GLN  22  12.622 -21.228   4.780
  191   HE21  GLN  22          HE22      GLN  22  12.720 -18.867   4.524
  192   HE22  GLN  22          HE21      GLN  22  11.782 -17.837   5.594
  193    H    MET  23           H        MET  23  11.400 -24.838   4.771
  194    HA   MET  23           HA       MET  23  11.574 -23.586   2.146
  195    HB2  MET  23           HB2      MET  23  12.363 -25.670   1.298
  196    HB3  MET  23           HB3      MET  23  13.194 -25.287   2.803
  197    HG2  MET  23           HG2      MET  23  11.844 -26.934   4.004
  198    HG3  MET  23           HG3      MET  23  10.894 -27.266   2.549
  199    HE1  MET  23           HE3      MET  23  12.277 -29.635   4.240
  200    HE2  MET  23           HE1      MET  23  11.247 -29.799   2.796
  201    HE3  MET  23           HE2      MET  23  12.826 -30.614   2.867
  202    H    GLU  24           H        GLU  24   9.115 -25.670   3.740
  203    HA   GLU  24           HA       GLU  24   7.627 -26.102   1.330
  204    HB2  GLU  24           HB2      GLU  24   6.885 -26.180   4.283
  205    HB3  GLU  24           HB3      GLU  24   5.748 -26.561   2.995
  206    HG2  GLU  24           HG2      GLU  24   8.356 -28.057   3.508
  207    HG3  GLU  24           HG3      GLU  24   6.736 -28.589   3.953
  208    H    ALA  25           H        ALA  25   7.650 -23.449   3.732
  209    HA   ALA  25           HA       ALA  25   5.457 -22.006   2.540
  210    HB1  ALA  25           HB3      ALA  25   7.855 -21.060   4.182
  211    HB2  ALA  25           HB1      ALA  25   6.467 -20.062   3.730
  212    HB3  ALA  25           HB2      ALA  25   6.238 -21.458   4.801
  213    H    ASP  26           H        ASP  26   9.025 -22.029   2.028
  214    HA   ASP  26           HA       ASP  26   9.149 -19.835   0.277
  215    HB2  ASP  26           HB2      ASP  26  11.148 -20.860   1.340
  216    HB3  ASP  26           HB3      ASP  26  10.928 -22.300   0.356
  217    H    LYS  27           H        LYS  27   8.805 -23.349  -0.499
  218    HA   LYS  27           HA       LYS  27   8.695 -22.810  -3.310
  219    HB2  LYS  27           HB2      LYS  27   8.259 -25.130  -3.653
  220    HB3  LYS  27           HB3      LYS  27   9.484 -24.915  -2.423
  221    HG2  LYS  27           HG2      LYS  27   8.284 -26.609  -1.495
  222    HG3  LYS  27           HG3      LYS  27   7.505 -25.230  -0.722
  223    HD2  LYS  27           HD2      LYS  27   5.675 -25.343  -2.395
  224    HD3  LYS  27           HD3      LYS  27   6.455 -26.709  -3.188
  225    HE2  LYS  27           HE2      LYS  27   5.480 -26.657  -0.292
  226    HE3  LYS  27           HE3      LYS  27   4.554 -27.310  -1.646
  227    HZ1  LYS  27           HZ3      LYS  27   5.768 -29.000  -0.383
  228    HZ2  LYS  27           HZ1      LYS  27   6.270 -28.989  -1.963
  229    HZ3  LYS  27           HZ2      LYS  27   7.173 -28.350  -0.718
  230    H    ARG  28           H        ARG  28   6.336 -22.089  -1.013
  231    HA   ARG  28           HA       ARG  28   4.250 -21.879  -3.144
  232    HE   ARG  28           HE       ARG  28   4.382 -23.792  -3.465
  233    HB2  ARG  28           HB2      ARG  28   4.091 -22.016  -0.096
  234    HB3  ARG  28           HB3      ARG  28   2.738 -21.636  -1.132
  235    HG2  ARG  28           HG2      ARG  28   4.186 -24.301  -0.992
  236    HG3  ARG  28           HG3      ARG  28   2.626 -23.905  -0.301
  237    HD2  ARG  28           HD2      ARG  28   2.153 -25.151  -2.239
  238    HD3  ARG  28           HD3      ARG  28   1.745 -23.474  -2.637
  239   HH11  ARG  28          HH21      ARG  28   1.334 -25.392  -4.350
  240   HH12  ARG  28          HH22      ARG  28   1.863 -25.765  -5.948
  241   HH21  ARG  28          HH11      ARG  28   5.070 -24.254  -5.488
  242   HH22  ARG  28          HH12      ARG  28   4.070 -25.097  -6.627
  243    H    LYS  29           H        LYS  29   6.681 -20.101  -1.807
  244    HA   LYS  29           HA       LYS  29   7.003 -18.040  -1.002
  245    HB2  LYS  29           HB2      LYS  29   5.334 -17.355  -3.451
  246    HB3  LYS  29           HB3      LYS  29   6.396 -16.229  -2.606
  247    HG2  LYS  29           HG2      LYS  29   7.328 -18.791  -3.975
  248    HG3  LYS  29           HG3      LYS  29   7.407 -17.175  -4.667
  249    HD2  LYS  29           HD2      LYS  29   8.962 -16.424  -2.941
  250    HD3  LYS  29           HD3      LYS  29   8.841 -17.978  -2.093
  251    HE2  LYS  29           HE2      LYS  29   9.721 -19.149  -4.087
  252    HE3  LYS  29           HE3      LYS  29   9.913 -17.594  -4.913
  253    HZ1  LYS  29           HZ3      LYS  29  11.977 -18.317  -3.902
  254    HZ2  LYS  29           HZ1      LYS  29  11.478 -16.957  -3.153
  255    HZ3  LYS  29           HZ2      LYS  29  11.299 -18.418  -2.416
  256    H    LEU  30           H        LEU  30   5.179 -19.186   0.573
  257    HA   LEU  30           HA       LEU  30   3.035 -17.289   1.236
  258    HG   LEU  30           HG       LEU  30   2.875 -20.340   0.918
  259    HB2  LEU  30           HB2      LEU  30   4.389 -19.566   2.753
  260    HB3  LEU  30           HB3      LEU  30   3.077 -18.599   3.402
  261   HD11  LEU  30          HD11      LEU  30   3.134 -21.688   2.945
  262   HD12  LEU  30          HD12      LEU  30   1.822 -20.799   3.735
  263   HD13  LEU  30          HD13      LEU  30   1.484 -21.813   2.316
  264   HD21  LEU  30          HD23      LEU  30   0.407 -20.004   1.195
  265   HD22  LEU  30          HD21      LEU  30   0.753 -18.774   2.429
  266   HD23  LEU  30          HD22      LEU  30   1.277 -18.537   0.742
  267    H    ALA  31           H        ALA  31   3.179 -16.148   3.375
  268    HA   ALA  31           HA       ALA  31   5.937 -15.431   4.225
  269    HB1  ALA  31           HB3      ALA  31   3.623 -13.476   3.864
  270    HB2  ALA  31           HB1      ALA  31   5.253 -13.108   4.474
  271    HB3  ALA  31           HB2      ALA  31   5.040 -13.594   2.787
  272    H    GLY  32           H        GLY  32   5.934 -14.750   6.592
  273    HA2  GLY  32           HA2      GLY  32   4.059 -14.872   8.513
  274    HA3  GLY  32           HA3      GLY  32   4.013 -16.529   7.917
  275    H    TRP  33           H        TRP  33   4.747 -17.374   9.930
  276    HA   TRP  33           HA       TRP  33   7.601 -17.377  10.112
  277    HD1  TRP  33           HD1      TRP  33   5.485 -18.427  13.556
  278    HE1  TRP  33           HE1      TRP  33   3.723 -17.483  15.114
  279    HE3  TRP  33           HE3      TRP  33   6.022 -13.448  12.451
  280    HZ2  TRP  33           HZ2      TRP  33   2.737 -14.878  15.909
  281    HZ3  TRP  33           HZ3      TRP  33   4.682 -11.758  13.666
  282    HH2  TRP  33           HH2      TRP  33   3.039 -12.457  15.398
  283    HB2  TRP  33           HB2      TRP  33   7.796 -16.842  12.473
  284    HB3  TRP  33           HB3      TRP  33   7.158 -15.485  11.581
  285    H    VAL  34           H        VAL  34   8.424 -19.011  11.655
  286    HA   VAL  34           HA       VAL  34   6.417 -20.912  12.697
  287    HB   VAL  34           HB       VAL  34   7.126 -21.926  10.636
  288   HG11  VAL  34          HG11      VAL  34   9.411 -22.572  10.095
  289   HG12  VAL  34          HG12      VAL  34   9.325 -20.818  10.266
  290   HG13  VAL  34          HG13      VAL  34  10.022 -21.799  11.568
  291   HG21  VAL  34          HG23      VAL  34   8.547 -23.349  12.924
  292   HG22  VAL  34          HG21      VAL  34   6.801 -23.357  12.662
  293   HG23  VAL  34          HG22      VAL  34   7.877 -24.078  11.460
  294    H    LYS  35           H        LYS  35   6.958 -21.703  14.713
  295    HA   LYS  35           HA       LYS  35   9.676 -21.283  15.745
  296    HB2  LYS  35           HB2      LYS  35   8.907 -20.341  17.845
  297    HB3  LYS  35           HB3      LYS  35   8.431 -19.291  16.518
  298    HG2  LYS  35           HG2      LYS  35   6.118 -20.181  16.614
  299    HG3  LYS  35           HG3      LYS  35   6.586 -21.262  17.941
  300    HD2  LYS  35           HD2      LYS  35   7.166 -19.318  19.350
  301    HD3  LYS  35           HD3      LYS  35   6.718 -18.215  18.024
  302    HE2  LYS  35           HE2      LYS  35   4.411 -19.122  18.042
  303    HE3  LYS  35           HE3      LYS  35   4.844 -20.243  19.333
  304    HZ1  LYS  35           HZ3      LYS  35   4.825 -17.289  19.576
  305    HZ2  LYS  35           HZ1      LYS  35   3.721 -18.321  20.197
  306    HZ3  LYS  35           HZ2      LYS  35   5.248 -18.324  20.772
  307    H    ASN  36           H        ASN  36  10.001 -22.684  17.714
  308    HA   ASN  36           HA       ASN  36   8.142 -25.000  17.687
  309    HB2  ASN  36           HB2      ASN  36  10.408 -25.241  16.337
  310    HB3  ASN  36           HB3      ASN  36  11.090 -25.540  17.942
  311   HD21  ASN  36          HD22      ASN  36  11.035 -27.561  15.850
  312   HD22  ASN  36          HD21      ASN  36   9.796 -28.737  16.261
  313    H    ARG  37           H        ARG  37   7.287 -25.135  19.636
  314    HA   ARG  37           HA       ARG  37   8.162 -23.095  21.491
  315    HE   ARG  37           HE       ARG  37   3.547 -24.570  22.136
  316    HB2  ARG  37           HB2      ARG  37   5.825 -25.067  21.560
  317    HB3  ARG  37           HB3      ARG  37   5.998 -23.655  22.603
  318    HG2  ARG  37           HG2      ARG  37   5.597 -22.129  20.871
  319    HG3  ARG  37           HG3      ARG  37   5.960 -23.291  19.591
  320    HD2  ARG  37           HD2      ARG  37   3.561 -22.654  19.841
  321    HD3  ARG  37           HD3      ARG  37   3.926 -24.366  19.717
  322   HH11  ARG  37          HH21      ARG  37   2.056 -21.661  20.572
  323   HH12  ARG  37          HH22      ARG  37   0.711 -21.708  21.643
  324   HH21  ARG  37          HH11      ARG  37   1.715 -24.633  23.382
  325   HH22  ARG  37          HH12      ARG  37   0.523 -23.371  23.298
  326    H    ASP  38           H        ASP  38   8.838 -23.367  23.655
  327    HA   ASP  38           HA       ASP  38  10.060 -25.800  24.532
  328    HB2  ASP  38           HB2      ASP  38  10.658 -23.609  25.447
  329    HB3  ASP  38           HB3      ASP  38   9.024 -23.396  26.084
  330    H    ASP  39           H        ASP  39   6.780 -24.607  24.666
  331    HA   ASP  39           HA       ASP  39   5.540 -26.354  26.494
  332    HB2  ASP  39           HB2      ASP  39   4.455 -24.392  25.621
  333    HB3  ASP  39           HB3      ASP  39   4.650 -24.947  23.962
  334    H    GLY  40           H        GLY  40   7.008 -27.139  23.432
  335    HA2  GLY  40           HA2      GLY  40   7.517 -29.378  22.984
  336    HA3  GLY  40           HA3      GLY  40   6.006 -29.919  23.708
  337    H    ARG  41           H        ARG  41   5.335 -27.272  21.706
  338    HA   ARG  41           HA       ARG  41   4.395 -29.078  19.517
  339    HE   ARG  41           HE       ARG  41  -0.560 -29.450  21.673
  340    HB2  ARG  41           HB2      ARG  41   3.146 -26.565  20.730
  341    HB3  ARG  41           HB3      ARG  41   2.522 -27.415  19.315
  342    HG2  ARG  41           HG2      ARG  41   2.164 -29.449  20.661
  343    HG3  ARG  41           HG3      ARG  41   2.805 -28.625  22.102
  344    HD2  ARG  41           HD2      ARG  41   0.969 -26.978  22.003
  345    HD3  ARG  41           HD3      ARG  41   0.371 -27.716  20.518
  346   HH11  ARG  41          HH21      ARG  41   1.426 -27.546  23.971
  347   HH12  ARG  41          HH22      ARG  41   0.836 -28.395  25.350
  348   HH21  ARG  41          HH11      ARG  41  -1.332 -30.538  23.534
  349   HH22  ARG  41          HH12      ARG  41  -0.766 -30.110  25.102
  350    H    VAL  42           H        VAL  42   4.322 -28.110  17.389
  351    HA   VAL  42           HA       VAL  42   6.217 -25.834  17.008
  352    HB   VAL  42           HB       VAL  42   4.639 -27.204  14.802
  353   HG11  VAL  42          HG11      VAL  42   5.847 -25.110  14.246
  354   HG12  VAL  42          HG12      VAL  42   7.367 -25.842  14.802
  355   HG13  VAL  42          HG13      VAL  42   6.513 -26.495  13.387
  356   HG21  VAL  42          HG23      VAL  42   7.308 -28.197  15.865
  357   HG22  VAL  42          HG21      VAL  42   5.763 -29.074  15.874
  358   HG23  VAL  42          HG22      VAL  42   6.546 -28.710  14.348
  359    H    GLU  43           H        GLU  43   5.400 -23.859  16.170
  360    HA   GLU  43           HA       GLU  43   2.491 -23.670  15.724
  361    HB2  GLU  43           HB2      GLU  43   2.631 -22.831  17.901
  362    HB3  GLU  43           HB3      GLU  43   4.118 -21.914  17.581
  363    HG2  GLU  43           HG2      GLU  43   2.937 -20.301  16.247
  364    HG3  GLU  43           HG3      GLU  43   1.477 -21.291  16.210
  365    H    ILE  44           H        ILE  44   1.998 -22.410  14.023
  366    HA   ILE  44           HA       ILE  44   4.174 -21.128  12.478
  367    HB   ILE  44           HB       ILE  44   2.021 -22.852  11.235
  368   HG12  ILE  44          HG12      ILE  44   4.754 -23.938  12.016
  369   HG13  ILE  44          HG13      ILE  44   3.211 -24.427  12.716
  370   HG21  ILE  44          HG21      ILE  44   3.194 -21.259   9.790
  371   HG22  ILE  44          HG22      ILE  44   4.754 -21.962  10.265
  372   HG23  ILE  44          HG23      ILE  44   3.584 -22.903   9.321
  373   HD11  ILE  44          HD13      ILE  44   4.134 -24.969   9.882
  374   HD12  ILE  44          HD11      ILE  44   3.835 -26.118  11.188
  375   HD13  ILE  44          HD12      ILE  44   2.477 -25.234  10.457
  376    H    LEU  45           H        LEU  45   3.376 -19.360  11.274
  377    HA   LEU  45           HA       LEU  45   0.466 -18.829  11.228
  378    HG   LEU  45           HG       LEU  45  -0.460 -16.603  11.851
  379    HB2  LEU  45           HB2      LEU  45   1.527 -17.534  13.102
  380    HB3  LEU  45           HB3      LEU  45   2.592 -16.750  11.938
  381   HD11  LEU  45          HD11      LEU  45   1.519 -14.598  13.010
  382   HD12  LEU  45          HD12      LEU  45  -0.244 -14.394  12.899
  383   HD13  LEU  45          HD13      LEU  45   0.434 -15.643  13.952
  384   HD21  LEU  45          HD23      LEU  45   0.108 -14.421  10.560
  385   HD22  LEU  45          HD21      LEU  45   1.743 -15.074  10.385
  386   HD23  LEU  45          HD22      LEU  45   0.340 -15.921   9.689
  387    H    ALA  46           H        ALA  46  -0.050 -18.343   9.073
  388    HA   ALA  46           HA       ALA  46   2.163 -17.681   7.214
  389    HB1  ALA  46           HB3      ALA  46   0.244 -20.029   6.870
  390    HB2  ALA  46           HB1      ALA  46   1.435 -19.463   5.678
  391    HB3  ALA  46           HB2      ALA  46   1.983 -20.145   7.222
  392    H    GLU  47           H        GLU  47   1.439 -16.665   5.311
  393    HA   GLU  47           HA       GLU  47  -1.415 -15.888   5.150
  394    HB2  GLU  47           HB2      GLU  47   1.048 -14.079   5.133
  395    HB3  GLU  47           HB3      GLU  47  -0.567 -13.565   4.604
  396    HG2  GLU  47           HG2      GLU  47  -1.501 -14.087   6.807
  397    HG3  GLU  47           HG3      GLU  47   0.080 -14.630   7.387
  398    H    GLY  48           H        GLY  48  -2.175 -15.873   3.058
  399    HA2  GLY  48           HA2      GLY  48  -0.739 -15.564   0.655
  400    HA3  GLY  48           HA3      GLY  48  -0.551 -17.251   1.129
  401    HA   PRO  49           HA       PRO  49  -4.648 -16.949  -1.038
  402    HB2  PRO  49           HB2      PRO  49  -4.163 -18.637  -3.135
  403    HB3  PRO  49           HB3      PRO  49  -3.762 -16.894  -3.173
  404    HG2  PRO  49           HG2      PRO  49  -1.925 -19.218  -2.601
  405    HG3  PRO  49           HG3      PRO  49  -1.625 -17.806  -3.654
  406    HD2  PRO  49           HD2      PRO  49  -0.702 -17.979  -1.061
  407    HD3  PRO  49           HD3      PRO  49  -1.140 -16.422  -1.827
  408    H    GLU  50           H        GLU  50  -6.234 -18.583  -0.940
  409    HA   GLU  50           HA       GLU  50  -5.985 -20.265   1.265
  410    HB2  GLU  50           HB2      GLU  50  -8.061 -19.225   0.318
  411    HB3  GLU  50           HB3      GLU  50  -8.018 -20.403  -0.998
  412    HG2  GLU  50           HG2      GLU  50  -8.189 -22.232   0.730
  413    HG3  GLU  50           HG3      GLU  50  -8.341 -21.000   1.977
  414    H    ASN  51           H        ASN  51  -5.598 -21.128  -2.211
  415    HA   ASN  51           HA       ASN  51  -5.624 -23.971  -1.714
  416    HB2  ASN  51           HB2      ASN  51  -6.059 -23.061  -3.959
  417    HB3  ASN  51           HB3      ASN  51  -4.429 -22.379  -4.028
  418   HD21  ASN  51          HD22      ASN  51  -2.874 -23.687  -5.027
  419   HD22  ASN  51          HD21      ASN  51  -3.012 -25.413  -5.204
  420    H    ALA  52           H        ALA  52  -3.031 -21.544  -1.804
  421    HA   ALA  52           HA       ALA  52  -0.861 -23.460  -1.607
  422    HB1  ALA  52           HB3      ALA  52   0.491 -21.485  -0.979
  423    HB2  ALA  52           HB1      ALA  52  -0.463 -21.174  -2.441
  424    HB3  ALA  52           HB2      ALA  52  -0.971 -20.498  -0.870
  425    H    LEU  53           H        LEU  53  -2.747 -21.481   0.741
  426    HA   LEU  53           HA       LEU  53  -1.327 -22.333   3.053
  427    HG   LEU  53           HG       LEU  53  -2.183 -19.670   2.244
  428    HB2  LEU  53           HB2      LEU  53  -4.151 -21.288   2.618
  429    HB3  LEU  53           HB3      LEU  53  -3.479 -21.599   4.208
  430   HD11  LEU  53          HD11      LEU  53  -4.427 -18.880   2.811
  431   HD12  LEU  53          HD12      LEU  53  -4.097 -19.105   4.545
  432   HD13  LEU  53          HD13      LEU  53  -3.207 -17.888   3.613
  433   HD21  LEU  53          HD23      LEU  53  -1.812 -20.078   5.243
  434   HD22  LEU  53          HD21      LEU  53  -0.633 -20.490   3.980
  435   HD23  LEU  53          HD22      LEU  53  -1.056 -18.802   4.269
  436    H    GLN  54           H        GLN  54  -4.255 -23.740   1.448
  437    HA   GLN  54           HA       GLN  54  -4.620 -25.864   3.313
  438    HB2  GLN  54           HB2      GLN  54  -5.243 -25.482   0.366
  439    HB3  GLN  54           HB3      GLN  54  -5.583 -27.007   1.165
  440    HG2  GLN  54           HG2      GLN  54  -7.065 -25.956   2.775
  441    HG3  GLN  54           HG3      GLN  54  -6.657 -24.348   2.168
  442   HE21  GLN  54          HE22      GLN  54  -7.143 -23.893  -0.125
  443   HE22  GLN  54          HE21      GLN  54  -8.550 -24.637  -0.881
  444    H    SER  55           H        SER  55  -2.629 -25.727   0.285
  445    HA   SER  55           HA       SER  55  -1.710 -28.410   0.450
  446    HG   SER  55           HG       SER  55  -2.294 -26.100  -1.645
  447    HB2  SER  55           HB2      SER  55  -0.262 -25.989  -0.722
  448    HB3  SER  55           HB3      SER  55   0.015 -27.691  -1.126
  449    H    PHE  56           H        PHE  56  -0.421 -25.393   1.861
  450    HA   PHE  56           HA       PHE  56   1.942 -26.459   2.992
  451    HD1  PHE  56           HD2      PHE  56   3.875 -24.683   3.501
  452    HD2  PHE  56           HD1      PHE  56   0.535 -23.392   5.914
  453    HE1  PHE  56           HE2      PHE  56   5.438 -23.717   5.172
  454    HE2  PHE  56           HE1      PHE  56   2.100 -22.413   7.554
  455    HZ   PHE  56           HZ       PHE  56   4.552 -22.507   7.148
  456    HB2  PHE  56           HB2      PHE  56   1.484 -24.111   2.575
  457    HB3  PHE  56           HB3      PHE  56   0.162 -24.109   3.722
  458    H    VAL  57           H        VAL  57  -1.423 -26.142   4.372
  459    HA   VAL  57           HA       VAL  57  -0.802 -27.324   6.879
  460    HB   VAL  57           HB       VAL  57  -3.354 -27.143   5.246
  461   HG11  VAL  57          HG11      VAL  57  -3.077 -28.368   8.023
  462   HG12  VAL  57          HG12      VAL  57  -4.608 -27.916   7.234
  463   HG13  VAL  57          HG13      VAL  57  -3.620 -29.198   6.546
  464   HG21  VAL  57          HG23      VAL  57  -4.022 -25.571   6.970
  465   HG22  VAL  57          HG21      VAL  57  -2.566 -25.916   7.916
  466   HG23  VAL  57          HG22      VAL  57  -2.433 -25.085   6.351
  467    H    GLU  58           H        GLU  58  -1.889 -28.852   3.781
  468    HA   GLU  58           HA       GLU  58  -1.994 -31.504   4.685
  469    HB2  GLU  58           HB2      GLU  58  -1.265 -30.366   1.963
  470    HB3  GLU  58           HB3      GLU  58  -1.494 -32.080   2.244
  471    HG2  GLU  58           HG2      GLU  58  -3.688 -30.104   2.956
  472    HG3  GLU  58           HG3      GLU  58  -3.445 -30.635   1.298
  473    H    ALA  59           H        ALA  59   0.793 -29.647   3.542
  474    HA   ALA  59           HA       ALA  59   2.685 -31.801   3.611
  475    HB1  ALA  59           HB3      ALA  59   3.087 -29.742   2.323
  476    HB2  ALA  59           HB1      ALA  59   3.149 -28.793   3.826
  477    HB3  ALA  59           HB2      ALA  59   4.382 -30.022   3.504
  478    H    VAL  60           H        VAL  60   1.822 -29.229   5.984
  479    HA   VAL  60           HA       VAL  60   3.691 -30.047   7.979
  480    HB   VAL  60           HB       VAL  60   1.134 -28.403   8.076
  481   HG11  VAL  60          HG11      VAL  60   3.223 -28.782  10.262
  482   HG12  VAL  60          HG12      VAL  60   1.925 -27.567  10.274
  483   HG13  VAL  60          HG13      VAL  60   1.528 -29.281  10.353
  484   HG21  VAL  60          HG23      VAL  60   2.664 -26.506   8.187
  485   HG22  VAL  60          HG21      VAL  60   4.072 -27.585   8.298
  486   HG23  VAL  60          HG22      VAL  60   3.150 -27.480   6.801
  487    H    LYS  61           H        LYS  61   0.440 -31.344   7.157
  488    HA   LYS  61           HA       LYS  61   0.098 -32.864   9.525
  489    HB2  LYS  61           HB2      LYS  61  -0.591 -33.873   6.736
  490    HB3  LYS  61           HB3      LYS  61  -1.240 -34.415   8.284
  491    HG2  LYS  61           HG2      LYS  61  -2.246 -32.146   8.608
  492    HG3  LYS  61           HG3      LYS  61  -1.728 -31.743   6.954
  493    HD2  LYS  61           HD2      LYS  61  -3.092 -33.496   6.018
  494    HD3  LYS  61           HD3      LYS  61  -3.541 -34.089   7.633
  495    HE2  LYS  61           HE2      LYS  61  -4.757 -32.073   8.147
  496    HE3  LYS  61           HE3      LYS  61  -4.118 -31.248   6.717
  497    HZ1  LYS  61           HZ3      LYS  61  -5.339 -32.692   5.313
  498    HZ2  LYS  61           HZ1      LYS  61  -5.917 -33.589   6.577
  499    HZ3  LYS  61           HZ2      LYS  61  -6.389 -32.035   6.387
  500    H    ASN  62           H        ASN  62   2.169 -33.506   6.671
  501    HA   ASN  62           HA       ASN  62   2.981 -36.110   7.661
  502    HB2  ASN  62           HB2      ASN  62   3.000 -35.503   5.220
  503    HB3  ASN  62           HB3      ASN  62   4.327 -34.382   5.540
  504   HD21  ASN  62          HD22      ASN  62   6.468 -35.287   6.098
  505   HD22  ASN  62          HD21      ASN  62   6.790 -36.982   5.812
  506    H    GLY  63           H        GLY  63   4.310 -32.821   7.544
  507    HA2  GLY  63           HA2      GLY  63   5.935 -31.780   8.856
  508    HA3  GLY  63           HA3      GLY  63   6.117 -33.259   9.814
  509    H    SER  64           H        SER  64   8.469 -32.443   9.425
  510    HA   SER  64           HA       SER  64   9.789 -32.928   6.969
  511    HG   SER  64           HG       SER  64  10.083 -32.513  10.556
  512    HB2  SER  64           HB2      SER  64  11.464 -33.583   9.242
  513    HB3  SER  64           HB3      SER  64  11.543 -32.195   8.157
  514    HA   PRO  65           HA       PRO  65   9.777 -37.279   6.601
  515    HB2  PRO  65           HB2      PRO  65  12.339 -38.016   5.854
  516    HB3  PRO  65           HB3      PRO  65  11.159 -37.199   4.785
  517    HG2  PRO  65           HG2      PRO  65  13.392 -35.947   6.403
  518    HG3  PRO  65           HG3      PRO  65  12.961 -35.648   4.688
  519    HD2  PRO  65           HD2      PRO  65  12.151 -33.976   6.661
  520    HD3  PRO  65           HD3      PRO  65  11.061 -34.368   5.298
  521    H    PHE  66           H        PHE  66  12.220 -35.978   8.790
  522    HA   PHE  66           HA       PHE  66  12.621 -38.493  10.220
  523    HD1  PHE  66           HD2      PHE  66  15.175 -38.827   9.923
  524    HD2  PHE  66           HD1      PHE  66  14.622 -34.597   9.252
  525    HE1  PHE  66           HE2      PHE  66  16.949 -38.865   8.187
  526    HE2  PHE  66           HE1      PHE  66  16.393 -34.645   7.517
  527    HZ   PHE  66           HZ       PHE  66  17.560 -36.776   6.979
  528    HB2  PHE  66           HB2      PHE  66  13.414 -35.659  10.983
  529    HB3  PHE  66           HB3      PHE  66  14.047 -37.147  11.668
  530    H    SER  67           H        SER  67  10.138 -36.061  10.277
  531    HA   SER  67           HA       SER  67   9.674 -36.080  13.146
  532    HG   SER  67           HG       SER  67  10.251 -34.041  12.010
  533    HB2  SER  67           HB2      SER  67   7.867 -35.060  10.918
  534    HB3  SER  67           HB3      SER  67   7.905 -34.556  12.616
  535    H    LYS  68           H        LYS  68   7.631 -36.707  14.021
  536    HA   LYS  68           HA       LYS  68   5.924 -38.605  12.525
  537    HB2  LYS  68           HB2      LYS  68   7.032 -39.181  15.311
  538    HB3  LYS  68           HB3      LYS  68   5.709 -40.045  14.568
  539    HG2  LYS  68           HG2      LYS  68   8.568 -39.959  13.506
  540    HG3  LYS  68           HG3      LYS  68   7.890 -41.247  14.486
  541    HD2  LYS  68           HD2      LYS  68   6.911 -40.494  11.696
  542    HD3  LYS  68           HD3      LYS  68   7.992 -41.829  12.095
  543    HE2  LYS  68           HE2      LYS  68   6.219 -42.828  13.540
  544    HE3  LYS  68           HE3      LYS  68   5.121 -41.520  13.084
  545    HZ1  LYS  68           HZ3      LYS  68   5.279 -42.282  10.782
  546    HZ2  LYS  68           HZ1      LYS  68   6.292 -43.494  11.209
  547    HZ3  LYS  68           HZ2      LYS  68   4.754 -43.487  11.744
  548    H    VAL  69           H        VAL  69   4.669 -36.690  12.328
  549    HA   VAL  69           HA       VAL  69   3.667 -35.166  14.555
  550    HB   VAL  69           HB       VAL  69   2.528 -35.751  11.784
  551   HG11  VAL  69          HG11      VAL  69   1.231 -33.623  12.106
  552   HG12  VAL  69          HG12      VAL  69   0.716 -34.923  13.180
  553   HG13  VAL  69          HG13      VAL  69   1.737 -33.615  13.809
  554   HG21  VAL  69          HG23      VAL  69   4.740 -34.594  11.691
  555   HG22  VAL  69          HG21      VAL  69   3.422 -33.576  11.119
  556   HG23  VAL  69          HG22      VAL  69   4.086 -33.311  12.735
  557    H    THR  70           H        THR  70   1.940 -35.651  15.930
  558    HA   THR  70           HA       THR  70   0.360 -38.122  15.394
  559    HB   THR  70           HB       THR  70   0.224 -38.360  17.851
  560    HG1  THR  70           HG1      THR  70   1.367 -37.055  19.162
  561   HG21  THR  70          HG23      THR  70   2.491 -39.181  18.232
  562   HG22  THR  70          HG21      THR  70   2.019 -39.549  16.564
  563   HG23  THR  70          HG22      THR  70   3.118 -38.193  16.897
  564    H    ASP  71           H        ASP  71   0.277 -34.660  16.029
  565    HA   ASP  71           HA       ASP  71  -2.613 -34.696  15.588
  566    HB2  ASP  71           HB2      ASP  71  -2.466 -34.910  18.059
  567    HB3  ASP  71           HB3      ASP  71  -1.410 -33.497  18.119
  568    H    ILE  72           H        ILE  72  -3.392 -32.585  14.994
  569    HA   ILE  72           HA       ILE  72  -1.538 -30.394  14.651
  570    HB   ILE  72           HB       ILE  72  -0.982 -31.755  12.698
  571   HG12  ILE  72          HG12      ILE  72  -2.582 -29.270  11.963
  572   HG13  ILE  72          HG13      ILE  72  -0.898 -29.337  12.489
  573   HG21  ILE  72          HG21      ILE  72  -2.532 -32.398  10.965
  574   HG22  ILE  72          HG22      ILE  72  -3.140 -33.023  12.487
  575   HG23  ILE  72          HG23      ILE  72  -3.877 -31.571  11.777
  576   HD11  ILE  72          HD13      ILE  72  -2.075 -30.355   9.884
  577   HD12  ILE  72          HD11      ILE  72  -0.889 -29.074  10.115
  578   HD13  ILE  72          HD12      ILE  72  -0.430 -30.766  10.420
  579    H    SER  73           H        SER  73  -2.709 -28.443  14.414
  580    HA   SER  73           HA       SER  73  -5.666 -28.541  14.196
  581    HG   SER  73           HG       SER  73  -5.261 -28.447  17.779
  582    HB2  SER  73           HB2      SER  73  -4.133 -27.031  16.360
  583    HB3  SER  73           HB3      SER  73  -5.884 -27.015  16.104
  584    H    VAL  74           H        VAL  74  -6.526 -26.495  13.439
  585    HA   VAL  74           HA       VAL  74  -4.557 -24.565  12.365
  586    HB   VAL  74           HB       VAL  74  -6.791 -25.843  10.729
  587   HG11  VAL  74          HG11      VAL  74  -5.650 -24.728   8.802
  588   HG12  VAL  74          HG12      VAL  74  -6.288 -23.572   9.962
  589   HG13  VAL  74          HG13      VAL  74  -4.549 -23.925   9.943
  590   HG21  VAL  74          HG23      VAL  74  -3.797 -26.366  10.561
  591   HG22  VAL  74          HG21      VAL  74  -5.051 -27.538  11.033
  592   HG23  VAL  74          HG22      VAL  74  -5.008 -26.920   9.387
  593    H    THR  75           H        THR  75  -5.377 -22.498  12.169
  594    HA   THR  75           HA       THR  75  -8.220 -21.918  12.693
  595    HB   THR  75           HB       THR  75  -5.987 -20.280  13.953
  596    HG1  THR  75           HG1      THR  75  -5.919 -22.336  14.884
  597   HG21  THR  75          HG23      THR  75  -8.977 -20.480  14.535
  598   HG22  THR  75          HG21      THR  75  -7.813 -19.531  15.488
  599   HG23  THR  75          HG22      THR  75  -8.120 -19.101  13.806
  600    H    GLU  76           H        GLU  76  -8.659 -19.620  11.752
  601    HA   GLU  76           HA       GLU  76  -6.677 -18.728   9.795
  602    HB2  GLU  76           HB2      GLU  76  -8.150 -18.997   7.881
  603    HB3  GLU  76           HB3      GLU  76  -7.841 -20.562   8.628
  604    HG2  GLU  76           HG2      GLU  76 -10.067 -20.420   9.786
  605    HG3  GLU  76           HG3      GLU  76 -10.366 -18.883   8.973
  606    H    SER  77           H        SER  77  -7.446 -16.758   8.625
  607    HA   SER  77           HA       SER  77  -9.729 -15.273   9.679
  608    HG   SER  77           HG       SER  77  -8.396 -15.711  11.624
  609    HB2  SER  77           HB2      SER  77  -6.837 -14.335  10.074
  610    HB3  SER  77           HB3      SER  77  -8.268 -13.312  10.294
  611    H    ARG  78           H        ARG  78 -10.343 -13.648   8.165
  612    HA   ARG  78           HA       ARG  78  -8.976 -13.603   5.565
  613    HE   ARG  78           HE       ARG  78 -12.765 -10.531   5.134
  614    HB2  ARG  78           HB2      ARG  78 -11.408 -13.359   5.755
  615    HB3  ARG  78           HB3      ARG  78 -11.200 -11.815   6.605
  616    HG2  ARG  78           HG2      ARG  78 -10.323 -10.736   4.671
  617    HG3  ARG  78           HG3      ARG  78  -9.836 -12.266   3.927
  618    HD2  ARG  78           HD2      ARG  78 -11.724 -11.432   2.723
  619    HD3  ARG  78           HD3      ARG  78 -12.160 -12.909   3.607
  620   HH11  ARG  78          HH21      ARG  78 -13.998 -12.454   2.418
  621   HH12  ARG  78          HH22      ARG  78 -15.639 -11.973   2.633
  622   HH21  ARG  78          HH11      ARG  78 -14.956  -9.894   5.433
  623   HH22  ARG  78          HH12      ARG  78 -16.190 -10.479   4.385
  624    H    SER  79           H        SER  79  -9.275 -11.472   8.453
  625    HA   SER  79           HA       SER  79  -7.559  -9.405   7.690
  626    HG   SER  79           HG       SER  79  -9.608  -9.213  10.669
  627    HB2  SER  79           HB2      SER  79  -7.825 -10.661  10.453
  628    HB3  SER  79           HB3      SER  79  -7.408  -8.982  10.063
  629    H    LEU  80           H        LEU  80  -5.364  -9.190   7.724
  630    HA   LEU  80           HA       LEU  80  -3.583 -11.290   8.672
  631    HG   LEU  80           HG       LEU  80  -4.568  -9.799   5.336
  632    HB2  LEU  80           HB2      LEU  80  -2.547 -11.731   6.528
  633    HB3  LEU  80           HB3      LEU  80  -4.240 -12.142   6.501
  634   HD11  LEU  80          HD11      LEU  80  -2.285  -8.903   5.535
  635   HD12  LEU  80          HD12      LEU  80  -1.616 -10.362   4.767
  636   HD13  LEU  80          HD13      LEU  80  -2.634  -9.236   3.848
  637   HD21  LEU  80          HD23      LEU  80  -3.274 -12.199   3.974
  638   HD22  LEU  80          HD21      LEU  80  -5.006 -11.970   4.304
  639   HD23  LEU  80          HD22      LEU  80  -4.189 -10.903   3.156
  640    H    GLU  81           H        GLU  81  -1.307 -10.556   8.570
  641    HA   GLU  81           HA       GLU  81  -1.257  -7.676   9.231
  642    HB2  GLU  81           HB2      GLU  81   0.396 -10.107   9.911
  643    HB3  GLU  81           HB3      GLU  81   1.163  -8.527   9.972
  644    HG2  GLU  81           HG2      GLU  81   0.341  -9.109  12.165
  645    HG3  GLU  81           HG3      GLU  81  -0.481  -7.686  11.547
  646    H    GLY  82           H        GLY  82  -0.032  -9.866   6.736
  647    HA2  GLY  82           HA2      GLY  82   0.645  -9.186   4.615
  648    HA3  GLY  82           HA3      GLY  82   0.825  -7.511   5.167
  649    H    HIS  83           H        HIS  83   2.149 -10.653   6.334
  650    HA   HIS  83           HA       HIS  83   4.697  -9.685   7.094
  651    HD1  HIS  83           HD1      HIS  83   1.678 -11.756   8.142
  652    HD2  HIS  83           HD2      HIS  83   5.657 -12.284   9.434
  653    HE1  HIS  83           HE1      HIS  83   1.573 -12.153  10.656
  654    HB2  HIS  83           HB2      HIS  83   3.707 -12.439   6.254
  655    HB3  HIS  83           HB3      HIS  83   5.332 -12.134   6.859
  656    H    HIS  84           H        HIS  84   6.616  -9.409   5.999
  657    HA   HIS  84           HA       HIS  84   6.417  -9.214   3.071
  658    HD1  HIS  84           HD1      HIS  84   5.135  -7.374   4.717
  659    HD2  HIS  84           HD2      HIS  84   8.830  -5.439   4.065
  660    HE1  HIS  84           HE1      HIS  84   4.673  -4.893   4.842
  661    HB2  HIS  84           HB2      HIS  84   8.553  -8.356   5.064
  662    HB3  HIS  84           HB3      HIS  84   8.625  -8.073   3.332
  663    H    ARG  85           H        ARG  85   7.517 -11.611   5.261
  664    HA   ARG  85           HA       ARG  85   8.885 -13.147   3.201
  665    HE   ARG  85           HE       ARG  85  12.661  -9.860   6.864
  666    HB2  ARG  85           HB2      ARG  85  10.899 -13.497   4.728
  667    HB3  ARG  85           HB3      ARG  85  10.827 -11.947   3.902
  668    HG2  ARG  85           HG2      ARG  85  10.172 -10.780   5.886
  669    HG3  ARG  85           HG3      ARG  85   9.883 -12.279   6.784
  670    HD2  ARG  85           HD2      ARG  85  12.181 -12.748   7.012
  671    HD3  ARG  85           HD3      ARG  85  12.617 -11.756   5.620
  672   HH11  ARG  85          HH21      ARG  85  11.311 -12.433   8.946
  673   HH12  ARG  85          HH22      ARG  85  11.503 -11.512  10.394
  674   HH21  ARG  85          HH11      ARG  85  12.875  -8.665   8.790
  675   HH22  ARG  85          HH12      ARG  85  12.395  -9.333  10.302
  676    H    PHE  86           H        PHE  86   9.494 -15.360   4.237
  677    HA   PHE  86           HA       PHE  86   7.681 -15.990   6.502
  678    HD1  PHE  86           HD1      PHE  86   8.957 -19.240   7.209
  679    HD2  PHE  86           HD2      PHE  86   5.452 -17.877   5.108
  680    HE1  PHE  86           HE1      PHE  86   7.521 -20.519   8.762
  681    HE2  PHE  86           HE2      PHE  86   4.022 -19.105   6.708
  682    HZ   PHE  86           HZ       PHE  86   5.048 -20.421   8.536
  683    HB2  PHE  86           HB2      PHE  86   7.607 -17.356   4.256
  684    HB3  PHE  86           HB3      PHE  86   9.077 -18.097   4.874
  685    H    SER  87           H        SER  87   8.715 -16.534   8.452
  686    HA   SER  87           HA       SER  87  11.719 -16.546   8.382
  687    HG   SER  87           HG       SER  87   9.511 -14.127   8.579
  688    HB2  SER  87           HB2      SER  87   9.999 -15.165  10.457
  689    HB3  SER  87           HB3      SER  87  11.729 -14.962  10.143
  690    H    ILE  88           H        ILE  88  12.783 -17.986   9.691
  691    HA   ILE  88           HA       ILE  88  11.292 -19.692  11.556
  692    HB   ILE  88           HB       ILE  88  14.276 -19.331  11.028
  693   HG12  ILE  88          HG12      ILE  88  12.443 -21.674  10.296
  694   HG13  ILE  88          HG13      ILE  88  12.850 -20.376   9.182
  695   HG21  ILE  88          HG21      ILE  88  13.965 -20.091  13.333
  696   HG22  ILE  88          HG22      ILE  88  12.804 -21.322  12.811
  697   HG23  ILE  88          HG23      ILE  88  14.528 -21.449  12.379
  698   HD11  ILE  88          HD13      ILE  88  14.277 -22.209   8.687
  699   HD12  ILE  88          HD11      ILE  88  15.251 -20.902   9.386
  700   HD13  ILE  88          HD12      ILE  88  14.832 -22.337  10.363
  701    H    VAL  89           H        VAL  89  11.213 -19.384  13.742
  702    HA   VAL  89           HA       VAL  89  12.550 -17.072  15.017
  703    HB   VAL  89           HB       VAL  89   9.617 -17.914  15.209
  704   HG11  VAL  89          HG11      VAL  89  10.334 -17.223  17.444
  705   HG12  VAL  89          HG12      VAL  89  11.080 -15.747  16.777
  706   HG13  VAL  89          HG13      VAL  89   9.320 -15.976  16.734
  707   HG21  VAL  89          HG23      VAL  89  10.042 -16.543  13.217
  708   HG22  VAL  89          HG21      VAL  89   9.132 -15.620  14.409
  709   HG23  VAL  89          HG22      VAL  89  10.873 -15.326  14.208
  710    H    TYR  90           H        TYR  90  12.814 -17.499  17.358
  711    HA   TYR  90           HA       TYR  90  13.454 -20.381  17.708
  712    HD1  TYR  90           HD1      TYR  90  16.027 -21.102  16.678
  713    HD2  TYR  90           HD2      TYR  90  15.262 -16.878  16.213
  714    HE1  TYR  90           HE1      TYR  90  16.916 -21.197  14.368
  715    HE2  TYR  90           HE2      TYR  90  16.139 -16.965  13.905
  716    HH   TYR  90           HH       TYR  90  17.077 -18.302  12.239
  717    HB2  TYR  90           HB2      TYR  90  15.097 -17.931  18.414
  718    HB3  TYR  90           HB3      TYR  90  15.578 -19.606  18.646
  719    H    SER  91           H        SER  91  11.103 -19.029  18.754
  720    HA   SER  91           HA       SER  91   9.871 -18.742  20.639
  721    HG   SER  91           HG       SER  91  10.149 -22.320  20.166
  722    HB2  SER  91           HB2      SER  91  11.472 -21.179  21.474
  723    HB3  SER  91           HB3      SER  91   9.838 -20.743  22.004
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -6.104 -13.322  -1.448
    2    H2   MET   1           H2       MET   1  -7.035 -14.423  -0.670
    3    H3   MET   1           H3       MET   1  -7.176 -12.842  -0.301
    4    HA   MET   1           HA       MET   1  -4.806 -14.518   0.210
    5    HB2  MET   1           HB2      MET   1  -5.305 -11.552   0.644
    6    HB3  MET   1           HB3      MET   1  -4.184 -12.447   1.665
    7    HG2  MET   1           HG2      MET   1  -3.982 -12.271  -1.359
    8    HG3  MET   1           HG3      MET   1  -3.075 -11.289  -0.221
    9    HE1  MET   1           HE3      MET   1  -1.123 -12.031   1.234
   10    HE2  MET   1           HE1      MET   1  -2.064 -13.277   2.090
   11    HE3  MET   1           HE2      MET   1  -0.498 -13.686   1.362
   12    H    LEU   2           H        LEU   2  -4.744 -15.547   2.121
   13    HA   LEU   2           HA       LEU   2  -6.764 -14.985   4.235
   14    HG   LEU   2           HG       LEU   2  -8.194 -18.376   3.516
   15    HB2  LEU   2           HB2      LEU   2  -6.069 -17.538   2.783
   16    HB3  LEU   2           HB3      LEU   2  -6.153 -17.660   4.517
   17   HD11  LEU   2          HD11      LEU   2  -9.785 -17.161   4.866
   18   HD12  LEU   2          HD12      LEU   2  -8.264 -17.303   5.761
   19   HD13  LEU   2          HD13      LEU   2  -8.704 -15.764   4.991
   20   HD21  LEU   2          HD23      LEU   2  -8.677 -15.554   2.501
   21   HD22  LEU   2          HD21      LEU   2  -8.139 -16.918   1.490
   22   HD23  LEU   2          HD22      LEU   2  -9.715 -16.976   2.297
   23    H    GLN   3           H        GLN   3  -5.988 -15.750   6.323
   24    HA   GLN   3           HA       GLN   3  -3.054 -16.103   6.616
   25    HB2  GLN   3           HB2      GLN   3  -3.783 -13.844   7.417
   26    HB3  GLN   3           HB3      GLN   3  -5.012 -14.600   8.398
   27    HG2  GLN   3           HG2      GLN   3  -3.264 -15.718   9.761
   28    HG3  GLN   3           HG3      GLN   3  -2.013 -14.975   8.768
   29   HE21  GLN   3          HE22      GLN   3  -2.048 -12.433   8.700
   30   HE22  GLN   3          HE21      GLN   3  -2.455 -11.684  10.232
   31    H    TYR   4           H        TYR   4  -2.580 -17.900   7.917
   32    HA   TYR   4           HA       TYR   4  -4.804 -19.357   9.286
   33    HD1  TYR   4           HD2      TYR   4  -5.591 -19.462   6.854
   34    HD2  TYR   4           HD1      TYR   4  -3.406 -23.148   7.319
   35    HE1  TYR   4           HE2      TYR   4  -7.094 -20.536   5.242
   36    HE2  TYR   4           HE1      TYR   4  -4.913 -24.238   5.683
   37    HH   TYR   4           HH       TYR   4  -7.625 -22.507   4.102
   38    HB2  TYR   4           HB2      TYR   4  -2.445 -20.453   7.706
   39    HB3  TYR   4           HB3      TYR   4  -3.227 -21.366   8.967
   40    H    ARG   5           H        ARG   5  -4.137 -20.318  11.266
   41    HA   ARG   5           HA       ARG   5  -1.330 -19.942  12.136
   42    HE   ARG   5           HE       ARG   5  -3.374 -17.463  15.830
   43    HB2  ARG   5           HB2      ARG   5  -2.830 -18.415  13.492
   44    HB3  ARG   5           HB3      ARG   5  -3.743 -19.845  14.001
   45    HG2  ARG   5           HG2      ARG   5  -1.530 -20.774  14.936
   46    HG3  ARG   5           HG3      ARG   5  -0.815 -19.192  14.592
   47    HD2  ARG   5           HD2      ARG   5  -3.208 -19.732  16.408
   48    HD3  ARG   5           HD3      ARG   5  -1.560 -19.512  16.964
   49   HH11  ARG   5          HH21      ARG   5  -0.211 -18.127  17.420
   50   HH12  ARG   5          HH22      ARG   5   0.120 -16.450  17.647
   51   HH21  ARG   5          HH11      ARG   5  -2.887 -15.271  16.203
   52   HH22  ARG   5          HH12      ARG   5  -1.424 -14.812  16.981
   53    H    ILE   6           H        ILE   6  -0.506 -21.909  12.940
   54    HA   ILE   6           HA       ILE   6  -2.320 -24.264  12.881
   55    HB   ILE   6           HB       ILE   6   0.410 -24.118  11.573
   56   HG12  ILE   6          HG12      ILE   6  -2.225 -24.368  10.071
   57   HG13  ILE   6          HG13      ILE   6  -1.373 -22.840  10.256
   58   HG21  ILE   6          HG21      ILE   6  -0.095 -26.337  12.441
   59   HG22  ILE   6          HG22      ILE   6  -1.653 -26.348  11.601
   60   HG23  ILE   6          HG23      ILE   6  -0.129 -26.369  10.691
   61   HD11  ILE   6          HD13      ILE   6   0.620 -23.765   9.134
   62   HD12  ILE   6          HD11      ILE   6  -0.279 -25.259   8.794
   63   HD13  ILE   6          HD12      ILE   6  -0.829 -23.721   8.113
   64    H    ILE   7           H        ILE   7  -1.731 -25.807  14.415
   65    HA   ILE   7           HA       ILE   7   0.665 -25.319  16.112
   66    HB   ILE   7           HB       ILE   7  -2.096 -26.147  17.105
   67   HG12  ILE   7          HG12      ILE   7  -2.185 -23.748  16.518
   68   HG13  ILE   7          HG13      ILE   7  -2.366 -24.041  18.231
   69   HG21  ILE   7          HG21      ILE   7  -1.081 -25.805  19.373
   70   HG22  ILE   7          HG22      ILE   7  -0.346 -27.124  18.457
   71   HG23  ILE   7          HG23      ILE   7   0.502 -25.571  18.594
   72   HD11  ILE   7          HD13      ILE   7  -0.136 -23.237  18.710
   73   HD12  ILE   7          HD11      ILE   7   0.269 -23.185  16.983
   74   HD13  ILE   7          HD12      ILE   7  -0.934 -22.064  17.641
   75    H    VAL   8           H        VAL   8   1.765 -27.269  16.481
   76    HA   VAL   8           HA       VAL   8   0.594 -29.760  15.333
   77    HB   VAL   8           HB       VAL   8   3.452 -28.873  14.845
   78   HG11  VAL   8          HG11      VAL   8   3.307 -30.426  12.937
   79   HG12  VAL   8          HG12      VAL   8   2.904 -31.245  14.447
   80   HG13  VAL   8          HG13      VAL   8   1.608 -30.764  13.331
   81   HG21  VAL   8          HG23      VAL   8   2.153 -27.067  13.801
   82   HG22  VAL   8          HG21      VAL   8   2.877 -28.107  12.586
   83   HG23  VAL   8          HG22      VAL   8   1.147 -28.274  12.956
   84    H    ASP   9           H        ASP   9   1.358 -31.680  16.331
   85    HA   ASP   9           HA       ASP   9   3.460 -31.495  18.390
   86    HB2  ASP   9           HB2      ASP   9   1.245 -31.178  19.553
   87    HB3  ASP   9           HB3      ASP   9   0.717 -32.709  18.870
   88    H    GLY  10           H        GLY  10   4.291 -33.638  18.931
   89    HA2  GLY  10           HA2      GLY  10   3.934 -36.118  18.309
   90    HA3  GLY  10           HA3      GLY  10   4.131 -35.537  16.648
   91    H    ARG  11           H        ARG  11   6.006 -36.851  16.467
   92    HA   ARG  11           HA       ARG  11   8.480 -36.049  17.877
   93    HE   ARG  11           HE       ARG  11  12.630 -38.807  17.281
   94    HB2  ARG  11           HB2      ARG  11   8.085 -38.433  17.089
   95    HB3  ARG  11           HB3      ARG  11   8.022 -37.837  15.439
   96    HG2  ARG  11           HG2      ARG  11  10.201 -38.630  15.615
   97    HG3  ARG  11           HG3      ARG  11  10.409 -36.900  15.864
   98    HD2  ARG  11           HD2      ARG  11  10.270 -37.452  18.417
   99    HD3  ARG  11           HD3      ARG  11  10.421 -39.137  17.933
  100   HH11  ARG  11          HH21      ARG  11  11.221 -35.769  18.406
  101   HH12  ARG  11          HH22      ARG  11  12.611 -34.801  18.072
  102   HH21  ARG  11          HH11      ARG  11  14.602 -37.593  17.088
  103   HH22  ARG  11          HH12      ARG  11  14.635 -35.917  17.487
  104    H    VAL  12           H        VAL  12   8.024 -33.737  17.375
  105    HA   VAL  12           HA       VAL  12   8.594 -32.989  14.543
  106    HB   VAL  12           HB       VAL  12   6.848 -31.292  14.679
  107   HG11  VAL  12          HG11      VAL  12   4.887 -32.705  14.565
  108   HG12  VAL  12          HG12      VAL  12   6.261 -33.494  13.768
  109   HG13  VAL  12          HG13      VAL  12   5.724 -34.031  15.374
  110   HG21  VAL  12          HG23      VAL  12   6.814 -30.877  17.131
  111   HG22  VAL  12          HG21      VAL  12   5.204 -31.197  16.477
  112   HG23  VAL  12          HG22      VAL  12   6.064 -32.455  17.386
  113    H    GLN  13           H        GLN  13  10.343 -32.985  17.075
  114    HA   GLN  13           HA       GLN  13  11.377 -30.260  16.628
  115    HB2  GLN  13           HB2      GLN  13  10.887 -31.443  19.402
  116    HB3  GLN  13           HB3      GLN  13  11.878 -30.030  19.039
  117    HG2  GLN  13           HG2      GLN  13   9.772 -28.989  18.003
  118    HG3  GLN  13           HG3      GLN  13   8.864 -30.285  18.791
  119   HE21  GLN  13          HE22      GLN  13   8.292 -27.638  19.525
  120   HE22  GLN  13          HE21      GLN  13   9.056 -27.209  21.030
  121    H    GLY  14           H        GLY  14  13.610 -30.175  16.803
  122    HA2  GLY  14           HA2      GLY  14  15.778 -30.891  17.076
  123    HA3  GLY  14           HA3      GLY  14  15.228 -32.292  18.019
  124    H    VAL  15           H        VAL  15  14.039 -31.362  14.794
  125    HA   VAL  15           HA       VAL  15  15.372 -33.716  13.536
  126    HB   VAL  15           HB       VAL  15  13.184 -34.361  12.516
  127   HG11  VAL  15          HG11      VAL  15  14.128 -35.594  14.438
  128   HG12  VAL  15          HG12      VAL  15  13.209 -34.553  15.547
  129   HG13  VAL  15          HG13      VAL  15  12.359 -35.618  14.419
  130   HG21  VAL  15          HG23      VAL  15  11.837 -32.365  12.802
  131   HG22  VAL  15          HG21      VAL  15  11.082 -33.699  13.697
  132   HG23  VAL  15          HG22      VAL  15  11.978 -32.456  14.568
  133    H    GLY  16           H        GLY  16  14.346 -30.421  13.315
  134    HA2  GLY  16           HA2      GLY  16  15.414 -29.032  11.686
  135    HA3  GLY  16           HA3      GLY  16  15.225 -30.303  10.462
  136    H    PHE  17           H        PHE  17  12.645 -29.612  12.846
  137    HA   PHE  17           HA       PHE  17  10.764 -29.617  10.667
  138    HD1  PHE  17           HD1      PHE  17   7.953 -27.828  12.376
  139    HD2  PHE  17           HD2      PHE  17   9.125 -31.944  11.908
  140    HE1  PHE  17           HE1      PHE  17   5.647 -28.402  11.638
  141    HE2  PHE  17           HE2      PHE  17   6.831 -32.515  11.157
  142    HZ   PHE  17           HZ       PHE  17   5.086 -30.749  11.020
  143    HB2  PHE  17           HB2      PHE  17  10.509 -30.397  13.159
  144    HB3  PHE  17           HB3      PHE  17  10.044 -28.730  13.452
  145    H    ARG  18           H        ARG  18  12.199 -26.987  12.719
  146    HA   ARG  18           HA       ARG  18  10.575 -24.854  11.735
  147    HE   ARG  18           HE       ARG  18  13.441 -25.893  15.102
  148    HB2  ARG  18           HB2      ARG  18  13.479 -25.023  12.636
  149    HB3  ARG  18           HB3      ARG  18  12.779 -23.505  12.100
  150    HG2  ARG  18           HG2      ARG  18  11.217 -23.405  13.860
  151    HG3  ARG  18           HG3      ARG  18  11.428 -25.096  14.308
  152    HD2  ARG  18           HD2      ARG  18  13.758 -23.145  14.484
  153    HD3  ARG  18           HD3      ARG  18  12.553 -23.258  15.774
  154   HH11  ARG  18          HH21      ARG  18  15.033 -22.988  16.461
  155   HH12  ARG  18          HH22      ARG  18  15.864 -23.880  17.685
  156   HH21  ARG  18          HH11      ARG  18  14.441 -27.003  16.728
  157   HH22  ARG  18          HH12      ARG  18  15.589 -26.233  17.819
  158    H    TYR  19           H        TYR  19  13.633 -26.173  10.351
  159    HA   TYR  19           HA       TYR  19  13.614 -24.330   8.151
  160    HD1  TYR  19           HD1      TYR  19  15.072 -23.710   6.612
  161    HD2  TYR  19           HD2      TYR  19  16.663 -27.712   6.981
  162    HE1  TYR  19           HE1      TYR  19  16.264 -23.430   4.474
  163    HE2  TYR  19           HE2      TYR  19  17.879 -27.427   4.851
  164    HH   TYR  19           HH       TYR  19  18.343 -26.005   3.060
  165    HB2  TYR  19           HB2      TYR  19  15.650 -25.420   9.039
  166    HB3  TYR  19           HB3      TYR  19  15.044 -26.990   8.528
  167    H    PHE  20           H        PHE  20  12.399 -27.691   8.554
  168    HA   PHE  20           HA       PHE  20  11.622 -28.146   5.883
  169    HD1  PHE  20           HD1      PHE  20  10.760 -30.589   5.094
  170    HD2  PHE  20           HD2      PHE  20   8.154 -29.469   8.352
  171    HE1  PHE  20           HE1      PHE  20   8.849 -31.688   3.953
  172    HE2  PHE  20           HE2      PHE  20   6.248 -30.554   7.192
  173    HZ   PHE  20           HZ       PHE  20   6.594 -31.668   4.998
  174    HB2  PHE  20           HB2      PHE  20  11.614 -29.934   7.495
  175    HB3  PHE  20           HB3      PHE  20  10.475 -29.083   8.529
  176    H    VAL  21           H        VAL  21   9.680 -26.664   8.585
  177    HA   VAL  21           HA       VAL  21   7.440 -26.090   6.931
  178    HB   VAL  21           HB       VAL  21   8.452 -24.809   9.499
  179   HG11  VAL  21          HG11      VAL  21   5.732 -24.516   8.159
  180   HG12  VAL  21          HG12      VAL  21   6.145 -23.943   9.787
  181   HG13  VAL  21          HG13      VAL  21   6.925 -23.215   8.381
  182   HG21  VAL  21          HG23      VAL  21   6.671 -26.171  10.553
  183   HG22  VAL  21          HG21      VAL  21   6.213 -26.825   8.966
  184   HG23  VAL  21          HG22      VAL  21   7.774 -27.227   9.667
  185    H    GLN  22           H        GLN  22  10.459 -24.186   7.562
  186    HA   GLN  22           HA       GLN  22   9.563 -21.852   6.239
  187    HB2  GLN  22           HB2      GLN  22  11.600 -22.068   7.718
  188    HB3  GLN  22           HB3      GLN  22  12.430 -22.880   6.379
  189    HG2  GLN  22           HG2      GLN  22  12.031 -20.827   4.967
  190    HG3  GLN  22           HG3      GLN  22  11.268 -20.070   6.369
  191   HE21  GLN  22          HE22      GLN  22  12.721 -18.342   6.587
  192   HE22  GLN  22          HE21      GLN  22  14.402 -18.583   7.029
  193    H    MET  23           H        MET  23  11.269 -24.765   4.909
  194    HA   MET  23           HA       MET  23  11.310 -23.559   2.260
  195    HB2  MET  23           HB2      MET  23  12.203 -25.635   1.447
  196    HB3  MET  23           HB3      MET  23  13.026 -25.164   2.935
  197    HG2  MET  23           HG2      MET  23  11.658 -26.798   4.191
  198    HG3  MET  23           HG3      MET  23  10.828 -27.263   2.705
  199    HE1  MET  23           HE3      MET  23  14.670 -26.643   3.662
  200    HE2  MET  23           HE1      MET  23  13.923 -27.582   4.972
  201    HE3  MET  23           HE2      MET  23  15.151 -28.331   3.930
  202    H    GLU  24           H        GLU  24   9.010 -25.755   3.943
  203    HA   GLU  24           HA       GLU  24   7.505 -26.280   1.539
  204    HB2  GLU  24           HB2      GLU  24   6.915 -26.581   4.511
  205    HB3  GLU  24           HB3      GLU  24   5.754 -27.007   3.264
  206    HG2  GLU  24           HG2      GLU  24   8.522 -28.231   3.605
  207    HG3  GLU  24           HG3      GLU  24   6.978 -28.977   4.001
  208    H    ALA  25           H        ALA  25   7.542 -23.586   3.822
  209    HA   ALA  25           HA       ALA  25   5.134 -22.366   2.725
  210    HB1  ALA  25           HB3      ALA  25   5.972 -21.609   4.886
  211    HB2  ALA  25           HB1      ALA  25   7.562 -21.236   4.198
  212    HB3  ALA  25           HB2      ALA  25   6.158 -20.287   3.716
  213    H    ASP  26           H        ASP  26   8.679 -22.076   2.172
  214    HA   ASP  26           HA       ASP  26   8.584 -20.018   0.296
  215    HB2  ASP  26           HB2      ASP  26  10.631 -20.887   1.489
  216    HB3  ASP  26           HB3      ASP  26  10.631 -22.267   0.396
  217    H    LYS  27           H        LYS  27   8.411 -23.543  -0.252
  218    HA   LYS  27           HA       LYS  27   8.734 -23.493  -3.022
  219    HB2  LYS  27           HB2      LYS  27   7.967 -25.745  -3.092
  220    HB3  LYS  27           HB3      LYS  27   8.849 -25.505  -1.597
  221    HG2  LYS  27           HG2      LYS  27   7.103 -26.681  -0.756
  222    HG3  LYS  27           HG3      LYS  27   6.413 -25.066  -0.607
  223    HD2  LYS  27           HD2      LYS  27   5.207 -25.450  -2.802
  224    HD3  LYS  27           HD3      LYS  27   5.849 -27.083  -2.836
  225    HE2  LYS  27           HE2      LYS  27   4.202 -25.987  -0.508
  226    HE3  LYS  27           HE3      LYS  27   3.458 -26.709  -1.940
  227    HZ1  LYS  27           HZ3      LYS  27   3.695 -28.349  -0.230
  228    HZ2  LYS  27           HZ1      LYS  27   4.685 -28.759  -1.457
  229    HZ3  LYS  27           HZ2      LYS  27   5.301 -28.114  -0.077
  230    H    ARG  28           H        ARG  28   5.843 -22.455  -1.304
  231    HA   ARG  28           HA       ARG  28   4.667 -21.969  -3.992
  232    HE   ARG  28           HE       ARG  28   0.297 -22.999  -5.311
  233    HB2  ARG  28           HB2      ARG  28   3.602 -23.916  -2.643
  234    HB3  ARG  28           HB3      ARG  28   2.890 -22.665  -1.635
  235    HG2  ARG  28           HG2      ARG  28   1.698 -21.743  -3.554
  236    HG3  ARG  28           HG3      ARG  28   2.620 -22.767  -4.672
  237    HD2  ARG  28           HD2      ARG  28   1.609 -24.790  -3.703
  238    HD3  ARG  28           HD3      ARG  28   0.711 -23.802  -2.542
  239   HH11  ARG  28          HH21      ARG  28  -0.940 -25.290  -2.839
  240   HH12  ARG  28          HH22      ARG  28  -2.483 -25.415  -3.624
  241   HH21  ARG  28          HH11      ARG  28  -1.791 -23.258  -6.277
  242   HH22  ARG  28          HH12      ARG  28  -2.951 -24.307  -5.514
  243    H    LYS  29           H        LYS  29   6.382 -20.402  -2.172
  244    HA   LYS  29           HA       LYS  29   6.607 -18.349  -1.310
  245    HB2  LYS  29           HB2      LYS  29   4.689 -17.686  -3.574
  246    HB3  LYS  29           HB3      LYS  29   5.748 -16.539  -2.744
  247    HG2  LYS  29           HG2      LYS  29   7.746 -17.806  -3.500
  248    HG3  LYS  29           HG3      LYS  29   6.703 -18.963  -4.332
  249    HD2  LYS  29           HD2      LYS  29   7.572 -17.435  -5.956
  250    HD3  LYS  29           HD3      LYS  29   5.833 -17.150  -5.788
  251    HE2  LYS  29           HE2      LYS  29   6.298 -15.186  -4.332
  252    HE3  LYS  29           HE3      LYS  29   8.034 -15.500  -4.452
  253    HZ1  LYS  29           HZ3      LYS  29   7.332 -13.786  -5.995
  254    HZ2  LYS  29           HZ1      LYS  29   7.877 -15.069  -6.835
  255    HZ3  LYS  29           HZ2      LYS  29   6.271 -14.782  -6.724
  256    H    LEU  30           H        LEU  30   4.803 -19.788   0.261
  257    HA   LEU  30           HA       LEU  30   2.723 -17.971   1.236
  258    HG   LEU  30           HG       LEU  30   2.177 -21.397   2.806
  259    HB2  LEU  30           HB2      LEU  30   4.300 -20.249   2.503
  260    HB3  LEU  30           HB3      LEU  30   3.117 -19.306   3.363
  261   HD11  LEU  30          HD11      LEU  30   0.138 -20.745   1.682
  262   HD12  LEU  30          HD12      LEU  30   0.700 -19.361   2.637
  263   HD13  LEU  30          HD13      LEU  30   0.943 -19.384   0.878
  264   HD21  LEU  30          HD23      LEU  30   3.555 -22.011   0.862
  265   HD22  LEU  30          HD21      LEU  30   1.830 -22.301   0.630
  266   HD23  LEU  30          HD22      LEU  30   2.588 -20.896  -0.140
  267    H    ALA  31           H        ALA  31   3.050 -16.681   3.190
  268    HA   ALA  31           HA       ALA  31   5.879 -16.027   3.875
  269    HB1  ALA  31           HB3      ALA  31   4.907 -14.220   2.412
  270    HB2  ALA  31           HB1      ALA  31   3.605 -14.009   3.616
  271    HB3  ALA  31           HB2      ALA  31   5.294 -13.684   4.055
  272    H    GLY  32           H        GLY  32   6.075 -15.377   6.188
  273    HA2  GLY  32           HA2      GLY  32   4.226 -15.105   8.161
  274    HA3  GLY  32           HA3      GLY  32   4.082 -16.822   7.761
  275    H    TRP  33           H        TRP  33   4.802 -17.403   9.871
  276    HA   TRP  33           HA       TRP  33   7.643 -17.710   9.881
  277    HD1  TRP  33           HD1      TRP  33   6.009 -17.464  14.019
  278    HE1  TRP  33           HE1      TRP  33   4.064 -16.104  14.952
  279    HE3  TRP  33           HE3      TRP  33   5.729 -13.869  10.376
  280    HZ2  TRP  33           HZ2      TRP  33   2.606 -13.694  14.252
  281    HZ3  TRP  33           HZ3      TRP  33   4.009 -12.090  10.511
  282    HH2  TRP  33           HH2      TRP  33   2.453 -11.985  12.446
  283    HB2  TRP  33           HB2      TRP  33   7.947 -16.866  12.220
  284    HB3  TRP  33           HB3      TRP  33   7.582 -15.612  11.059
  285    H    VAL  34           H        VAL  34   8.397 -19.159  11.640
  286    HA   VAL  34           HA       VAL  34   6.305 -20.918  12.812
  287    HB   VAL  34           HB       VAL  34   7.120 -22.015  10.803
  288   HG11  VAL  34          HG11      VAL  34   9.450 -22.699  10.473
  289   HG12  VAL  34          HG12      VAL  34   9.358 -20.941  10.558
  290   HG13  VAL  34          HG13      VAL  34   9.937 -21.854  11.958
  291   HG21  VAL  34          HG23      VAL  34   6.674 -23.407  12.841
  292   HG22  VAL  34          HG21      VAL  34   7.801 -24.143  11.694
  293   HG23  VAL  34          HG22      VAL  34   8.415 -23.408  13.178
  294    H    LYS  35           H        LYS  35   6.915 -21.865  14.838
  295    HA   LYS  35           HA       LYS  35   9.614 -21.281  15.830
  296    HB2  LYS  35           HB2      LYS  35   8.885 -20.321  17.909
  297    HB3  LYS  35           HB3      LYS  35   8.329 -19.365  16.545
  298    HG2  LYS  35           HG2      LYS  35   6.038 -20.423  16.811
  299    HG3  LYS  35           HG3      LYS  35   6.644 -21.201  18.292
  300    HD2  LYS  35           HD2      LYS  35   7.261 -18.922  19.169
  301    HD3  LYS  35           HD3      LYS  35   6.518 -18.206  17.721
  302    HE2  LYS  35           HE2      LYS  35   4.356 -19.381  18.372
  303    HE3  LYS  35           HE3      LYS  35   5.148 -19.878  19.871
  304    HZ1  LYS  35           HZ3      LYS  35   5.541 -17.447  20.281
  305    HZ2  LYS  35           HZ1      LYS  35   4.554 -17.114  19.020
  306    HZ3  LYS  35           HZ2      LYS  35   3.954 -17.906  20.314
  307    H    ASN  36           H        ASN  36  10.419 -22.850  16.973
  308    HA   ASN  36           HA       ASN  36   8.989 -25.307  17.754
  309    HB2  ASN  36           HB2      ASN  36  11.282 -25.526  16.984
  310    HB3  ASN  36           HB3      ASN  36  11.834 -24.228  18.043
  311   HD21  ASN  36          HD22      ASN  36  12.461 -27.408  17.742
  312   HD22  ASN  36          HD21      ASN  36  12.430 -27.820  19.437
  313    H    ARG  37           H        ARG  37   7.715 -25.199  19.620
  314    HA   ARG  37           HA       ARG  37   8.065 -22.880  21.437
  315    HE   ARG  37           HE       ARG  37   3.739 -23.809  22.694
  316    HB2  ARG  37           HB2      ARG  37   5.934 -25.070  21.280
  317    HB3  ARG  37           HB3      ARG  37   5.994 -23.798  22.496
  318    HG2  ARG  37           HG2      ARG  37   5.790 -22.061  20.740
  319    HG3  ARG  37           HG3      ARG  37   5.746 -23.311  19.489
  320    HD2  ARG  37           HD2      ARG  37   3.492 -22.444  20.051
  321    HD3  ARG  37           HD3      ARG  37   3.640 -24.179  20.327
  322   HH11  ARG  37          HH21      ARG  37   2.616 -20.859  20.924
  323   HH12  ARG  37          HH22      ARG  37   2.214 -20.065  22.404
  324   HH21  ARG  37          HH11      ARG  37   3.226 -22.778  24.477
  325   HH22  ARG  37          HH12      ARG  37   2.526 -21.174  24.501
  326    H    ASP  38           H        ASP  38   8.668 -23.122  23.612
  327    HA   ASP  38           HA       ASP  38  10.381 -25.281  24.258
  328    HB2  ASP  38           HB2      ASP  38  10.576 -23.058  25.276
  329    HB3  ASP  38           HB3      ASP  38   9.000 -23.247  26.052
  330    H    ASP  39           H        ASP  39   6.928 -24.873  24.797
  331    HA   ASP  39           HA       ASP  39   6.603 -27.026  26.632
  332    HB2  ASP  39           HB2      ASP  39   4.247 -26.834  26.256
  333    HB3  ASP  39           HB3      ASP  39   4.964 -25.241  26.411
  334    H    GLY  40           H        GLY  40   7.524 -27.193  23.375
  335    HA2  GLY  40           HA2      GLY  40   8.269 -29.288  22.587
  336    HA3  GLY  40           HA3      GLY  40   6.914 -30.104  23.362
  337    H    ARG  41           H        ARG  41   5.222 -27.656  22.115
  338    HA   ARG  41           HA       ARG  41   4.485 -29.107  19.683
  339    HE   ARG  41           HE       ARG  41   2.429 -26.443  22.907
  340    HB2  ARG  41           HB2      ARG  41   3.553 -26.487  20.928
  341    HB3  ARG  41           HB3      ARG  41   2.849 -27.180  19.469
  342    HG2  ARG  41           HG2      ARG  41   2.150 -29.190  20.632
  343    HG3  ARG  41           HG3      ARG  41   2.938 -28.680  22.129
  344    HD2  ARG  41           HD2      ARG  41   0.664 -27.182  20.780
  345    HD3  ARG  41           HD3      ARG  41   0.483 -28.315  22.135
  346   HH11  ARG  41          HH21      ARG  41  -1.065 -26.473  22.184
  347   HH12  ARG  41          HH22      ARG  41  -1.435 -25.141  23.214
  348   HH21  ARG  41          HH11      ARG  41   1.942 -24.681  24.254
  349   HH22  ARG  41          HH12      ARG  41   0.309 -24.108  24.451
  350    H    VAL  42           H        VAL  42   4.149 -27.742  17.683
  351    HA   VAL  42           HA       VAL  42   6.233 -25.634  17.333
  352    HB   VAL  42           HB       VAL  42   5.246 -27.611  15.236
  353   HG11  VAL  42          HG11      VAL  42   7.076 -25.196  14.889
  354   HG12  VAL  42          HG12      VAL  42   6.740 -26.428  13.658
  355   HG13  VAL  42          HG13      VAL  42   5.441 -25.381  14.213
  356   HG21  VAL  42          HG23      VAL  42   7.634 -28.212  15.042
  357   HG22  VAL  42          HG21      VAL  42   8.039 -27.083  16.350
  358   HG23  VAL  42          HG22      VAL  42   7.045 -28.517  16.674
  359    H    GLU  43           H        GLU  43   5.402 -23.747  16.423
  360    HA   GLU  43           HA       GLU  43   2.481 -23.673  15.869
  361    HB2  GLU  43           HB2      GLU  43   2.610 -22.796  18.046
  362    HB3  GLU  43           HB3      GLU  43   4.079 -21.863  17.705
  363    HG2  GLU  43           HG2      GLU  43   2.876 -20.289  16.345
  364    HG3  GLU  43           HG3      GLU  43   1.430 -21.299  16.326
  365    H    ILE  44           H        ILE  44   1.942 -22.297  14.207
  366    HA   ILE  44           HA       ILE  44   4.113 -21.026  12.655
  367    HB   ILE  44           HB       ILE  44   1.940 -22.675  11.372
  368   HG12  ILE  44          HG12      ILE  44   4.587 -23.914  12.217
  369   HG13  ILE  44          HG13      ILE  44   2.994 -24.343  12.843
  370   HG21  ILE  44          HG21      ILE  44   3.505 -22.761   9.493
  371   HG22  ILE  44          HG22      ILE  44   3.284 -21.101  10.016
  372   HG23  ILE  44          HG23      ILE  44   4.757 -21.983  10.482
  373   HD11  ILE  44          HD13      ILE  44   3.630 -26.024  11.295
  374   HD12  ILE  44          HD11      ILE  44   2.314 -25.086  10.553
  375   HD13  ILE  44          HD12      ILE  44   3.990 -24.856  10.024
  376    H    LEU  45           H        LEU  45   3.292 -19.224  11.475
  377    HA   LEU  45           HA       LEU  45   0.379 -18.852  11.332
  378    HG   LEU  45           HG       LEU  45  -0.789 -16.852  11.879
  379    HB2  LEU  45           HB2      LEU  45   1.231 -17.575  13.328
  380    HB3  LEU  45           HB3      LEU  45   2.234 -16.609  12.245
  381   HD11  LEU  45          HD11      LEU  45  -1.071 -14.816  13.206
  382   HD12  LEU  45          HD12      LEU  45  -0.378 -16.119  14.179
  383   HD13  LEU  45          HD13      LEU  45   0.664 -14.808  13.592
  384   HD21  LEU  45          HD23      LEU  45   1.268 -14.760  11.017
  385   HD22  LEU  45          HD21      LEU  45   0.270 -15.782   9.960
  386   HD23  LEU  45          HD22      LEU  45  -0.483 -14.514  10.913
  387    H    ALA  46           H        ALA  46  -0.085 -18.342   9.214
  388    HA   ALA  46           HA       ALA  46   2.141 -17.540   7.431
  389    HB1  ALA  46           HB3      ALA  46   2.149 -20.011   7.522
  390    HB2  ALA  46           HB1      ALA  46   0.428 -20.036   7.074
  391    HB3  ALA  46           HB2      ALA  46   1.640 -19.425   5.927
  392    H    GLU  47           H        GLU  47   1.404 -16.872   5.331
  393    HA   GLU  47           HA       GLU  47  -1.455 -16.159   5.072
  394    HB2  GLU  47           HB2      GLU  47   0.939 -14.278   4.759
  395    HB3  GLU  47           HB3      GLU  47  -0.740 -13.898   4.333
  396    HG2  GLU  47           HG2      GLU  47  -1.386 -14.349   6.711
  397    HG3  GLU  47           HG3      GLU  47   0.329 -14.479   7.130
  398    H    GLY  48           H        GLY  48  -2.152 -16.095   2.931
  399    HA2  GLY  48           HA2      GLY  48  -0.628 -15.963   0.586
  400    HA3  GLY  48           HA3      GLY  48  -0.639 -17.668   1.061
  401    HA   PRO  49           HA       PRO  49  -4.735 -16.947  -1.067
  402    HB2  PRO  49           HB2      PRO  49  -4.374 -18.710  -3.150
  403    HB3  PRO  49           HB3      PRO  49  -4.013 -16.960  -3.247
  404    HG2  PRO  49           HG2      PRO  49  -2.107 -19.240  -2.782
  405    HG3  PRO  49           HG3      PRO  49  -1.886 -17.810  -3.828
  406    HD2  PRO  49           HD2      PRO  49  -0.807 -18.012  -1.296
  407    HD3  PRO  49           HD3      PRO  49  -1.306 -16.450  -2.008
  408    H    GLU  50           H        GLU  50  -6.371 -18.533  -0.810
  409    HA   GLU  50           HA       GLU  50  -6.009 -20.059   1.471
  410    HB2  GLU  50           HB2      GLU  50  -8.161 -19.167   0.602
  411    HB3  GLU  50           HB3      GLU  50  -8.169 -20.417  -0.648
  412    HG2  GLU  50           HG2      GLU  50  -8.229 -22.170   1.123
  413    HG3  GLU  50           HG3      GLU  50  -8.165 -20.917   2.365
  414    H    ASN  51           H        ASN  51  -6.020 -21.253  -1.956
  415    HA   ASN  51           HA       ASN  51  -5.781 -23.979  -1.101
  416    HB2  ASN  51           HB2      ASN  51  -6.688 -23.372  -3.314
  417    HB3  ASN  51           HB3      ASN  51  -5.084 -22.802  -3.814
  418   HD21  ASN  51          HD22      ASN  51  -6.618 -25.761  -2.308
  419   HD22  ASN  51          HD21      ASN  51  -5.673 -26.885  -3.260
  420    H    ALA  52           H        ALA  52  -3.338 -21.479  -1.580
  421    HA   ALA  52           HA       ALA  52  -1.125 -23.378  -1.630
  422    HB1  ALA  52           HB3      ALA  52   0.309 -21.444  -1.203
  423    HB2  ALA  52           HB1      ALA  52  -0.798 -21.115  -2.543
  424    HB3  ALA  52           HB2      ALA  52  -1.111 -20.420  -0.924
  425    H    LEU  53           H        LEU  53  -2.931 -21.502   0.836
  426    HA   LEU  53           HA       LEU  53  -1.324 -22.444   3.024
  427    HG   LEU  53           HG       LEU  53  -2.020 -19.787   2.522
  428    HB2  LEU  53           HB2      LEU  53  -4.119 -21.283   2.824
  429    HB3  LEU  53           HB3      LEU  53  -3.410 -21.777   4.349
  430   HD11  LEU  53          HD11      LEU  53  -3.926 -19.217   4.821
  431   HD12  LEU  53          HD12      LEU  53  -2.928 -18.023   3.976
  432   HD13  LEU  53          HD13      LEU  53  -4.197 -18.877   3.094
  433   HD21  LEU  53          HD23      LEU  53  -0.569 -20.835   4.254
  434   HD22  LEU  53          HD21      LEU  53  -0.861 -19.133   4.614
  435   HD23  LEU  53          HD22      LEU  53  -1.742 -20.389   5.505
  436    H    GLN  54           H        GLN  54  -4.205 -23.855   1.361
  437    HA   GLN  54           HA       GLN  54  -4.517 -26.041   3.147
  438    HB2  GLN  54           HB2      GLN  54  -5.037 -25.800   0.157
  439    HB3  GLN  54           HB3      GLN  54  -5.440 -27.214   1.108
  440    HG2  GLN  54           HG2      GLN  54  -6.948 -25.933   2.526
  441    HG3  GLN  54           HG3      GLN  54  -6.573 -24.449   1.665
  442   HE21  GLN  54          HE22      GLN  54  -9.013 -26.561   1.927
  443   HE22  GLN  54          HE21      GLN  54  -9.612 -26.587   0.288
  444    H    SER  55           H        SER  55  -2.450 -25.817   0.100
  445    HA   SER  55           HA       SER  55  -1.404 -28.439   0.489
  446    HG   SER  55           HG       SER  55   0.154 -25.314  -0.444
  447    HB2  SER  55           HB2      SER  55   0.468 -27.608  -1.022
  448    HB3  SER  55           HB3      SER  55  -1.180 -27.523  -1.658
  449    H    PHE  56           H        PHE  56  -0.397 -25.294   1.821
  450    HA   PHE  56           HA       PHE  56   2.050 -26.150   2.957
  451    HD1  PHE  56           HD1      PHE  56   3.788 -24.680   3.688
  452    HD2  PHE  56           HD2      PHE  56   0.471 -23.136   5.981
  453    HE1  PHE  56           HE1      PHE  56   5.350 -23.918   5.455
  454    HE2  PHE  56           HE2      PHE  56   2.042 -22.343   7.712
  455    HZ   PHE  56           HZ       PHE  56   4.495 -22.686   7.425
  456    HB2  PHE  56           HB2      PHE  56   1.362 -23.807   2.698
  457    HB3  PHE  56           HB3      PHE  56   0.071 -24.035   3.866
  458    H    VAL  57           H        VAL  57  -1.322 -26.166   4.345
  459    HA   VAL  57           HA       VAL  57  -0.559 -27.382   6.800
  460    HB   VAL  57           HB       VAL  57  -3.187 -27.372   5.275
  461   HG11  VAL  57          HG11      VAL  57  -4.273 -28.195   7.352
  462   HG12  VAL  57          HG12      VAL  57  -3.210 -29.423   6.662
  463   HG13  VAL  57          HG13      VAL  57  -2.674 -28.488   8.072
  464   HG21  VAL  57          HG23      VAL  57  -2.387 -25.215   6.294
  465   HG22  VAL  57          HG21      VAL  57  -3.874 -25.820   7.043
  466   HG23  VAL  57          HG22      VAL  57  -2.325 -26.021   7.873
  467    H    GLU  58           H        GLU  58  -1.476 -28.874   3.630
  468    HA   GLU  58           HA       GLU  58  -1.402 -31.544   4.528
  469    HB2  GLU  58           HB2      GLU  58  -0.776 -30.361   1.799
  470    HB3  GLU  58           HB3      GLU  58  -0.877 -32.089   2.099
  471    HG2  GLU  58           HG2      GLU  58  -3.167 -30.148   2.622
  472    HG3  GLU  58           HG3      GLU  58  -2.948 -31.047   1.132
  473    H    ALA  59           H        ALA  59   1.249 -29.477   3.352
  474    HA   ALA  59           HA       ALA  59   3.266 -31.495   3.474
  475    HB1  ALA  59           HB3      ALA  59   4.839 -29.631   3.337
  476    HB2  ALA  59           HB1      ALA  59   3.513 -29.401   2.184
  477    HB3  ALA  59           HB2      ALA  59   3.551 -28.465   3.698
  478    H    VAL  60           H        VAL  60   2.189 -28.990   5.836
  479    HA   VAL  60           HA       VAL  60   4.147 -29.540   7.817
  480    HB   VAL  60           HB       VAL  60   1.355 -28.336   7.928
  481   HG11  VAL  60          HG11      VAL  60   1.826 -29.233  10.179
  482   HG12  VAL  60          HG12      VAL  60   3.413 -28.442  10.174
  483   HG13  VAL  60          HG13      VAL  60   1.919 -27.477  10.173
  484   HG21  VAL  60          HG23      VAL  60   3.233 -27.065   6.734
  485   HG22  VAL  60          HG21      VAL  60   2.510 -26.216   8.103
  486   HG23  VAL  60          HG22      VAL  60   4.084 -27.018   8.273
  487    H    LYS  61           H        LYS  61   0.781 -30.863   7.418
  488    HA   LYS  61           HA       LYS  61   1.106 -32.509   9.731
  489    HB2  LYS  61           HB2      LYS  61  -1.026 -33.449   9.278
  490    HB3  LYS  61           HB3      LYS  61  -1.057 -31.727   8.989
  491    HG2  LYS  61           HG2      LYS  61  -2.260 -32.323   7.193
  492    HG3  LYS  61           HG3      LYS  61  -0.665 -32.396   6.474
  493    HD2  LYS  61           HD2      LYS  61  -1.852 -34.329   5.755
  494    HD3  LYS  61           HD3      LYS  61  -0.643 -34.897   6.913
  495    HE2  LYS  61           HE2      LYS  61  -2.385 -34.974   8.691
  496    HE3  LYS  61           HE3      LYS  61  -3.581 -34.351   7.548
  497    HZ1  LYS  61           HZ3      LYS  61  -2.177 -36.951   7.293
  498    HZ2  LYS  61           HZ1      LYS  61  -3.723 -36.747   7.761
  499    HZ3  LYS  61           HZ2      LYS  61  -3.287 -36.373   6.240
  500    H    ASN  62           H        ASN  62   1.933 -33.092   6.321
  501    HA   ASN  62           HA       ASN  62   2.400 -35.895   6.620
  502    HB2  ASN  62           HB2      ASN  62   2.358 -34.699   4.423
  503    HB3  ASN  62           HB3      ASN  62   3.888 -33.920   4.835
  504   HD21  ASN  62          HD22      ASN  62   5.875 -35.287   4.934
  505   HD22  ASN  62          HD21      ASN  62   5.857 -36.848   4.153
  506    H    GLY  63           H        GLY  63   4.350 -33.004   7.262
  507    HA2  GLY  63           HA2      GLY  63   6.175 -32.679   8.638
  508    HA3  GLY  63           HA3      GLY  63   6.199 -34.391   9.072
  509    H    SER  64           H        SER  64   8.558 -33.346   8.611
  510    HA   SER  64           HA       SER  64   9.622 -33.692   5.941
  511    HG   SER  64           HG       SER  64  11.581 -33.343   9.506
  512    HB2  SER  64           HB2      SER  64  11.777 -33.666   7.195
  513    HB3  SER  64           HB3      SER  64  10.726 -32.342   7.697
  514    HA   PRO  65           HA       PRO  65  10.147 -38.210   6.237
  515    HB2  PRO  65           HB2      PRO  65  12.733 -38.648   5.386
  516    HB3  PRO  65           HB3      PRO  65  11.368 -38.258   4.297
  517    HG2  PRO  65           HG2      PRO  65  13.419 -36.357   5.467
  518    HG3  PRO  65           HG3      PRO  65  12.900 -36.506   3.756
  519    HD2  PRO  65           HD2      PRO  65  11.854 -34.609   5.358
  520    HD3  PRO  65           HD3      PRO  65  10.806 -35.484   4.213
  521    H    PHE  66           H        PHE  66  11.649 -35.969   8.298
  522    HA   PHE  66           HA       PHE  66  13.088 -38.030   9.875
  523    HD1  PHE  66           HD1      PHE  66  15.380 -37.909   8.859
  524    HD2  PHE  66           HD2      PHE  66  14.082 -33.836   8.254
  525    HE1  PHE  66           HE1      PHE  66  16.804 -37.751   6.833
  526    HE2  PHE  66           HE2      PHE  66  15.507 -33.686   6.230
  527    HZ   PHE  66           HZ       PHE  66  16.870 -35.642   5.513
  528    HB2  PHE  66           HB2      PHE  66  13.268 -35.017  10.102
  529    HB3  PHE  66           HB3      PHE  66  14.355 -36.212  10.789
  530    H    SER  67           H        SER  67  10.060 -36.434   9.847
  531    HA   SER  67           HA       SER  67   9.837 -36.487  12.812
  532    HG   SER  67           HG       SER  67   9.510 -34.325   9.924
  533    HB2  SER  67           HB2      SER  67   8.214 -34.598  12.398
  534    HB3  SER  67           HB3      SER  67   9.913 -34.261  11.994
  535    H    LYS  68           H        LYS  68   7.510 -36.564  13.508
  536    HA   LYS  68           HA       LYS  68   5.631 -37.886  11.699
  537    HB2  LYS  68           HB2      LYS  68   6.713 -39.854  12.649
  538    HB3  LYS  68           HB3      LYS  68   6.573 -39.208  14.282
  539    HG2  LYS  68           HG2      LYS  68   4.923 -40.953  13.890
  540    HG3  LYS  68           HG3      LYS  68   4.137 -39.416  14.223
  541    HD2  LYS  68           HD2      LYS  68   3.710 -39.116  11.773
  542    HD3  LYS  68           HD3      LYS  68   4.498 -40.682  11.468
  543    HE2  LYS  68           HE2      LYS  68   2.805 -41.791  12.920
  544    HE3  LYS  68           HE3      LYS  68   2.046 -40.222  13.232
  545    HZ1  LYS  68           HZ3      LYS  68   2.228 -41.518  10.572
  546    HZ2  LYS  68           HZ1      LYS  68   0.892 -41.445  11.499
  547    HZ3  LYS  68           HZ2      LYS  68   1.515 -40.075  10.875
  548    H    VAL  69           H        VAL  69   4.228 -36.208  11.833
  549    HA   VAL  69           HA       VAL  69   3.493 -34.828  14.270
  550    HB   VAL  69           HB       VAL  69   2.046 -35.217  11.606
  551   HG11  VAL  69          HG11      VAL  69   0.437 -34.493  13.288
  552   HG12  VAL  69          HG12      VAL  69   1.539 -33.218  13.845
  553   HG13  VAL  69          HG13      VAL  69   0.805 -33.136  12.227
  554   HG21  VAL  69          HG23      VAL  69   2.873 -32.914  11.103
  555   HG22  VAL  69          HG21      VAL  69   3.852 -32.954  12.569
  556   HG23  VAL  69          HG22      VAL  69   4.186 -34.076  11.233
  557    H    THR  70           H        THR  70   1.898 -35.441  15.753
  558    HA   THR  70           HA       THR  70   0.298 -37.886  15.155
  559    HB   THR  70           HB       THR  70   0.357 -38.348  17.569
  560    HG1  THR  70           HG1      THR  70   1.546 -37.134  18.922
  561   HG21  THR  70          HG23      THR  70   2.667 -39.136  17.723
  562   HG22  THR  70          HG21      THR  70   2.086 -39.368  16.065
  563   HG23  THR  70          HG22      THR  70   3.179 -38.017  16.442
  564    H    ASP  71           H        ASP  71   0.267 -34.482  16.009
  565    HA   ASP  71           HA       ASP  71  -2.642 -34.514  15.720
  566    HB2  ASP  71           HB2      ASP  71  -2.368 -34.740  18.178
  567    HB3  ASP  71           HB3      ASP  71  -1.284 -33.342  18.187
  568    H    ILE  72           H        ILE  72  -3.417 -32.472  15.051
  569    HA   ILE  72           HA       ILE  72  -1.639 -30.217  14.838
  570    HB   ILE  72           HB       ILE  72  -0.933 -31.393  12.854
  571   HG12  ILE  72          HG12      ILE  72  -2.757 -29.072  12.096
  572   HG13  ILE  72          HG13      ILE  72  -1.132 -28.947  12.777
  573   HG21  ILE  72          HG21      ILE  72  -2.897 -32.872  12.484
  574   HG22  ILE  72          HG22      ILE  72  -3.819 -31.475  11.884
  575   HG23  ILE  72          HG23      ILE  72  -2.391 -32.061  11.010
  576   HD11  ILE  72          HD13      ILE  72  -0.293 -30.218  10.738
  577   HD12  ILE  72          HD11      ILE  72  -1.929 -29.986  10.050
  578   HD13  ILE  72          HD12      ILE  72  -0.929 -28.588  10.435
  579    H    SER  73           H        SER  73  -2.837 -28.301  14.606
  580    HA   SER  73           HA       SER  73  -5.779 -28.451  14.265
  581    HG   SER  73           HG       SER  73  -5.535 -28.360  17.858
  582    HB2  SER  73           HB2      SER  73  -4.350 -26.934  16.498
  583    HB3  SER  73           HB3      SER  73  -6.089 -26.920  16.164
  584    H    VAL  74           H        VAL  74  -6.627 -26.455  13.422
  585    HA   VAL  74           HA       VAL  74  -4.663 -24.441  12.505
  586    HB   VAL  74           HB       VAL  74  -6.756 -25.771  10.725
  587   HG11  VAL  74          HG11      VAL  74  -6.329 -23.466  10.025
  588   HG12  VAL  74          HG12      VAL  74  -4.574 -23.732  10.091
  589   HG13  VAL  74          HG13      VAL  74  -5.573 -24.566   8.880
  590   HG21  VAL  74          HG23      VAL  74  -4.970 -27.395  11.086
  591   HG22  VAL  74          HG21      VAL  74  -4.850 -26.738   9.456
  592   HG23  VAL  74          HG22      VAL  74  -3.739 -26.166  10.718
  593    H    THR  75           H        THR  75  -5.548 -22.391  12.329
  594    HA   THR  75           HA       THR  75  -8.452 -21.978  12.545
  595    HB   THR  75           HB       THR  75  -6.535 -20.209  14.098
  596    HG1  THR  75           HG1      THR  75  -6.376 -22.279  15.000
  597   HG21  THR  75          HG23      THR  75  -8.750 -19.253  13.700
  598   HG22  THR  75          HG21      THR  75  -9.535 -20.715  14.339
  599   HG23  THR  75          HG22      THR  75  -8.585 -19.659  15.408
  600    H    GLU  76           H        GLU  76  -8.934 -19.750  11.530
  601    HA   GLU  76           HA       GLU  76  -6.717 -18.655   9.954
  602    HB2  GLU  76           HB2      GLU  76  -7.772 -19.001   7.833
  603    HB3  GLU  76           HB3      GLU  76  -7.529 -20.558   8.608
  604    HG2  GLU  76           HG2      GLU  76 -10.158 -19.029   8.491
  605    HG3  GLU  76           HG3      GLU  76  -9.682 -20.308   7.388
  606    H    SER  77           H        SER  77  -7.255 -16.751   8.790
  607    HA   SER  77           HA       SER  77  -9.421 -15.106   9.990
  608    HG   SER  77           HG       SER  77  -6.595 -14.489  12.135
  609    HB2  SER  77           HB2      SER  77  -6.460 -14.377   9.857
  610    HB3  SER  77           HB3      SER  77  -7.770 -13.374  10.490
  611    H    ARG  78           H        ARG  78 -10.258 -13.674   8.572
  612    HA   ARG  78           HA       ARG  78  -9.350 -13.562   5.775
  613    HE   ARG  78           HE       ARG  78 -13.371 -14.047   8.064
  614    HB2  ARG  78           HB2      ARG  78 -11.569 -12.269   7.411
  615    HB3  ARG  78           HB3      ARG  78 -11.167 -11.681   5.800
  616    HG2  ARG  78           HG2      ARG  78 -13.062 -13.182   5.715
  617    HG3  ARG  78           HG3      ARG  78 -11.693 -13.815   4.804
  618    HD2  ARG  78           HD2      ARG  78 -12.827 -15.602   6.011
  619    HD3  ARG  78           HD3      ARG  78 -11.171 -15.378   6.582
  620   HH11  ARG  78          HH21      ARG  78 -11.206 -16.851   7.961
  621   HH12  ARG  78          HH22      ARG  78 -11.113 -17.037   9.685
  622   HH21  ARG  78          HH11      ARG  78 -13.428 -14.423  10.343
  623   HH22  ARG  78          HH12      ARG  78 -12.550 -15.731  11.035
  624    H    SER  79           H        SER  79  -9.182 -11.584   8.747
  625    HA   SER  79           HA       SER  79  -7.879  -9.311   7.737
  626    HG   SER  79           HG       SER  79  -9.282  -9.420  11.085
  627    HB2  SER  79           HB2      SER  79  -7.440 -10.654  10.435
  628    HB3  SER  79           HB3      SER  79  -7.301  -8.930  10.046
  629    H    LEU  80           H        LEU  80  -5.664  -8.787   7.770
  630    HA   LEU  80           HA       LEU  80  -3.707 -11.028   7.548
  631    HG   LEU  80           HG       LEU  80  -5.746 -10.300   5.139
  632    HB2  LEU  80           HB2      LEU  80  -3.974  -8.637   5.684
  633    HB3  LEU  80           HB3      LEU  80  -2.759  -9.901   5.574
  634   HD11  LEU  80          HD11      LEU  80  -3.478 -10.210   3.114
  635   HD12  LEU  80          HD12      LEU  80  -5.215 -10.452   2.788
  636   HD13  LEU  80          HD13      LEU  80  -4.648  -8.905   3.416
  637   HD21  LEU  80          HD23      LEU  80  -3.407 -12.222   4.723
  638   HD22  LEU  80          HD21      LEU  80  -4.706 -12.374   5.922
  639   HD23  LEU  80          HD22      LEU  80  -5.090 -12.505   4.210
  640    H    GLU  81           H        GLU  81  -1.490 -10.250   7.653
  641    HA   GLU  81           HA       GLU  81  -1.083  -7.584   8.939
  642    HB2  GLU  81           HB2      GLU  81   0.328 -10.217   9.520
  643    HB3  GLU  81           HB3      GLU  81   0.908  -8.634  10.058
  644    HG2  GLU  81           HG2      GLU  81  -1.265  -8.261  11.247
  645    HG3  GLU  81           HG3      GLU  81  -1.772  -9.890  10.797
  646    H    GLY  82           H        GLY  82  -0.078  -9.910   6.454
  647    HA2  GLY  82           HA2      GLY  82   0.583  -9.229   4.355
  648    HA3  GLY  82           HA3      GLY  82   0.896  -7.591   4.946
  649    H    HIS  83           H        HIS  83   2.168 -10.794   6.006
  650    HA   HIS  83           HA       HIS  83   4.915  -9.866   6.108
  651    HD1  HIS  83           HD1      HIS  83   6.887 -13.490   6.567
  652    HD2  HIS  83           HD2      HIS  83   5.198 -10.382   8.863
  653    HE1  HIS  83           HE1      HIS  83   8.525 -13.009   8.429
  654    HB2  HIS  83           HB2      HIS  83   3.542 -12.019   7.178
  655    HB3  HIS  83           HB3      HIS  83   4.396 -12.794   5.879
  656    H    HIS  84           H        HIS  84   6.660 -10.769   4.708
  657    HA   HIS  84           HA       HIS  84   5.738 -11.031   1.869
  658    HD1  HIS  84           HD1      HIS  84   9.871  -9.190   1.132
  659    HD2  HIS  84           HD2      HIS  84   5.908  -9.449  -0.270
  660    HE1  HIS  84           HE1      HIS  84   9.990  -8.933  -1.396
  661    HB2  HIS  84           HB2      HIS  84   6.532  -8.782   2.528
  662    HB3  HIS  84           HB3      HIS  84   8.082  -9.470   3.011
  663    H    ARG  85           H        ARG  85   7.812 -12.403   4.308
  664    HA   ARG  85           HA       ARG  85   8.750 -14.460   2.422
  665    HE   ARG  85           HE       ARG  85  12.689 -14.690   1.553
  666    HB2  ARG  85           HB2      ARG  85  10.563 -12.802   4.251
  667    HB3  ARG  85           HB3      ARG  85  11.045 -14.350   3.577
  668    HG2  ARG  85           HG2      ARG  85  10.363 -11.887   1.933
  669    HG3  ARG  85           HG3      ARG  85  11.981 -12.450   2.325
  670    HD2  ARG  85           HD2      ARG  85   9.927 -13.986   0.688
  671    HD3  ARG  85           HD3      ARG  85  11.305 -13.098   0.040
  672   HH11  ARG  85          HH21      ARG  85   9.826 -15.698  -0.369
  673   HH12  ARG  85          HH22      ARG  85  10.389 -17.362  -0.434
  674   HH21  ARG  85          HH11      ARG  85  13.299 -16.944   1.359
  675   HH22  ARG  85          HH12      ARG  85  12.229 -18.008   0.463
  676    H    PHE  86           H        PHE  86  10.065 -16.123   4.152
  677    HA   PHE  86           HA       PHE  86   8.094 -16.465   6.340
  678    HD1  PHE  86           HD1      PHE  86   9.203 -19.730   7.366
  679    HD2  PHE  86           HD2      PHE  86   5.797 -18.265   5.164
  680    HE1  PHE  86           HE1      PHE  86   7.680 -20.822   8.970
  681    HE2  PHE  86           HE2      PHE  86   4.278 -19.316   6.811
  682    HZ   PHE  86           HZ       PHE  86   5.220 -20.591   8.719
  683    HB2  PHE  86           HB2      PHE  86   7.967 -18.018   4.258
  684    HB3  PHE  86           HB3      PHE  86   9.394 -18.783   4.948
  685    H    SER  87           H        SER  87   8.936 -16.661   8.339
  686    HA   SER  87           HA       SER  87  11.911 -16.824   8.562
  687    HG   SER  87           HG       SER  87  10.964 -13.437   9.018
  688    HB2  SER  87           HB2      SER  87   9.985 -15.198  10.263
  689    HB3  SER  87           HB3      SER  87  11.753 -15.126  10.252
  690    H    ILE  88           H        ILE  88  12.782 -17.530  10.589
  691    HA   ILE  88           HA       ILE  88  11.035 -19.392  12.138
  692    HB   ILE  88           HB       ILE  88  14.021 -19.379  11.559
  693   HG12  ILE  88          HG12      ILE  88  12.046 -21.594  10.864
  694   HG13  ILE  88          HG13      ILE  88  12.262 -20.233   9.775
  695   HG21  ILE  88          HG21      ILE  88  12.385 -21.269  13.306
  696   HG22  ILE  88          HG22      ILE  88  14.092 -21.510  12.844
  697   HG23  ILE  88          HG23      ILE  88  13.640 -20.144  13.859
  698   HD11  ILE  88          HD13      ILE  88  13.660 -22.045   9.064
  699   HD12  ILE  88          HD11      ILE  88  14.647 -20.665   9.587
  700   HD13  ILE  88          HD12      ILE  88  14.487 -22.101  10.637
  701    H    VAL  89           H        VAL  89  10.641 -18.743  14.196
  702    HA   VAL  89           HA       VAL  89  12.223 -16.510  15.367
  703    HB   VAL  89           HB       VAL  89  10.221 -15.251  15.801
  704   HG11  VAL  89          HG11      VAL  89  10.153 -16.005  12.857
  705   HG12  VAL  89          HG12      VAL  89   9.583 -14.504  13.604
  706   HG13  VAL  89          HG13      VAL  89  11.311 -14.882  13.606
  707   HG21  VAL  89          HG23      VAL  89   8.628 -17.430  14.391
  708   HG22  VAL  89          HG21      VAL  89   8.560 -17.029  16.117
  709   HG23  VAL  89          HG22      VAL  89   8.001 -15.855  14.925
  710    H    TYR  90           H        TYR  90  11.268 -16.075  17.692
  711    HA   TYR  90           HA       TYR  90  10.531 -18.600  19.060
  712    HD1  TYR  90           HD2      TYR  90  12.337 -20.563  19.450
  713    HD2  TYR  90           HD1      TYR  90  14.404 -17.116  17.871
  714    HE1  TYR  90           HE2      TYR  90  13.500 -22.010  17.830
  715    HE2  TYR  90           HE1      TYR  90  15.580 -18.559  16.241
  716    HH   TYR  90           HH       TYR  90  15.832 -20.709  15.404
  717    HB2  TYR  90           HB2      TYR  90  12.942 -16.877  19.776
  718    HB3  TYR  90           HB3      TYR  90  12.385 -18.301  20.650
  719    H    SER  91           H        SER  91   9.286 -15.861  18.442
  720    HA   SER  91           HA       SER  91   9.158 -14.173  20.625
  721    HG   SER  91           HG       SER  91   7.914 -13.225  17.375
  722    HB2  SER  91           HB2      SER  91   6.860 -14.807  18.739
  723    HB3  SER  91           HB3      SER  91   7.205 -13.278  19.560
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -6.183 -11.800  -0.070
    2    H2   MET   1           H2       MET   1  -5.417 -12.528  -1.330
    3    H3   MET   1           H3       MET   1  -6.730 -13.224  -0.639
    4    HA   MET   1           HA       MET   1  -4.758 -14.370   0.073
    5    HB2  MET   1           HB2      MET   1  -3.978 -11.623   1.144
    6    HB3  MET   1           HB3      MET   1  -3.232 -13.135   1.664
    7    HG2  MET   1           HG2      MET   1  -2.391 -13.586  -0.570
    8    HG3  MET   1           HG3      MET   1  -3.212 -12.155  -1.200
    9    HE1  MET   1           HE3      MET   1  -1.006 -12.731   2.114
   10    HE2  MET   1           HE1      MET   1  -0.057 -13.489   0.812
   11    HE3  MET   1           HE2      MET   1   0.520 -11.999   1.583
   12    H    LEU   2           H        LEU   2  -4.436 -15.104   2.347
   13    HA   LEU   2           HA       LEU   2  -6.574 -14.402   4.265
   14    HG   LEU   2           HG       LEU   2  -6.958 -17.165   5.517
   15    HB2  LEU   2           HB2      LEU   2  -7.247 -16.268   2.620
   16    HB3  LEU   2           HB3      LEU   2  -5.871 -17.181   3.211
   17   HD11  LEU   2          HD11      LEU   2  -9.335 -16.616   5.674
   18   HD12  LEU   2          HD12      LEU   2  -8.458 -15.184   5.121
   19   HD13  LEU   2          HD13      LEU   2  -9.382 -16.144   3.958
   20   HD21  LEU   2          HD23      LEU   2  -8.623 -18.882   4.918
   21   HD22  LEU   2          HD21      LEU   2  -8.539 -18.385   3.217
   22   HD23  LEU   2          HD22      LEU   2  -7.115 -19.095   4.005
   23    H    GLN   3           H        GLN   3  -5.989 -15.439   6.430
   24    HA   GLN   3           HA       GLN   3  -3.067 -15.971   6.749
   25    HB2  GLN   3           HB2      GLN   3  -3.781 -13.781   7.724
   26    HB3  GLN   3           HB3      GLN   3  -5.052 -14.607   8.607
   27    HG2  GLN   3           HG2      GLN   3  -3.289 -15.902   9.860
   28    HG3  GLN   3           HG3      GLN   3  -2.060 -14.957   9.028
   29   HE21  GLN   3          HE22      GLN   3  -1.792 -12.676   9.628
   30   HE22  GLN   3          HE21      GLN   3  -2.547 -12.059  11.092
   31    H    TYR   4           H        TYR   4  -2.606 -17.847   7.852
   32    HA   TYR   4           HA       TYR   4  -4.782 -19.347   9.248
   33    HD1  TYR   4           HD1      TYR   4  -5.741 -19.536   7.087
   34    HD2  TYR   4           HD2      TYR   4  -3.299 -23.088   7.194
   35    HE1  TYR   4           HE1      TYR   4  -7.433 -20.727   5.771
   36    HE2  TYR   4           HE2      TYR   4  -4.971 -24.270   5.798
   37    HH   TYR   4           HH       TYR   4  -8.042 -22.713   4.757
   38    HB2  TYR   4           HB2      TYR   4  -2.463 -20.350   7.557
   39    HB3  TYR   4           HB3      TYR   4  -3.074 -21.295   8.886
   40    H    ARG   5           H        ARG   5  -4.121 -20.284  11.198
   41    HA   ARG   5           HA       ARG   5  -1.323 -19.904  12.104
   42    HE   ARG   5           HE       ARG   5  -0.593 -19.850  17.071
   43    HB2  ARG   5           HB2      ARG   5  -2.917 -18.482  13.501
   44    HB3  ARG   5           HB3      ARG   5  -3.772 -19.971  13.921
   45    HG2  ARG   5           HG2      ARG   5  -1.500 -20.829  14.855
   46    HG3  ARG   5           HG3      ARG   5  -0.920 -19.161  14.632
   47    HD2  ARG   5           HD2      ARG   5  -2.791 -18.373  16.100
   48    HD3  ARG   5           HD3      ARG   5  -3.317 -20.065  16.290
   49   HH11  ARG   5          HH11      ARG   5  -3.804 -18.831  18.188
   50   HH12  ARG   5          HH12      ARG   5  -3.422 -18.950  19.864
   51   HH21  ARG   5          HH21      ARG   5  -0.083 -20.075  19.339
   52   HH22  ARG   5          HH22      ARG   5  -1.270 -19.634  20.518
   53    H    ILE   6           H        ILE   6  -0.481 -21.925  12.786
   54    HA   ILE   6           HA       ILE   6  -2.305 -24.269  12.660
   55    HB   ILE   6           HB       ILE   6   0.432 -24.157  11.361
   56   HG12  ILE   6          HG12      ILE   6  -2.199 -24.235   9.827
   57   HG13  ILE   6          HG13      ILE   6  -1.289 -22.751  10.083
   58   HG21  ILE   6          HG21      ILE   6  -1.737 -26.289  11.275
   59   HG22  ILE   6          HG22      ILE   6  -0.206 -26.352  10.387
   60   HG23  ILE   6          HG23      ILE   6  -0.196 -26.389  12.141
   61   HD11  ILE   6          HD13      ILE   6  -0.760 -23.573   7.909
   62   HD12  ILE   6          HD11      ILE   6   0.676 -23.685   8.944
   63   HD13  ILE   6          HD12      ILE   6  -0.250 -25.146   8.543
   64    H    ILE   7           H        ILE   7  -1.723 -25.852  14.149
   65    HA   ILE   7           HA       ILE   7   0.650 -25.396  15.877
   66    HB   ILE   7           HB       ILE   7  -2.159 -26.124  16.813
   67   HG12  ILE   7          HG12      ILE   7  -2.071 -23.702  16.283
   68   HG13  ILE   7          HG13      ILE   7  -2.319 -24.027  17.982
   69   HG21  ILE   7          HG21      ILE   7   0.435 -25.763  18.372
   70   HG22  ILE   7          HG22      ILE   7  -1.178 -25.893  19.114
   71   HG23  ILE   7          HG23      ILE   7  -0.524 -27.246  18.185
   72   HD11  ILE   7          HD13      ILE   7  -0.743 -22.148  17.502
   73   HD12  ILE   7          HD11      ILE   7  -0.036 -23.407  18.530
   74   HD13  ILE   7          HD12      ILE   7   0.396 -23.305  16.811
   75    H    VAL   8           H        VAL   8   1.691 -27.382  16.326
   76    HA   VAL   8           HA       VAL   8   0.459 -29.848  15.192
   77    HB   VAL   8           HB       VAL   8   3.380 -29.345  14.728
   78   HG11  VAL   8          HG11      VAL   8   2.357 -31.499  14.160
   79   HG12  VAL   8          HG12      VAL   8   1.209 -30.692  13.073
   80   HG13  VAL   8          HG13      VAL   8   2.947 -30.685  12.708
   81   HG21  VAL   8          HG23      VAL   8   1.311 -28.127  12.858
   82   HG22  VAL   8          HG21      VAL   8   2.484 -27.217  13.847
   83   HG23  VAL   8          HG22      VAL   8   3.063 -28.272  12.571
   84    H    ASP   9           H        ASP   9   1.187 -31.794  16.201
   85    HA   ASP   9           HA       ASP   9   3.127 -31.552  18.423
   86    HB2  ASP   9           HB2      ASP   9   0.795 -31.300  19.351
   87    HB3  ASP   9           HB3      ASP   9   0.398 -32.865  18.648
   88    H    GLY  10           H        GLY  10   3.955 -33.656  19.069
   89    HA2  GLY  10           HA2      GLY  10   3.830 -36.139  18.494
   90    HA3  GLY  10           HA3      GLY  10   4.052 -35.611  16.820
   91    H    ARG  11           H        ARG  11   6.012 -36.816  16.770
   92    HA   ARG  11           HA       ARG  11   8.400 -35.712  18.128
   93    HE   ARG  11           HE       ARG  11   9.953 -39.909  16.608
   94    HB2  ARG  11           HB2      ARG  11   8.253 -38.140  17.435
   95    HB3  ARG  11           HB3      ARG  11   8.133 -37.610  15.762
   96    HG2  ARG  11           HG2      ARG  11  10.419 -36.296  16.468
   97    HG3  ARG  11           HG3      ARG  11  10.501 -37.632  17.614
   98    HD2  ARG  11           HD2      ARG  11  10.230 -37.813  14.590
   99    HD3  ARG  11           HD3      ARG  11  11.703 -38.146  15.513
  100   HH11  ARG  11          HH21      ARG  11  10.902 -39.254  13.242
  101   HH12  ARG  11          HH22      ARG  11  10.513 -40.846  12.682
  102   HH21  ARG  11          HH11      ARG  11   9.439 -42.025  15.855
  103   HH22  ARG  11          HH12      ARG  11   9.687 -42.454  14.208
  104    H    VAL  12           H        VAL  12   7.796 -33.494  17.569
  105    HA   VAL  12           HA       VAL  12   8.232 -32.789  14.704
  106    HB   VAL  12           HB       VAL  12   6.518 -31.059  14.953
  107   HG11  VAL  12          HG11      VAL  12   5.929 -33.298  14.072
  108   HG12  VAL  12          HG12      VAL  12   5.420 -33.798  15.693
  109   HG13  VAL  12          HG13      VAL  12   4.570 -32.481  14.872
  110   HG21  VAL  12          HG23      VAL  12   4.999 -30.932  16.820
  111   HG22  VAL  12          HG21      VAL  12   5.796 -32.276  17.654
  112   HG23  VAL  12          HG22      VAL  12   6.639 -30.738  17.450
  113    H    GLN  13           H        GLN  13  10.057 -32.741  17.248
  114    HA   GLN  13           HA       GLN  13  11.243 -30.153  16.515
  115    HB2  GLN  13           HB2      GLN  13  10.897 -31.036  19.420
  116    HB3  GLN  13           HB3      GLN  13  11.854 -29.674  18.835
  117    HG2  GLN  13           HG2      GLN  13   9.691 -28.686  17.910
  118    HG3  GLN  13           HG3      GLN  13   8.825 -29.950  18.778
  119   HE21  GLN  13          HE22      GLN  13   8.012 -27.533  19.566
  120   HE22  GLN  13          HE21      GLN  13   8.767 -26.999  21.041
  121    H    GLY  14           H        GLY  14  13.505 -30.294  16.549
  122    HA2  GLY  14           HA2      GLY  14  15.585 -31.261  16.706
  123    HA3  GLY  14           HA3      GLY  14  14.943 -32.569  17.721
  124    H    VAL  15           H        VAL  15  13.637 -31.548  14.566
  125    HA   VAL  15           HA       VAL  15  14.566 -34.058  13.262
  126    HB   VAL  15           HB       VAL  15  12.251 -34.467  12.431
  127   HG11  VAL  15          HG11      VAL  15  13.183 -35.766  14.312
  128   HG12  VAL  15          HG12      VAL  15  12.456 -34.617  15.458
  129   HG13  VAL  15          HG13      VAL  15  11.427 -35.588  14.391
  130   HG21  VAL  15          HG23      VAL  15  11.401 -32.421  14.521
  131   HG22  VAL  15          HG21      VAL  15  11.210 -32.302  12.758
  132   HG23  VAL  15          HG22      VAL  15  10.323 -33.536  13.659
  133    H    GLY  16           H        GLY  16  14.219 -30.702  13.102
  134    HA2  GLY  16           HA2      GLY  16  15.221 -29.449  11.379
  135    HA3  GLY  16           HA3      GLY  16  14.862 -30.726  10.198
  136    H    PHE  17           H        PHE  17  12.482 -29.724  12.678
  137    HA   PHE  17           HA       PHE  17  10.481 -29.712  10.614
  138    HD1  PHE  17           HD2      PHE  17   7.961 -27.607  11.918
  139    HD2  PHE  17           HD1      PHE  17   8.708 -31.790  12.573
  140    HE1  PHE  17           HE2      PHE  17   5.614 -28.132  11.286
  141    HE2  PHE  17           HE1      PHE  17   6.386 -32.322  11.887
  142    HZ   PHE  17           HZ       PHE  17   4.830 -30.490  11.245
  143    HB2  PHE  17           HB2      PHE  17  10.329 -30.218  13.213
  144    HB3  PHE  17           HB3      PHE  17   9.970 -28.508  13.331
  145    H    ARG  18           H        ARG  18  12.071 -27.035  12.517
  146    HA   ARG  18           HA       ARG  18  10.409 -24.985  11.391
  147    HE   ARG  18           HE       ARG  18  13.185 -25.915  14.885
  148    HB2  ARG  18           HB2      ARG  18  13.225 -24.955  12.548
  149    HB3  ARG  18           HB3      ARG  18  12.401 -23.491  12.019
  150    HG2  ARG  18           HG2      ARG  18  10.678 -23.685  13.629
  151    HG3  ARG  18           HG3      ARG  18  11.071 -25.361  14.017
  152    HD2  ARG  18           HD2      ARG  18  12.993 -23.062  14.545
  153    HD3  ARG  18           HD3      ARG  18  11.781 -23.612  15.717
  154   HH11  ARG  18          HH21      ARG  18  14.009 -22.872  16.582
  155   HH12  ARG  18          HH22      ARG  18  15.124 -23.638  17.658
  156   HH21  ARG  18          HH11      ARG  18  14.457 -26.900  16.388
  157   HH22  ARG  18          HH12      ARG  18  15.520 -25.988  17.455
  158    H    TYR  19           H        TYR  19  13.550 -26.302  10.243
  159    HA   TYR  19           HA       TYR  19  13.726 -24.447   8.050
  160    HD1  TYR  19           HD1      TYR  19  15.475 -23.769   6.806
  161    HD2  TYR  19           HD2      TYR  19  16.483 -27.973   6.821
  162    HE1  TYR  19           HE1      TYR  19  16.764 -23.464   4.727
  163    HE2  TYR  19           HE2      TYR  19  17.790 -27.668   4.747
  164    HH   TYR  19           HH       TYR  19  18.518 -26.163   3.120
  165    HB2  TYR  19           HB2      TYR  19  15.670 -25.618   9.049
  166    HB3  TYR  19           HB3      TYR  19  15.041 -27.159   8.479
  167    H    PHE  20           H        PHE  20  12.435 -27.804   8.354
  168    HA   PHE  20           HA       PHE  20  11.748 -28.194   5.647
  169    HD1  PHE  20           HD1      PHE  20  10.740 -30.692   4.831
  170    HD2  PHE  20           HD2      PHE  20   8.199 -29.351   8.055
  171    HE1  PHE  20           HE1      PHE  20   8.766 -31.686   3.699
  172    HE2  PHE  20           HE2      PHE  20   6.231 -30.323   6.902
  173    HZ   PHE  20           HZ       PHE  20   6.510 -31.500   4.734
  174    HB2  PHE  20           HB2      PHE  20  11.641 -30.027   7.177
  175    HB3  PHE  20           HB3      PHE  20  10.553 -29.173   8.258
  176    H    VAL  21           H        VAL  21   9.740 -26.746   8.307
  177    HA   VAL  21           HA       VAL  21   7.550 -26.125   6.621
  178    HB   VAL  21           HB       VAL  21   8.502 -24.938   9.257
  179   HG11  VAL  21          HG11      VAL  21   6.239 -24.015   9.539
  180   HG12  VAL  21          HG12      VAL  21   7.006 -23.290   8.127
  181   HG13  VAL  21          HG13      VAL  21   5.795 -24.574   7.915
  182   HG21  VAL  21          HG23      VAL  21   7.782 -27.338   9.321
  183   HG22  VAL  21          HG21      VAL  21   6.642 -26.296  10.178
  184   HG23  VAL  21          HG22      VAL  21   6.261 -26.900   8.550
  185    H    GLN  22           H        GLN  22  10.529 -24.203   7.374
  186    HA   GLN  22           HA       GLN  22   9.661 -21.874   6.005
  187    HB2  GLN  22           HB2      GLN  22  11.592 -21.932   7.534
  188    HB3  GLN  22           HB3      GLN  22  12.499 -22.931   6.384
  189    HG2  GLN  22           HG2      GLN  22  12.441 -21.117   4.726
  190    HG3  GLN  22           HG3      GLN  22  11.433 -20.140   5.797
  191   HE21  GLN  22          HE22      GLN  22  12.559 -18.538   6.851
  192   HE22  GLN  22          HE21      GLN  22  14.257 -18.644   7.278
  193    H    MET  23           H        MET  23  11.352 -24.816   4.755
  194    HA   MET  23           HA       MET  23  11.557 -23.719   2.075
  195    HB2  MET  23           HB2      MET  23  11.723 -26.580   3.141
  196    HB3  MET  23           HB3      MET  23  12.028 -26.129   1.459
  197    HG2  MET  23           HG2      MET  23  13.846 -24.615   2.178
  198    HG3  MET  23           HG3      MET  23  13.610 -25.113   3.852
  199    HE1  MET  23           HE3      MET  23  13.166 -28.321   3.668
  200    HE2  MET  23           HE1      MET  23  14.858 -28.788   3.932
  201    HE3  MET  23           HE2      MET  23  14.167 -27.419   4.831
  202    H    GLU  24           H        GLU  24   9.065 -25.786   3.722
  203    HA   GLU  24           HA       GLU  24   7.595 -26.252   1.303
  204    HB2  GLU  24           HB2      GLU  24   6.788 -26.261   4.246
  205    HB3  GLU  24           HB3      GLU  24   5.707 -26.710   2.932
  206    HG2  GLU  24           HG2      GLU  24   8.295 -28.124   3.675
  207    HG3  GLU  24           HG3      GLU  24   6.659 -28.697   3.942
  208    H    ALA  25           H        ALA  25   7.468 -23.647   3.773
  209    HA   ALA  25           HA       ALA  25   5.277 -22.227   2.632
  210    HB1  ALA  25           HB3      ALA  25   6.129 -21.738   4.888
  211    HB2  ALA  25           HB1      ALA  25   7.686 -21.215   4.212
  212    HB3  ALA  25           HB2      ALA  25   6.217 -20.292   3.867
  213    H    ASP  26           H        ASP  26   8.832 -22.070   2.033
  214    HA   ASP  26           HA       ASP  26   8.816 -19.986   0.141
  215    HB2  ASP  26           HB2      ASP  26  10.874 -21.030   1.197
  216    HB3  ASP  26           HB3      ASP  26  10.642 -22.426   0.171
  217    H    LYS  27           H        LYS  27   8.566 -23.532  -0.362
  218    HA   LYS  27           HA       LYS  27   8.245 -23.498  -3.166
  219    HB2  LYS  27           HB2      LYS  27   8.852 -25.452  -1.895
  220    HB3  LYS  27           HB3      LYS  27   7.343 -25.454  -1.012
  221    HG2  LYS  27           HG2      LYS  27   7.336 -25.744  -4.033
  222    HG3  LYS  27           HG3      LYS  27   7.818 -27.103  -3.039
  223    HD2  LYS  27           HD2      LYS  27   5.121 -25.708  -2.896
  224    HD3  LYS  27           HD3      LYS  27   5.443 -27.242  -3.680
  225    HE2  LYS  27           HE2      LYS  27   5.746 -26.692  -0.687
  226    HE3  LYS  27           HE3      LYS  27   4.364 -27.476  -1.435
  227    HZ1  LYS  27           HZ3      LYS  27   7.110 -28.570  -1.603
  228    HZ2  LYS  27           HZ1      LYS  27   6.032 -28.980  -0.453
  229    HZ3  LYS  27           HZ2      LYS  27   5.715 -29.323  -2.036
  230    H    ARG  28           H        ARG  28   5.835 -23.076  -0.589
  231    HA   ARG  28           HA       ARG  28   3.635 -22.803  -2.538
  232    HE   ARG  28           HE       ARG  28   3.371 -24.661  -2.907
  233    HB2  ARG  28           HB2      ARG  28   3.830 -22.649   0.501
  234    HB3  ARG  28           HB3      ARG  28   2.327 -22.461  -0.378
  235    HG2  ARG  28           HG2      ARG  28   4.008 -24.997  -0.521
  236    HG3  ARG  28           HG3      ARG  28   2.744 -24.718   0.654
  237    HD2  ARG  28           HD2      ARG  28   1.766 -26.026  -1.042
  238    HD3  ARG  28           HD3      ARG  28   1.095 -24.400  -1.205
  239   HH11  ARG  28          HH11      ARG  28   0.037 -25.857  -2.684
  240   HH12  ARG  28          HH12      ARG  28  -0.140 -26.067  -4.394
  241   HH21  ARG  28          HH21      ARG  28   3.122 -24.912  -5.186
  242   HH22  ARG  28          HH22      ARG  28   1.650 -25.516  -5.831
  243    H    LYS  29           H        LYS  29   6.057 -20.728  -1.827
  244    HA   LYS  29           HA       LYS  29   6.352 -18.522  -1.746
  245    HB2  LYS  29           HB2      LYS  29   3.924 -18.457  -3.581
  246    HB3  LYS  29           HB3      LYS  29   5.117 -17.176  -3.421
  247    HG2  LYS  29           HG2      LYS  29   5.727 -19.977  -4.466
  248    HG3  LYS  29           HG3      LYS  29   5.394 -18.560  -5.459
  249    HD2  LYS  29           HD2      LYS  29   7.393 -17.410  -4.581
  250    HD3  LYS  29           HD3      LYS  29   7.711 -18.754  -3.486
  251    HE2  LYS  29           HE2      LYS  29   9.190 -19.000  -5.333
  252    HE3  LYS  29           HE3      LYS  29   7.989 -20.289  -5.420
  253    HZ1  LYS  29           HZ3      LYS  29   6.848 -19.009  -7.148
  254    HZ2  LYS  29           HZ1      LYS  29   7.949 -17.802  -7.040
  255    HZ3  LYS  29           HZ2      LYS  29   8.396 -19.271  -7.577
  256    H    LEU  30           H        LEU  30   4.895 -19.525   0.452
  257    HA   LEU  30           HA       LEU  30   2.849 -17.539   1.191
  258    HG   LEU  30           HG       LEU  30   2.614 -20.627   1.002
  259    HB2  LEU  30           HB2      LEU  30   4.232 -19.803   2.697
  260    HB3  LEU  30           HB3      LEU  30   2.984 -18.774   3.381
  261   HD11  LEU  30          HD11      LEU  30   1.715 -20.863   3.896
  262   HD12  LEU  30          HD12      LEU  30   1.209 -21.931   2.569
  263   HD13  LEU  30          HD13      LEU  30   2.910 -21.869   3.063
  264   HD21  LEU  30          HD23      LEU  30   0.617 -18.868   2.467
  265   HD22  LEU  30          HD21      LEU  30   1.070 -18.806   0.744
  266   HD23  LEU  30          HD22      LEU  30   0.164 -20.186   1.364
  267    H    ALA  31           H        ALA  31   3.154 -16.380   3.252
  268    HA   ALA  31           HA       ALA  31   5.958 -15.722   3.990
  269    HB1  ALA  31           HB3      ALA  31   5.330 -13.382   4.224
  270    HB2  ALA  31           HB1      ALA  31   5.000 -13.881   2.560
  271    HB3  ALA  31           HB2      ALA  31   3.652 -13.745   3.721
  272    H    GLY  32           H        GLY  32   5.985 -14.944   6.354
  273    HA2  GLY  32           HA2      GLY  32   4.137 -14.878   8.285
  274    HA3  GLY  32           HA3      GLY  32   4.031 -16.580   7.822
  275    H    TRP  33           H        TRP  33   4.776 -17.354   9.819
  276    HA   TRP  33           HA       TRP  33   7.610 -17.586   9.852
  277    HD1  TRP  33           HD1      TRP  33   5.722 -17.487  13.932
  278    HE1  TRP  33           HE1      TRP  33   3.895 -15.968  14.863
  279    HE3  TRP  33           HE3      TRP  33   6.095 -13.649  10.564
  280    HZ2  TRP  33           HZ2      TRP  33   2.778 -13.349  14.266
  281    HZ3  TRP  33           HZ3      TRP  33   4.638 -11.658  10.765
  282    HH2  TRP  33           HH2      TRP  33   2.972 -11.496  12.608
  283    HB2  TRP  33           HB2      TRP  33   7.844 -16.929  12.300
  284    HB3  TRP  33           HB3      TRP  33   7.616 -15.615  11.170
  285    H    VAL  34           H        VAL  34   8.376 -19.079  11.594
  286    HA   VAL  34           HA       VAL  34   6.318 -20.925  12.672
  287    HB   VAL  34           HB       VAL  34   7.145 -21.932  10.603
  288   HG11  VAL  34          HG11      VAL  34   9.453 -22.614  10.247
  289   HG12  VAL  34          HG12      VAL  34   9.400 -20.859  10.455
  290   HG13  VAL  34          HG13      VAL  34   9.954 -21.890  11.786
  291   HG21  VAL  34          HG23      VAL  34   6.643 -23.392  12.574
  292   HG22  VAL  34          HG21      VAL  34   7.802 -24.101  11.439
  293   HG23  VAL  34          HG22      VAL  34   8.366 -23.413  12.967
  294    H    LYS  35           H        LYS  35   6.910 -21.839  14.706
  295    HA   LYS  35           HA       LYS  35   9.637 -21.397  15.676
  296    HB2  LYS  35           HB2      LYS  35   9.000 -20.388  17.768
  297    HB3  LYS  35           HB3      LYS  35   8.439 -19.376  16.446
  298    HG2  LYS  35           HG2      LYS  35   6.123 -20.188  16.750
  299    HG3  LYS  35           HG3      LYS  35   6.669 -21.341  17.978
  300    HD2  LYS  35           HD2      LYS  35   5.695 -19.508  19.131
  301    HD3  LYS  35           HD3      LYS  35   7.440 -19.470  19.408
  302    HE2  LYS  35           HE2      LYS  35   7.610 -17.733  17.558
  303    HE3  LYS  35           HE3      LYS  35   5.841 -17.720  17.481
  304    HZ1  LYS  35           HZ3      LYS  35   6.680 -15.957  18.906
  305    HZ2  LYS  35           HZ1      LYS  35   5.846 -17.020  19.822
  306    HZ3  LYS  35           HZ2      LYS  35   7.493 -17.030  19.851
  307    H    ASN  36           H        ASN  36  10.139 -22.726  17.504
  308    HA   ASN  36           HA       ASN  36   8.452 -25.150  17.885
  309    HB2  ASN  36           HB2      ASN  36  11.282 -24.319  18.680
  310    HB3  ASN  36           HB3      ASN  36  10.438 -25.572  19.555
  311   HD21  ASN  36          HD22      ASN  36  12.521 -26.697  18.661
  312   HD22  ASN  36          HD21      ASN  36  12.440 -27.437  17.073
  313    H    ARG  37           H        ARG  37   7.002 -25.097  19.593
  314    HA   ARG  37           HA       ARG  37   7.008 -22.795  21.444
  315    HE   ARG  37           HE       ARG  37   2.779 -24.261  22.658
  316    HB2  ARG  37           HB2      ARG  37   5.230 -25.278  21.232
  317    HB3  ARG  37           HB3      ARG  37   5.076 -24.028  22.466
  318    HG2  ARG  37           HG2      ARG  37   4.699 -22.313  20.686
  319    HG3  ARG  37           HG3      ARG  37   4.799 -23.580  19.458
  320    HD2  ARG  37           HD2      ARG  37   2.442 -22.967  20.014
  321    HD3  ARG  37           HD3      ARG  37   2.792 -24.661  20.323
  322   HH11  ARG  37          HH21      ARG  37   1.791 -21.273  20.873
  323   HH12  ARG  37          HH22      ARG  37   1.382 -20.463  22.344
  324   HH21  ARG  37          HH11      ARG  37   2.242 -23.226  24.433
  325   HH22  ARG  37          HH12      ARG  37   1.568 -21.611  24.450
  326    H    ASP  38           H        ASP  38   7.506 -22.989  23.671
  327    HA   ASP  38           HA       ASP  38   9.558 -24.840  24.360
  328    HB2  ASP  38           HB2      ASP  38   9.349 -22.639  25.414
  329    HB3  ASP  38           HB3      ASP  38   7.783 -23.083  26.101
  330    H    ASP  39           H        ASP  39   6.064 -24.948  24.773
  331    HA   ASP  39           HA       ASP  39   5.990 -27.202  26.516
  332    HB2  ASP  39           HB2      ASP  39   3.628 -27.298  26.074
  333    HB3  ASP  39           HB3      ASP  39   4.140 -25.642  26.354
  334    H    GLY  40           H        GLY  40   7.056 -27.115  23.325
  335    HA2  GLY  40           HA2      GLY  40   8.080 -29.051  22.471
  336    HA3  GLY  40           HA3      GLY  40   6.834 -30.072  23.188
  337    H    ARG  41           H        ARG  41   4.876 -27.809  21.950
  338    HA   ARG  41           HA       ARG  41   4.342 -29.265  19.482
  339    HE   ARG  41           HE       ARG  41   1.890 -26.879  22.670
  340    HB2  ARG  41           HB2      ARG  41   3.193 -26.764  20.777
  341    HB3  ARG  41           HB3      ARG  41   2.594 -27.402  19.251
  342    HG2  ARG  41           HG2      ARG  41   2.035 -29.546  20.286
  343    HG3  ARG  41           HG3      ARG  41   2.678 -29.022  21.845
  344    HD2  ARG  41           HD2      ARG  41   0.359 -27.690  20.397
  345    HD3  ARG  41           HD3      ARG  41   0.198 -28.900  21.684
  346   HH11  ARG  41          HH21      ARG  41  -1.529 -27.253  21.715
  347   HH12  ARG  41          HH22      ARG  41  -2.115 -26.054  22.806
  348   HH21  ARG  41          HH11      ARG  41   1.112 -25.292  24.107
  349   HH22  ARG  41          HH12      ARG  41  -0.584 -24.919  24.220
  350    H    VAL  42           H        VAL  42   3.982 -27.922  17.473
  351    HA   VAL  42           HA       VAL  42   6.102 -25.837  17.084
  352    HB   VAL  42           HB       VAL  42   4.828 -27.690  15.034
  353   HG11  VAL  42          HG11      VAL  42   5.096 -25.487  13.992
  354   HG12  VAL  42          HG12      VAL  42   6.774 -25.386  14.579
  355   HG13  VAL  42          HG13      VAL  42   6.308 -26.595  13.369
  356   HG21  VAL  42          HG23      VAL  42   7.727 -27.351  15.914
  357   HG22  VAL  42          HG21      VAL  42   6.672 -28.704  16.352
  358   HG23  VAL  42          HG22      VAL  42   7.128 -28.465  14.670
  359    H    GLU  43           H        GLU  43   5.354 -23.912  16.123
  360    HA   GLU  43           HA       GLU  43   2.428 -23.576  15.809
  361    HB2  GLU  43           HB2      GLU  43   2.883 -22.777  17.996
  362    HB3  GLU  43           HB3      GLU  43   4.333 -21.903  17.497
  363    HG2  GLU  43           HG2      GLU  43   2.988 -20.289  16.255
  364    HG3  GLU  43           HG3      GLU  43   1.514 -21.207  16.573
  365    H    ILE  44           H        ILE  44   1.938 -22.322  14.073
  366    HA   ILE  44           HA       ILE  44   4.106 -21.025  12.539
  367    HB   ILE  44           HB       ILE  44   1.940 -22.650  11.219
  368   HG12  ILE  44          HG12      ILE  44   4.552 -23.902  12.136
  369   HG13  ILE  44          HG13      ILE  44   2.933 -24.342  12.678
  370   HG21  ILE  44          HG21      ILE  44   4.782 -22.006  10.364
  371   HG22  ILE  44          HG22      ILE  44   3.512 -22.718   9.345
  372   HG23  ILE  44          HG23      ILE  44   3.351 -21.062   9.903
  373   HD11  ILE  44          HD13      ILE  44   3.673 -25.999  11.149
  374   HD12  ILE  44          HD11      ILE  44   2.373 -25.076  10.362
  375   HD13  ILE  44          HD12      ILE  44   4.068 -24.811   9.906
  376    H    LEU  45           H        LEU  45   3.287 -19.232  11.365
  377    HA   LEU  45           HA       LEU  45   0.375 -18.813  11.271
  378    HG   LEU  45           HG       LEU  45  -0.746 -16.763  11.961
  379    HB2  LEU  45           HB2      LEU  45   1.282 -17.558  13.260
  380    HB3  LEU  45           HB3      LEU  45   2.302 -16.621  12.170
  381   HD11  LEU  45          HD11      LEU  45  -0.810 -14.609  13.131
  382   HD12  LEU  45          HD12      LEU  45  -0.092 -15.860  14.153
  383   HD13  LEU  45          HD13      LEU  45   0.951 -14.662  13.357
  384   HD21  LEU  45          HD23      LEU  45  -0.358 -14.482  10.809
  385   HD22  LEU  45          HD21      LEU  45   1.354 -14.913  10.725
  386   HD23  LEU  45          HD22      LEU  45   0.127 -15.890   9.882
  387    H    ALA  46           H        ALA  46  -0.062 -18.403   9.121
  388    HA   ALA  46           HA       ALA  46   2.177 -17.575   7.357
  389    HB1  ALA  46           HB3      ALA  46   2.196 -20.044   7.415
  390    HB2  ALA  46           HB1      ALA  46   0.474 -20.072   6.965
  391    HB3  ALA  46           HB2      ALA  46   1.684 -19.434   5.831
  392    H    GLU  47           H        GLU  47   1.480 -16.741   5.344
  393    HA   GLU  47           HA       GLU  47  -1.374 -15.977   5.142
  394    HB2  GLU  47           HB2      GLU  47   1.064 -14.123   5.101
  395    HB3  GLU  47           HB3      GLU  47  -0.594 -13.660   4.663
  396    HG2  GLU  47           HG2      GLU  47  -1.351 -14.406   6.941
  397    HG3  GLU  47           HG3      GLU  47   0.342 -14.633   7.403
  398    H    GLY  48           H        GLY  48  -2.119 -15.934   3.071
  399    HA2  GLY  48           HA2      GLY  48  -0.802 -15.579   0.640
  400    HA3  GLY  48           HA3      GLY  48  -0.532 -17.267   1.076
  401    HA   PRO  49           HA       PRO  49  -4.791 -17.033  -0.806
  402    HB2  PRO  49           HB2      PRO  49  -4.440 -18.768  -2.897
  403    HB3  PRO  49           HB3      PRO  49  -4.072 -17.020  -3.001
  404    HG2  PRO  49           HG2      PRO  49  -2.162 -19.304  -2.524
  405    HG3  PRO  49           HG3      PRO  49  -1.961 -17.907  -3.619
  406    HD2  PRO  49           HD2      PRO  49  -0.843 -18.023  -1.101
  407    HD3  PRO  49           HD3      PRO  49  -1.364 -16.485  -1.853
  408    H    GLU  50           H        GLU  50  -6.364 -18.673  -0.542
  409    HA   GLU  50           HA       GLU  50  -5.939 -20.334   1.645
  410    HB2  GLU  50           HB2      GLU  50  -8.112 -19.411   0.874
  411    HB3  GLU  50           HB3      GLU  50  -8.110 -20.550  -0.479
  412    HG2  GLU  50           HG2      GLU  50  -8.125 -22.451   1.147
  413    HG3  GLU  50           HG3      GLU  50  -8.126 -21.295   2.482
  414    H    ASN  51           H        ASN  51  -5.894 -21.263  -1.846
  415    HA   ASN  51           HA       ASN  51  -5.745 -24.067  -1.360
  416    HB2  ASN  51           HB2      ASN  51  -6.301 -23.155  -3.574
  417    HB3  ASN  51           HB3      ASN  51  -4.692 -22.441  -3.715
  418   HD21  ASN  51          HD22      ASN  51  -3.189 -23.700  -4.840
  419   HD22  ASN  51          HD21      ASN  51  -3.305 -25.427  -5.032
  420    H    ALA  52           H        ALA  52  -3.200 -21.601  -1.564
  421    HA   ALA  52           HA       ALA  52  -0.988 -23.476  -1.495
  422    HB1  ALA  52           HB3      ALA  52  -0.695 -21.196  -2.378
  423    HB2  ALA  52           HB1      ALA  52  -1.095 -20.514  -0.777
  424    HB3  ALA  52           HB2      ALA  52   0.371 -21.479  -0.993
  425    H    LEU  53           H        LEU  53  -2.826 -21.568   0.948
  426    HA   LEU  53           HA       LEU  53  -1.260 -22.395   3.190
  427    HG   LEU  53           HG       LEU  53  -2.242 -19.745   2.450
  428    HB2  LEU  53           HB2      LEU  53  -4.131 -21.428   2.911
  429    HB3  LEU  53           HB3      LEU  53  -3.365 -21.737   4.456
  430   HD11  LEU  53          HD11      LEU  53  -4.032 -19.239   4.863
  431   HD12  LEU  53          HD12      LEU  53  -3.252 -18.002   3.854
  432   HD13  LEU  53          HD13      LEU  53  -4.485 -19.053   3.153
  433   HD21  LEU  53          HD23      LEU  53  -0.589 -20.541   4.107
  434   HD22  LEU  53          HD21      LEU  53  -1.031 -18.860   4.412
  435   HD23  LEU  53          HD22      LEU  53  -1.707 -20.150   5.425
  436    H    GLN  54           H        GLN  54  -4.194 -23.866   1.665
  437    HA   GLN  54           HA       GLN  54  -4.484 -25.915   3.621
  438    HB2  GLN  54           HB2      GLN  54  -5.316 -25.637   0.704
  439    HB3  GLN  54           HB3      GLN  54  -5.716 -27.068   1.644
  440    HG2  GLN  54           HG2      GLN  54  -6.494 -24.303   2.627
  441    HG3  GLN  54           HG3      GLN  54  -7.462 -25.192   1.464
  442   HE21  GLN  54          HE22      GLN  54  -9.225 -26.021   2.525
  443   HE22  GLN  54          HE21      GLN  54  -9.170 -26.875   4.045
  444    H    SER  55           H        SER  55  -2.764 -25.946   0.425
  445    HA   SER  55           HA       SER  55  -1.874 -28.654   0.767
  446    HG   SER  55           HG       SER  55  -1.887 -25.697  -1.219
  447    HB2  SER  55           HB2      SER  55  -0.145 -27.949  -0.998
  448    HB3  SER  55           HB3      SER  55  -1.858 -27.914  -1.429
  449    H    PHE  56           H        PHE  56  -0.519 -25.539   1.843
  450    HA   PHE  56           HA       PHE  56   1.939 -26.552   2.834
  451    HD1  PHE  56           HD2      PHE  56   3.880 -25.008   3.562
  452    HD2  PHE  56           HD1      PHE  56   0.548 -23.341   5.743
  453    HE1  PHE  56           HE2      PHE  56   5.432 -24.135   5.289
  454    HE2  PHE  56           HE1      PHE  56   2.109 -22.442   7.436
  455    HZ   PHE  56           HZ       PHE  56   4.556 -22.794   7.185
  456    HB2  PHE  56           HB2      PHE  56   1.539 -24.210   2.502
  457    HB3  PHE  56           HB3      PHE  56   0.196 -24.203   3.620
  458    H    VAL  57           H        VAL  57  -1.355 -26.303   4.427
  459    HA   VAL  57           HA       VAL  57  -0.507 -27.418   6.900
  460    HB   VAL  57           HB       VAL  57  -3.201 -27.544   5.494
  461   HG11  VAL  57          HG11      VAL  57  -4.176 -28.334   7.608
  462   HG12  VAL  57          HG12      VAL  57  -3.021 -29.533   7.008
  463   HG13  VAL  57          HG13      VAL  57  -2.558 -28.451   8.333
  464   HG21  VAL  57          HG23      VAL  57  -2.337 -26.041   7.998
  465   HG22  VAL  57          HG21      VAL  57  -2.397 -25.311   6.385
  466   HG23  VAL  57          HG22      VAL  57  -3.881 -25.906   7.141
  467    H    GLU  58           H        GLU  58  -1.622 -29.039   3.855
  468    HA   GLU  58           HA       GLU  58  -1.465 -31.658   4.887
  469    HB2  GLU  58           HB2      GLU  58  -1.079 -30.675   2.038
  470    HB3  GLU  58           HB3      GLU  58  -1.222 -32.369   2.483
  471    HG2  GLU  58           HG2      GLU  58  -3.363 -30.263   3.014
  472    HG3  GLU  58           HG3      GLU  58  -3.339 -31.351   1.640
  473    H    ALA  59           H        ALA  59   1.098 -29.635   3.471
  474    HA   ALA  59           HA       ALA  59   3.141 -31.638   3.622
  475    HB1  ALA  59           HB3      ALA  59   4.703 -29.800   3.380
  476    HB2  ALA  59           HB1      ALA  59   3.349 -29.581   2.256
  477    HB3  ALA  59           HB2      ALA  59   3.446 -28.608   3.745
  478    H    VAL  60           H        VAL  60   2.031 -29.127   5.966
  479    HA   VAL  60           HA       VAL  60   4.085 -29.577   7.885
  480    HB   VAL  60           HB       VAL  60   1.290 -28.394   8.060
  481   HG11  VAL  60          HG11      VAL  60   1.862 -29.227  10.317
  482   HG12  VAL  60          HG12      VAL  60   3.428 -28.405  10.224
  483   HG13  VAL  60          HG13      VAL  60   1.912 -27.470  10.253
  484   HG21  VAL  60          HG23      VAL  60   4.005 -27.030   8.307
  485   HG22  VAL  60          HG21      VAL  60   3.159 -27.165   6.771
  486   HG23  VAL  60          HG22      VAL  60   2.417 -26.269   8.098
  487    H    LYS  61           H        LYS  61   0.789 -31.104   7.552
  488    HA   LYS  61           HA       LYS  61   1.271 -32.701   9.893
  489    HB2  LYS  61           HB2      LYS  61  -0.634 -34.130   9.163
  490    HB3  LYS  61           HB3      LYS  61  -0.982 -32.430   9.418
  491    HG2  LYS  61           HG2      LYS  61  -1.221 -31.973   7.134
  492    HG3  LYS  61           HG3      LYS  61  -0.415 -33.495   6.658
  493    HD2  LYS  61           HD2      LYS  61  -2.665 -33.768   6.153
  494    HD3  LYS  61           HD3      LYS  61  -2.441 -34.707   7.629
  495    HE2  LYS  61           HE2      LYS  61  -3.681 -33.199   8.935
  496    HE3  LYS  61           HE3      LYS  61  -3.277 -31.821   7.898
  497    HZ1  LYS  61           HZ3      LYS  61  -5.581 -32.446   7.619
  498    HZ2  LYS  61           HZ1      LYS  61  -4.748 -32.658   6.218
  499    HZ3  LYS  61           HZ2      LYS  61  -5.175 -33.955   7.144
  500    H    ASN  62           H        ASN  62   2.455 -33.106   6.607
  501    HA   ASN  62           HA       ASN  62   3.165 -35.883   6.996
  502    HB2  ASN  62           HB2      ASN  62   3.107 -34.801   4.734
  503    HB3  ASN  62           HB3      ASN  62   4.520 -33.843   5.184
  504   HD21  ASN  62          HD22      ASN  62   6.624 -34.969   5.524
  505   HD22  ASN  62          HD21      ASN  62   6.833 -36.559   4.833
  506    H    GLY  63           H        GLY  63   4.714 -32.728   7.508
  507    HA2  GLY  63           HA2      GLY  63   6.417 -32.067   8.922
  508    HA3  GLY  63           HA3      GLY  63   6.492 -33.693   9.609
  509    H    SER  64           H        SER  64   8.899 -32.913   9.366
  510    HA   SER  64           HA       SER  64  10.141 -32.967   6.786
  511    HG   SER  64           HG       SER  64  12.317 -33.463  10.177
  512    HB2  SER  64           HB2      SER  64  12.202 -32.954   8.016
  513    HB3  SER  64           HB3      SER  64  11.077 -31.946   8.914
  514    HA   PRO  65           HA       PRO  65  10.823 -37.370   6.044
  515    HB2  PRO  65           HB2      PRO  65  13.780 -36.776   6.238
  516    HB3  PRO  65           HB3      PRO  65  12.905 -37.746   5.012
  517    HG2  PRO  65           HG2      PRO  65  13.667 -35.215   4.438
  518    HG3  PRO  65           HG3      PRO  65  12.024 -35.773   3.977
  519    HD2  PRO  65           HD2      PRO  65  12.850 -34.127   6.376
  520    HD3  PRO  65           HD3      PRO  65  11.469 -33.878   5.264
  521    H    PHE  66           H        PHE  66  12.049 -35.830   8.927
  522    HA   PHE  66           HA       PHE  66  12.650 -38.462  10.198
  523    HD1  PHE  66           HD1      PHE  66  15.387 -38.898  10.036
  524    HD2  PHE  66           HD2      PHE  66  14.705 -34.739   9.104
  525    HE1  PHE  66           HE1      PHE  66  17.149 -38.996   8.289
  526    HE2  PHE  66           HE2      PHE  66  16.464 -34.844   7.358
  527    HZ   PHE  66           HZ       PHE  66  17.689 -36.971   6.946
  528    HB2  PHE  66           HB2      PHE  66  13.646 -35.715  11.006
  529    HB3  PHE  66           HB3      PHE  66  14.167 -37.267  11.642
  530    H    SER  67           H        SER  67  10.276 -36.030  10.076
  531    HA   SER  67           HA       SER  67   9.633 -35.823  12.895
  532    HG   SER  67           HG       SER  67  10.059 -33.973  10.772
  533    HB2  SER  67           HB2      SER  67   8.051 -35.231  10.358
  534    HB3  SER  67           HB3      SER  67   7.588 -34.740  11.997
  535    H    LYS  68           H        LYS  68   7.603 -36.554  13.759
  536    HA   LYS  68           HA       LYS  68   5.931 -38.268  12.133
  537    HB2  LYS  68           HB2      LYS  68   7.241 -40.011  13.231
  538    HB3  LYS  68           HB3      LYS  68   6.954 -39.291  14.812
  539    HG2  LYS  68           HG2      LYS  68   5.537 -41.274  14.411
  540    HG3  LYS  68           HG3      LYS  68   4.586 -39.821  14.709
  541    HD2  LYS  68           HD2      LYS  68   4.179 -39.601  12.235
  542    HD3  LYS  68           HD3      LYS  68   5.157 -41.046  11.970
  543    HE2  LYS  68           HE2      LYS  68   2.803 -41.587  11.851
  544    HE3  LYS  68           HE3      LYS  68   3.518 -42.394  13.249
  545    HZ1  LYS  68           HZ3      LYS  68   1.324 -41.280  13.627
  546    HZ2  LYS  68           HZ1      LYS  68   2.482 -40.830  14.680
  547    HZ3  LYS  68           HZ2      LYS  68   2.053 -39.817  13.464
  548    H    VAL  69           H        VAL  69   4.508 -36.576  12.109
  549    HA   VAL  69           HA       VAL  69   3.600 -35.099  14.407
  550    HB   VAL  69           HB       VAL  69   2.377 -35.669  11.672
  551   HG11  VAL  69          HG11      VAL  69   0.560 -34.964  13.120
  552   HG12  VAL  69          HG12      VAL  69   1.535 -33.630  13.769
  553   HG13  VAL  69          HG13      VAL  69   0.993 -33.612  12.079
  554   HG21  VAL  69          HG23      VAL  69   3.166 -33.395  11.097
  555   HG22  VAL  69          HG21      VAL  69   3.893 -33.224  12.697
  556   HG23  VAL  69          HG22      VAL  69   4.524 -34.418  11.541
  557    H    THR  70           H        THR  70   1.854 -35.549  15.779
  558    HA   THR  70           HA       THR  70   0.364 -38.095  15.358
  559    HB   THR  70           HB       THR  70   0.164 -38.165  17.830
  560    HG1  THR  70           HG1      THR  70   1.238 -36.740  19.070
  561   HG21  THR  70          HG23      THR  70   2.478 -38.849  18.330
  562   HG22  THR  70          HG21      THR  70   1.996 -39.428  16.729
  563   HG23  THR  70          HG22      THR  70   3.065 -38.015  16.875
  564    H    ASP  71           H        ASP  71   0.177 -34.602  15.868
  565    HA   ASP  71           HA       ASP  71  -2.686 -34.682  15.289
  566    HB2  ASP  71           HB2      ASP  71  -2.631 -34.940  17.774
  567    HB3  ASP  71           HB3      ASP  71  -1.627 -33.493  17.894
  568    H    ILE  72           H        ILE  72  -3.494 -32.545  14.750
  569    HA   ILE  72           HA       ILE  72  -1.647 -30.331  14.549
  570    HB   ILE  72           HB       ILE  72  -1.067 -31.623  12.542
  571   HG12  ILE  72          HG12      ILE  72  -2.617 -29.112  11.791
  572   HG13  ILE  72          HG13      ILE  72  -1.019 -29.138  12.545
  573   HG21  ILE  72          HG21      ILE  72  -2.663 -32.035  10.710
  574   HG22  ILE  72          HG22      ILE  72  -3.189 -32.846  12.181
  575   HG23  ILE  72          HG23      ILE  72  -3.974 -31.336  11.663
  576   HD11  ILE  72          HD13      ILE  72  -0.726 -28.791  10.191
  577   HD12  ILE  72          HD11      ILE  72  -0.147 -30.421  10.581
  578   HD13  ILE  72          HD12      ILE  72  -1.724 -30.190   9.785
  579    H    SER  73           H        SER  73  -2.819 -28.357  14.269
  580    HA   SER  73           HA       SER  73  -5.768 -28.464  14.014
  581    HG   SER  73           HG       SER  73  -5.954 -29.264  16.434
  582    HB2  SER  73           HB2      SER  73  -4.302 -26.950  16.221
  583    HB3  SER  73           HB3      SER  73  -6.050 -27.014  15.960
  584    H    VAL  74           H        VAL  74  -6.628 -26.419  13.288
  585    HA   VAL  74           HA       VAL  74  -4.673 -24.412  12.338
  586    HB   VAL  74           HB       VAL  74  -6.885 -25.657  10.646
  587   HG11  VAL  74          HG11      VAL  74  -5.831 -24.392   8.770
  588   HG12  VAL  74          HG12      VAL  74  -6.501 -23.326   9.995
  589   HG13  VAL  74          HG13      VAL  74  -4.746 -23.600   9.933
  590   HG21  VAL  74          HG23      VAL  74  -5.069 -27.282  10.851
  591   HG22  VAL  74          HG21      VAL  74  -5.077 -26.588   9.234
  592   HG23  VAL  74          HG22      VAL  74  -3.874 -26.036  10.419
  593    H    THR  75           H        THR  75  -5.516 -22.343  12.276
  594    HA   THR  75           HA       THR  75  -8.391 -21.864  12.654
  595    HB   THR  75           HB       THR  75  -6.349 -20.187  14.153
  596    HG1  THR  75           HG1      THR  75  -6.213 -22.291  14.987
  597   HG21  THR  75          HG23      THR  75  -8.552 -19.156  13.894
  598   HG22  THR  75          HG21      THR  75  -9.348 -20.615  14.529
  599   HG23  THR  75          HG22      THR  75  -8.316 -19.619  15.580
  600    H    GLU  76           H        GLU  76  -8.846 -19.569  11.723
  601    HA   GLU  76           HA       GLU  76  -6.680 -18.561  10.019
  602    HB2  GLU  76           HB2      GLU  76  -7.736 -18.963   7.995
  603    HB3  GLU  76           HB3      GLU  76  -7.891 -20.484   8.850
  604    HG2  GLU  76           HG2      GLU  76  -9.972 -18.386   8.250
  605    HG3  GLU  76           HG3      GLU  76  -9.901 -20.042   7.660
  606    H    SER  77           H        SER  77  -7.257 -16.557   8.910
  607    HA   SER  77           HA       SER  77  -9.428 -14.970  10.154
  608    HG   SER  77           HG       SER  77  -6.567 -14.295  12.304
  609    HB2  SER  77           HB2      SER  77  -6.490 -14.145  10.088
  610    HB3  SER  77           HB3      SER  77  -7.836 -13.164  10.670
  611    H    ARG  78           H        ARG  78 -10.226 -13.461   8.776
  612    HA   ARG  78           HA       ARG  78  -9.432 -13.388   5.967
  613    HE   ARG  78           HE       ARG  78 -13.058 -13.667   8.443
  614    HB2  ARG  78           HB2      ARG  78 -11.446 -11.953   7.722
  615    HB3  ARG  78           HB3      ARG  78 -11.057 -11.311   6.129
  616    HG2  ARG  78           HG2      ARG  78 -13.087 -12.686   6.101
  617    HG3  ARG  78           HG3      ARG  78 -11.828 -13.286   5.026
  618    HD2  ARG  78           HD2      ARG  78 -12.922 -15.139   6.130
  619    HD3  ARG  78           HD3      ARG  78 -11.228 -15.019   6.630
  620   HH11  ARG  78          HH11      ARG  78 -11.864 -16.888   7.582
  621   HH12  ARG  78          HH12      ARG  78 -11.982 -17.546   9.184
  622   HH21  ARG  78          HH21      ARG  78 -13.246 -14.538  10.596
  623   HH22  ARG  78          HH22      ARG  78 -12.813 -16.179  10.904
  624    H    SER  79           H        SER  79  -9.010 -11.270   8.846
  625    HA   SER  79           HA       SER  79  -7.450  -9.265   7.564
  626    HG   SER  79           HG       SER  79  -9.004  -8.618  10.766
  627    HB2  SER  79           HB2      SER  79  -7.361 -10.208  10.462
  628    HB3  SER  79           HB3      SER  79  -6.909  -8.613   9.835
  629    H    LEU  80           H        LEU  80  -5.200  -9.060   7.514
  630    HA   LEU  80           HA       LEU  80  -3.458 -11.194   8.444
  631    HG   LEU  80           HG       LEU  80  -2.602  -9.519   5.196
  632    HB2  LEU  80           HB2      LEU  80  -2.462 -11.718   6.418
  633    HB3  LEU  80           HB3      LEU  80  -4.171 -11.964   6.162
  634   HD11  LEU  80          HD11      LEU  80  -1.735 -11.561   4.189
  635   HD12  LEU  80          HD12      LEU  80  -3.376 -12.071   3.746
  636   HD13  LEU  80          HD13      LEU  80  -2.637 -10.628   2.993
  637   HD21  LEU  80          HD23      LEU  80  -4.992  -9.014   5.292
  638   HD22  LEU  80          HD21      LEU  80  -4.525  -9.256   3.612
  639   HD23  LEU  80          HD22      LEU  80  -5.387 -10.547   4.482
  640    H    GLU  81           H        GLU  81  -1.269 -10.481   8.579
  641    HA   GLU  81           HA       GLU  81  -0.747  -7.575   8.230
  642    HB2  GLU  81           HB2      GLU  81  -0.944  -8.993  10.927
  643    HB3  GLU  81           HB3      GLU  81  -0.239  -7.404  10.718
  644    HG2  GLU  81           HG2      GLU  81  -3.154  -8.137  10.263
  645    HG3  GLU  81           HG3      GLU  81  -2.480  -7.279  11.632
  646    H    GLY  82           H        GLY  82   0.458 -10.796   8.306
  647    HA2  GLY  82           HA2      GLY  82   2.970 -10.108   9.706
  648    HA3  GLY  82           HA3      GLY  82   2.318 -11.707   9.342
  649    H    HIS  83           H        HIS  83   1.856 -10.816   6.443
  650    HA   HIS  83           HA       HIS  83   4.036 -12.018   5.336
  651    HD1  HIS  83           HD1      HIS  83   0.156 -10.341   5.317
  652    HD2  HIS  83           HD2      HIS  83   2.740  -8.493   2.554
  653    HE1  HIS  83           HE1      HIS  83  -0.904  -8.068   4.728
  654    HB2  HIS  83           HB2      HIS  83   3.240 -11.069   3.150
  655    HB3  HIS  83           HB3      HIS  83   2.029 -11.901   4.114
  656    H    HIS  84           H        HIS  84   6.099 -11.520   5.380
  657    HA   HIS  84           HA       HIS  84   7.047  -8.994   4.193
  658    HD1  HIS  84           HD1      HIS  84   5.649  -9.361   8.080
  659    HD2  HIS  84           HD2      HIS  84   7.714  -6.282   6.084
  660    HE1  HIS  84           HE1      HIS  84   4.617  -7.169   8.883
  661    HB2  HIS  84           HB2      HIS  84   8.050 -10.003   6.901
  662    HB3  HIS  84           HB3      HIS  84   8.790  -8.727   5.947
  663    H    ARG  85           H        ARG  85   7.941 -12.099   5.750
  664    HA   ARG  85           HA       ARG  85   9.153 -13.180   3.366
  665    HE   ARG  85           HE       ARG  85  12.040 -13.116   8.555
  666    HB2  ARG  85           HB2      ARG  85  11.320 -13.696   4.361
  667    HB3  ARG  85           HB3      ARG  85  11.099 -11.953   4.311
  668    HG2  ARG  85           HG2      ARG  85  10.549 -11.919   6.726
  669    HG3  ARG  85           HG3      ARG  85  10.682 -13.683   6.794
  670    HD2  ARG  85           HD2      ARG  85  13.075 -13.473   6.023
  671    HD3  ARG  85           HD3      ARG  85  12.911 -11.709   6.196
  672   HH11  ARG  85          HH21      ARG  85  15.031 -12.121   6.912
  673   HH12  ARG  85          HH22      ARG  85  15.974 -12.077   8.355
  674   HH21  ARG  85          HH11      ARG  85  13.262 -13.021  10.460
  675   HH22  ARG  85          HH12      ARG  85  14.939 -12.618  10.433
  676    H    PHE  86           H        PHE  86  10.242 -15.516   4.767
  677    HA   PHE  86           HA       PHE  86   8.033 -16.251   6.607
  678    HD1  PHE  86           HD2      PHE  86   9.513 -19.688   7.008
  679    HD2  PHE  86           HD1      PHE  86   5.842 -18.008   5.499
  680    HE1  PHE  86           HE2      PHE  86   8.212 -21.192   8.474
  681    HE2  PHE  86           HE1      PHE  86   4.546 -19.462   7.029
  682    HZ   PHE  86           HZ       PHE  86   5.731 -21.059   8.517
  683    HB2  PHE  86           HB2      PHE  86   7.937 -17.490   4.427
  684    HB3  PHE  86           HB3      PHE  86   9.456 -18.257   4.884
  685    H    SER  87           H        SER  87   9.003 -15.737   8.531
  686    HA   SER  87           HA       SER  87  11.876 -16.151   8.895
  687    HG   SER  87           HG       SER  87  10.254 -13.163  10.168
  688    HB2  SER  87           HB2      SER  87   9.729 -15.178  10.820
  689    HB3  SER  87           HB3      SER  87  11.476 -15.050  11.052
  690    H    ILE  88           H        ILE  88  12.826 -17.745  10.101
  691    HA   ILE  88           HA       ILE  88  11.151 -19.573  11.751
  692    HB   ILE  88           HB       ILE  88  14.135 -19.469  11.161
  693   HG12  ILE  88          HG12      ILE  88  12.134 -21.689  10.506
  694   HG13  ILE  88          HG13      ILE  88  12.409 -20.358   9.395
  695   HG21  ILE  88          HG21      ILE  88  14.232 -21.630  12.461
  696   HG22  ILE  88          HG22      ILE  88  13.844 -20.236  13.463
  697   HG23  ILE  88          HG23      ILE  88  12.550 -21.345  12.975
  698   HD11  ILE  88          HD13      ILE  88  13.762 -22.189   8.703
  699   HD12  ILE  88          HD11      ILE  88  14.806 -20.882   9.291
  700   HD13  ILE  88          HD12      ILE  88  14.526 -22.330  10.301
  701    H    VAL  89           H        VAL  89  10.977 -19.212  13.933
  702    HA   VAL  89           HA       VAL  89  12.272 -16.799  15.101
  703    HB   VAL  89           HB       VAL  89   9.339 -17.656  15.075
  704   HG11  VAL  89          HG11      VAL  89   8.859 -15.611  16.389
  705   HG12  VAL  89          HG12      VAL  89   9.790 -16.785  17.313
  706   HG13  VAL  89          HG13      VAL  89  10.599 -15.351  16.622
  707   HG21  VAL  89          HG23      VAL  89  10.019 -16.447  13.043
  708   HG22  VAL  89          HG21      VAL  89   8.966 -15.437  14.032
  709   HG23  VAL  89          HG22      VAL  89  10.718 -15.144  14.026
  710    H    TYR  90           H        TYR  90  12.485 -16.878  17.376
  711    HA   TYR  90           HA       TYR  90  12.507 -19.621  18.557
  712    HD1  TYR  90           HD1      TYR  90  14.916 -17.102  16.326
  713    HD2  TYR  90           HD2      TYR  90  15.335 -20.997  18.132
  714    HE1  TYR  90           HE1      TYR  90  16.019 -17.927  14.271
  715    HE2  TYR  90           HE2      TYR  90  16.475 -21.824  16.088
  716    HH   TYR  90           HH       TYR  90  17.222 -21.300  13.946
  717    HB2  TYR  90           HB2      TYR  90  14.633 -17.457  18.789
  718    HB3  TYR  90           HB3      TYR  90  14.701 -19.067  19.477
  719    H    SER  91           H        SER  91  11.605 -16.283  18.977
  720    HA   SER  91           HA       SER  91  11.800 -15.972  21.765
  721    HG   SER  91           HG       SER  91  11.315 -13.126  19.596
  722    HB2  SER  91           HB2      SER  91   9.701 -14.780  19.909
  723    HB3  SER  91           HB3      SER  91  10.313 -14.106  21.426
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -6.443 -13.029  -1.360
    2    H2   MET   1           H2       MET   1  -7.316 -14.195  -0.606
    3    H3   MET   1           H3       MET   1  -7.425 -12.647  -0.098
    4    HA   MET   1           HA       MET   1  -5.036 -14.350   0.080
    5    HB2  MET   1           HB2      MET   1  -4.671 -11.817  -0.284
    6    HB3  MET   1           HB3      MET   1  -5.393 -11.605   1.317
    7    HG2  MET   1           HG2      MET   1  -3.027 -11.554   1.507
    8    HG3  MET   1           HG3      MET   1  -3.564 -13.054   2.257
    9    HE1  MET   1           HE3      MET   1  -0.658 -11.906   1.027
   10    HE2  MET   1           HE1      MET   1  -0.820 -13.303   2.112
   11    HE3  MET   1           HE2      MET   1   0.063 -13.469   0.575
   12    H    LEU   2           H        LEU   2  -4.652 -15.270   2.110
   13    HA   LEU   2           HA       LEU   2  -6.737 -15.027   4.231
   14    HG   LEU   2           HG       LEU   2  -7.800 -18.524   3.298
   15    HB2  LEU   2           HB2      LEU   2  -5.745 -17.453   2.716
   16    HB3  LEU   2           HB3      LEU   2  -5.918 -17.621   4.442
   17   HD11  LEU   2          HD11      LEU   2  -9.576 -17.528   4.610
   18   HD12  LEU   2          HD12      LEU   2  -8.088 -17.566   5.569
   19   HD13  LEU   2          HD13      LEU   2  -8.635 -16.041   4.842
   20   HD21  LEU   2          HD23      LEU   2  -8.608 -15.749   2.376
   21   HD22  LEU   2          HD21      LEU   2  -7.806 -16.951   1.332
   22   HD23  LEU   2          HD22      LEU   2  -9.393 -17.299   2.031
   23    H    GLN   3           H        GLN   3  -5.927 -15.639   6.301
   24    HA   GLN   3           HA       GLN   3  -2.988 -15.991   6.594
   25    HB2  GLN   3           HB2      GLN   3  -3.773 -13.788   7.537
   26    HB3  GLN   3           HB3      GLN   3  -4.943 -14.654   8.516
   27    HG2  GLN   3           HG2      GLN   3  -3.143 -15.798   9.740
   28    HG3  GLN   3           HG3      GLN   3  -1.927 -15.039   8.720
   29   HE21  GLN   3          HE22      GLN   3  -1.862 -12.509   8.776
   30   HE22  GLN   3          HE21      GLN   3  -2.236 -11.803  10.334
   31    H    TYR   4           H        TYR   4  -2.491 -17.818   7.819
   32    HA   TYR   4           HA       TYR   4  -4.682 -19.388   9.099
   33    HD1  TYR   4           HD1      TYR   4  -5.337 -19.307   6.450
   34    HD2  TYR   4           HD2      TYR   4  -3.664 -23.177   7.363
   35    HE1  TYR   4           HE1      TYR   4  -7.052 -20.364   5.048
   36    HE2  TYR   4           HE2      TYR   4  -5.379 -24.246   5.941
   37    HH   TYR   4           HH       TYR   4  -7.230 -23.925   4.606
   38    HB2  TYR   4           HB2      TYR   4  -2.419 -20.325   7.295
   39    HB3  TYR   4           HB3      TYR   4  -2.979 -21.325   8.605
   40    H    ARG   5           H        ARG   5  -3.975 -20.475  11.004
   41    HA   ARG   5           HA       ARG   5  -1.170 -20.129  11.848
   42    HE   ARG   5           HE       ARG   5   0.222 -18.706  16.248
   43    HB2  ARG   5           HB2      ARG   5  -2.748 -18.545  13.184
   44    HB3  ARG   5           HB3      ARG   5  -3.437 -20.022  13.873
   45    HG2  ARG   5           HG2      ARG   5  -1.023 -20.635  14.597
   46    HG3  ARG   5           HG3      ARG   5  -0.567 -19.004  14.063
   47    HD2  ARG   5           HD2      ARG   5  -2.516 -18.224  15.637
   48    HD3  ARG   5           HD3      ARG   5  -2.383 -19.860  16.331
   49   HH11  ARG   5          HH11      ARG   5  -2.858 -18.059  17.922
   50   HH12  ARG   5          HH12      ARG   5  -2.101 -17.307  19.276
   51   HH21  ARG   5          HH21      ARG   5   1.194 -17.836  18.004
   52   HH22  ARG   5          HH22      ARG   5   0.291 -17.143  19.333
   53    H    ILE   6           H        ILE   6  -0.391 -22.094  12.687
   54    HA   ILE   6           HA       ILE   6  -2.248 -24.411  12.644
   55    HB   ILE   6           HB       ILE   6   0.435 -24.296  11.229
   56   HG12  ILE   6          HG12      ILE   6  -2.216 -24.464   9.757
   57   HG13  ILE   6          HG13      ILE   6  -1.431 -22.919  10.043
   58   HG21  ILE   6          HG21      ILE   6  -1.711 -26.445  11.282
   59   HG22  ILE   6          HG22      ILE   6  -0.258 -26.494  10.269
   60   HG23  ILE   6          HG23      ILE   6  -0.109 -26.524  12.023
   61   HD11  ILE   6          HD13      ILE   6   0.594 -23.636   8.872
   62   HD12  ILE   6          HD11      ILE   6  -0.194 -25.169   8.445
   63   HD13  ILE   6          HD12      ILE   6  -0.857 -23.630   7.853
   64    H    ILE   7           H        ILE   7  -1.665 -25.904  14.235
   65    HA   ILE   7           HA       ILE   7   0.833 -25.416  15.777
   66    HB   ILE   7           HB       ILE   7  -1.891 -26.069  16.963
   67   HG12  ILE   7          HG12      ILE   7  -1.915 -23.693  16.251
   68   HG13  ILE   7          HG13      ILE   7  -2.008 -23.896  17.982
   69   HG21  ILE   7          HG21      ILE   7  -0.095 -27.057  18.251
   70   HG22  ILE   7          HG22      ILE   7   0.812 -25.537  18.270
   71   HG23  ILE   7          HG23      ILE   7  -0.728 -25.665  19.148
   72   HD11  ILE   7          HD13      ILE   7   0.327 -23.215  18.255
   73   HD12  ILE   7          HD11      ILE   7   0.532 -23.137  16.495
   74   HD13  ILE   7          HD12      ILE   7  -0.559 -22.009  17.305
   75    H    VAL   8           H        VAL   8   1.877 -27.379  16.264
   76    HA   VAL   8           HA       VAL   8   0.595 -29.874  15.253
   77    HB   VAL   8           HB       VAL   8   3.492 -29.378  14.645
   78   HG11  VAL   8          HG11      VAL   8   2.978 -30.756  12.687
   79   HG12  VAL   8          HG12      VAL   8   2.344 -31.532  14.145
   80   HG13  VAL   8          HG13      VAL   8   1.242 -30.681  13.051
   81   HG21  VAL   8          HG23      VAL   8   3.068 -28.325  12.486
   82   HG22  VAL   8          HG21      VAL   8   1.342 -28.150  12.880
   83   HG23  VAL   8          HG22      VAL   8   2.586 -27.253  13.790
   84    H    ASP   9           H        ASP   9   1.357 -31.791  16.273
   85    HA   ASP   9           HA       ASP   9   3.299 -31.533  18.491
   86    HB2  ASP   9           HB2      ASP   9   0.841 -31.064  19.142
   87    HB3  ASP   9           HB3      ASP   9   0.545 -32.761  18.795
   88    H    GLY  10           H        GLY  10   3.903 -33.688  19.298
   89    HA2  GLY  10           HA2      GLY  10   3.805 -36.164  18.863
   90    HA3  GLY  10           HA3      GLY  10   3.863 -35.762  17.141
   91    H    ARG  11           H        ARG  11   5.865 -36.979  16.986
   92    HA   ARG  11           HA       ARG  11   8.285 -35.639  18.050
   93    HE   ARG  11           HE       ARG  11  12.408 -35.298  16.862
   94    HB2  ARG  11           HB2      ARG  11   8.475 -38.054  17.616
   95    HB3  ARG  11           HB3      ARG  11   7.971 -37.821  15.945
   96    HG2  ARG  11           HG2      ARG  11  10.365 -38.112  16.013
   97    HG3  ARG  11           HG3      ARG  11  10.012 -36.469  15.502
   98    HD2  ARG  11           HD2      ARG  11  10.445 -35.694  17.874
   99    HD3  ARG  11           HD3      ARG  11  10.924 -37.340  18.287
  100   HH11  ARG  11          HH21      ARG  11  12.201 -38.801  17.434
  101   HH12  ARG  11          HH22      ARG  11  13.794 -39.138  16.871
  102   HH21  ARG  11          HH11      ARG  11  14.532 -35.773  15.991
  103   HH22  ARG  11          HH12      ARG  11  15.147 -37.379  16.090
  104    H    VAL  12           H        VAL  12   7.754 -33.521  17.422
  105    HA   VAL  12           HA       VAL  12   7.940 -32.984  14.493
  106    HB   VAL  12           HB       VAL  12   6.345 -31.138  14.805
  107   HG11  VAL  12          HG11      VAL  12   4.329 -32.460  14.933
  108   HG12  VAL  12          HG12      VAL  12   5.582 -33.378  14.072
  109   HG13  VAL  12          HG13      VAL  12   5.168 -33.784  15.748
  110   HG21  VAL  12          HG23      VAL  12   5.790 -32.222  17.605
  111   HG22  VAL  12          HG21      VAL  12   6.673 -30.725  17.264
  112   HG23  VAL  12          HG22      VAL  12   4.983 -30.875  16.782
  113    H    GLN  13           H        GLN  13   9.969 -33.049  16.786
  114    HA   GLN  13           HA       GLN  13  11.184 -30.432  16.238
  115    HB2  GLN  13           HB2      GLN  13  10.803 -31.573  19.050
  116    HB3  GLN  13           HB3      GLN  13  11.815 -30.196  18.610
  117    HG2  GLN  13           HG2      GLN  13   9.694 -29.066  17.735
  118    HG3  GLN  13           HG3      GLN  13   8.779 -30.354  18.525
  119   HE21  GLN  13          HE22      GLN  13   8.269 -27.746  19.358
  120   HE22  GLN  13          HE21      GLN  13   9.092 -27.367  20.842
  121    H    GLY  14           H        GLY  14  13.427 -30.579  16.314
  122    HA2  GLY  14           HA2      GLY  14  15.524 -31.537  16.468
  123    HA3  GLY  14           HA3      GLY  14  14.864 -32.910  17.387
  124    H    VAL  15           H        VAL  15  13.672 -31.607  14.303
  125    HA   VAL  15           HA       VAL  15  14.697 -33.954  12.792
  126    HB   VAL  15           HB       VAL  15  12.485 -34.284  11.732
  127   HG11  VAL  15          HG11      VAL  15  11.463 -35.576  13.487
  128   HG12  VAL  15          HG12      VAL  15  13.221 -35.713  13.646
  129   HG13  VAL  15          HG13      VAL  15  12.305 -34.652  14.739
  130   HG21  VAL  15          HG23      VAL  15  11.390 -32.155  12.123
  131   HG22  VAL  15          HG21      VAL  15  10.433 -33.458  12.834
  132   HG23  VAL  15          HG22      VAL  15  11.408 -32.414  13.883
  133    H    GLY  16           H        GLY  16  14.243 -30.566  12.997
  134    HA2  GLY  16           HA2      GLY  16  15.179 -29.031  11.528
  135    HA3  GLY  16           HA3      GLY  16  15.108 -30.195  10.185
  136    H    PHE  17           H        PHE  17  12.477 -29.619  12.573
  137    HA   PHE  17           HA       PHE  17  10.530 -29.645  10.446
  138    HD1  PHE  17           HD1      PHE  17   7.922 -27.653  11.782
  139    HD2  PHE  17           HD2      PHE  17   8.740 -31.855  12.297
  140    HE1  PHE  17           HE1      PHE  17   5.578 -28.192  11.166
  141    HE2  PHE  17           HE2      PHE  17   6.396 -32.384  11.715
  142    HZ   PHE  17           HZ       PHE  17   4.810 -30.562  11.123
  143    HB2  PHE  17           HB2      PHE  17  10.334 -30.251  13.012
  144    HB3  PHE  17           HB3      PHE  17   9.925 -28.560  13.192
  145    H    ARG  18           H        ARG  18  12.059 -27.006  12.392
  146    HA   ARG  18           HA       ARG  18  10.475 -24.873  11.310
  147    HE   ARG  18           HE       ARG  18  13.466 -25.934  14.594
  148    HB2  ARG  18           HB2      ARG  18  13.347 -25.005  12.313
  149    HB3  ARG  18           HB3      ARG  18  12.578 -23.497  11.834
  150    HG2  ARG  18           HG2      ARG  18  10.956 -23.586  13.564
  151    HG3  ARG  18           HG3      ARG  18  11.283 -25.281  13.937
  152    HD2  ARG  18           HD2      ARG  18  13.329 -23.057  14.310
  153    HD3  ARG  18           HD3      ARG  18  12.238 -23.622  15.582
  154   HH11  ARG  18          HH21      ARG  18  14.551 -22.934  16.204
  155   HH12  ARG  18          HH22      ARG  18  15.927 -23.679  16.939
  156   HH21  ARG  18          HH11      ARG  18  15.246 -26.893  15.531
  157   HH22  ARG  18          HH12      ARG  18  16.366 -25.980  16.527
  158    H    TYR  19           H        TYR  19  13.461 -26.429  10.034
  159    HA   TYR  19           HA       TYR  19  13.735 -24.572   7.858
  160    HD1  TYR  19           HD2      TYR  19  16.374 -24.081   7.279
  161    HD2  TYR  19           HD1      TYR  19  15.898 -26.801  10.599
  162    HE1  TYR  19           HE2      TYR  19  18.023 -22.775   8.577
  163    HE2  TYR  19           HE1      TYR  19  17.545 -25.498  11.907
  164    HH   TYR  19           HH       TYR  19  19.174 -22.570  10.596
  165    HB2  TYR  19           HB2      TYR  19  14.906 -27.323   8.431
  166    HB3  TYR  19           HB3      TYR  19  15.302 -26.371   7.018
  167    H    PHE  20           H        PHE  20  12.298 -27.871   8.153
  168    HA   PHE  20           HA       PHE  20  11.524 -28.185   5.461
  169    HD1  PHE  20           HD1      PHE  20  10.531 -30.812   4.746
  170    HD2  PHE  20           HD2      PHE  20   7.894 -29.096   7.699
  171    HE1  PHE  20           HE1      PHE  20   8.572 -31.778   3.567
  172    HE2  PHE  20           HE2      PHE  20   5.939 -30.044   6.499
  173    HZ   PHE  20           HZ       PHE  20   6.276 -31.403   4.447
  174    HB2  PHE  20           HB2      PHE  20  11.363 -30.008   7.007
  175    HB3  PHE  20           HB3      PHE  20  10.274 -29.123   8.067
  176    H    VAL  21           H        VAL  21   9.691 -26.622   8.175
  177    HA   VAL  21           HA       VAL  21   7.486 -25.875   6.540
  178    HB   VAL  21           HB       VAL  21   8.544 -24.808   9.181
  179   HG11  VAL  21          HG11      VAL  21   7.149 -23.051   8.171
  180   HG12  VAL  21          HG12      VAL  21   5.874 -24.241   7.828
  181   HG13  VAL  21          HG13      VAL  21   6.288 -23.829   9.504
  182   HG21  VAL  21          HG23      VAL  21   7.698 -27.183   9.180
  183   HG22  VAL  21          HG21      VAL  21   6.666 -26.109  10.126
  184   HG23  VAL  21          HG22      VAL  21   6.174 -26.617   8.496
  185    H    GLN  22           H        GLN  22  10.571 -24.115   7.277
  186    HA   GLN  22           HA       GLN  22   9.902 -21.701   5.903
  187    HB2  GLN  22           HB2      GLN  22  11.795 -21.862   7.401
  188    HB3  GLN  22           HB3      GLN  22  12.569 -23.047   6.347
  189    HG2  GLN  22           HG2      GLN  22  13.614 -20.944   5.943
  190    HG3  GLN  22           HG3      GLN  22  12.647 -21.359   4.532
  191   HE21  GLN  22          HE22      GLN  22  13.024 -19.030   7.181
  192   HE22  GLN  22          HE21      GLN  22  11.839 -17.895   6.545
  193    H    MET  23           H        MET  23  11.363 -24.781   4.650
  194    HA   MET  23           HA       MET  23  11.597 -23.736   1.976
  195    HB2  MET  23           HB2      MET  23  11.442 -26.601   3.026
  196    HB3  MET  23           HB3      MET  23  11.804 -26.180   1.346
  197    HG2  MET  23           HG2      MET  23  13.810 -24.979   2.008
  198    HG3  MET  23           HG3      MET  23  13.445 -25.209   3.715
  199    HE1  MET  23           HE3      MET  23  15.766 -26.133   4.322
  200    HE2  MET  23           HE1      MET  23  16.610 -27.402   3.406
  201    HE3  MET  23           HE2      MET  23  16.279 -25.830   2.646
  202    H    GLU  24           H        GLU  24   8.976 -25.571   3.629
  203    HA   GLU  24           HA       GLU  24   7.390 -25.805   1.254
  204    HB2  GLU  24           HB2      GLU  24   6.862 -26.110   4.244
  205    HB3  GLU  24           HB3      GLU  24   5.554 -26.241   3.083
  206    HG2  GLU  24           HG2      GLU  24   8.043 -27.992   3.096
  207    HG3  GLU  24           HG3      GLU  24   6.434 -28.449   3.663
  208    H    ALA  25           H        ALA  25   7.720 -23.215   3.619
  209    HA   ALA  25           HA       ALA  25   5.481 -21.685   2.555
  210    HB1  ALA  25           HB3      ALA  25   6.271 -21.264   4.837
  211    HB2  ALA  25           HB1      ALA  25   7.916 -20.940   4.251
  212    HB3  ALA  25           HB2      ALA  25   6.608 -19.829   3.846
  213    H    ASP  26           H        ASP  26   8.999 -21.942   1.992
  214    HA   ASP  26           HA       ASP  26   9.329 -19.632   0.443
  215    HB2  ASP  26           HB2      ASP  26  11.213 -20.934   1.445
  216    HB3  ASP  26           HB3      ASP  26  10.906 -22.236   0.308
  217    H    LYS  27           H        LYS  27   8.732 -23.063  -0.640
  218    HA   LYS  27           HA       LYS  27   8.841 -22.168  -3.359
  219    HB2  LYS  27           HB2      LYS  27   8.790 -24.228  -4.060
  220    HB3  LYS  27           HB3      LYS  27   9.235 -24.575  -2.410
  221    HG2  LYS  27           HG2      LYS  27   6.430 -24.845  -3.605
  222    HG3  LYS  27           HG3      LYS  27   7.616 -26.126  -3.438
  223    HD2  LYS  27           HD2      LYS  27   7.570 -25.761  -0.926
  224    HD3  LYS  27           HD3      LYS  27   6.206 -24.654  -1.180
  225    HE2  LYS  27           HE2      LYS  27   5.199 -26.759  -0.705
  226    HE3  LYS  27           HE3      LYS  27   5.042 -26.554  -2.450
  227    HZ1  LYS  27           HZ3      LYS  27   7.079 -28.023  -2.594
  228    HZ2  LYS  27           HZ1      LYS  27   6.948 -28.267  -0.959
  229    HZ3  LYS  27           HZ2      LYS  27   5.765 -28.758  -1.961
  230    H    ARG  28           H        ARG  28   6.384 -21.748  -1.116
  231    HA   ARG  28           HA       ARG  28   4.284 -21.291  -3.185
  232    HE   ARG  28           HE       ARG  28   1.140 -24.985  -0.747
  233    HB2  ARG  28           HB2      ARG  28   4.347 -21.618  -0.169
  234    HB3  ARG  28           HB3      ARG  28   2.932 -20.945  -0.987
  235    HG2  ARG  28           HG2      ARG  28   2.572 -22.998  -2.219
  236    HG3  ARG  28           HG3      ARG  28   4.097 -23.683  -1.615
  237    HD2  ARG  28           HD2      ARG  28   3.253 -23.489   0.714
  238    HD3  ARG  28           HD3      ARG  28   1.714 -22.874   0.113
  239   HH11  ARG  28          HH21      ARG  28   4.230 -25.082   1.038
  240   HH12  ARG  28          HH22      ARG  28   4.270 -26.830   1.086
  241   HH21  ARG  28          HH11      ARG  28   1.337 -27.193  -0.867
  242   HH22  ARG  28          HH12      ARG  28   2.583 -28.058   0.000
  243    H    LYS  29           H        LYS  29   6.813 -19.599  -1.722
  244    HA   LYS  29           HA       LYS  29   7.214 -17.544  -0.962
  245    HB2  LYS  29           HB2      LYS  29   5.392 -16.724  -3.253
  246    HB3  LYS  29           HB3      LYS  29   6.554 -15.682  -2.422
  247    HG2  LYS  29           HG2      LYS  29   8.400 -17.242  -3.100
  248    HG3  LYS  29           HG3      LYS  29   7.243 -18.155  -4.072
  249    HD2  LYS  29           HD2      LYS  29   7.974 -15.216  -4.418
  250    HD3  LYS  29           HD3      LYS  29   8.570 -16.533  -5.415
  251    HE2  LYS  29           HE2      LYS  29   5.639 -15.696  -5.190
  252    HE3  LYS  29           HE3      LYS  29   6.741 -15.185  -6.465
  253    HZ1  LYS  29           HZ3      LYS  29   6.971 -17.502  -7.134
  254    HZ2  LYS  29           HZ1      LYS  29   5.927 -17.990  -5.970
  255    HZ3  LYS  29           HZ2      LYS  29   5.412 -17.041  -7.187
  256    H    LEU  30           H        LEU  30   5.403 -18.752   0.699
  257    HA   LEU  30           HA       LEU  30   3.219 -16.950   1.402
  258    HG   LEU  30           HG       LEU  30   3.646 -20.187   1.258
  259    HB2  LEU  30           HB2      LEU  30   4.700 -18.998   3.099
  260    HB3  LEU  30           HB3      LEU  30   3.185 -18.217   3.496
  261   HD11  LEU  30          HD11      LEU  30   1.983 -20.507   3.774
  262   HD12  LEU  30          HD12      LEU  30   2.290 -21.733   2.535
  263   HD13  LEU  30          HD13      LEU  30   3.608 -21.157   3.567
  264   HD21  LEU  30          HD23      LEU  30   1.163 -20.181   0.969
  265   HD22  LEU  30          HD21      LEU  30   1.068 -18.815   2.100
  266   HD23  LEU  30          HD22      LEU  30   1.900 -18.633   0.538
  267    H    ALA  31           H        ALA  31   3.297 -15.856   3.583
  268    HA   ALA  31           HA       ALA  31   5.992 -15.049   4.511
  269    HB1  ALA  31           HB3      ALA  31   5.238 -12.762   4.868
  270    HB2  ALA  31           HB1      ALA  31   5.048 -13.160   3.158
  271    HB3  ALA  31           HB2      ALA  31   3.625 -13.143   4.229
  272    H    GLY  32           H        GLY  32   5.900 -14.536   6.928
  273    HA2  GLY  32           HA2      GLY  32   3.958 -14.809   8.760
  274    HA3  GLY  32           HA3      GLY  32   3.984 -16.436   8.090
  275    H    TRP  33           H        TRP  33   4.659 -17.360  10.101
  276    HA   TRP  33           HA       TRP  33   7.507 -17.269  10.415
  277    HD1  TRP  33           HD1      TRP  33   5.028 -18.668  13.511
  278    HE1  TRP  33           HE1      TRP  33   3.292 -17.825  15.205
  279    HE3  TRP  33           HE3      TRP  33   5.947 -13.634  13.181
  280    HZ2  TRP  33           HZ2      TRP  33   2.479 -15.322  16.326
  281    HZ3  TRP  33           HZ3      TRP  33   4.688 -12.047  14.606
  282    HH2  TRP  33           HH2      TRP  33   2.952 -12.875  16.185
  283    HB2  TRP  33           HB2      TRP  33   7.542 -16.977  12.825
  284    HB3  TRP  33           HB3      TRP  33   6.925 -15.566  12.013
  285    H    VAL  34           H        VAL  34   8.349 -19.006  11.820
  286    HA   VAL  34           HA       VAL  34   6.391 -21.026  12.706
  287    HB   VAL  34           HB       VAL  34   7.235 -21.910  10.601
  288   HG11  VAL  34          HG11      VAL  34   9.435 -20.734  10.469
  289   HG12  VAL  34          HG12      VAL  34  10.058 -21.805  11.738
  290   HG13  VAL  34          HG13      VAL  34   9.558 -22.473  10.173
  291   HG21  VAL  34          HG23      VAL  34   8.536 -23.420  12.907
  292   HG22  VAL  34          HG21      VAL  34   6.819 -23.489  12.479
  293   HG23  VAL  34          HG22      VAL  34   8.035 -24.081  11.344
  294    H    LYS  35           H        LYS  35   7.012 -21.951  14.744
  295    HA   LYS  35           HA       LYS  35   9.765 -21.524  15.572
  296    HB2  LYS  35           HB2      LYS  35   9.347 -20.658  17.766
  297    HB3  LYS  35           HB3      LYS  35   8.834 -19.522  16.555
  298    HG2  LYS  35           HG2      LYS  35   6.829 -21.366  17.914
  299    HG3  LYS  35           HG3      LYS  35   7.413 -19.935  18.719
  300    HD2  LYS  35           HD2      LYS  35   5.975 -19.941  16.040
  301    HD3  LYS  35           HD3      LYS  35   5.245 -19.597  17.603
  302    HE2  LYS  35           HE2      LYS  35   7.474 -17.931  16.356
  303    HE3  LYS  35           HE3      LYS  35   5.756 -17.562  16.249
  304    HZ1  LYS  35           HZ3      LYS  35   7.355 -17.627  18.749
  305    HZ2  LYS  35           HZ1      LYS  35   6.695 -16.319  18.032
  306    HZ3  LYS  35           HZ2      LYS  35   5.719 -17.440  18.702
  307    H    ASN  36           H        ASN  36  10.520 -22.970  16.926
  308    HA   ASN  36           HA       ASN  36   9.061 -25.441  17.630
  309    HB2  ASN  36           HB2      ASN  36  11.372 -25.642  16.886
  310    HB3  ASN  36           HB3      ASN  36  11.908 -24.373  17.985
  311   HD21  ASN  36          HD22      ASN  36  12.412 -27.569  17.586
  312   HD22  ASN  36          HD21      ASN  36  12.396 -28.035  19.277
  313    H    ARG  37           H        ARG  37   7.655 -25.184  19.403
  314    HA   ARG  37           HA       ARG  37   8.075 -22.944  21.289
  315    HE   ARG  37           HE       ARG  37   3.479 -21.617  19.793
  316    HB2  ARG  37           HB2      ARG  37   5.976 -25.166  21.148
  317    HB3  ARG  37           HB3      ARG  37   6.060 -23.954  22.418
  318    HG2  ARG  37           HG2      ARG  37   5.698 -22.142  20.784
  319    HG3  ARG  37           HG3      ARG  37   5.584 -23.330  19.466
  320    HD2  ARG  37           HD2      ARG  37   3.623 -24.349  20.437
  321    HD3  ARG  37           HD3      ARG  37   3.838 -23.461  21.957
  322   HH11  ARG  37          HH21      ARG  37   1.648 -23.862  21.866
  323   HH12  ARG  37          HH22      ARG  37   0.176 -22.977  21.743
  324   HH21  ARG  37          HH11      ARG  37   1.569 -20.486  19.606
  325   HH22  ARG  37          HH12      ARG  37   0.120 -20.978  20.450
  326    H    ASP  38           H        ASP  38   8.818 -23.229  23.412
  327    HA   ASP  38           HA       ASP  38  10.438 -25.477  24.044
  328    HB2  ASP  38           HB2      ASP  38  10.744 -23.258  25.055
  329    HB3  ASP  38           HB3      ASP  38   9.168 -23.373  25.842
  330    H    ASP  39           H        ASP  39   7.006 -24.942  24.464
  331    HA   ASP  39           HA       ASP  39   6.362 -26.929  26.361
  332    HB2  ASP  39           HB2      ASP  39   4.820 -25.187  25.558
  333    HB3  ASP  39           HB3      ASP  39   4.813 -25.914  23.949
  334    H    GLY  40           H        GLY  40   7.555 -27.318  23.103
  335    HA2  GLY  40           HA2      GLY  40   8.344 -29.441  22.382
  336    HA3  GLY  40           HA3      GLY  40   7.008 -30.250  23.199
  337    H    ARG  41           H        ARG  41   5.392 -27.774  21.900
  338    HA   ARG  41           HA       ARG  41   4.600 -29.243  19.470
  339    HE   ARG  41           HE       ARG  41   0.622 -30.311  21.756
  340    HB2  ARG  41           HB2      ARG  41   3.471 -26.858  21.008
  341    HB3  ARG  41           HB3      ARG  41   2.899 -27.271  19.384
  342    HG2  ARG  41           HG2      ARG  41   2.414 -29.567  20.106
  343    HG3  ARG  41           HG3      ARG  41   2.896 -29.181  21.763
  344    HD2  ARG  41           HD2      ARG  41   1.007 -27.708  22.043
  345    HD3  ARG  41           HD3      ARG  41   0.665 -27.734  20.301
  346   HH11  ARG  41          HH21      ARG  41  -1.452 -27.802  20.289
  347   HH12  ARG  41          HH22      ARG  41  -2.639 -28.952  19.776
  348   HH21  ARG  41          HH11      ARG  41  -0.855 -31.724  21.096
  349   HH22  ARG  41          HH12      ARG  41  -2.296 -31.255  20.199
  350    H    VAL  42           H        VAL  42   4.164 -27.831  17.524
  351    HA   VAL  42           HA       VAL  42   6.271 -25.740  17.144
  352    HB   VAL  42           HB       VAL  42   5.140 -27.728  15.129
  353   HG11  VAL  42          HG11      VAL  42   6.514 -26.568  13.414
  354   HG12  VAL  42          HG12      VAL  42   5.206 -25.550  14.000
  355   HG13  VAL  42          HG13      VAL  42   6.866 -25.272  14.574
  356   HG21  VAL  42          HG23      VAL  42   7.516 -28.277  14.774
  357   HG22  VAL  42          HG21      VAL  42   7.997 -27.087  15.998
  358   HG23  VAL  42          HG22      VAL  42   7.071 -28.527  16.464
  359    H    GLU  43           H        GLU  43   5.496 -23.832  16.274
  360    HA   GLU  43           HA       GLU  43   2.575 -23.658  15.718
  361    HB2  GLU  43           HB2      GLU  43   2.809 -22.387  17.704
  362    HB3  GLU  43           HB3      GLU  43   4.368 -21.715  17.207
  363    HG2  GLU  43           HG2      GLU  43   3.250 -20.427  15.397
  364    HG3  GLU  43           HG3      GLU  43   1.687 -21.103  15.875
  365    H    ILE  44           H        ILE  44   2.105 -22.605  13.847
  366    HA   ILE  44           HA       ILE  44   4.248 -21.322  12.289
  367    HB   ILE  44           HB       ILE  44   2.067 -22.976  11.019
  368   HG12  ILE  44          HG12      ILE  44   4.797 -24.120  11.742
  369   HG13  ILE  44          HG13      ILE  44   3.252 -24.620  12.436
  370   HG21  ILE  44          HG21      ILE  44   3.609 -22.966   9.091
  371   HG22  ILE  44          HG22      ILE  44   3.295 -21.326   9.640
  372   HG23  ILE  44          HG23      ILE  44   4.816 -22.123  10.083
  373   HD11  ILE  44          HD13      ILE  44   3.864 -26.256  10.851
  374   HD12  ILE  44          HD11      ILE  44   2.488 -25.349  10.184
  375   HD13  ILE  44          HD12      ILE  44   4.137 -25.064   9.578
  376    H    LEU  45           H        LEU  45   3.401 -19.509  11.158
  377    HA   LEU  45           HA       LEU  45   0.496 -19.006  11.152
  378    HG   LEU  45           HG       LEU  45  -0.489 -16.824  12.019
  379    HB2  LEU  45           HB2      LEU  45   1.560 -17.759  13.085
  380    HB3  LEU  45           HB3      LEU  45   2.567 -16.897  11.924
  381   HD11  LEU  45          HD11      LEU  45   1.559 -14.790  12.993
  382   HD12  LEU  45          HD12      LEU  45  -0.209 -14.599  13.026
  383   HD13  LEU  45          HD13      LEU  45   0.562 -15.836  14.024
  384   HD21  LEU  45          HD23      LEU  45   0.062 -16.160   9.802
  385   HD22  LEU  45          HD21      LEU  45  -0.105 -14.652  10.673
  386   HD23  LEU  45          HD22      LEU  45   1.521 -15.282  10.327
  387    H    ALA  46           H        ALA  46   0.003 -18.385   8.993
  388    HA   ALA  46           HA       ALA  46   2.242 -17.562   7.252
  389    HB1  ALA  46           HB3      ALA  46   1.697 -19.299   5.603
  390    HB2  ALA  46           HB1      ALA  46   2.275 -20.011   7.118
  391    HB3  ALA  46           HB2      ALA  46   0.538 -20.033   6.736
  392    H    GLU  47           H        GLU  47   1.526 -16.662   5.265
  393    HA   GLU  47           HA       GLU  47  -1.346 -15.947   5.049
  394    HB2  GLU  47           HB2      GLU  47   1.082 -14.091   4.897
  395    HB3  GLU  47           HB3      GLU  47  -0.579 -13.640   4.474
  396    HG2  GLU  47           HG2      GLU  47  -1.315 -14.187   6.763
  397    HG3  GLU  47           HG3      GLU  47   0.352 -14.550   7.237
  398    H    GLY  48           H        GLY  48  -2.087 -16.017   2.959
  399    HA2  GLY  48           HA2      GLY  48  -0.630 -15.868   0.554
  400    HA3  GLY  48           HA3      GLY  48  -0.553 -17.546   1.104
  401    HA   PRO  49           HA       PRO  49  -4.717 -17.035  -0.954
  402    HB2  PRO  49           HB2      PRO  49  -4.360 -18.749  -3.066
  403    HB3  PRO  49           HB3      PRO  49  -3.975 -17.002  -3.139
  404    HG2  PRO  49           HG2      PRO  49  -2.094 -19.313  -2.672
  405    HG3  PRO  49           HG3      PRO  49  -1.863 -17.898  -3.740
  406    HD2  PRO  49           HD2      PRO  49  -0.780 -18.067  -1.210
  407    HD3  PRO  49           HD3      PRO  49  -1.282 -16.512  -1.938
  408    H    GLU  50           H        GLU  50  -6.322 -18.680  -0.757
  409    HA   GLU  50           HA       GLU  50  -5.901 -20.301   1.467
  410    HB2  GLU  50           HB2      GLU  50  -8.074 -19.368   0.662
  411    HB3  GLU  50           HB3      GLU  50  -8.101 -20.580  -0.625
  412    HG2  GLU  50           HG2      GLU  50  -8.115 -22.384   1.096
  413    HG3  GLU  50           HG3      GLU  50  -8.047 -21.162   2.371
  414    H    ASN  51           H        ASN  51  -5.867 -21.286  -2.011
  415    HA   ASN  51           HA       ASN  51  -5.712 -24.086  -1.488
  416    HB2  ASN  51           HB2      ASN  51  -6.276 -23.213  -3.711
  417    HB3  ASN  51           HB3      ASN  51  -4.676 -22.478  -3.862
  418   HD21  ASN  51          HD22      ASN  51  -3.137 -23.731  -4.946
  419   HD22  ASN  51          HD21      ASN  51  -3.226 -25.462  -5.120
  420    H    ALA  52           H        ALA  52  -3.184 -21.603  -1.675
  421    HA   ALA  52           HA       ALA  52  -0.956 -23.460  -1.609
  422    HB1  ALA  52           HB3      ALA  52  -0.675 -21.149  -2.426
  423    HB2  ALA  52           HB1      ALA  52  -1.076 -20.519  -0.804
  424    HB3  ALA  52           HB2      ALA  52   0.388 -21.479  -1.055
  425    H    LEU  53           H        LEU  53  -2.802 -21.562   0.866
  426    HA   LEU  53           HA       LEU  53  -1.238 -22.534   3.055
  427    HG   LEU  53           HG       LEU  53  -2.235 -19.769   2.268
  428    HB2  LEU  53           HB2      LEU  53  -4.049 -21.387   2.927
  429    HB3  LEU  53           HB3      LEU  53  -3.177 -21.718   4.416
  430   HD11  LEU  53          HD11      LEU  53  -4.286 -19.085   3.522
  431   HD12  LEU  53          HD12      LEU  53  -3.338 -19.159   5.028
  432   HD13  LEU  53          HD13      LEU  53  -2.902 -18.007   3.755
  433   HD21  LEU  53          HD23      LEU  53  -0.639 -18.996   4.031
  434   HD22  LEU  53          HD21      LEU  53  -1.121 -20.382   5.035
  435   HD23  LEU  53          HD22      LEU  53  -0.310 -20.636   3.474
  436    H    GLN  54           H        GLN  54  -4.204 -23.853   1.502
  437    HA   GLN  54           HA       GLN  54  -4.619 -25.937   3.400
  438    HB2  GLN  54           HB2      GLN  54  -5.300 -25.582   0.453
  439    HB3  GLN  54           HB3      GLN  54  -5.684 -27.068   1.304
  440    HG2  GLN  54           HG2      GLN  54  -6.654 -24.324   2.200
  441    HG3  GLN  54           HG3      GLN  54  -7.578 -25.431   1.189
  442   HE21  GLN  54          HE22      GLN  54  -8.195 -27.585   2.143
  443   HE22  GLN  54          HE21      GLN  54  -8.361 -27.709   3.876
  444    H    SER  55           H        SER  55  -2.723 -25.963   0.268
  445    HA   SER  55           HA       SER  55  -1.913 -28.676   0.701
  446    HG   SER  55           HG       SER  55  -1.302 -25.671  -1.378
  447    HB2  SER  55           HB2      SER  55  -0.268 -28.257  -1.066
  448    HB3  SER  55           HB3      SER  55  -1.894 -27.718  -1.507
  449    H    PHE  56           H        PHE  56  -0.528 -25.586   1.745
  450    HA   PHE  56           HA       PHE  56   1.933 -26.530   2.769
  451    HD1  PHE  56           HD2      PHE  56   3.814 -24.808   3.374
  452    HD2  PHE  56           HD1      PHE  56   0.488 -23.360   5.701
  453    HE1  PHE  56           HE2      PHE  56   5.393 -23.820   5.022
  454    HE2  PHE  56           HE1      PHE  56   2.064 -22.363   7.327
  455    HZ   PHE  56           HZ       PHE  56   4.521 -22.544   6.958
  456    HB2  PHE  56           HB2      PHE  56   1.388 -24.180   2.426
  457    HB3  PHE  56           HB3      PHE  56   0.099 -24.256   3.600
  458    H    VAL  57           H        VAL  57  -1.352 -26.277   4.355
  459    HA   VAL  57           HA       VAL  57  -0.573 -27.439   6.827
  460    HB   VAL  57           HB       VAL  57  -3.229 -27.333   5.358
  461   HG11  VAL  57          HG11      VAL  57  -3.355 -29.373   6.718
  462   HG12  VAL  57          HG12      VAL  57  -2.737 -28.495   8.134
  463   HG13  VAL  57          HG13      VAL  57  -4.327 -28.097   7.441
  464   HG21  VAL  57          HG23      VAL  57  -2.282 -25.226   6.386
  465   HG22  VAL  57          HG21      VAL  57  -3.831 -25.738   7.073
  466   HG23  VAL  57          HG22      VAL  57  -2.330 -26.047   7.961
  467    H    GLU  58           H        GLU  58  -1.759 -28.996   3.780
  468    HA   GLU  58           HA       GLU  58  -1.807 -31.624   4.762
  469    HB2  GLU  58           HB2      GLU  58  -1.270 -30.587   1.961
  470    HB3  GLU  58           HB3      GLU  58  -1.461 -32.292   2.331
  471    HG2  GLU  58           HG2      GLU  58  -3.592 -30.205   2.961
  472    HG3  GLU  58           HG3      GLU  58  -3.522 -31.115   1.460
  473    H    ALA  59           H        ALA  59   0.913 -29.790   3.415
  474    HA   ALA  59           HA       ALA  59   2.824 -31.924   3.515
  475    HB1  ALA  59           HB3      ALA  59   3.276 -28.905   3.571
  476    HB2  ALA  59           HB1      ALA  59   4.492 -30.144   3.217
  477    HB3  ALA  59           HB2      ALA  59   3.126 -29.911   2.113
  478    H    VAL  60           H        VAL  60   1.942 -29.312   5.839
  479    HA   VAL  60           HA       VAL  60   3.921 -29.928   7.791
  480    HB   VAL  60           HB       VAL  60   1.228 -28.531   7.910
  481   HG11  VAL  60          HG11      VAL  60   1.636 -29.398  10.179
  482   HG12  VAL  60          HG12      VAL  60   3.280 -28.735  10.144
  483   HG13  VAL  60          HG13      VAL  60   1.866 -27.656  10.122
  484   HG21  VAL  60          HG23      VAL  60   2.545 -26.515   7.992
  485   HG22  VAL  60          HG21      VAL  60   4.053 -27.432   8.210
  486   HG23  VAL  60          HG22      VAL  60   3.208 -27.468   6.666
  487    H    LYS  61           H        LYS  61   0.690 -31.435   7.180
  488    HA   LYS  61           HA       LYS  61   0.675 -32.941   9.583
  489    HB2  LYS  61           HB2      LYS  61  -0.308 -34.176   7.007
  490    HB3  LYS  61           HB3      LYS  61  -0.884 -34.407   8.664
  491    HG2  LYS  61           HG2      LYS  61  -1.641 -31.943   8.568
  492    HG3  LYS  61           HG3      LYS  61  -1.339 -32.058   6.833
  493    HD2  LYS  61           HD2      LYS  61  -3.361 -33.650   8.435
  494    HD3  LYS  61           HD3      LYS  61  -3.666 -32.392   7.227
  495    HE2  LYS  61           HE2      LYS  61  -2.357 -33.972   5.590
  496    HE3  LYS  61           HE3      LYS  61  -2.636 -35.224   6.809
  497    HZ1  LYS  61           HZ3      LYS  61  -4.386 -35.250   5.184
  498    HZ2  LYS  61           HZ1      LYS  61  -5.051 -34.693   6.571
  499    HZ3  LYS  61           HZ2      LYS  61  -4.662 -33.645   5.347
  500    H    ASN  62           H        ASN  62   2.571 -33.442   6.615
  501    HA   ASN  62           HA       ASN  62   3.498 -36.069   7.458
  502    HB2  ASN  62           HB2      ASN  62   3.358 -35.386   5.037
  503    HB3  ASN  62           HB3      ASN  62   4.682 -34.253   5.318
  504   HD21  ASN  62          HD22      ASN  62   6.866 -35.150   5.804
  505   HD22  ASN  62          HD21      ASN  62   7.194 -36.822   5.413
  506    H    GLY  63           H        GLY  63   4.737 -32.737   7.328
  507    HA2  GLY  63           HA2      GLY  63   6.404 -31.664   8.553
  508    HA3  GLY  63           HA3      GLY  63   6.583 -33.108   9.560
  509    H    SER  64           H        SER  64   8.963 -32.385   9.187
  510    HA   SER  64           HA       SER  64  10.361 -33.077   6.835
  511    HG   SER  64           HG       SER  64  12.099 -31.406   9.433
  512    HB2  SER  64           HB2      SER  64  11.258 -33.628   9.693
  513    HB3  SER  64           HB3      SER  64  12.268 -33.255   8.285
  514    HA   PRO  65           HA       PRO  65   9.778 -37.430   6.384
  515    HB2  PRO  65           HB2      PRO  65  12.790 -37.739   6.458
  516    HB3  PRO  65           HB3      PRO  65  11.615 -38.470   5.320
  517    HG2  PRO  65           HG2      PRO  65  13.028 -36.282   4.585
  518    HG3  PRO  65           HG3      PRO  65  11.277 -36.379   4.211
  519    HD2  PRO  65           HD2      PRO  65  12.643 -34.863   6.437
  520    HD3  PRO  65           HD3      PRO  65  11.276 -34.370   5.390
  521    H    PHE  66           H        PHE  66  12.060 -36.531   8.940
  522    HA   PHE  66           HA       PHE  66  11.917 -39.101  10.296
  523    HD1  PHE  66           HD1      PHE  66  14.444 -39.750   9.985
  524    HD2  PHE  66           HD2      PHE  66  14.499 -35.438   9.731
  525    HE1  PHE  66           HE1      PHE  66  16.277 -39.865   8.316
  526    HE2  PHE  66           HE2      PHE  66  16.326 -35.564   8.063
  527    HZ   PHE  66           HZ       PHE  66  17.220 -37.775   7.349
  528    HB2  PHE  66           HB2      PHE  66  13.078 -36.484  11.295
  529    HB3  PHE  66           HB3      PHE  66  13.467 -38.102  11.855
  530    H    SER  67           H        SER  67   9.684 -36.548  10.203
  531    HA   SER  67           HA       SER  67   9.106 -36.253  13.009
  532    HG   SER  67           HG       SER  67   8.997 -34.623  10.111
  533    HB2  SER  67           HB2      SER  67   7.227 -35.672  10.700
  534    HB3  SER  67           HB3      SER  67   7.263 -34.918  12.300
  535    H    LYS  68           H        LYS  68   7.036 -36.797  13.927
  536    HA   LYS  68           HA       LYS  68   5.346 -38.812  12.657
  537    HB2  LYS  68           HB2      LYS  68   7.194 -39.977  14.122
  538    HB3  LYS  68           HB3      LYS  68   6.260 -39.420  15.497
  539    HG2  LYS  68           HG2      LYS  68   5.326 -41.227  13.223
  540    HG3  LYS  68           HG3      LYS  68   5.702 -41.720  14.874
  541    HD2  LYS  68           HD2      LYS  68   3.773 -40.359  15.704
  542    HD3  LYS  68           HD3      LYS  68   3.377 -39.945  14.017
  543    HE2  LYS  68           HE2      LYS  68   3.154 -42.357  13.475
  544    HE3  LYS  68           HE3      LYS  68   3.480 -42.766  15.164
  545    HZ1  LYS  68           HZ3      LYS  68   1.175 -41.144  14.237
  546    HZ2  LYS  68           HZ1      LYS  68   1.107 -42.719  14.648
  547    HZ3  LYS  68           HZ2      LYS  68   1.456 -41.610  15.783
  548    H    VAL  69           H        VAL  69   4.054 -36.894  12.499
  549    HA   VAL  69           HA       VAL  69   3.272 -35.275  14.733
  550    HB   VAL  69           HB       VAL  69   1.909 -35.891  12.071
  551   HG11  VAL  69          HG11      VAL  69   0.661 -33.756  12.419
  552   HG12  VAL  69          HG12      VAL  69   0.215 -34.995  13.592
  553   HG13  VAL  69          HG13      VAL  69   1.299 -33.675  14.075
  554   HG21  VAL  69          HG23      VAL  69   3.592 -33.490  12.907
  555   HG22  VAL  69          HG21      VAL  69   4.123 -34.778  11.802
  556   HG23  VAL  69          HG22      VAL  69   2.800 -33.704  11.349
  557    H    THR  70           H        THR  70   1.646 -35.618  16.257
  558    HA   THR  70           HA       THR  70  -0.001 -38.098  16.026
  559    HB   THR  70           HB       THR  70   0.000 -38.079  18.506
  560    HG1  THR  70           HG1      THR  70   1.255 -36.674  19.602
  561   HG21  THR  70          HG23      THR  70   2.823 -38.092  17.342
  562   HG22  THR  70          HG21      THR  70   2.289 -38.887  18.837
  563   HG23  THR  70          HG22      THR  70   1.679 -39.449  17.272
  564    H    ASP  71           H        ASP  71  -0.000 -34.598  16.441
  565    HA   ASP  71           HA       ASP  71  -2.899 -34.548  16.109
  566    HB2  ASP  71           HB2      ASP  71  -2.745 -34.694  18.558
  567    HB3  ASP  71           HB3      ASP  71  -1.549 -33.403  18.592
  568    H    ILE  72           H        ILE  72  -3.584 -32.442  15.407
  569    HA   ILE  72           HA       ILE  72  -1.658 -30.343  14.986
  570    HB   ILE  72           HB       ILE  72  -1.094 -31.810  13.110
  571   HG12  ILE  72          HG12      ILE  72  -2.564 -29.297  12.222
  572   HG13  ILE  72          HG13      ILE  72  -0.906 -29.403  12.821
  573   HG21  ILE  72          HG21      ILE  72  -2.616 -32.442  11.339
  574   HG22  ILE  72          HG22      ILE  72  -3.280 -33.004  12.865
  575   HG23  ILE  72          HG23      ILE  72  -3.952 -31.549  12.098
  576   HD11  ILE  72          HD13      ILE  72  -0.800 -29.222  10.445
  577   HD12  ILE  72          HD11      ILE  72  -0.384 -30.908  10.834
  578   HD13  ILE  72          HD12      ILE  72  -2.003 -30.493  10.215
  579    H    SER  73           H        SER  73  -2.765 -28.373  14.568
  580    HA   SER  73           HA       SER  73  -5.732 -28.406  14.426
  581    HG   SER  73           HG       SER  73  -5.773 -28.999  16.946
  582    HB2  SER  73           HB2      SER  73  -4.111 -26.749  16.409
  583    HB3  SER  73           HB3      SER  73  -5.871 -26.814  16.266
  584    H    VAL  74           H        VAL  74  -6.562 -26.424  13.522
  585    HA   VAL  74           HA       VAL  74  -4.592 -24.545  12.367
  586    HB   VAL  74           HB       VAL  74  -6.844 -25.863  10.788
  587   HG11  VAL  74          HG11      VAL  74  -5.703 -24.820   8.819
  588   HG12  VAL  74          HG12      VAL  74  -6.327 -23.622   9.947
  589   HG13  VAL  74          HG13      VAL  74  -4.591 -23.989   9.930
  590   HG21  VAL  74          HG23      VAL  74  -5.089 -27.004   9.469
  591   HG22  VAL  74          HG21      VAL  74  -3.859 -26.419  10.607
  592   HG23  VAL  74          HG22      VAL  74  -5.116 -27.562  11.138
  593    H    THR  75           H        THR  75  -5.409 -22.476  12.141
  594    HA   THR  75           HA       THR  75  -8.272 -21.921  12.533
  595    HB   THR  75           HB       THR  75  -6.161 -20.194  13.871
  596    HG1  THR  75           HG1      THR  75  -6.041 -22.227  14.851
  597   HG21  THR  75          HG23      THR  75  -9.159 -20.524  14.336
  598   HG22  THR  75          HG21      THR  75  -8.080 -19.487  15.299
  599   HG23  THR  75          HG22      THR  75  -8.343 -19.130  13.591
  600    H    GLU  76           H        GLU  76  -8.723 -19.715  11.478
  601    HA   GLU  76           HA       GLU  76  -6.606 -18.681   9.772
  602    HB2  GLU  76           HB2      GLU  76  -7.728 -19.054   7.685
  603    HB3  GLU  76           HB3      GLU  76  -7.416 -20.600   8.455
  604    HG2  GLU  76           HG2      GLU  76 -10.097 -19.150   8.434
  605    HG3  GLU  76           HG3      GLU  76  -9.623 -20.412   7.310
  606    H    SER  77           H        SER  77  -7.296 -16.790   8.546
  607    HA   SER  77           HA       SER  77  -9.602 -15.282   9.636
  608    HG   SER  77           HG       SER  77  -6.941 -14.329  11.917
  609    HB2  SER  77           HB2      SER  77  -6.708 -14.291   9.636
  610    HB3  SER  77           HB3      SER  77  -8.130 -13.398  10.186
  611    H    ARG  78           H        ARG  78 -10.423 -13.865   8.106
  612    HA   ARG  78           HA       ARG  78  -9.222 -13.680   5.427
  613    HE   ARG  78           HE       ARG  78 -11.531 -13.099   3.251
  614    HB2  ARG  78           HB2      ARG  78 -11.401 -11.958   6.702
  615    HB3  ARG  78           HB3      ARG  78 -10.977 -12.032   4.995
  616    HG2  ARG  78           HG2      ARG  78 -12.250 -14.258   6.631
  617    HG3  ARG  78           HG3      ARG  78 -13.055 -13.239   5.445
  618    HD2  ARG  78           HD2      ARG  78 -10.798 -15.183   4.836
  619    HD3  ARG  78           HD3      ARG  78 -12.524 -15.493   4.595
  620   HH11  ARG  78          HH21      ARG  78 -12.058 -16.593   2.907
  621   HH12  ARG  78          HH22      ARG  78 -12.083 -16.564   1.184
  622   HH21  ARG  78          HH11      ARG  78 -11.558 -13.058   0.951
  623   HH22  ARG  78          HH12      ARG  78 -11.785 -14.508   0.052
  624    H    SER  79           H        SER  79  -9.350 -11.733   8.437
  625    HA   SER  79           HA       SER  79  -7.954  -9.468   7.600
  626    HG   SER  79           HG       SER  79  -9.716  -9.644  10.773
  627    HB2  SER  79           HB2      SER  79  -7.787 -10.831  10.317
  628    HB3  SER  79           HB3      SER  79  -7.643  -9.102   9.960
  629    H    LEU  80           H        LEU  80  -5.757  -8.904   7.987
  630    HA   LEU  80           HA       LEU  80  -3.784 -11.139   7.788
  631    HG   LEU  80           HG       LEU  80  -5.513 -10.148   5.224
  632    HB2  LEU  80           HB2      LEU  80  -3.847  -8.568   6.161
  633    HB3  LEU  80           HB3      LEU  80  -2.610  -9.814   6.071
  634   HD11  LEU  80          HD11      LEU  80  -4.622 -10.143   2.957
  635   HD12  LEU  80          HD12      LEU  80  -4.167  -8.653   3.782
  636   HD13  LEU  80          HD13      LEU  80  -2.962  -9.942   3.571
  637   HD21  LEU  80          HD23      LEU  80  -4.751 -12.291   4.220
  638   HD22  LEU  80          HD21      LEU  80  -3.159 -12.085   4.996
  639   HD23  LEU  80          HD22      LEU  80  -4.626 -12.305   5.973
  640    H    GLU  81           H        GLU  81  -1.582 -10.342   8.064
  641    HA   GLU  81           HA       GLU  81  -1.239  -7.984   9.849
  642    HB2  GLU  81           HB2      GLU  81  -0.988 -10.196  11.029
  643    HB3  GLU  81           HB3      GLU  81   0.271 -10.632   9.879
  644    HG2  GLU  81           HG2      GLU  81   1.307  -9.915  11.923
  645    HG3  GLU  81           HG3      GLU  81   1.656  -8.716  10.690
  646    H    GLY  82           H        GLY  82  -0.036 -10.049   7.193
  647    HA2  GLY  82           HA2      GLY  82   0.997  -9.409   5.254
  648    HA3  GLY  82           HA3      GLY  82   0.915  -7.714   5.767
  649    H    HIS  83           H        HIS  83   2.532 -10.727   6.935
  650    HA   HIS  83           HA       HIS  83   4.818  -9.477   8.056
  651    HD1  HIS  83           HD1      HIS  83   2.017 -12.184   8.384
  652    HD2  HIS  83           HD2      HIS  83   5.684 -11.956  10.445
  653    HE1  HIS  83           HE1      HIS  83   1.511 -12.730  10.840
  654    HB2  HIS  83           HB2      HIS  83   4.387 -12.266   6.921
  655    HB3  HIS  83           HB3      HIS  83   5.816 -11.778   7.823
  656    H    HIS  84           H        HIS  84   6.911  -9.120   7.260
  657    HA   HIS  84           HA       HIS  84   7.107  -8.269   4.545
  658    HD1  HIS  84           HD1      HIS  84   8.812  -5.882   4.051
  659    HD2  HIS  84           HD2      HIS  84  11.449  -8.969   5.176
  660    HE1  HIS  84           HE1      HIS  84  10.915  -5.571   2.654
  661    HB2  HIS  84           HB2      HIS  84   8.331  -7.269   6.455
  662    HB3  HIS  84           HB3      HIS  84   9.272  -8.751   6.638
  663    H    ARG  85           H        ARG  85   7.978 -11.306   6.146
  664    HA   ARG  85           HA       ARG  85   8.580 -12.637   3.629
  665    HE   ARG  85           HE       ARG  85  12.189 -13.225   8.248
  666    HB2  ARG  85           HB2      ARG  85  10.809 -13.373   4.242
  667    HB3  ARG  85           HB3      ARG  85  10.792 -11.615   4.238
  668    HG2  ARG  85           HG2      ARG  85  10.657 -11.571   6.707
  669    HG3  ARG  85           HG3      ARG  85  10.533 -13.336   6.747
  670    HD2  ARG  85           HD2      ARG  85  12.793 -13.447   5.608
  671    HD3  ARG  85           HD3      ARG  85  12.926 -11.693   5.882
  672   HH11  ARG  85          HH21      ARG  85  15.009 -12.215   6.332
  673   HH12  ARG  85          HH22      ARG  85  16.119 -12.328   7.646
  674   HH21  ARG  85          HH11      ARG  85  13.638 -13.330   9.994
  675   HH22  ARG  85          HH12      ARG  85  15.318 -12.998   9.785
  676    H    PHE  86           H        PHE  86   9.495 -15.037   4.615
  677    HA   PHE  86           HA       PHE  86   7.665 -15.738   6.856
  678    HD1  PHE  86           HD2      PHE  86   9.442 -19.152   6.879
  679    HD2  PHE  86           HD1      PHE  86   5.463 -17.746   5.983
  680    HE1  PHE  86           HE2      PHE  86   8.491 -20.892   8.354
  681    HE2  PHE  86           HE1      PHE  86   4.525 -19.437   7.531
  682    HZ   PHE  86           HZ       PHE  86   6.034 -21.010   8.704
  683    HB2  PHE  86           HB2      PHE  86   7.353 -16.991   4.684
  684    HB3  PHE  86           HB3      PHE  86   8.968 -17.645   4.900
  685    H    SER  87           H        SER  87   8.691 -16.175   8.790
  686    HA   SER  87           HA       SER  87  11.689 -16.304   8.749
  687    HG   SER  87           HG       SER  87  10.480 -13.124   9.895
  688    HB2  SER  87           HB2      SER  87   9.763 -15.015  10.716
  689    HB3  SER  87           HB3      SER  87  11.526 -15.058  10.882
  690    H    ILE  88           H        ILE  88  12.714 -17.849   9.959
  691    HA   ILE  88           HA       ILE  88  11.171 -19.638  11.726
  692    HB   ILE  88           HB       ILE  88  14.157 -19.357  11.176
  693   HG12  ILE  88          HG12      ILE  88  12.270 -21.631  10.369
  694   HG13  ILE  88          HG13      ILE  88  12.644 -20.292   9.296
  695   HG21  ILE  88          HG21      ILE  88  14.342 -21.524  12.448
  696   HG22  ILE  88          HG22      ILE  88  13.801 -20.193  13.455
  697   HG23  ILE  88          HG23      ILE  88  12.618 -21.374  12.873
  698   HD11  ILE  88          HD13      ILE  88  15.048 -20.825   9.405
  699   HD12  ILE  88          HD11      ILE  88  14.671 -22.278  10.368
  700   HD13  ILE  88          HD12      ILE  88  14.060 -22.128   8.715
  701    H    VAL  89           H        VAL  89  11.058 -19.318  13.908
  702    HA   VAL  89           HA       VAL  89  12.356 -16.963  15.158
  703    HB   VAL  89           HB       VAL  89   9.412 -17.790  15.206
  704   HG11  VAL  89          HG11      VAL  89   9.966 -17.014  17.443
  705   HG12  VAL  89          HG12      VAL  89  10.791 -15.576  16.781
  706   HG13  VAL  89          HG13      VAL  89   9.036 -15.771  16.615
  707   HG21  VAL  89          HG23      VAL  89   9.947 -16.515  13.192
  708   HG22  VAL  89          HG21      VAL  89   9.006 -15.514  14.293
  709   HG23  VAL  89          HG22      VAL  89  10.761 -15.268  14.161
  710    H    TYR  90           H        TYR  90  12.465 -17.247  17.531
  711    HA   TYR  90           HA       TYR  90  12.965 -20.111  18.191
  712    HD1  TYR  90           HD1      TYR  90  15.722 -21.017  17.382
  713    HD2  TYR  90           HD2      TYR  90  14.899 -16.924  16.301
  714    HE1  TYR  90           HE1      TYR  90  16.718 -21.410  15.137
  715    HE2  TYR  90           HE2      TYR  90  15.878 -17.304  14.065
  716    HH   TYR  90           HH       TYR  90  16.925 -18.829  12.645
  717    HB2  TYR  90           HB2      TYR  90  14.744 -17.686  18.650
  718    HB3  TYR  90           HB3      TYR  90  15.124 -19.344  19.082
  719    H    SER  91           H        SER  91  10.825 -17.995  19.106
  720    HA   SER  91           HA       SER  91  10.976 -18.528  21.985
  721    HG   SER  91           HG       SER  91  12.497 -15.239  21.936
  722    HB2  SER  91           HB2      SER  91  10.536 -15.742  20.809
  723    HB3  SER  91           HB3      SER  91  10.473 -16.188  22.519
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -5.764 -13.544  -1.662
    2    H2   MET   1           H2       MET   1  -6.716 -14.635  -0.893
    3    H3   MET   1           H3       MET   1  -6.919 -13.045  -0.605
    4    HA   MET   1           HA       MET   1  -4.543 -14.625   0.122
    5    HB2  MET   1           HB2      MET   1  -5.167 -11.667   0.458
    6    HB3  MET   1           HB3      MET   1  -4.031 -12.507   1.512
    7    HG2  MET   1           HG2      MET   1  -3.783 -12.346  -1.511
    8    HG3  MET   1           HG3      MET   1  -2.933 -11.325  -0.364
    9    HE1  MET   1           HE3      MET   1  -0.282 -13.600   1.265
   10    HE2  MET   1           HE1      MET   1  -0.941 -11.963   1.080
   11    HE3  MET   1           HE2      MET   1  -1.860 -13.202   1.970
   12    H    LEU   2           H        LEU   2  -4.455 -15.411   2.205
   13    HA   LEU   2           HA       LEU   2  -6.686 -14.924   4.087
   14    HG   LEU   2           HG       LEU   2  -6.412 -17.980   5.271
   15    HB2  LEU   2           HB2      LEU   2  -7.285 -16.820   2.584
   16    HB3  LEU   2           HB3      LEU   2  -5.739 -17.593   2.926
   17   HD11  LEU   2          HD11      LEU   2  -7.863 -16.012   5.610
   18   HD12  LEU   2          HD12      LEU   2  -9.012 -16.625   4.428
   19   HD13  LEU   2          HD13      LEU   2  -8.749 -17.491   5.969
   20   HD21  LEU   2          HD23      LEU   2  -6.980 -19.684   3.614
   21   HD22  LEU   2          HD21      LEU   2  -8.286 -19.558   4.803
   22   HD23  LEU   2          HD22      LEU   2  -8.477 -18.822   3.206
   23    H    GLN   3           H        GLN   3  -6.077 -15.658   6.279
   24    HA   GLN   3           HA       GLN   3  -3.177 -16.176   6.687
   25    HB2  GLN   3           HB2      GLN   3  -3.925 -13.923   7.572
   26    HB3  GLN   3           HB3      GLN   3  -5.122 -14.754   8.558
   27    HG2  GLN   3           HG2      GLN   3  -3.283 -16.008   9.708
   28    HG3  GLN   3           HG3      GLN   3  -2.102 -15.125   8.758
   29   HE21  GLN   3          HE22      GLN   3  -2.213 -12.578   9.043
   30   HE22  GLN   3          HE21      GLN   3  -2.333 -12.165  10.765
   31    H    TYR   4           H        TYR   4  -2.722 -17.946   7.918
   32    HA   TYR   4           HA       TYR   4  -4.881 -19.362   9.403
   33    HD1  TYR   4           HD2      TYR   4  -6.252 -19.836   7.822
   34    HD2  TYR   4           HD1      TYR   4  -3.397 -22.857   6.722
   35    HE1  TYR   4           HE2      TYR   4  -7.999 -20.996   6.556
   36    HE2  TYR   4           HE1      TYR   4  -5.141 -24.019   5.390
   37    HH   TYR   4           HH       TYR   4  -8.529 -22.815   5.208
   38    HB2  TYR   4           HB2      TYR   4  -2.707 -20.499   7.602
   39    HB3  TYR   4           HB3      TYR   4  -3.335 -21.411   8.956
   40    H    ARG   5           H        ARG   5  -4.133 -20.413  11.268
   41    HA   ARG   5           HA       ARG   5  -1.309 -20.023  12.062
   42    HE   ARG   5           HE       ARG   5  -0.542 -19.600  17.502
   43    HB2  ARG   5           HB2      ARG   5  -2.941 -18.557  13.457
   44    HB3  ARG   5           HB3      ARG   5  -3.608 -20.080  14.060
   45    HG2  ARG   5           HG2      ARG   5  -1.181 -20.664  14.793
   46    HG3  ARG   5           HG3      ARG   5  -0.790 -18.979  14.392
   47    HD2  ARG   5           HD2      ARG   5  -2.808 -18.407  15.983
   48    HD3  ARG   5           HD3      ARG   5  -2.644 -20.078  16.528
   49   HH11  ARG   5          HH21      ARG   5  -1.860 -16.653  15.974
   50   HH12  ARG   5          HH22      ARG   5  -0.837 -15.597  16.876
   51   HH21  ARG   5          HH11      ARG   5   0.720 -18.282  18.636
   52   HH22  ARG   5          HH12      ARG   5   0.694 -16.537  18.471
   53    H    ILE   6           H        ILE   6  -0.456 -22.032  12.789
   54    HA   ILE   6           HA       ILE   6  -2.316 -24.349  12.817
   55    HB   ILE   6           HB       ILE   6   0.361 -24.335  11.373
   56   HG12  ILE   6          HG12      ILE   6  -1.334 -24.867   9.358
   57   HG13  ILE   6          HG13      ILE   6  -2.418 -23.853  10.291
   58   HG21  ILE   6          HG21      ILE   6  -0.338 -26.534  10.535
   59   HG22  ILE   6          HG22      ILE   6  -0.265 -26.523  12.291
   60   HG23  ILE   6          HG23      ILE   6  -1.840 -26.431  11.479
   61   HD11  ILE   6          HD13      ILE   6  -1.167 -22.622   8.527
   62   HD12  ILE   6          HD11      ILE   6  -0.749 -21.984  10.126
   63   HD13  ILE   6          HD12      ILE   6   0.366 -23.081   9.287
   64    H    ILE   7           H        ILE   7  -1.729 -25.891  14.325
   65    HA   ILE   7           HA       ILE   7   0.706 -25.430  15.963
   66    HB   ILE   7           HB       ILE   7  -2.021 -26.253  17.033
   67   HG12  ILE   7          HG12      ILE   7  -2.186 -23.874  16.406
   68   HG13  ILE   7          HG13      ILE   7  -2.286 -24.126  18.131
   69   HG21  ILE   7          HG21      ILE   7  -0.219 -27.172  18.356
   70   HG22  ILE   7          HG22      ILE   7   0.605 -25.602  18.438
   71   HG23  ILE   7          HG23      ILE   7  -0.952 -25.845  19.265
   72   HD11  ILE   7          HD13      ILE   7  -0.935 -22.137  17.490
   73   HD12  ILE   7          HD11      ILE   7  -0.014 -23.302  18.462
   74   HD13  ILE   7          HD12      ILE   7   0.239 -23.206  16.709
   75    H    VAL   8           H        VAL   8   1.776 -27.404  16.378
   76    HA   VAL   8           HA       VAL   8   0.570 -29.883  15.237
   77    HB   VAL   8           HB       VAL   8   3.472 -29.180  14.780
   78   HG11  VAL   8          HG11      VAL   8   1.434 -30.781  13.169
   79   HG12  VAL   8          HG12      VAL   8   3.167 -30.634  12.811
   80   HG13  VAL   8          HG13      VAL   8   2.640 -31.453  14.284
   81   HG21  VAL   8          HG23      VAL   8   3.024 -28.236  12.571
   82   HG22  VAL   8          HG21      VAL   8   1.278 -28.223  12.905
   83   HG23  VAL   8          HG22      VAL   8   2.395 -27.188  13.831
   84    H    ASP   9           H        ASP   9   1.272 -31.811  16.273
   85    HA   ASP   9           HA       ASP   9   3.250 -31.593  18.471
   86    HB2  ASP   9           HB2      ASP   9   0.911 -31.358  19.413
   87    HB3  ASP   9           HB3      ASP   9   0.522 -32.912  18.692
   88    H    GLY  10           H        GLY  10   4.095 -33.697  19.078
   89    HA2  GLY  10           HA2      GLY  10   3.939 -36.185  18.489
   90    HA3  GLY  10           HA3      GLY  10   4.153 -35.637  16.821
   91    H    ARG  11           H        ARG  11   6.132 -36.885  16.786
   92    HA   ARG  11           HA       ARG  11   8.487 -35.670  18.121
   93    HE   ARG  11           HE       ARG  11  10.641 -37.711  18.977
   94    HB2  ARG  11           HB2      ARG  11   8.636 -38.051  17.704
   95    HB3  ARG  11           HB3      ARG  11   8.216 -37.845  16.011
   96    HG2  ARG  11           HG2      ARG  11  10.652 -38.283  16.473
   97    HG3  ARG  11           HG3      ARG  11  10.305 -36.897  15.461
   98    HD2  ARG  11           HD2      ARG  11  12.126 -36.438  17.043
   99    HD3  ARG  11           HD3      ARG  11  10.759 -35.351  17.297
  100   HH11  ARG  11          HH21      ARG  11  12.195 -34.492  18.740
  101   HH12  ARG  11          HH22      ARG  11  12.485 -34.389  20.437
  102   HH21  ARG  11          HH11      ARG  11  11.013 -37.514  21.228
  103   HH22  ARG  11          HH12      ARG  11  11.798 -36.125  21.873
  104    H    VAL  12           H        VAL  12   7.883 -33.540  17.501
  105    HA   VAL  12           HA       VAL  12   8.331 -32.895  14.626
  106    HB   VAL  12           HB       VAL  12   6.617 -31.146  14.855
  107   HG11  VAL  12          HG11      VAL  12   5.527 -33.892  15.597
  108   HG12  VAL  12          HG12      VAL  12   4.664 -32.576  14.794
  109   HG13  VAL  12          HG13      VAL  12   6.016 -33.378  13.973
  110   HG21  VAL  12          HG23      VAL  12   5.100 -30.997  16.715
  111   HG22  VAL  12          HG21      VAL  12   5.863 -32.361  17.546
  112   HG23  VAL  12          HG22      VAL  12   6.739 -30.841  17.362
  113    H    GLN  13           H        GLN  13  10.139 -32.851  17.165
  114    HA   GLN  13           HA       GLN  13  11.335 -30.262  16.465
  115    HB2  GLN  13           HB2      GLN  13  10.933 -31.174  19.353
  116    HB3  GLN  13           HB3      GLN  13  11.959 -29.845  18.805
  117    HG2  GLN  13           HG2      GLN  13   9.858 -28.770  17.826
  118    HG3  GLN  13           HG3      GLN  13   8.927 -29.993  18.688
  119   HE21  GLN  13          HE22      GLN  13   8.047 -27.783  19.627
  120   HE22  GLN  13          HE21      GLN  13   8.868 -27.170  21.028
  121    H    GLY  14           H        GLY  14  13.584 -30.345  16.624
  122    HA2  GLY  14           HA2      GLY  14  15.688 -31.245  16.890
  123    HA3  GLY  14           HA3      GLY  14  15.022 -32.616  17.804
  124    H    VAL  15           H        VAL  15  13.841 -31.551  14.617
  125    HA   VAL  15           HA       VAL  15  14.950 -34.000  13.320
  126    HB   VAL  15           HB       VAL  15  12.643 -34.451  12.400
  127   HG11  VAL  15          HG11      VAL  15  13.681 -35.805  14.198
  128   HG12  VAL  15          HG12      VAL  15  12.882 -34.776  15.408
  129   HG13  VAL  15          HG13      VAL  15  11.917 -35.753  14.280
  130   HG21  VAL  15          HG23      VAL  15  10.683 -33.698  13.764
  131   HG22  VAL  15          HG21      VAL  15  11.730 -32.579  14.624
  132   HG23  VAL  15          HG22      VAL  15  11.479 -32.367  12.887
  133    H    GLY  16           H        GLY  16  14.164 -30.651  13.110
  134    HA2  GLY  16           HA2      GLY  16  15.198 -29.343  11.408
  135    HA3  GLY  16           HA3      GLY  16  14.906 -30.630  10.220
  136    H    PHE  17           H        PHE  17  12.470 -29.730  12.709
  137    HA   PHE  17           HA       PHE  17  10.493 -29.705  10.605
  138    HD1  PHE  17           HD2      PHE  17   7.936 -27.659  12.005
  139    HD2  PHE  17           HD1      PHE  17   8.685 -31.883  12.377
  140    HE1  PHE  17           HE2      PHE  17   5.601 -28.136  11.311
  141    HE2  PHE  17           HE1      PHE  17   6.350 -32.359  11.688
  142    HZ   PHE  17           HZ       PHE  17   4.810 -30.491  11.125
  143    HB2  PHE  17           HB2      PHE  17  10.296 -30.348  13.149
  144    HB3  PHE  17           HB3      PHE  17   9.935 -28.644  13.369
  145    H    ARG  18           H        ARG  18  12.098 -27.087  12.546
  146    HA   ARG  18           HA       ARG  18  10.504 -24.975  11.412
  147    HE   ARG  18           HE       ARG  18  13.228 -25.941  14.911
  148    HB2  ARG  18           HB2      ARG  18  13.323 -25.060  12.554
  149    HB3  ARG  18           HB3      ARG  18  12.586 -23.568  11.976
  150    HG2  ARG  18           HG2      ARG  18  10.853 -23.606  13.583
  151    HG3  ARG  18           HG3      ARG  18  11.143 -25.291  14.024
  152    HD2  ARG  18           HD2      ARG  18  13.202 -23.098  14.489
  153    HD3  ARG  18           HD3      ARG  18  11.952 -23.531  15.671
  154   HH11  ARG  18          HH12      ARG  18  14.185 -22.909  16.550
  155   HH12  ARG  18          HH11      ARG  18  15.246 -23.702  17.660
  156   HH21  ARG  18          HH21      ARG  18  14.427 -26.959  16.457
  157   HH22  ARG  18          HH22      ARG  18  15.500 -26.079  17.537
  158    H    TYR  19           H        TYR  19  13.531 -26.527  10.244
  159    HA   TYR  19           HA       TYR  19  13.828 -24.775   7.990
  160    HD1  TYR  19           HD1      TYR  19  16.258 -24.507   6.886
  161    HD2  TYR  19           HD2      TYR  19  15.015 -28.602   6.299
  162    HE1  TYR  19           HE1      TYR  19  17.171 -24.453   4.584
  163    HE2  TYR  19           HE2      TYR  19  15.928 -28.558   4.005
  164    HH   TYR  19           HH       TYR  19  17.016 -27.289   2.377
  165    HB2  TYR  19           HB2      TYR  19  15.690 -26.114   8.839
  166    HB3  TYR  19           HB3      TYR  19  14.834 -27.607   8.463
  167    H    PHE  20           H        PHE  20  12.167 -27.954   8.418
  168    HA   PHE  20           HA       PHE  20  11.408 -28.310   5.731
  169    HD1  PHE  20           HD2      PHE  20  10.455 -30.765   4.958
  170    HD2  PHE  20           HD1      PHE  20   7.759 -29.314   8.003
  171    HE1  PHE  20           HE2      PHE  20   8.535 -31.761   3.740
  172    HE2  PHE  20           HE1      PHE  20   5.845 -30.297   6.764
  173    HZ   PHE  20           HZ       PHE  20   6.229 -31.535   4.648
  174    HB2  PHE  20           HB2      PHE  20  11.225 -30.089   7.349
  175    HB3  PHE  20           HB3      PHE  20  10.105 -29.169   8.339
  176    H    VAL  21           H        VAL  21   9.581 -26.666   8.403
  177    HA   VAL  21           HA       VAL  21   7.421 -25.874   6.728
  178    HB   VAL  21           HB       VAL  21   8.498 -24.710   9.327
  179   HG11  VAL  21          HG11      VAL  21   6.215 -23.725   9.587
  180   HG12  VAL  21          HG12      VAL  21   7.084 -23.007   8.223
  181   HG13  VAL  21          HG13      VAL  21   5.833 -24.238   7.936
  182   HG21  VAL  21          HG23      VAL  21   7.665 -27.082   9.460
  183   HG22  VAL  21          HG21      VAL  21   6.626 -25.965  10.348
  184   HG23  VAL  21          HG22      VAL  21   6.137 -26.564   8.750
  185    H    GLN  22           H        GLN  22  10.581 -24.268   7.422
  186    HA   GLN  22           HA       GLN  22  10.024 -21.811   6.116
  187    HB2  GLN  22           HB2      GLN  22  11.952 -22.255   7.622
  188    HB3  GLN  22           HB3      GLN  22  12.663 -23.289   6.386
  189    HG2  GLN  22           HG2      GLN  22  13.754 -21.198   6.210
  190    HG3  GLN  22           HG3      GLN  22  12.686 -21.346   4.817
  191   HE21  GLN  22          HE22      GLN  22  12.948 -18.966   4.630
  192   HE22  GLN  22          HE21      GLN  22  11.948 -17.933   5.641
  193    H    MET  23           H        MET  23  11.447 -24.892   4.797
  194    HA   MET  23           HA       MET  23  11.637 -23.679   2.172
  195    HB2  MET  23           HB2      MET  23  12.324 -25.826   1.342
  196    HB3  MET  23           HB3      MET  23  13.182 -25.447   2.835
  197    HG2  MET  23           HG2      MET  23  11.690 -26.937   4.085
  198    HG3  MET  23           HG3      MET  23  10.804 -27.343   2.618
  199    HE1  MET  23           HE3      MET  23  11.630 -28.914   0.746
  200    HE2  MET  23           HE1      MET  23  13.005 -27.841   0.389
  201    HE3  MET  23           HE2      MET  23  13.273 -29.577   0.630
  202    H    GLU  24           H        GLU  24   9.119 -25.688   3.761
  203    HA   GLU  24           HA       GLU  24   7.615 -26.112   1.360
  204    HB2  GLU  24           HB2      GLU  24   6.983 -26.189   4.347
  205    HB3  GLU  24           HB3      GLU  24   5.718 -26.427   3.164
  206    HG2  GLU  24           HG2      GLU  24   8.221 -28.153   3.370
  207    HG3  GLU  24           HG3      GLU  24   6.621 -28.558   4.005
  208    H    ALA  25           H        ALA  25   7.717 -23.406   3.669
  209    HA   ALA  25           HA       ALA  25   5.494 -21.997   2.436
  210    HB1  ALA  25           HB3      ALA  25   7.853 -21.062   4.142
  211    HB2  ALA  25           HB1      ALA  25   6.511 -20.035   3.623
  212    HB3  ALA  25           HB2      ALA  25   6.205 -21.408   4.704
  213    H    ASP  26           H        ASP  26   9.067 -22.014   2.077
  214    HA   ASP  26           HA       ASP  26   9.301 -19.806   0.377
  215    HB2  ASP  26           HB2      ASP  26  11.210 -20.920   1.539
  216    HB3  ASP  26           HB3      ASP  26  11.046 -22.299   0.457
  217    H    LYS  27           H        LYS  27   8.887 -23.293  -0.480
  218    HA   LYS  27           HA       LYS  27   9.054 -22.693  -3.278
  219    HB2  LYS  27           HB2      LYS  27   8.581 -25.024  -3.692
  220    HB3  LYS  27           HB3      LYS  27   9.795 -24.782  -2.459
  221    HG2  LYS  27           HG2      LYS  27   8.654 -26.485  -1.532
  222    HG3  LYS  27           HG3      LYS  27   7.821 -25.142  -0.753
  223    HD2  LYS  27           HD2      LYS  27   5.932 -25.338  -2.212
  224    HD3  LYS  27           HD3      LYS  27   6.754 -26.505  -3.270
  225    HE2  LYS  27           HE2      LYS  27   6.085 -26.932  -0.327
  226    HE3  LYS  27           HE3      LYS  27   5.089 -27.526  -1.649
  227    HZ1  LYS  27           HZ3      LYS  27   6.651 -29.132  -2.171
  228    HZ2  LYS  27           HZ1      LYS  27   7.916 -28.326  -1.507
  229    HZ3  LYS  27           HZ2      LYS  27   6.838 -29.033  -0.526
  230    H    ARG  28           H        ARG  28   6.538 -21.933  -1.236
  231    HA   ARG  28           HA       ARG  28   4.626 -21.746  -3.529
  232    HE   ARG  28           HE       ARG  28   1.808 -25.713  -1.545
  233    HB2  ARG  28           HB2      ARG  28   4.302 -22.006  -0.523
  234    HB3  ARG  28           HB3      ARG  28   2.998 -21.377  -1.525
  235    HG2  ARG  28           HG2      ARG  28   2.676 -23.418  -2.673
  236    HG3  ARG  28           HG3      ARG  28   4.249 -24.047  -2.166
  237    HD2  ARG  28           HD2      ARG  28   3.476 -23.955   0.209
  238    HD3  ARG  28           HD3      ARG  28   1.854 -23.553  -0.363
  239   HH11  ARG  28          HH21      ARG  28   4.368 -25.383   0.926
  240   HH12  ARG  28          HH22      ARG  28   4.471 -27.100   1.204
  241   HH21  ARG  28          HH11      ARG  28   2.055 -28.014  -1.162
  242   HH22  ARG  28          HH12      ARG  28   3.113 -28.552   0.090
  243    H    LYS  29           H        LYS  29   6.965 -19.975  -1.954
  244    HA   LYS  29           HA       LYS  29   7.267 -17.908  -1.165
  245    HB2  LYS  29           HB2      LYS  29   5.562 -17.154  -3.570
  246    HB3  LYS  29           HB3      LYS  29   6.613 -16.059  -2.663
  247    HG2  LYS  29           HG2      LYS  29   8.584 -17.461  -3.235
  248    HG3  LYS  29           HG3      LYS  29   7.540 -18.518  -4.206
  249    HD2  LYS  29           HD2      LYS  29   6.945 -16.599  -5.670
  250    HD3  LYS  29           HD3      LYS  29   7.931 -15.530  -4.668
  251    HE2  LYS  29           HE2      LYS  29   9.211 -16.063  -6.615
  252    HE3  LYS  29           HE3      LYS  29   9.960 -16.860  -5.231
  253    HZ1  LYS  29           HZ3      LYS  29   9.822 -18.311  -7.162
  254    HZ2  LYS  29           HZ1      LYS  29   8.926 -18.936  -5.956
  255    HZ3  LYS  29           HZ2      LYS  29   8.201 -18.185  -7.220
  256    H    LEU  30           H        LEU  30   5.359 -19.211   0.343
  257    HA   LEU  30           HA       LEU  30   3.158 -17.389   0.999
  258    HG   LEU  30           HG       LEU  30   3.105 -20.484   0.648
  259    HB2  LEU  30           HB2      LEU  30   4.513 -19.664   2.514
  260    HB3  LEU  30           HB3      LEU  30   3.155 -18.745   3.131
  261   HD11  LEU  30          HD11      LEU  30   1.877 -20.900   3.403
  262   HD12  LEU  30          HD12      LEU  30   1.640 -21.947   1.987
  263   HD13  LEU  30          HD13      LEU  30   3.247 -21.794   2.720
  264   HD21  LEU  30          HD23      LEU  30   0.850 -18.997   2.029
  265   HD22  LEU  30          HD21      LEU  30   1.483 -18.671   0.393
  266   HD23  LEU  30          HD22      LEU  30   0.640 -20.184   0.723
  267    H    ALA  31           H        ALA  31   3.170 -16.336   3.198
  268    HA   ALA  31           HA       ALA  31   5.870 -15.449   4.080
  269    HB1  ALA  31           HB3      ALA  31   4.842 -13.672   2.651
  270    HB2  ALA  31           HB1      ALA  31   3.422 -13.660   3.730
  271    HB3  ALA  31           HB2      ALA  31   5.023 -13.182   4.340
  272    H    GLY  32           H        GLY  32   5.864 -14.848   6.427
  273    HA2  GLY  32           HA2      GLY  32   4.032 -14.985   8.378
  274    HA3  GLY  32           HA3      GLY  32   3.982 -16.652   7.797
  275    H    TRP  33           H        TRP  33   4.737 -17.412   9.853
  276    HA   TRP  33           HA       TRP  33   7.577 -17.569   9.912
  277    HD1  TRP  33           HD1      TRP  33   5.663 -13.893  11.483
  278    HE1  TRP  33           HE1      TRP  33   3.738 -13.588  13.113
  279    HE3  TRP  33           HE3      TRP  33   5.937 -18.410  13.880
  280    HZ2  TRP  33           HZ2      TRP  33   2.442 -15.133  15.224
  281    HZ3  TRP  33           HZ3      TRP  33   4.323 -18.987  15.636
  282    HH2  TRP  33           HH2      TRP  33   2.566 -17.363  16.334
  283    HB2  TRP  33           HB2      TRP  33   7.758 -16.832  12.352
  284    HB3  TRP  33           HB3      TRP  33   7.578 -15.567  11.161
  285    H    VAL  34           H        VAL  34   8.375 -19.029  11.664
  286    HA   VAL  34           HA       VAL  34   6.326 -20.845  12.812
  287    HB   VAL  34           HB       VAL  34   7.007 -21.902  10.753
  288   HG11  VAL  34          HG11      VAL  34   9.908 -21.826  11.682
  289   HG12  VAL  34          HG12      VAL  34   9.285 -22.604  10.219
  290   HG13  VAL  34          HG13      VAL  34   9.233 -20.847  10.367
  291   HG21  VAL  34          HG23      VAL  34   6.676 -23.323  12.795
  292   HG22  VAL  34          HG21      VAL  34   7.730 -24.058  11.578
  293   HG23  VAL  34          HG22      VAL  34   8.429 -23.337  13.034
  294    H    LYS  35           H        LYS  35   6.897 -21.646  14.866
  295    HA   LYS  35           HA       LYS  35   9.678 -21.462  15.701
  296    HB2  LYS  35           HB2      LYS  35   8.991 -20.386  17.949
  297    HB3  LYS  35           HB3      LYS  35   9.312 -19.399  16.553
  298    HG2  LYS  35           HG2      LYS  35   7.483 -18.460  17.740
  299    HG3  LYS  35           HG3      LYS  35   6.971 -18.977  16.152
  300    HD2  LYS  35           HD2      LYS  35   5.248 -19.454  17.800
  301    HD3  LYS  35           HD3      LYS  35   5.856 -20.935  17.093
  302    HE2  LYS  35           HE2      LYS  35   5.516 -21.276  19.444
  303    HE3  LYS  35           HE3      LYS  35   7.258 -21.315  19.141
  304    HZ1  LYS  35           HZ3      LYS  35   6.623 -19.996  21.109
  305    HZ2  LYS  35           HZ1      LYS  35   7.439 -19.092  20.036
  306    HZ3  LYS  35           HZ2      LYS  35   5.796 -18.949  20.173
  307    H    ASN  36           H        ASN  36  10.191 -22.799  17.441
  308    HA   ASN  36           HA       ASN  36   8.383 -25.068  17.960
  309    HB2  ASN  36           HB2      ASN  36  11.213 -24.286  18.822
  310    HB3  ASN  36           HB3      ASN  36  10.340 -25.585  19.593
  311   HD21  ASN  36          HD22      ASN  36  12.403 -26.734  18.730
  312   HD22  ASN  36          HD21      ASN  36  12.374 -27.381  17.099
  313    H    ARG  37           H        ARG  37   7.114 -25.183  19.869
  314    HA   ARG  37           HA       ARG  37   7.283 -22.919  21.803
  315    HE   ARG  37           HE       ARG  37   2.646 -21.975  20.448
  316    HB2  ARG  37           HB2      ARG  37   5.437 -25.355  21.603
  317    HB3  ARG  37           HB3      ARG  37   5.436 -24.191  22.934
  318    HG2  ARG  37           HG2      ARG  37   4.848 -22.366  21.393
  319    HG3  ARG  37           HG3      ARG  37   4.811 -23.506  20.028
  320    HD2  ARG  37           HD2      ARG  37   2.967 -24.726  20.999
  321    HD3  ARG  37           HD3      ARG  37   3.127 -23.857  22.541
  322   HH11  ARG  37          HH21      ARG  37   0.967 -24.398  22.449
  323   HH12  ARG  37          HH22      ARG  37  -0.571 -23.632  22.330
  324   HH21  ARG  37          HH11      ARG  37   0.570 -21.020  20.194
  325   HH22  ARG  37          HH12      ARG  37  -0.789 -21.645  21.069
  326    H    ASP  38           H        ASP  38   8.183 -23.272  23.883
  327    HA   ASP  38           HA       ASP  38  10.043 -25.428  24.215
  328    HB2  ASP  38           HB2      ASP  38  10.289 -23.256  25.349
  329    HB3  ASP  38           HB3      ASP  38   8.790 -23.527  26.242
  330    H    ASP  39           H        ASP  39   6.655 -25.150  24.857
  331    HA   ASP  39           HA       ASP  39   6.112 -27.292  26.590
  332    HB2  ASP  39           HB2      ASP  39   4.342 -25.863  26.054
  333    HB3  ASP  39           HB3      ASP  39   4.712 -25.870  24.334
  334    H    GLY  40           H        GLY  40   7.206 -27.365  23.231
  335    HA2  GLY  40           HA2      GLY  40   8.204 -29.419  22.418
  336    HA3  GLY  40           HA3      GLY  40   6.908 -30.347  23.177
  337    H    ARG  41           H        ARG  41   4.817 -28.294  22.220
  338    HA   ARG  41           HA       ARG  41   4.287 -29.318  19.588
  339    HE   ARG  41           HE       ARG  41   1.859 -28.053  23.197
  340    HB2  ARG  41           HB2      ARG  41   3.195 -27.062  21.306
  341    HB3  ARG  41           HB3      ARG  41   2.689 -27.210  19.622
  342    HG2  ARG  41           HG2      ARG  41   1.825 -29.402  19.926
  343    HG3  ARG  41           HG3      ARG  41   2.494 -29.560  21.549
  344    HD2  ARG  41           HD2      ARG  41   0.447 -27.423  20.828
  345    HD3  ARG  41           HD3      ARG  41  -0.011 -29.065  21.324
  346   HH11  ARG  41          HH11      ARG  41  -1.527 -27.486  22.240
  347   HH12  ARG  41          HH12      ARG  41  -2.050 -27.075  23.830
  348   HH21  ARG  41          HH21      ARG  41   1.161 -27.595  25.301
  349   HH22  ARG  41          HH22      ARG  41  -0.476 -27.103  25.616
  350    H    VAL  42           H        VAL  42   3.975 -27.824  17.732
  351    HA   VAL  42           HA       VAL  42   6.058 -25.697  17.516
  352    HB   VAL  42           HB       VAL  42   5.300 -27.758  15.396
  353   HG11  VAL  42          HG11      VAL  42   5.603 -25.596  14.271
  354   HG12  VAL  42          HG12      VAL  42   7.131 -25.326  15.148
  355   HG13  VAL  42          HG13      VAL  42   6.990 -26.631  13.957
  356   HG21  VAL  42          HG23      VAL  42   6.932 -28.620  17.002
  357   HG22  VAL  42          HG21      VAL  42   7.739 -28.258  15.472
  358   HG23  VAL  42          HG22      VAL  42   7.914 -27.154  16.845
  359    H    GLU  43           H        GLU  43   5.356 -23.889  16.283
  360    HA   GLU  43           HA       GLU  43   2.438 -23.734  15.771
  361    HB2  GLU  43           HB2      GLU  43   2.609 -23.071  18.013
  362    HB3  GLU  43           HB3      GLU  43   4.133 -22.235  17.769
  363    HG2  GLU  43           HG2      GLU  43   3.032 -20.414  16.597
  364    HG3  GLU  43           HG3      GLU  43   1.494 -21.273  16.598
  365    H    ILE  44           H        ILE  44   1.927 -22.377  14.145
  366    HA   ILE  44           HA       ILE  44   4.087 -21.037  12.614
  367    HB   ILE  44           HB       ILE  44   1.891 -22.709  11.356
  368   HG12  ILE  44          HG12      ILE  44   4.618 -23.836  12.083
  369   HG13  ILE  44          HG13      ILE  44   3.060 -24.358  12.727
  370   HG21  ILE  44          HG21      ILE  44   4.632 -21.910  10.316
  371   HG22  ILE  44          HG22      ILE  44   3.325 -22.683   9.391
  372   HG23  ILE  44          HG23      ILE  44   3.124 -21.044   9.965
  373   HD11  ILE  44          HD13      ILE  44   3.713 -25.966  11.108
  374   HD12  ILE  44          HD11      ILE  44   2.377 -25.037  10.390
  375   HD13  ILE  44          HD12      ILE  44   4.048 -24.744   9.880
  376    H    LEU  45           H        LEU  45   3.284 -19.228  11.456
  377    HA   LEU  45           HA       LEU  45   0.361 -18.815  11.309
  378    HG   LEU  45           HG       LEU  45  -0.687 -16.597  11.732
  379    HB2  LEU  45           HB2      LEU  45   1.265 -17.406  13.165
  380    HB3  LEU  45           HB3      LEU  45   2.355 -16.620  12.024
  381   HD11  LEU  45          HD11      LEU  45  -0.652 -14.379  12.779
  382   HD12  LEU  45          HD12      LEU  45  -0.022 -15.599  13.892
  383   HD13  LEU  45          HD13      LEU  45   1.101 -14.512  13.048
  384   HD21  LEU  45          HD23      LEU  45  -0.148 -14.411  10.476
  385   HD22  LEU  45          HD21      LEU  45   1.544 -14.946  10.456
  386   HD23  LEU  45          HD22      LEU  45   0.276 -15.888   9.637
  387    H    ALA  46           H        ALA  46  -0.126 -18.409   9.151
  388    HA   ALA  46           HA       ALA  46   2.099 -17.725   7.307
  389    HB1  ALA  46           HB3      ALA  46   0.254 -20.140   7.023
  390    HB2  ALA  46           HB1      ALA  46   1.433 -19.580   5.816
  391    HB3  ALA  46           HB2      ALA  46   1.993 -20.194   7.383
  392    H    GLU  47           H        GLU  47   1.400 -16.766   5.384
  393    HA   GLU  47           HA       GLU  47  -1.469 -16.159   5.073
  394    HB2  GLU  47           HB2      GLU  47   0.848 -14.163   5.042
  395    HB3  GLU  47           HB3      GLU  47  -0.773 -13.822   4.410
  396    HG2  GLU  47           HG2      GLU  47  -1.730 -14.393   6.634
  397    HG3  GLU  47           HG3      GLU  47  -0.095 -14.527   7.295
  398    H    GLY  48           H        GLY  48  -2.137 -16.208   2.955
  399    HA2  GLY  48           HA2      GLY  48  -0.585 -15.858   0.623
  400    HA3  GLY  48           HA3      GLY  48  -0.490 -17.561   1.060
  401    HA   PRO  49           HA       PRO  49  -4.507 -17.013  -1.239
  402    HB2  PRO  49           HB2      PRO  49  -3.996 -18.713  -3.337
  403    HB3  PRO  49           HB3      PRO  49  -3.615 -16.964  -3.360
  404    HG2  PRO  49           HG2      PRO  49  -1.760 -19.274  -2.810
  405    HG3  PRO  49           HG3      PRO  49  -1.459 -17.824  -3.809
  406    HD2  PRO  49           HD2      PRO  49  -0.575 -18.085  -1.210
  407    HD3  PRO  49           HD3      PRO  49  -1.005 -16.504  -1.928
  408    H    GLU  50           H        GLU  50  -6.109 -18.417  -0.762
  409    HA   GLU  50           HA       GLU  50  -5.809 -20.108   1.368
  410    HB2  GLU  50           HB2      GLU  50  -7.842 -18.945   0.745
  411    HB3  GLU  50           HB3      GLU  50  -7.994 -19.877  -0.743
  412    HG2  GLU  50           HG2      GLU  50  -8.486 -21.896   0.500
  413    HG3  GLU  50           HG3      GLU  50  -8.224 -21.082   2.043
  414    H    ASN  51           H        ASN  51  -5.766 -21.131  -2.080
  415    HA   ASN  51           HA       ASN  51  -5.984 -23.951  -1.462
  416    HB2  ASN  51           HB2      ASN  51  -6.581 -23.110  -3.683
  417    HB3  ASN  51           HB3      ASN  51  -4.933 -22.530  -3.944
  418   HD21  ASN  51          HD22      ASN  51  -3.534 -23.971  -4.999
  419   HD22  ASN  51          HD21      ASN  51  -3.795 -25.689  -5.100
  420    H    ALA  52           H        ALA  52  -3.209 -21.798  -2.113
  421    HA   ALA  52           HA       ALA  52  -1.229 -23.918  -1.958
  422    HB1  ALA  52           HB3      ALA  52  -0.858 -20.917  -1.552
  423    HB2  ALA  52           HB1      ALA  52   0.405 -22.107  -1.903
  424    HB3  ALA  52           HB2      ALA  52  -0.818 -21.741  -3.134
  425    H    LEU  53           H        LEU  53  -2.665 -21.568   0.297
  426    HA   LEU  53           HA       LEU  53  -1.032 -22.030   2.536
  427    HG   LEU  53           HG       LEU  53  -2.815 -21.415   4.795
  428    HB2  LEU  53           HB2      LEU  53  -2.859 -20.242   1.997
  429    HB3  LEU  53           HB3      LEU  53  -4.016 -21.419   2.584
  430   HD11  LEU  53          HD11      LEU  53  -1.229 -19.148   3.508
  431   HD12  LEU  53          HD12      LEU  53  -1.304 -19.464   5.254
  432   HD13  LEU  53          HD13      LEU  53  -0.577 -20.661   4.180
  433   HD21  LEU  53          HD23      LEU  53  -3.705 -19.177   5.435
  434   HD22  LEU  53          HD21      LEU  53  -3.779 -18.720   3.718
  435   HD23  LEU  53          HD22      LEU  53  -4.809 -20.026   4.343
  436    H    GLN  54           H        GLN  54  -4.190 -23.540   1.626
  437    HA   GLN  54           HA       GLN  54  -4.247 -25.473   3.714
  438    HB2  GLN  54           HB2      GLN  54  -5.402 -25.375   0.908
  439    HB3  GLN  54           HB3      GLN  54  -5.632 -26.778   1.945
  440    HG2  GLN  54           HG2      GLN  54  -6.743 -25.480   3.652
  441    HG3  GLN  54           HG3      GLN  54  -6.394 -23.965   2.806
  442   HE21  GLN  54          HE22      GLN  54  -7.271 -23.738   0.591
  443   HE22  GLN  54          HE21      GLN  54  -8.828 -24.466   0.197
  444    H    SER  55           H        SER  55  -2.766 -25.685   0.422
  445    HA   SER  55           HA       SER  55  -1.953 -28.396   0.670
  446    HG   SER  55           HG       SER  55  -2.786 -26.273  -1.487
  447    HB2  SER  55           HB2      SER  55  -0.618 -26.159  -0.911
  448    HB3  SER  55           HB3      SER  55  -0.462 -27.901  -1.195
  449    H    PHE  56           H        PHE  56  -0.320 -25.369   1.689
  450    HA   PHE  56           HA       PHE  56   2.082 -26.565   2.631
  451    HD1  PHE  56           HD2      PHE  56   4.218 -24.535   3.463
  452    HD2  PHE  56           HD1      PHE  56   0.555 -23.691   5.583
  453    HE1  PHE  56           HE2      PHE  56   5.519 -23.612   5.362
  454    HE2  PHE  56           HE1      PHE  56   1.860 -22.745   7.454
  455    HZ   PHE  56           HZ       PHE  56   4.343 -22.650   7.322
  456    HB2  PHE  56           HB2      PHE  56   2.047 -24.262   2.274
  457    HB3  PHE  56           HB3      PHE  56   0.579 -24.005   3.170
  458    H    VAL  57           H        VAL  57  -1.136 -25.974   4.308
  459    HA   VAL  57           HA       VAL  57  -0.209 -27.147   6.729
  460    HB   VAL  57           HB       VAL  57  -3.093 -27.250   5.781
  461   HG11  VAL  57          HG11      VAL  57  -3.591 -27.294   8.186
  462   HG12  VAL  57          HG12      VAL  57  -2.531 -28.648   7.795
  463   HG13  VAL  57          HG13      VAL  57  -1.861 -27.212   8.579
  464   HG21  VAL  57          HG23      VAL  57  -2.590 -24.941   5.690
  465   HG22  VAL  57          HG21      VAL  57  -3.273 -25.162   7.289
  466   HG23  VAL  57          HG22      VAL  57  -1.510 -25.009   7.092
  467    H    GLU  58           H        GLU  58  -1.699 -28.689   3.813
  468    HA   GLU  58           HA       GLU  58  -1.870 -31.318   4.821
  469    HB2  GLU  58           HB2      GLU  58  -1.283 -30.351   2.003
  470    HB3  GLU  58           HB3      GLU  58  -1.561 -32.031   2.408
  471    HG2  GLU  58           HG2      GLU  58  -3.598 -29.844   2.984
  472    HG3  GLU  58           HG3      GLU  58  -3.536 -30.747   1.477
  473    H    ALA  59           H        ALA  59   0.900 -29.594   3.461
  474    HA   ALA  59           HA       ALA  59   2.720 -31.817   3.582
  475    HB1  ALA  59           HB3      ALA  59   3.127 -29.856   2.142
  476    HB2  ALA  59           HB1      ALA  59   3.357 -28.837   3.583
  477    HB3  ALA  59           HB2      ALA  59   4.481 -30.162   3.245
  478    H    VAL  60           H        VAL  60   1.989 -29.120   5.860
  479    HA   VAL  60           HA       VAL  60   3.886 -29.838   7.856
  480    HB   VAL  60           HB       VAL  60   1.233 -28.362   8.004
  481   HG11  VAL  60          HG11      VAL  60   1.713 -29.250  10.259
  482   HG12  VAL  60          HG12      VAL  60   3.355 -28.591  10.172
  483   HG13  VAL  60          HG13      VAL  60   1.946 -27.507  10.196
  484   HG21  VAL  60          HG23      VAL  60   3.148 -27.285   6.711
  485   HG22  VAL  60          HG21      VAL  60   2.624 -26.365   8.121
  486   HG23  VAL  60          HG22      VAL  60   4.103 -27.348   8.187
  487    H    LYS  61           H        LYS  61   0.619 -31.206   7.143
  488    HA   LYS  61           HA       LYS  61   0.460 -32.747   9.517
  489    HB2  LYS  61           HB2      LYS  61  -0.542 -33.731   6.816
  490    HB3  LYS  61           HB3      LYS  61  -1.052 -34.208   8.434
  491    HG2  LYS  61           HG2      LYS  61  -1.786 -31.748   8.726
  492    HG3  LYS  61           HG3      LYS  61  -1.645 -31.642   6.959
  493    HD2  LYS  61           HD2      LYS  61  -3.318 -33.387   6.665
  494    HD3  LYS  61           HD3      LYS  61  -3.280 -33.787   8.383
  495    HE2  LYS  61           HE2      LYS  61  -5.292 -32.593   7.983
  496    HE3  LYS  61           HE3      LYS  61  -4.232 -31.577   8.962
  497    HZ1  LYS  61           HZ3      LYS  61  -4.589 -31.326   6.023
  498    HZ2  LYS  61           HZ1      LYS  61  -5.347 -30.387   7.134
  499    HZ3  LYS  61           HZ2      LYS  61  -3.718 -30.308   6.968
  500    H    ASN  62           H        ASN  62   2.320 -33.350   6.523
  501    HA   ASN  62           HA       ASN  62   3.056 -36.037   7.300
  502    HB2  ASN  62           HB2      ASN  62   3.075 -35.226   4.919
  503    HB3  ASN  62           HB3      ASN  62   4.457 -34.199   5.312
  504   HD21  ASN  62          HD22      ASN  62   6.559 -35.250   5.791
  505   HD22  ASN  62          HD21      ASN  62   6.799 -36.923   5.343
  506    H    GLY  63           H        GLY  63   4.523 -32.809   7.450
  507    HA2  GLY  63           HA2      GLY  63   6.195 -31.951   8.829
  508    HA3  GLY  63           HA3      GLY  63   6.310 -33.506   9.666
  509    H    SER  64           H        SER  64   8.691 -32.682   9.324
  510    HA   SER  64           HA       SER  64   9.954 -33.001   6.809
  511    HG   SER  64           HG       SER  64  10.318 -32.566  10.357
  512    HB2  SER  64           HB2      SER  64  11.664 -33.693   9.079
  513    HB3  SER  64           HB3      SER  64  11.779 -32.344   7.949
  514    HA   PRO  65           HA       PRO  65  10.355 -37.345   6.137
  515    HB2  PRO  65           HB2      PRO  65  13.360 -37.034   6.293
  516    HB3  PRO  65           HB3      PRO  65  12.384 -37.909   5.072
  517    HG2  PRO  65           HG2      PRO  65  13.357 -35.442   4.520
  518    HG3  PRO  65           HG3      PRO  65  11.671 -35.859   4.069
  519    HD2  PRO  65           HD2      PRO  65  12.642 -34.264   6.445
  520    HD3  PRO  65           HD3      PRO  65  11.250 -33.959   5.361
  521    H    PHE  66           H        PHE  66  12.367 -36.078   8.768
  522    HA   PHE  66           HA       PHE  66  12.558 -38.701  10.089
  523    HD1  PHE  66           HD2      PHE  66  15.118 -39.300   9.858
  524    HD2  PHE  66           HD1      PHE  66  14.918 -35.041   9.175
  525    HE1  PHE  66           HE2      PHE  66  16.885 -39.489   8.126
  526    HE2  PHE  66           HE1      PHE  66  16.681 -35.239   7.442
  527    HZ   PHE  66           HZ       PHE  66  17.668 -37.462   6.913
  528    HB2  PHE  66           HB2      PHE  66  13.653 -35.998  10.938
  529    HB3  PHE  66           HB3      PHE  66  14.109 -37.569  11.580
  530    H    SER  67           H        SER  67  10.241 -36.186  10.098
  531    HA   SER  67           HA       SER  67   9.728 -36.108  12.964
  532    HG   SER  67           HG       SER  67  10.370 -34.092  11.831
  533    HB2  SER  67           HB2      SER  67   8.016 -35.096  10.659
  534    HB3  SER  67           HB3      SER  67   8.002 -34.554  12.347
  535    H    LYS  68           H        LYS  68   7.577 -36.606  13.769
  536    HA   LYS  68           HA       LYS  68   5.814 -38.289  12.162
  537    HB2  LYS  68           HB2      LYS  68   7.103 -40.037  13.276
  538    HB3  LYS  68           HB3      LYS  68   6.894 -39.262  14.842
  539    HG2  LYS  68           HG2      LYS  68   5.430 -41.199  14.606
  540    HG3  LYS  68           HG3      LYS  68   4.495 -39.724  14.827
  541    HD2  LYS  68           HD2      LYS  68   4.007 -39.660  12.384
  542    HD3  LYS  68           HD3      LYS  68   4.978 -41.136  12.164
  543    HE2  LYS  68           HE2      LYS  68   3.445 -42.348  13.705
  544    HE3  LYS  68           HE3      LYS  68   2.499 -40.869  13.931
  545    HZ1  LYS  68           HZ3      LYS  68   1.941 -40.937  11.574
  546    HZ2  LYS  68           HZ1      LYS  68   2.825 -42.298  11.354
  547    HZ3  LYS  68           HZ2      LYS  68   1.495 -42.330  12.292
  548    H    VAL  69           H        VAL  69   4.457 -36.536  12.126
  549    HA   VAL  69           HA       VAL  69   3.572 -35.054  14.442
  550    HB   VAL  69           HB       VAL  69   2.288 -35.606  11.729
  551   HG11  VAL  69          HG11      VAL  69   0.981 -33.510  12.155
  552   HG12  VAL  69          HG12      VAL  69   0.554 -34.826  13.249
  553   HG13  VAL  69          HG13      VAL  69   1.593 -33.507  13.824
  554   HG21  VAL  69          HG23      VAL  69   3.110 -33.372  11.091
  555   HG22  VAL  69          HG21      VAL  69   3.919 -33.199  12.652
  556   HG23  VAL  69          HG22      VAL  69   4.459 -34.429  11.485
  557    H    THR  70           H        THR  70   1.879 -35.587  15.851
  558    HA   THR  70           HA       THR  70   0.373 -38.110  15.343
  559    HB   THR  70           HB       THR  70   0.317 -38.369  17.803
  560    HG1  THR  70           HG1      THR  70   1.450 -37.028  19.087
  561   HG21  THR  70          HG23      THR  70   2.112 -39.490  16.456
  562   HG22  THR  70          HG21      THR  70   3.174 -38.096  16.751
  563   HG23  THR  70          HG22      THR  70   2.630 -39.107  18.108
  564    H    ASP  71           H        ASP  71   0.200 -34.660  16.028
  565    HA   ASP  71           HA       ASP  71  -2.676 -34.744  15.573
  566    HB2  ASP  71           HB2      ASP  71  -2.576 -35.055  18.035
  567    HB3  ASP  71           HB3      ASP  71  -1.539 -33.634  18.177
  568    H    ILE  72           H        ILE  72  -3.488 -32.584  15.091
  569    HA   ILE  72           HA       ILE  72  -1.634 -30.385  14.845
  570    HB   ILE  72           HB       ILE  72  -1.071 -31.747  12.861
  571   HG12  ILE  72          HG12      ILE  72  -2.452 -29.111  12.233
  572   HG13  ILE  72          HG13      ILE  72  -0.787 -29.362  12.765
  573   HG21  ILE  72          HG21      ILE  72  -2.598 -32.210  11.057
  574   HG22  ILE  72          HG22      ILE  72  -3.297 -32.855  12.534
  575   HG23  ILE  72          HG23      ILE  72  -3.915 -31.330  11.863
  576   HD11  ILE  72          HD13      ILE  72  -0.445 -30.726  10.611
  577   HD12  ILE  72          HD11      ILE  72  -2.028 -30.079  10.103
  578   HD13  ILE  72          HD12      ILE  72  -0.693 -28.974  10.424
  579    H    SER  73           H        SER  73  -2.800 -28.415  14.560
  580    HA   SER  73           HA       SER  73  -5.759 -28.510  14.379
  581    HG   SER  73           HG       SER  73  -5.303 -28.468  17.957
  582    HB2  SER  73           HB2      SER  73  -4.197 -27.029  16.544
  583    HB3  SER  73           HB3      SER  73  -5.952 -27.014  16.315
  584    H    VAL  74           H        VAL  74  -6.636 -26.426  13.717
  585    HA   VAL  74           HA       VAL  74  -4.687 -24.505  12.583
  586    HB   VAL  74           HB       VAL  74  -7.038 -25.728  11.073
  587   HG11  VAL  74          HG11      VAL  74  -6.611 -23.442  10.312
  588   HG12  VAL  74          HG12      VAL  74  -4.871 -23.772  10.174
  589   HG13  VAL  74          HG13      VAL  74  -6.033 -24.568   9.092
  590   HG21  VAL  74          HG23      VAL  74  -5.369 -26.779   9.596
  591   HG22  VAL  74          HG21      VAL  74  -4.060 -26.221  10.665
  592   HG23  VAL  74          HG22      VAL  74  -5.256 -27.410  11.233
  593    H    THR  75           H        THR  75  -5.468 -22.418  12.475
  594    HA   THR  75           HA       THR  75  -8.276 -21.806  13.121
  595    HB   THR  75           HB       THR  75  -5.981 -20.196  14.303
  596    HG1  THR  75           HG1      THR  75  -5.907 -22.267  15.214
  597   HG21  THR  75          HG23      THR  75  -8.106 -18.997  14.244
  598   HG22  THR  75          HG21      THR  75  -8.948 -20.371  14.997
  599   HG23  THR  75          HG22      THR  75  -7.740 -19.439  15.910
  600    H    GLU  76           H        GLU  76  -8.721 -19.499  12.205
  601    HA   GLU  76           HA       GLU  76  -6.767 -18.660  10.175
  602    HB2  GLU  76           HB2      GLU  76  -8.308 -18.754   8.353
  603    HB3  GLU  76           HB3      GLU  76  -8.208 -20.363   9.070
  604    HG2  GLU  76           HG2      GLU  76 -10.364 -20.024  10.201
  605    HG3  GLU  76           HG3      GLU  76 -10.470 -18.380   9.556
  606    H    SER  77           H        SER  77  -7.319 -16.635   9.175
  607    HA   SER  77           HA       SER  77  -9.426 -14.991  10.417
  608    HG   SER  77           HG       SER  77  -6.592 -13.820  12.334
  609    HB2  SER  77           HB2      SER  77  -6.527 -14.066  10.079
  610    HB3  SER  77           HB3      SER  77  -7.897 -13.059  10.565
  611    H    ARG  78           H        ARG  78 -10.562 -14.166   8.687
  612    HA   ARG  78           HA       ARG  78  -9.471 -14.375   5.981
  613    HE   ARG  78           HE       ARG  78 -12.202 -15.428   4.076
  614    HB2  ARG  78           HB2      ARG  78 -11.892 -12.742   6.795
  615    HB3  ARG  78           HB3      ARG  78 -11.494 -13.410   5.214
  616    HG2  ARG  78           HG2      ARG  78 -12.418 -14.931   7.669
  617    HG3  ARG  78           HG3      ARG  78 -13.331 -14.651   6.197
  618    HD2  ARG  78           HD2      ARG  78 -10.775 -16.293   6.346
  619    HD3  ARG  78           HD3      ARG  78 -12.405 -16.965   6.463
  620   HH11  ARG  78          HH22      ARG  78 -11.096 -18.590   5.431
  621   HH12  ARG  78          HH21      ARG  78 -10.878 -19.250   3.808
  622   HH21  ARG  78          HH11      ARG  78 -11.893 -16.511   1.993
  623   HH22  ARG  78          HH12      ARG  78 -11.305 -18.165   2.012
  624    H    SER  79           H        SER  79  -9.600 -11.922   8.536
  625    HA   SER  79           HA       SER  79  -8.524  -9.728   7.042
  626    HG   SER  79           HG       SER  79 -10.184  -9.143  10.211
  627    HB2  SER  79           HB2      SER  79  -8.251 -10.383  10.006
  628    HB3  SER  79           HB3      SER  79  -8.137  -8.789   9.242
  629    H    LEU  80           H        LEU  80  -6.295  -8.929   7.455
  630    HA   LEU  80           HA       LEU  80  -4.256 -11.119   7.502
  631    HG   LEU  80           HG       LEU  80  -6.127 -10.606   4.968
  632    HB2  LEU  80           HB2      LEU  80  -4.465  -8.808   5.529
  633    HB3  LEU  80           HB3      LEU  80  -3.193 -10.023   5.559
  634   HD11  LEU  80          HD11      LEU  80  -3.772 -10.416   3.053
  635   HD12  LEU  80          HD12      LEU  80  -5.472 -10.794   2.656
  636   HD13  LEU  80          HD13      LEU  80  -5.044  -9.191   3.253
  637   HD21  LEU  80          HD23      LEU  80  -4.970 -12.575   5.882
  638   HD22  LEU  80          HD21      LEU  80  -5.290 -12.780   4.161
  639   HD23  LEU  80          HD22      LEU  80  -3.646 -12.373   4.715
  640    H    GLU  81           H        GLU  81  -2.090 -10.332   7.782
  641    HA   GLU  81           HA       GLU  81  -1.831  -7.665   9.116
  642    HB2  GLU  81           HB2      GLU  81  -0.484 -10.324   9.708
  643    HB3  GLU  81           HB3      GLU  81   0.091  -8.777  10.348
  644    HG2  GLU  81           HG2      GLU  81  -2.035  -8.372  11.481
  645    HG3  GLU  81           HG3      GLU  81  -2.739  -9.829  10.779
  646    H    GLY  82           H        GLY  82  -0.615  -9.861   6.623
  647    HA2  GLY  82           HA2      GLY  82   0.218  -9.094   4.621
  648    HA3  GLY  82           HA3      GLY  82   0.402  -7.468   5.292
  649    H    HIS  83           H        HIS  83   1.746 -10.694   6.231
  650    HA   HIS  83           HA       HIS  83   4.460  -9.757   6.589
  651    HD1  HIS  83           HD1      HIS  83   1.400 -11.930   7.957
  652    HD2  HIS  83           HD2      HIS  83   5.442 -12.046   9.128
  653    HE1  HIS  83           HE1      HIS  83   1.410 -12.150  10.516
  654    HB2  HIS  83           HB2      HIS  83   3.314 -12.532   6.043
  655    HB3  HIS  83           HB3      HIS  83   4.971 -12.189   6.533
  656    H    HIS  84           H        HIS  84   6.257 -10.214   5.104
  657    HA   HIS  84           HA       HIS  84   5.483 -10.547   2.228
  658    HD1  HIS  84           HD1      HIS  84   3.804  -8.905   2.602
  659    HD2  HIS  84           HD2      HIS  84   6.818  -5.986   2.258
  660    HE1  HIS  84           HE1      HIS  84   2.612  -6.692   2.173
  661    HB2  HIS  84           HB2      HIS  84   7.396  -8.536   3.472
  662    HB3  HIS  84           HB3      HIS  84   7.310  -8.878   1.750
  663    H    ARG  85           H        ARG  85   7.280 -11.911   4.719
  664    HA   ARG  85           HA       ARG  85   8.830 -13.533   2.832
  665    HE   ARG  85           HE       ARG  85  12.470 -11.019   5.770
  666    HB2  ARG  85           HB2      ARG  85  10.062 -12.112   5.249
  667    HB3  ARG  85           HB3      ARG  85  10.831 -13.428   4.359
  668    HG2  ARG  85           HG2      ARG  85  10.810 -12.038   2.288
  669    HG3  ARG  85           HG3      ARG  85  10.150 -10.684   3.219
  670    HD2  ARG  85           HD2      ARG  85  12.812 -12.068   3.757
  671    HD3  ARG  85           HD3      ARG  85  12.625 -10.546   2.894
  672   HH11  ARG  85          HH21      ARG  85  11.690  -8.709   3.188
  673   HH12  ARG  85          HH22      ARG  85  11.565  -7.352   4.244
  674   HH21  ARG  85          HH11      ARG  85  12.300  -9.216   7.178
  675   HH22  ARG  85          HH12      ARG  85  11.926  -7.652   6.563
  676    H    PHE  86           H        PHE  86   9.658 -15.519   4.183
  677    HA   PHE  86           HA       PHE  86   7.779 -16.058   6.407
  678    HD1  PHE  86           HD1      PHE  86   8.963 -19.299   7.265
  679    HD2  PHE  86           HD2      PHE  86   5.519 -17.974   5.042
  680    HE1  PHE  86           HE1      PHE  86   7.481 -20.535   8.810
  681    HE2  PHE  86           HE2      PHE  86   4.040 -19.170   6.622
  682    HZ   PHE  86           HZ       PHE  86   5.015 -20.447   8.512
  683    HB2  PHE  86           HB2      PHE  86   7.683 -17.497   4.223
  684    HB3  PHE  86           HB3      PHE  86   9.134 -18.245   4.872
  685    H    SER  87           H        SER  87   8.774 -16.524   8.391
  686    HA   SER  87           HA       SER  87  11.771 -16.735   8.355
  687    HG   SER  87           HG       SER  87  10.977 -13.337   9.163
  688    HB2  SER  87           HB2      SER  87  10.034 -15.124  10.258
  689    HB3  SER  87           HB3      SER  87  11.804 -15.194  10.235
  690    H    ILE  88           H        ILE  88  12.750 -18.144   9.722
  691    HA   ILE  88           HA       ILE  88  11.188 -19.722  11.645
  692    HB   ILE  88           HB       ILE  88  14.186 -19.479  11.128
  693   HG12  ILE  88          HG12      ILE  88  12.287 -21.780  10.439
  694   HG13  ILE  88          HG13      ILE  88  12.753 -20.536   9.292
  695   HG21  ILE  88          HG21      ILE  88  14.360 -21.545  12.558
  696   HG22  ILE  88          HG22      ILE  88  13.810 -20.143  13.456
  697   HG23  ILE  88          HG23      ILE  88  12.633 -21.371  12.953
  698   HD11  ILE  88          HD13      ILE  88  15.128 -21.130   9.535
  699   HD12  ILE  88          HD11      ILE  88  14.660 -22.511  10.566
  700   HD13  ILE  88          HD12      ILE  88  14.121 -22.436   8.882
  701    H    VAL  89           H        VAL  89  11.089 -19.258  13.814
  702    HA   VAL  89           HA       VAL  89  12.363 -16.801  14.886
  703    HB   VAL  89           HB       VAL  89   9.433 -17.671  14.937
  704   HG11  VAL  89          HG11      VAL  89   9.883 -16.888  17.188
  705   HG12  VAL  89          HG12      VAL  89  10.709 -15.431  16.559
  706   HG13  VAL  89          HG13      VAL  89   8.967 -15.668  16.323
  707   HG21  VAL  89          HG23      VAL  89   9.029 -15.415  13.987
  708   HG22  VAL  89          HG21      VAL  89  10.779 -15.119  13.951
  709   HG23  VAL  89          HG22      VAL  89  10.058 -16.386  12.936
  710    H    TYR  90           H        TYR  90  12.527 -16.910  17.245
  711    HA   TYR  90           HA       TYR  90  12.675 -19.697  18.305
  712    HD1  TYR  90           HD1      TYR  90  15.401 -21.002  17.965
  713    HD2  TYR  90           HD2      TYR  90  15.118 -17.062  16.230
  714    HE1  TYR  90           HE1      TYR  90  16.555 -21.820  15.919
  715    HE2  TYR  90           HE2      TYR  90  16.249 -17.868  14.186
  716    HH   TYR  90           HH       TYR  90  17.240 -19.687  13.111
  717    HB2  TYR  90           HB2      TYR  90  14.687 -17.444  18.645
  718    HB3  TYR  90           HB3      TYR  90  14.806 -19.051  19.337
  719    H    SER  91           H        SER  91  11.280 -16.637  18.758
  720    HA   SER  91           HA       SER  91  11.261 -16.339  21.577
  721    HG   SER  91           HG       SER  91  10.241 -13.614  19.436
  722    HB2  SER  91           HB2      SER  91   9.067 -15.628  19.586
  723    HB3  SER  91           HB3      SER  91   9.382 -14.880  21.158
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -6.130 -12.436  -1.011
    2    H2   MET   1           H2       MET   1  -7.070 -13.673  -0.493
    3    H3   MET   1           H3       MET   1  -7.324 -12.166   0.083
    4    HA   MET   1           HA       MET   1  -4.923 -13.798   0.556
    5    HB2  MET   1           HB2      MET   1  -5.638 -10.975   1.440
    6    HB3  MET   1           HB3      MET   1  -4.543 -11.984   2.377
    7    HG2  MET   1           HG2      MET   1  -4.139 -11.249  -0.540
    8    HG3  MET   1           HG3      MET   1  -3.339 -10.493   0.828
    9    HE1  MET   1           HE3      MET   1  -0.759 -13.075   2.057
   10    HE2  MET   1           HE1      MET   1  -1.377 -11.416   2.149
   11    HE3  MET   1           HE2      MET   1  -2.349 -12.767   2.784
   12    H    LEU   2           H        LEU   2  -4.696 -14.732   2.608
   13    HA   LEU   2           HA       LEU   2  -6.921 -14.755   4.516
   14    HG   LEU   2           HG       LEU   2  -6.524 -17.893   5.238
   15    HB2  LEU   2           HB2      LEU   2  -7.465 -16.431   2.733
   16    HB3  LEU   2           HB3      LEU   2  -5.879 -17.153   2.935
   17   HD11  LEU   2          HD11      LEU   2  -9.294 -16.860   4.463
   18   HD12  LEU   2          HD12      LEU   2  -8.880 -17.780   5.927
   19   HD13  LEU   2          HD13      LEU   2  -8.252 -16.147   5.709
   20   HD21  LEU   2          HD23      LEU   2  -8.192 -19.595   4.465
   21   HD22  LEU   2          HD21      LEU   2  -8.366 -18.702   2.947
   22   HD23  LEU   2          HD22      LEU   2  -6.803 -19.431   3.379
   23    H    GLN   3           H        GLN   3  -6.156 -15.791   6.534
   24    HA   GLN   3           HA       GLN   3  -3.214 -16.204   6.761
   25    HB2  GLN   3           HB2      GLN   3  -3.852 -14.087   7.862
   26    HB3  GLN   3           HB3      GLN   3  -5.158 -14.905   8.714
   27    HG2  GLN   3           HG2      GLN   3  -3.446 -16.315   9.898
   28    HG3  GLN   3           HG3      GLN   3  -2.187 -15.374   9.106
   29   HE21  GLN   3          HE22      GLN   3  -2.126 -12.977   9.634
   30   HE22  GLN   3          HE21      GLN   3  -2.624 -12.511  11.265
   31    H    TYR   4           H        TYR   4  -2.678 -18.072   7.777
   32    HA   TYR   4           HA       TYR   4  -4.754 -19.700   9.185
   33    HD1  TYR   4           HD2      TYR   4  -5.513 -19.942   6.858
   34    HD2  TYR   4           HD1      TYR   4  -2.842 -23.305   7.279
   35    HE1  TYR   4           HE2      TYR   4  -6.939 -21.261   5.351
   36    HE2  TYR   4           HE1      TYR   4  -4.254 -24.613   5.732
   37    HH   TYR   4           HH       TYR   4  -7.262 -23.306   4.281
   38    HB2  TYR   4           HB2      TYR   4  -2.250 -20.504   7.644
   39    HB3  TYR   4           HB3      TYR   4  -2.894 -21.494   8.930
   40    H    ARG   5           H        ARG   5  -4.133 -20.385  11.220
   41    HA   ARG   5           HA       ARG   5  -1.310 -19.983  12.065
   42    HE   ARG   5           HE       ARG   5  -0.439 -19.763  17.004
   43    HB2  ARG   5           HB2      ARG   5  -2.898 -18.551  13.468
   44    HB3  ARG   5           HB3      ARG   5  -3.699 -20.049  13.955
   45    HG2  ARG   5           HG2      ARG   5  -1.388 -20.827  14.842
   46    HG3  ARG   5           HG3      ARG   5  -0.845 -19.157  14.543
   47    HD2  ARG   5           HD2      ARG   5  -2.688 -18.349  16.036
   48    HD3  ARG   5           HD3      ARG   5  -3.175 -20.040  16.308
   49   HH11  ARG   5          HH21      ARG   5  -3.617 -18.680  18.157
   50   HH12  ARG   5          HH22      ARG   5  -3.181 -18.691  19.822
   51   HH21  ARG   5          HH11      ARG   5   0.142 -19.844  19.265
   52   HH22  ARG   5          HH12      ARG   5  -1.007 -19.327  20.451
   53    H    ILE   6           H        ILE   6  -0.441 -21.996  12.802
   54    HA   ILE   6           HA       ILE   6  -2.269 -24.336  12.756
   55    HB   ILE   6           HB       ILE   6   0.473 -24.522  11.516
   56   HG12  ILE   6          HG12      ILE   6  -2.033 -23.814   9.932
   57   HG13  ILE   6          HG13      ILE   6  -0.638 -22.760  10.174
   58   HG21  ILE   6          HG21      ILE   6  -2.070 -26.136  11.061
   59   HG22  ILE   6          HG22      ILE   6  -0.439 -26.529  10.472
   60   HG23  ILE   6          HG23      ILE   6  -0.777 -26.581  12.191
   61   HD11  ILE   6          HD13      ILE   6  -0.510 -23.674   7.982
   62   HD12  ILE   6          HD11      ILE   6   0.802 -24.363   8.951
   63   HD13  ILE   6          HD12      ILE   6  -0.642 -25.332   8.574
   64    H    ILE   7           H        ILE   7  -1.654 -25.915  14.252
   65    HA   ILE   7           HA       ILE   7   0.729 -25.419  15.953
   66    HB   ILE   7           HB       ILE   7  -2.084 -26.102  16.911
   67   HG12  ILE   7          HG12      ILE   7  -1.987 -23.699  16.320
   68   HG13  ILE   7          HG13      ILE   7  -2.234 -23.978  18.025
   69   HG21  ILE   7          HG21      ILE   7  -0.455 -27.199  18.305
   70   HG22  ILE   7          HG22      ILE   7   0.512 -25.718  18.457
   71   HG23  ILE   7          HG23      ILE   7  -1.100 -25.820  19.202
   72   HD11  ILE   7          HD13      ILE   7   0.475 -23.280  16.830
   73   HD12  ILE   7          HD11      ILE   7  -0.662 -22.114  17.509
   74   HD13  ILE   7          HD12      ILE   7   0.054 -23.353  18.554
   75    H    VAL   8           H        VAL   8   1.791 -27.393  16.388
   76    HA   VAL   8           HA       VAL   8   0.518 -29.886  15.355
   77    HB   VAL   8           HB       VAL   8   3.413 -29.319  14.756
   78   HG11  VAL   8          HG11      VAL   8   2.962 -30.783  12.829
   79   HG12  VAL   8          HG12      VAL   8   2.480 -31.545  14.347
   80   HG13  VAL   8          HG13      VAL   8   1.245 -30.854  13.275
   81   HG21  VAL   8          HG23      VAL   8   2.412 -27.290  13.802
   82   HG22  VAL   8          HG21      VAL   8   2.918 -28.397  12.539
   83   HG23  VAL   8          HG22      VAL   8   1.194 -28.272  12.951
   84    H    ASP   9           H        ASP   9   1.247 -31.803  16.403
   85    HA   ASP   9           HA       ASP   9   3.303 -31.544  18.519
   86    HB2  ASP   9           HB2      ASP   9   1.034 -31.208  19.555
   87    HB3  ASP   9           HB3      ASP   9   0.552 -32.769  18.901
   88    H    GLY  10           H        GLY  10   4.155 -33.623  19.155
   89    HA2  GLY  10           HA2      GLY  10   3.938 -36.138  18.606
   90    HA3  GLY  10           HA3      GLY  10   4.157 -35.597  16.935
   91    H    ARG  11           H        ARG  11   6.133 -36.724  16.788
   92    HA   ARG  11           HA       ARG  11   8.482 -35.693  18.268
   93    HE   ARG  11           HE       ARG  11  11.697 -35.256  17.902
   94    HB2  ARG  11           HB2      ARG  11   8.397 -38.117  17.666
   95    HB3  ARG  11           HB3      ARG  11   8.234 -37.681  15.972
   96    HG2  ARG  11           HG2      ARG  11  10.465 -38.343  16.311
   97    HG3  ARG  11           HG3      ARG  11  10.507 -36.608  16.065
   98    HD2  ARG  11           HD2      ARG  11  10.550 -37.883  18.829
   99    HD3  ARG  11           HD3      ARG  11  12.005 -37.648  17.877
  100   HH11  ARG  11          HH21      ARG  11   9.861 -37.041  20.383
  101   HH12  ARG  11          HH22      ARG  11   9.840 -35.722  21.490
  102   HH21  ARG  11          HH11      ARG  11  11.706 -33.571  19.353
  103   HH22  ARG  11          HH12      ARG  11  10.912 -33.686  20.896
  104    H    VAL  12           H        VAL  12   7.832 -33.504  17.674
  105    HA   VAL  12           HA       VAL  12   8.301 -32.807  14.815
  106    HB   VAL  12           HB       VAL  12   6.578 -31.086  15.071
  107   HG11  VAL  12          HG11      VAL  12   5.992 -33.337  14.209
  108   HG12  VAL  12          HG12      VAL  12   5.500 -33.821  15.836
  109   HG13  VAL  12          HG13      VAL  12   4.638 -32.515  15.012
  110   HG21  VAL  12          HG23      VAL  12   5.910 -32.289  17.791
  111   HG22  VAL  12          HG21      VAL  12   6.726 -30.739  17.556
  112   HG23  VAL  12          HG22      VAL  12   5.079 -30.965  16.957
  113    H    GLN  13           H        GLN  13  10.124 -32.727  17.350
  114    HA   GLN  13           HA       GLN  13  11.312 -30.150  16.582
  115    HB2  GLN  13           HB2      GLN  13  10.985 -30.990  19.502
  116    HB3  GLN  13           HB3      GLN  13  11.936 -29.636  18.889
  117    HG2  GLN  13           HG2      GLN  13   9.766 -28.665  17.967
  118    HG3  GLN  13           HG3      GLN  13   8.907 -29.914  18.862
  119   HE21  GLN  13          HE22      GLN  13   8.131 -27.444  19.592
  120   HE22  GLN  13          HE21      GLN  13   8.890 -26.904  21.063
  121    H    GLY  14           H        GLY  14  13.571 -30.307  16.594
  122    HA2  GLY  14           HA2      GLY  14  15.655 -31.266  16.840
  123    HA3  GLY  14           HA3      GLY  14  14.977 -32.592  17.804
  124    H    VAL  15           H        VAL  15  13.726 -31.543  14.635
  125    HA   VAL  15           HA       VAL  15  14.705 -34.035  13.329
  126    HB   VAL  15           HB       VAL  15  12.378 -34.478  12.524
  127   HG11  VAL  15          HG11      VAL  15  12.614 -34.651  15.546
  128   HG12  VAL  15          HG12      VAL  15  11.648 -35.663  14.451
  129   HG13  VAL  15          HG13      VAL  15  13.410 -35.751  14.395
  130   HG21  VAL  15          HG23      VAL  15  10.458 -33.602  13.800
  131   HG22  VAL  15          HG21      VAL  15  11.527 -32.491  14.672
  132   HG23  VAL  15          HG22      VAL  15  11.306 -32.327  12.917
  133    H    GLY  16           H        GLY  16  14.194 -30.681  13.137
  134    HA2  GLY  16           HA2      GLY  16  15.138 -29.409  11.394
  135    HA3  GLY  16           HA3      GLY  16  14.830 -30.714  10.231
  136    H    PHE  17           H        PHE  17  12.416 -29.771  12.713
  137    HA   PHE  17           HA       PHE  17  10.411 -29.773  10.635
  138    HD1  PHE  17           HD2      PHE  17   7.944 -27.661  11.801
  139    HD2  PHE  17           HD1      PHE  17   8.520 -31.821  12.734
  140    HE1  PHE  17           HE2      PHE  17   5.592 -28.139  11.159
  141    HE2  PHE  17           HE1      PHE  17   6.181 -32.301  12.062
  142    HZ   PHE  17           HZ       PHE  17   4.715 -30.461  11.257
  143    HB2  PHE  17           HB2      PHE  17  10.229 -30.314  13.213
  144    HB3  PHE  17           HB3      PHE  17   9.895 -28.601  13.366
  145    H    ARG  18           H        ARG  18  12.025 -27.120  12.545
  146    HA   ARG  18           HA       ARG  18  10.389 -25.036  11.440
  147    HE   ARG  18           HE       ARG  18  13.247 -25.970  14.887
  148    HB2  ARG  18           HB2      ARG  18  13.226 -25.053  12.546
  149    HB3  ARG  18           HB3      ARG  18  12.416 -23.577  12.031
  150    HG2  ARG  18           HG2      ARG  18  10.718 -23.744  13.677
  151    HG3  ARG  18           HG3      ARG  18  11.114 -25.418  14.073
  152    HD2  ARG  18           HD2      ARG  18  13.053 -23.116  14.520
  153    HD3  ARG  18           HD3      ARG  18  11.881 -23.659  15.736
  154   HH11  ARG  18          HH21      ARG  18  14.200 -22.900  16.453
  155   HH12  ARG  18          HH22      ARG  18  15.387 -23.643  17.463
  156   HH21  ARG  18          HH11      ARG  18  14.576 -26.938  16.340
  157   HH22  ARG  18          HH12      ARG  18  15.712 -26.020  17.326
  158    H    TYR  19           H        TYR  19  13.539 -26.368  10.298
  159    HA   TYR  19           HA       TYR  19  13.762 -24.588   8.086
  160    HD1  TYR  19           HD2      TYR  19  16.335 -24.058   7.467
  161    HD2  TYR  19           HD1      TYR  19  16.024 -26.763  10.819
  162    HE1  TYR  19           HE2      TYR  19  17.992 -22.701   8.711
  163    HE2  TYR  19           HE1      TYR  19  17.678 -25.417  12.067
  164    HH   TYR  19           HH       TYR  19  19.070 -23.546  12.038
  165    HB2  TYR  19           HB2      TYR  19  14.958 -27.317   8.702
  166    HB3  TYR  19           HB3      TYR  19  15.345 -26.402   7.260
  167    H    PHE  20           H        PHE  20  12.346 -27.898   8.367
  168    HA   PHE  20           HA       PHE  20  11.656 -28.226   5.658
  169    HD1  PHE  20           HD1      PHE  20  10.611 -30.754   4.840
  170    HD2  PHE  20           HD2      PHE  20   8.017 -29.240   7.942
  171    HE1  PHE  20           HE1      PHE  20   8.636 -31.679   3.653
  172    HE2  PHE  20           HE2      PHE  20   6.049 -30.147   6.733
  173    HZ   PHE  20           HZ       PHE  20   6.355 -31.380   4.599
  174    HB2  PHE  20           HB2      PHE  20  11.468 -30.076   7.176
  175    HB3  PHE  20           HB3      PHE  20  10.384 -29.199   8.242
  176    H    VAL  21           H        VAL  21   9.650 -26.745   8.311
  177    HA   VAL  21           HA       VAL  21   7.507 -26.064   6.578
  178    HB   VAL  21           HB       VAL  21   8.431 -24.883   9.222
  179   HG11  VAL  21          HG11      VAL  21   5.746 -24.531   7.827
  180   HG12  VAL  21          HG12      VAL  21   6.148 -23.974   9.465
  181   HG13  VAL  21          HG13      VAL  21   6.950 -23.248   8.070
  182   HG21  VAL  21          HG23      VAL  21   7.718 -27.282   9.308
  183   HG22  VAL  21          HG21      VAL  21   6.571 -26.235  10.148
  184   HG23  VAL  21          HG22      VAL  21   6.199 -26.855   8.524
  185    H    GLN  22           H        GLN  22  10.494 -24.219   7.428
  186    HA   GLN  22           HA       GLN  22   9.782 -21.825   6.116
  187    HB2  GLN  22           HB2      GLN  22  11.767 -22.452   7.683
  188    HB3  GLN  22           HB3      GLN  22  12.620 -22.926   6.223
  189    HG2  GLN  22           HG2      GLN  22  11.477 -20.172   6.868
  190    HG3  GLN  22           HG3      GLN  22  13.153 -20.642   7.057
  191   HE21  GLN  22          HE22      GLN  22  11.873 -18.489   5.379
  192   HE22  GLN  22          HE21      GLN  22  12.506 -18.782   3.772
  193    H    MET  23           H        MET  23  11.379 -24.799   4.831
  194    HA   MET  23           HA       MET  23  11.659 -23.702   2.164
  195    HB2  MET  23           HB2      MET  23  11.799 -26.550   3.278
  196    HB3  MET  23           HB3      MET  23  12.153 -26.127   1.598
  197    HG2  MET  23           HG2      MET  23  14.018 -24.734   2.251
  198    HG3  MET  23           HG3      MET  23  13.606 -24.875   3.955
  199    HE1  MET  23           HE3      MET  23  15.043 -26.697   0.798
  200    HE2  MET  23           HE1      MET  23  15.436 -28.313   1.425
  201    HE3  MET  23           HE2      MET  23  13.739 -27.834   1.224
  202    H    GLU  24           H        GLU  24   9.088 -25.719   3.763
  203    HA   GLU  24           HA       GLU  24   7.645 -26.153   1.320
  204    HB2  GLU  24           HB2      GLU  24   6.775 -26.105   4.239
  205    HB3  GLU  24           HB3      GLU  24   5.700 -26.482   2.901
  206    HG2  GLU  24           HG2      GLU  24   8.146 -28.070   3.744
  207    HG3  GLU  24           HG3      GLU  24   6.459 -28.536   3.889
  208    H    ALA  25           H        ALA  25   7.617 -23.489   3.741
  209    HA   ALA  25           HA       ALA  25   5.500 -22.019   2.517
  210    HB1  ALA  25           HB3      ALA  25   7.893 -21.010   4.117
  211    HB2  ALA  25           HB1      ALA  25   6.437 -20.085   3.722
  212    HB3  ALA  25           HB2      ALA  25   6.322 -21.500   4.784
  213    H    ASP  26           H        ASP  26   9.077 -22.012   1.961
  214    HA   ASP  26           HA       ASP  26   9.124 -20.039  -0.056
  215    HB2  ASP  26           HB2      ASP  26  11.169 -21.064   1.006
  216    HB3  ASP  26           HB3      ASP  26  10.852 -22.538   0.121
  217    H    LYS  27           H        LYS  27   8.661 -23.573  -0.334
  218    HA   LYS  27           HA       LYS  27   8.209 -23.693  -3.134
  219    HB2  LYS  27           HB2      LYS  27   8.894 -25.625  -2.154
  220    HB3  LYS  27           HB3      LYS  27   7.898 -25.452  -0.741
  221    HG2  LYS  27           HG2      LYS  27   6.665 -26.248  -3.391
  222    HG3  LYS  27           HG3      LYS  27   7.474 -27.395  -2.322
  223    HD2  LYS  27           HD2      LYS  27   5.964 -26.631  -0.423
  224    HD3  LYS  27           HD3      LYS  27   5.081 -25.685  -1.599
  225    HE2  LYS  27           HE2      LYS  27   3.856 -27.666  -1.259
  226    HE3  LYS  27           HE3      LYS  27   4.569 -27.787  -2.876
  227    HZ1  LYS  27           HZ3      LYS  27   5.666 -29.047  -0.415
  228    HZ2  LYS  27           HZ1      LYS  27   4.782 -29.840  -1.552
  229    HZ3  LYS  27           HZ2      LYS  27   6.257 -29.256  -1.935
  230    H    ARG  28           H        ARG  28   6.156 -22.256  -0.775
  231    HA   ARG  28           HA       ARG  28   3.904 -22.260  -2.743
  232    HE   ARG  28           HE       ARG  28   3.850 -24.244  -2.778
  233    HB2  ARG  28           HB2      ARG  28   3.979 -21.882   0.282
  234    HB3  ARG  28           HB3      ARG  28   2.554 -21.716  -0.719
  235    HG2  ARG  28           HG2      ARG  28   4.042 -24.315  -0.253
  236    HG3  ARG  28           HG3      ARG  28   2.612 -23.779   0.583
  237    HD2  ARG  28           HD2      ARG  28   1.895 -25.346  -1.018
  238    HD3  ARG  28           HD3      ARG  28   1.347 -23.757  -1.566
  239   HH11  ARG  28          HH21      ARG  28   0.590 -25.655  -2.905
  240   HH12  ARG  28          HH22      ARG  28   0.761 -26.196  -4.544
  241   HH21  ARG  28          HH11      ARG  28   4.093 -24.939  -4.867
  242   HH22  ARG  28          HH12      ARG  28   2.829 -25.779  -5.698
  243    H    LYS  29           H        LYS  29   6.492 -20.409  -1.837
  244    HA   LYS  29           HA       LYS  29   6.925 -18.299  -1.237
  245    HB2  LYS  29           HB2      LYS  29   5.099 -17.745  -3.607
  246    HB3  LYS  29           HB3      LYS  29   6.248 -16.594  -2.925
  247    HG2  LYS  29           HG2      LYS  29   7.005 -19.271  -4.175
  248    HG3  LYS  29           HG3      LYS  29   7.090 -17.703  -4.972
  249    HD2  LYS  29           HD2      LYS  29   8.772 -16.909  -3.373
  250    HD3  LYS  29           HD3      LYS  29   8.677 -18.431  -2.465
  251    HE2  LYS  29           HE2      LYS  29   9.403 -19.691  -4.457
  252    HE3  LYS  29           HE3      LYS  29   9.544 -18.179  -5.370
  253    HZ1  LYS  29           HZ3      LYS  29  11.249 -17.478  -3.783
  254    HZ2  LYS  29           HZ1      LYS  29  11.108 -18.883  -2.942
  255    HZ3  LYS  29           HZ2      LYS  29  11.673 -18.891  -4.479
  256    H    LEU  30           H        LEU  30   5.189 -19.275   0.538
  257    HA   LEU  30           HA       LEU  30   3.063 -17.323   1.115
  258    HG   LEU  30           HG       LEU  30   2.512 -20.100   0.820
  259    HB2  LEU  30           HB2      LEU  30   4.301 -19.685   2.591
  260    HB3  LEU  30           HB3      LEU  30   3.163 -18.606   3.378
  261   HD11  LEU  30          HD11      LEU  30   1.215 -21.649   2.225
  262   HD12  LEU  30          HD12      LEU  30   2.939 -21.709   2.625
  263   HD13  LEU  30          HD13      LEU  30   1.818 -20.844   3.689
  264   HD21  LEU  30          HD23      LEU  30   0.152 -19.632   1.467
  265   HD22  LEU  30          HD21      LEU  30   0.752 -18.607   2.791
  266   HD23  LEU  30          HD22      LEU  30   1.086 -18.183   1.095
  267    H    ALA  31           H        ALA  31   3.163 -16.172   3.231
  268    HA   ALA  31           HA       ALA  31   5.900 -15.408   4.093
  269    HB1  ALA  31           HB3      ALA  31   5.151 -13.106   4.343
  270    HB2  ALA  31           HB1      ALA  31   4.884 -13.598   2.670
  271    HB3  ALA  31           HB2      ALA  31   3.509 -13.529   3.804
  272    H    GLY  32           H        GLY  32   5.925 -14.934   6.493
  273    HA2  GLY  32           HA2      GLY  32   3.903 -15.221   8.341
  274    HA3  GLY  32           HA3      GLY  32   4.108 -16.848   7.700
  275    H    TRP  33           H        TRP  33   4.673 -17.488   9.873
  276    HA   TRP  33           HA       TRP  33   7.525 -17.415  10.149
  277    HD1  TRP  33           HD1      TRP  33   5.225 -18.717  13.346
  278    HE1  TRP  33           HE1      TRP  33   3.372 -17.928  14.883
  279    HE3  TRP  33           HE3      TRP  33   5.837 -13.655  12.814
  280    HZ2  TRP  33           HZ2      TRP  33   2.361 -15.420  15.911
  281    HZ3  TRP  33           HZ3      TRP  33   4.431 -12.093  14.122
  282    HH2  TRP  33           HH2      TRP  33   2.690 -12.960  15.673
  283    HB2  TRP  33           HB2      TRP  33   7.610 -16.921  12.499
  284    HB3  TRP  33           HB3      TRP  33   6.885 -15.590  11.641
  285    H    VAL  34           H        VAL  34   8.340 -19.087  11.654
  286    HA   VAL  34           HA       VAL  34   6.371 -21.062  12.607
  287    HB   VAL  34           HB       VAL  34   7.166 -22.009  10.509
  288   HG11  VAL  34          HG11      VAL  34   9.476 -22.636  10.082
  289   HG12  VAL  34          HG12      VAL  34   9.398 -20.887  10.336
  290   HG13  VAL  34          HG13      VAL  34  10.000 -21.942  11.627
  291   HG21  VAL  34          HG23      VAL  34   7.870 -24.182  11.315
  292   HG22  VAL  34          HG21      VAL  34   8.463 -23.500  12.830
  293   HG23  VAL  34          HG22      VAL  34   6.730 -23.497  12.478
  294    H    LYS  35           H        LYS  35   6.998 -21.997  14.606
  295    HA   LYS  35           HA       LYS  35   9.677 -21.399  15.649
  296    HB2  LYS  35           HB2      LYS  35   8.888 -20.342  17.671
  297    HB3  LYS  35           HB3      LYS  35   8.249 -19.456  16.289
  298    HG2  LYS  35           HG2      LYS  35   6.080 -20.789  16.570
  299    HG3  LYS  35           HG3      LYS  35   6.760 -21.429  18.071
  300    HD2  LYS  35           HD2      LYS  35   5.340 -19.675  18.689
  301    HD3  LYS  35           HD3      LYS  35   6.977 -19.043  18.898
  302    HE2  LYS  35           HE2      LYS  35   6.820 -17.711  16.899
  303    HE3  LYS  35           HE3      LYS  35   5.395 -18.600  16.330
  304    HZ1  LYS  35           HZ3      LYS  35   4.830 -16.435  17.265
  305    HZ2  LYS  35           HZ1      LYS  35   4.123 -17.669  18.108
  306    HZ3  LYS  35           HZ2      LYS  35   5.456 -16.869  18.720
  307    H    ASN  36           H        ASN  36  10.231 -22.726  17.432
  308    HA   ASN  36           HA       ASN  36   8.580 -25.160  17.906
  309    HB2  ASN  36           HB2      ASN  36  11.423 -24.293  18.608
  310    HB3  ASN  36           HB3      ASN  36  10.604 -25.518  19.547
  311   HD21  ASN  36          HD22      ASN  36  12.684 -26.641  18.625
  312   HD22  ASN  36          HD21      ASN  36  12.557 -27.446  17.073
  313    H    ARG  37           H        ARG  37   7.122 -25.009  19.584
  314    HA   ARG  37           HA       ARG  37   7.182 -22.675  21.389
  315    HE   ARG  37           HE       ARG  37   2.936 -24.034  22.629
  316    HB2  ARG  37           HB2      ARG  37   5.364 -25.133  21.232
  317    HB3  ARG  37           HB3      ARG  37   5.229 -23.851  22.437
  318    HG2  ARG  37           HG2      ARG  37   4.889 -22.173  20.612
  319    HG3  ARG  37           HG3      ARG  37   4.965 -23.473  19.415
  320    HD2  ARG  37           HD2      ARG  37   2.626 -22.793  19.957
  321    HD3  ARG  37           HD3      ARG  37   2.937 -24.490  20.302
  322   HH11  ARG  37          HH21      ARG  37   1.990 -21.077  20.769
  323   HH12  ARG  37          HH22      ARG  37   1.602 -20.224  22.220
  324   HH21  ARG  37          HH11      ARG  37   2.414 -22.948  24.377
  325   HH22  ARG  37          HH12      ARG  37   1.767 -21.324  24.354
  326    H    ASP  38           H        ASP  38   7.682 -22.823  23.616
  327    HA   ASP  38           HA       ASP  38   9.708 -24.684  24.351
  328    HB2  ASP  38           HB2      ASP  38   9.526 -22.455  25.351
  329    HB3  ASP  38           HB3      ASP  38   7.955 -22.863  26.047
  330    H    ASP  39           H        ASP  39   6.213 -24.732  24.764
  331    HA   ASP  39           HA       ASP  39   6.099 -26.947  26.555
  332    HB2  ASP  39           HB2      ASP  39   3.737 -27.018  26.096
  333    HB3  ASP  39           HB3      ASP  39   4.272 -25.367  26.351
  334    H    GLY  40           H        GLY  40   7.179 -26.942  23.365
  335    HA2  GLY  40           HA2      GLY  40   8.190 -28.904  22.564
  336    HA3  GLY  40           HA3      GLY  40   6.933 -29.898  23.300
  337    H    ARG  41           H        ARG  41   5.008 -27.639  21.989
  338    HA   ARG  41           HA       ARG  41   4.466 -29.178  19.572
  339    HE   ARG  41           HE       ARG  41   2.035 -26.664  22.692
  340    HB2  ARG  41           HB2      ARG  41   3.320 -26.623  20.768
  341    HB3  ARG  41           HB3      ARG  41   2.711 -27.343  19.280
  342    HG2  ARG  41           HG2      ARG  41   2.170 -29.430  20.426
  343    HG3  ARG  41           HG3      ARG  41   2.824 -28.831  21.952
  344    HD2  ARG  41           HD2      ARG  41   0.485 -27.580  20.469
  345    HD3  ARG  41           HD3      ARG  41   0.343 -28.729  21.812
  346   HH11  ARG  41          HH21      ARG  41  -1.388 -27.069  21.762
  347   HH12  ARG  41          HH22      ARG  41  -1.967 -25.818  22.797
  348   HH21  ARG  41          HH11      ARG  41   1.263 -25.019  24.068
  349   HH22  ARG  41          HH12      ARG  41  -0.430 -24.628  24.157
  350    H    VAL  42           H        VAL  42   4.112 -27.913  17.520
  351    HA   VAL  42           HA       VAL  42   6.214 -25.824  17.059
  352    HB   VAL  42           HB       VAL  42   4.848 -27.656  15.046
  353   HG11  VAL  42          HG11      VAL  42   5.202 -25.453  14.016
  354   HG12  VAL  42          HG12      VAL  42   6.894 -25.445  14.564
  355   HG13  VAL  42          HG13      VAL  42   6.337 -26.620  13.357
  356   HG21  VAL  42          HG23      VAL  42   7.115 -28.520  14.635
  357   HG22  VAL  42          HG21      VAL  42   7.772 -27.450  15.889
  358   HG23  VAL  42          HG22      VAL  42   6.663 -28.765  16.317
  359    H    GLU  43           H        GLU  43   5.422 -23.900  16.125
  360    HA   GLU  43           HA       GLU  43   2.496 -23.643  15.772
  361    HB2  GLU  43           HB2      GLU  43   2.772 -22.739  17.900
  362    HB3  GLU  43           HB3      GLU  43   4.294 -21.936  17.516
  363    HG2  GLU  43           HG2      GLU  43   3.102 -20.325  16.077
  364    HG3  GLU  43           HG3      GLU  43   1.569 -21.142  16.402
  365    H    ILE  44           H        ILE  44   1.974 -22.393  14.048
  366    HA   ILE  44           HA       ILE  44   4.128 -21.180  12.426
  367    HB   ILE  44           HB       ILE  44   1.912 -22.861  11.235
  368   HG12  ILE  44          HG12      ILE  44   4.610 -23.998  12.064
  369   HG13  ILE  44          HG13      ILE  44   3.031 -24.475  12.691
  370   HG21  ILE  44          HG21      ILE  44   3.447 -22.968   9.304
  371   HG22  ILE  44          HG22      ILE  44   3.193 -21.298   9.774
  372   HG23  ILE  44          HG23      ILE  44   4.691 -22.126  10.247
  373   HD11  ILE  44          HD13      ILE  44   2.402 -25.263  10.392
  374   HD12  ILE  44          HD11      ILE  44   4.083 -25.008   9.897
  375   HD13  ILE  44          HD12      ILE  44   3.717 -26.162  11.182
  376    H    LEU  45           H        LEU  45   3.308 -19.438  11.173
  377    HA   LEU  45           HA       LEU  45   0.404 -18.922  11.161
  378    HG   LEU  45           HG       LEU  45  -0.589 -16.737  11.904
  379    HB2  LEU  45           HB2      LEU  45   1.467 -17.585  13.026
  380    HB3  LEU  45           HB3      LEU  45   2.468 -16.770  11.826
  381   HD11  LEU  45          HD11      LEU  45   0.421 -15.649  13.876
  382   HD12  LEU  45          HD12      LEU  45   1.414 -14.627  12.818
  383   HD13  LEU  45          HD13      LEU  45  -0.359 -14.466  12.820
  384   HD21  LEU  45          HD23      LEU  45   0.012 -16.149   9.660
  385   HD22  LEU  45          HD21      LEU  45  -0.200 -14.609  10.465
  386   HD23  LEU  45          HD22      LEU  45   1.440 -15.226  10.188
  387    H    ALA  46           H        ALA  46  -0.106 -18.488   8.988
  388    HA   ALA  46           HA       ALA  46   2.099 -17.725   7.161
  389    HB1  ALA  46           HB3      ALA  46   1.490 -19.524   5.600
  390    HB2  ALA  46           HB1      ALA  46   2.072 -20.189   7.139
  391    HB3  ALA  46           HB2      ALA  46   0.330 -20.179   6.777
  392    H    GLU  47           H        GLU  47   1.378 -16.652   5.327
  393    HA   GLU  47           HA       GLU  47  -1.480 -15.837   5.258
  394    HB2  GLU  47           HB2      GLU  47   0.938 -13.969   5.098
  395    HB3  GLU  47           HB3      GLU  47  -0.777 -13.534   5.123
  396    HG2  GLU  47           HG2      GLU  47  -0.817 -14.760   7.427
  397    HG3  GLU  47           HG3      GLU  47   0.942 -14.622   7.385
  398    H    GLY  48           H        GLY  48  -2.282 -15.807   3.186
  399    HA2  GLY  48           HA2      GLY  48  -0.983 -15.218   0.783
  400    HA3  GLY  48           HA3      GLY  48  -0.653 -16.919   1.107
  401    HA   PRO  49           HA       PRO  49  -4.854 -16.807  -0.840
  402    HB2  PRO  49           HB2      PRO  49  -4.369 -18.411  -3.002
  403    HB3  PRO  49           HB3      PRO  49  -4.042 -16.651  -3.002
  404    HG2  PRO  49           HG2      PRO  49  -2.092 -18.912  -2.545
  405    HG3  PRO  49           HG3      PRO  49  -1.888 -17.469  -3.580
  406    HD2  PRO  49           HD2      PRO  49  -0.869 -17.647  -1.027
  407    HD3  PRO  49           HD3      PRO  49  -1.407 -16.097  -1.740
  408    H    GLU  50           H        GLU  50  -6.349 -18.550  -0.860
  409    HA   GLU  50           HA       GLU  50  -6.033 -20.297   1.284
  410    HB2  GLU  50           HB2      GLU  50  -8.171 -19.421   0.373
  411    HB3  GLU  50           HB3      GLU  50  -8.008 -20.487  -1.029
  412    HG2  GLU  50           HG2      GLU  50  -8.095 -22.466   0.480
  413    HG3  GLU  50           HG3      GLU  50  -8.215 -21.397   1.879
  414    H    ASN  51           H        ASN  51  -5.736 -21.083  -2.244
  415    HA   ASN  51           HA       ASN  51  -5.453 -23.881  -1.856
  416    HB2  ASN  51           HB2      ASN  51  -5.902 -22.922  -4.063
  417    HB3  ASN  51           HB3      ASN  51  -4.335 -22.104  -4.065
  418   HD21  ASN  51          HD22      ASN  51  -2.628 -23.230  -5.040
  419   HD22  ASN  51          HD21      ASN  51  -2.631 -24.946  -5.331
  420    H    ALA  52           H        ALA  52  -3.028 -21.298  -1.765
  421    HA   ALA  52           HA       ALA  52  -0.733 -23.057  -1.652
  422    HB1  ALA  52           HB3      ALA  52  -0.489 -20.712  -2.350
  423    HB2  ALA  52           HB1      ALA  52  -1.076 -20.156  -0.758
  424    HB3  ALA  52           HB2      ALA  52   0.460 -21.015  -0.886
  425    H    LEU  53           H        LEU  53  -2.774 -21.354   0.791
  426    HA   LEU  53           HA       LEU  53  -1.295 -22.299   3.050
  427    HG   LEU  53           HG       LEU  53  -2.221 -19.644   2.379
  428    HB2  LEU  53           HB2      LEU  53  -4.155 -21.328   2.701
  429    HB3  LEU  53           HB3      LEU  53  -3.443 -21.698   4.263
  430   HD11  LEU  53          HD11      LEU  53  -3.290 -17.938   3.783
  431   HD12  LEU  53          HD12      LEU  53  -4.477 -18.947   2.950
  432   HD13  LEU  53          HD13      LEU  53  -4.157 -19.203   4.685
  433   HD21  LEU  53          HD23      LEU  53  -1.122 -18.828   4.427
  434   HD22  LEU  53          HD21      LEU  53  -1.856 -20.145   5.362
  435   HD23  LEU  53          HD22      LEU  53  -0.662 -20.499   4.096
  436    H    GLN  54           H        GLN  54  -4.105 -23.705   1.291
  437    HA   GLN  54           HA       GLN  54  -4.559 -25.879   3.048
  438    HB2  GLN  54           HB2      GLN  54  -5.043 -25.450   0.080
  439    HB3  GLN  54           HB3      GLN  54  -5.473 -26.954   0.894
  440    HG2  GLN  54           HG2      GLN  54  -6.931 -25.788   2.452
  441    HG3  GLN  54           HG3      GLN  54  -6.534 -24.231   1.742
  442   HE21  GLN  54          HE22      GLN  54  -9.011 -26.308   1.845
  443   HE22  GLN  54          HE21      GLN  54  -9.651 -26.157   0.229
  444    H    SER  55           H        SER  55  -2.516 -25.724   0.032
  445    HA   SER  55           HA       SER  55  -1.607 -28.418   0.370
  446    HG   SER  55           HG       SER  55  -1.521 -25.420  -1.550
  447    HB2  SER  55           HB2      SER  55   0.262 -27.630  -1.218
  448    HB3  SER  55           HB3      SER  55  -1.409 -27.642  -1.790
  449    H    PHE  56           H        PHE  56  -0.414 -25.341   1.675
  450    HA   PHE  56           HA       PHE  56   2.051 -26.294   2.704
  451    HD1  PHE  56           HD2      PHE  56   3.919 -24.537   3.367
  452    HD2  PHE  56           HD1      PHE  56   0.525 -23.470   5.817
  453    HE1  PHE  56           HE2      PHE  56   5.442 -23.695   5.138
  454    HE2  PHE  56           HE1      PHE  56   2.046 -22.585   7.540
  455    HZ   PHE  56           HZ       PHE  56   4.512 -22.654   7.187
  456    HB2  PHE  56           HB2      PHE  56   1.521 -23.957   2.440
  457    HB3  PHE  56           HB3      PHE  56   0.189 -24.060   3.569
  458    H    VAL  57           H        VAL  57  -1.250 -26.055   4.297
  459    HA   VAL  57           HA       VAL  57  -0.204 -27.245   6.662
  460    HB   VAL  57           HB       VAL  57  -2.244 -25.938   6.727
  461   HG11  VAL  57          HG11      VAL  57  -3.474 -26.669   4.783
  462   HG12  VAL  57          HG12      VAL  57  -3.623 -28.322   5.420
  463   HG13  VAL  57          HG13      VAL  57  -4.442 -26.970   6.224
  464   HG21  VAL  57          HG23      VAL  57  -3.384 -27.272   8.409
  465   HG22  VAL  57          HG21      VAL  57  -2.649 -28.767   7.787
  466   HG23  VAL  57          HG22      VAL  57  -1.638 -27.528   8.544
  467    H    GLU  58           H        GLU  58  -1.631 -28.716   3.713
  468    HA   GLU  58           HA       GLU  58  -1.744 -31.381   4.598
  469    HB2  GLU  58           HB2      GLU  58  -1.141 -30.199   1.873
  470    HB3  GLU  58           HB3      GLU  58  -1.292 -31.926   2.134
  471    HG2  GLU  58           HG2      GLU  58  -3.506 -29.980   2.893
  472    HG3  GLU  58           HG3      GLU  58  -3.348 -30.664   1.283
  473    H    ALA  59           H        ALA  59   1.024 -29.541   3.310
  474    HA   ALA  59           HA       ALA  59   2.898 -31.703   3.488
  475    HB1  ALA  59           HB3      ALA  59   3.280 -29.688   2.100
  476    HB2  ALA  59           HB1      ALA  59   3.454 -28.709   3.575
  477    HB3  ALA  59           HB2      ALA  59   4.615 -30.000   3.225
  478    H    VAL  60           H        VAL  60   2.004 -29.088   5.799
  479    HA   VAL  60           HA       VAL  60   3.922 -29.716   7.799
  480    HB   VAL  60           HB       VAL  60   1.187 -28.398   7.943
  481   HG11  VAL  60          HG11      VAL  60   3.300 -28.488  10.127
  482   HG12  VAL  60          HG12      VAL  60   1.807 -27.517  10.140
  483   HG13  VAL  60          HG13      VAL  60   1.712 -29.270  10.196
  484   HG21  VAL  60          HG23      VAL  60   2.419 -26.318   8.044
  485   HG22  VAL  60          HG21      VAL  60   3.968 -27.175   8.175
  486   HG23  VAL  60          HG22      VAL  60   3.064 -27.210   6.666
  487    H    LYS  61           H        LYS  61   0.745 -31.259   7.064
  488    HA   LYS  61           HA       LYS  61   0.582 -32.749   9.461
  489    HB2  LYS  61           HB2      LYS  61  -0.216 -33.955   6.794
  490    HB3  LYS  61           HB3      LYS  61  -0.845 -34.287   8.406
  491    HG2  LYS  61           HG2      LYS  61  -1.722 -31.839   8.375
  492    HG3  LYS  61           HG3      LYS  61  -1.312 -31.875   6.661
  493    HD2  LYS  61           HD2      LYS  61  -3.629 -32.342   6.839
  494    HD3  LYS  61           HD3      LYS  61  -2.809 -33.828   6.333
  495    HE2  LYS  61           HE2      LYS  61  -2.903 -34.659   8.689
  496    HE3  LYS  61           HE3      LYS  61  -3.695 -33.157   9.183
  497    HZ1  LYS  61           HZ3      LYS  61  -5.293 -34.926   8.824
  498    HZ2  LYS  61           HZ1      LYS  61  -5.556 -33.743   7.736
  499    HZ3  LYS  61           HZ2      LYS  61  -4.821 -35.130   7.280
  500    H    ASN  62           H        ASN  62   2.706 -33.248   6.662
  501    HA   ASN  62           HA       ASN  62   3.483 -35.918   7.510
  502    HB2  ASN  62           HB2      ASN  62   3.533 -35.174   5.107
  503    HB3  ASN  62           HB3      ASN  62   4.871 -34.092   5.506
  504   HD21  ASN  62          HD22      ASN  62   6.993 -35.045   5.966
  505   HD22  ASN  62          HD21      ASN  62   7.296 -36.733   5.624
  506    H    GLY  63           H        GLY  63   4.807 -32.626   7.667
  507    HA2  GLY  63           HA2      GLY  63   6.517 -31.712   8.967
  508    HA3  GLY  63           HA3      GLY  63   6.681 -33.243   9.835
  509    H    SER  64           H        SER  64   9.058 -32.698   9.496
  510    HA   SER  64           HA       SER  64  10.269 -32.886   6.893
  511    HG   SER  64           HG       SER  64  12.452 -33.491  10.259
  512    HB2  SER  64           HB2      SER  64  12.330 -32.958   8.105
  513    HB3  SER  64           HB3      SER  64  11.274 -31.910   9.043
  514    HA   PRO  65           HA       PRO  65  10.308 -37.352   6.398
  515    HB2  PRO  65           HB2      PRO  65  12.897 -37.978   5.641
  516    HB3  PRO  65           HB3      PRO  65  11.667 -37.243   4.572
  517    HG2  PRO  65           HG2      PRO  65  13.837 -35.845   6.158
  518    HG3  PRO  65           HG3      PRO  65  13.404 -35.616   4.431
  519    HD2  PRO  65           HD2      PRO  65  12.499 -33.927   6.321
  520    HD3  PRO  65           HD3      PRO  65  11.418 -34.442   4.999
  521    H    PHE  66           H        PHE  66  12.025 -35.832   8.938
  522    HA   PHE  66           HA       PHE  66  12.644 -38.440  10.245
  523    HD1  PHE  66           HD2      PHE  66  15.274 -38.927   9.949
  524    HD2  PHE  66           HD1      PHE  66  14.791 -34.721   9.110
  525    HE1  PHE  66           HE2      PHE  66  17.013 -39.074   8.181
  526    HE2  PHE  66           HE1      PHE  66  16.531 -34.875   7.347
  527    HZ   PHE  66           HZ       PHE  66  17.643 -37.050   6.877
  528    HB2  PHE  66           HB2      PHE  66  13.662 -35.677  10.959
  529    HB3  PHE  66           HB3      PHE  66  14.196 -37.211  11.626
  530    H    SER  67           H        SER  67  10.283 -35.976  10.154
  531    HA   SER  67           HA       SER  67   9.716 -35.778  12.999
  532    HG   SER  67           HG       SER  67  10.182 -33.911  10.862
  533    HB2  SER  67           HB2      SER  67   8.093 -35.055  10.519
  534    HB3  SER  67           HB3      SER  67   7.726 -34.561  12.178
  535    H    LYS  68           H        LYS  68   7.589 -36.387  13.827
  536    HA   LYS  68           HA       LYS  68   5.865 -37.997  12.126
  537    HB2  LYS  68           HB2      LYS  68   7.043 -39.779  13.385
  538    HB3  LYS  68           HB3      LYS  68   6.615 -38.991  14.916
  539    HG2  LYS  68           HG2      LYS  68   4.221 -39.355  14.483
  540    HG3  LYS  68           HG3      LYS  68   4.575 -39.954  12.858
  541    HD2  LYS  68           HD2      LYS  68   4.052 -41.797  14.302
  542    HD3  LYS  68           HD3      LYS  68   5.752 -41.898  13.818
  543    HE2  LYS  68           HE2      LYS  68   6.431 -40.935  16.013
  544    HE3  LYS  68           HE3      LYS  68   4.731 -40.796  16.483
  545    HZ1  LYS  68           HZ3      LYS  68   4.571 -43.216  16.359
  546    HZ2  LYS  68           HZ1      LYS  68   6.142 -43.343  15.923
  547    HZ3  LYS  68           HZ2      LYS  68   5.746 -42.783  17.400
  548    H    VAL  69           H        VAL  69   3.816 -37.207  12.405
  549    HA   VAL  69           HA       VAL  69   3.377 -35.194  14.568
  550    HB   VAL  69           HB       VAL  69   2.051 -35.623  11.855
  551   HG11  VAL  69          HG11      VAL  69   1.418 -33.574  14.016
  552   HG12  VAL  69          HG12      VAL  69   0.830 -33.491  12.340
  553   HG13  VAL  69          HG13      VAL  69   0.335 -34.826  13.381
  554   HG21  VAL  69          HG23      VAL  69   3.805 -33.355  12.905
  555   HG22  VAL  69          HG21      VAL  69   4.268 -34.549  11.672
  556   HG23  VAL  69          HG22      VAL  69   2.994 -33.379  11.330
  557    H    THR  70           H        THR  70   1.765 -35.628  16.062
  558    HA   THR  70           HA       THR  70   0.135 -38.099  15.678
  559    HB   THR  70           HB       THR  70   0.254 -38.333  18.137
  560    HG1  THR  70           HG1      THR  70   1.516 -37.017  19.317
  561   HG21  THR  70          HG23      THR  70   3.035 -38.160  16.873
  562   HG22  THR  70          HG21      THR  70   2.555 -39.149  18.270
  563   HG23  THR  70          HG22      THR  70   1.906 -39.518  16.662
  564    H    ASP  71           H        ASP  71   0.106 -34.641  16.299
  565    HA   ASP  71           HA       ASP  71  -2.783 -34.672  15.965
  566    HB2  ASP  71           HB2      ASP  71  -2.621 -34.828  18.431
  567    HB3  ASP  71           HB3      ASP  71  -1.515 -33.455  18.456
  568    H    ILE  72           H        ILE  72  -3.527 -32.576  15.262
  569    HA   ILE  72           HA       ILE  72  -1.656 -30.406  14.932
  570    HB   ILE  72           HB       ILE  72  -1.002 -31.834  13.053
  571   HG12  ILE  72          HG12      ILE  72  -2.527 -29.367  12.128
  572   HG13  ILE  72          HG13      ILE  72  -0.906 -29.398  12.827
  573   HG21  ILE  72          HG21      ILE  72  -2.455 -32.479  11.237
  574   HG22  ILE  72          HG22      ILE  72  -3.157 -33.073  12.734
  575   HG23  ILE  72          HG23      ILE  72  -3.834 -31.623  11.963
  576   HD11  ILE  72          HD13      ILE  72  -1.772 -30.557  10.162
  577   HD12  ILE  72          HD11      ILE  72  -0.686 -29.197  10.451
  578   HD13  ILE  72          HD12      ILE  72  -0.169 -30.844  10.883
  579    H    SER  73           H        SER  73  -2.789 -28.465  14.561
  580    HA   SER  73           HA       SER  73  -5.738 -28.540  14.261
  581    HG   SER  73           HG       SER  73  -5.452 -28.482  17.855
  582    HB2  SER  73           HB2      SER  73  -4.253 -27.072  16.490
  583    HB3  SER  73           HB3      SER  73  -5.995 -27.023  16.179
  584    H    VAL  74           H        VAL  74  -6.559 -26.533  13.449
  585    HA   VAL  74           HA       VAL  74  -4.589 -24.518  12.593
  586    HB   VAL  74           HB       VAL  74  -5.037 -26.293  10.916
  587   HG11  VAL  74          HG11      VAL  74  -7.411 -26.766  11.331
  588   HG12  VAL  74          HG12      VAL  74  -7.845 -25.164  10.694
  589   HG13  VAL  74          HG13      VAL  74  -7.098 -26.374   9.636
  590   HG21  VAL  74          HG23      VAL  74  -5.971 -23.532  10.021
  591   HG22  VAL  74          HG21      VAL  74  -4.283 -24.022  10.249
  592   HG23  VAL  74          HG22      VAL  74  -5.264 -24.800   9.000
  593    H    THR  75           H        THR  75  -5.434 -22.437  12.305
  594    HA   THR  75           HA       THR  75  -8.247 -21.878  12.997
  595    HB   THR  75           HB       THR  75  -5.983 -20.228  14.171
  596    HG1  THR  75           HG1      THR  75  -5.773 -22.307  15.033
  597   HG21  THR  75          HG23      THR  75  -7.722 -19.587  15.839
  598   HG22  THR  75          HG21      THR  75  -8.171 -19.141  14.192
  599   HG23  THR  75          HG22      THR  75  -8.912 -20.568  14.954
  600    H    GLU  76           H        GLU  76  -8.785 -19.624  12.124
  601    HA   GLU  76           HA       GLU  76  -7.014 -18.829   9.876
  602    HB2  GLU  76           HB2      GLU  76  -9.880 -19.847   9.779
  603    HB3  GLU  76           HB3      GLU  76  -9.270 -18.735   8.550
  604    HG2  GLU  76           HG2      GLU  76  -7.553 -20.230   7.875
  605    HG3  GLU  76           HG3      GLU  76  -7.886 -21.361   9.194
  606    H    SER  77           H        SER  77  -7.400 -16.748   9.089
  607    HA   SER  77           HA       SER  77  -9.420 -15.000  10.334
  608    HG   SER  77           HG       SER  77  -6.579 -14.437  12.573
  609    HB2  SER  77           HB2      SER  77  -6.438 -14.327  10.357
  610    HB3  SER  77           HB3      SER  77  -7.749 -13.278  10.896
  611    H    ARG  78           H        ARG  78  -9.973 -13.286   8.875
  612    HA   ARG  78           HA       ARG  78  -8.673 -13.367   6.204
  613    HE   ARG  78           HE       ARG  78  -9.429 -13.933   3.995
  614    HB2  ARG  78           HB2      ARG  78 -10.897 -11.531   7.198
  615    HB3  ARG  78           HB3      ARG  78 -10.307 -11.698   5.544
  616    HG2  ARG  78           HG2      ARG  78 -11.885 -13.731   7.130
  617    HG3  ARG  78           HG3      ARG  78 -12.393 -12.837   5.700
  618    HD2  ARG  78           HD2      ARG  78 -10.248 -14.967   5.871
  619    HD3  ARG  78           HD3      ARG  78 -11.828 -15.158   5.120
  620   HH11  ARG  78          HH21      ARG  78 -12.967 -14.060   3.663
  621   HH12  ARG  78          HH22      ARG  78 -12.955 -13.552   2.016
  622   HH21  ARG  78          HH11      ARG  78  -9.400 -13.301   1.877
  623   HH22  ARG  78          HH12      ARG  78 -10.863 -13.092   0.961
  624    H    SER  79           H        SER  79  -8.782 -11.335   9.136
  625    HA   SER  79           HA       SER  79  -7.199  -9.190   8.247
  626    HG   SER  79           HG       SER  79  -8.931  -9.110  11.433
  627    HB2  SER  79           HB2      SER  79  -7.171 -10.532  10.984
  628    HB3  SER  79           HB3      SER  79  -6.810  -8.838  10.607
  629    H    LEU  80           H        LEU  80  -4.945  -8.864   8.564
  630    HA   LEU  80           HA       LEU  80  -3.248 -11.322   8.466
  631    HG   LEU  80           HG       LEU  80  -4.669 -10.035   5.754
  632    HB2  LEU  80           HB2      LEU  80  -2.871  -8.770   6.852
  633    HB3  LEU  80           HB3      LEU  80  -1.827 -10.184   6.833
  634   HD11  LEU  80          HD11      LEU  80  -3.568 -10.254   3.575
  635   HD12  LEU  80          HD12      LEU  80  -2.937  -8.849   4.434
  636   HD13  LEU  80          HD13      LEU  80  -1.973 -10.338   4.359
  637   HD21  LEU  80          HD23      LEU  80  -4.326 -12.293   6.563
  638   HD22  LEU  80          HD21      LEU  80  -4.183 -12.313   4.808
  639   HD23  LEU  80          HD22      LEU  80  -2.718 -12.380   5.819
  640    H    GLU  81           H        GLU  81  -1.120 -11.023   9.257
  641    HA   GLU  81           HA       GLU  81  -0.619  -8.749  11.083
  642    HB2  GLU  81           HB2      GLU  81   1.343 -10.887  10.206
  643    HB3  GLU  81           HB3      GLU  81   1.457  -9.818  11.598
  644    HG2  GLU  81           HG2      GLU  81  -0.270 -12.261  11.202
  645    HG3  GLU  81           HG3      GLU  81   0.919 -11.959  12.451
  646    H    GLY  82           H        GLY  82   0.303 -10.047   7.896
  647    HA2  GLY  82           HA2      GLY  82   0.582  -8.669   6.003
  648    HA3  GLY  82           HA3      GLY  82   1.053  -7.301   7.021
  649    H    HIS  83           H        HIS  83   2.251 -10.728   6.967
  650    HA   HIS  83           HA       HIS  83   5.019  -9.970   7.133
  651    HD1  HIS  83           HD1      HIS  83   2.134 -12.343   8.548
  652    HD2  HIS  83           HD2      HIS  83   6.312 -12.705   8.917
  653    HE1  HIS  83           HE1      HIS  83   2.595 -13.113  10.960
  654    HB2  HIS  83           HB2      HIS  83   3.645 -12.543   6.247
  655    HB3  HIS  83           HB3      HIS  83   5.378 -12.366   6.502
  656    H    HIS  84           H        HIS  84   6.645 -10.221   5.499
  657    HA   HIS  84           HA       HIS  84   5.744 -10.256   2.654
  658    HD1  HIS  84           HD1      HIS  84   6.477  -6.650   5.199
  659    HD2  HIS  84           HD2      HIS  84   4.838  -7.835   1.505
  660    HE1  HIS  84           HE1      HIS  84   4.476  -5.133   4.786
  661    HB2  HIS  84           HB2      HIS  84   7.879  -8.477   3.894
  662    HB3  HIS  84           HB3      HIS  84   7.497  -8.579   2.177
  663    H    ARG  85           H        ARG  85   7.406 -11.975   4.923
  664    HA   ARG  85           HA       ARG  85   8.836 -13.538   2.957
  665    HE   ARG  85           HE       ARG  85  11.970 -10.314   4.606
  666    HB2  ARG  85           HB2      ARG  85  10.962 -13.571   4.209
  667    HB3  ARG  85           HB3      ARG  85  10.627 -11.975   3.553
  668    HG2  ARG  85           HG2      ARG  85   9.945 -11.143   5.766
  669    HG3  ARG  85           HG3      ARG  85  10.060 -12.769   6.447
  670    HD2  ARG  85           HD2      ARG  85  12.014 -11.516   7.092
  671    HD3  ARG  85           HD3      ARG  85  12.486 -12.812   5.982
  672   HH11  ARG  85          HH21      ARG  85  14.439 -11.989   6.528
  673   HH12  ARG  85          HH22      ARG  85  15.766 -11.124   5.845
  674   HH21  ARG  85          HH11      ARG  85  13.738  -9.163   3.685
  675   HH22  ARG  85          HH12      ARG  85  15.350  -9.476   4.197
  676    H    PHE  86           H        PHE  86   9.811 -15.528   4.424
  677    HA   PHE  86           HA       PHE  86   7.806 -16.086   6.548
  678    HD1  PHE  86           HD1      PHE  86   9.320 -19.556   6.687
  679    HD2  PHE  86           HD2      PHE  86   5.417 -18.022   5.700
  680    HE1  PHE  86           HE1      PHE  86   8.288 -21.144   8.283
  681    HE2  PHE  86           HE2      PHE  86   4.395 -19.564   7.349
  682    HZ   PHE  86           HZ       PHE  86   5.829 -21.120   8.640
  683    HB2  PHE  86           HB2      PHE  86   7.342 -17.340   4.433
  684    HB3  PHE  86           HB3      PHE  86   8.901 -18.140   4.614
  685    H    SER  87           H        SER  87   8.768 -16.343   8.484
  686    HA   SER  87           HA       SER  87  11.732 -16.710   8.464
  687    HG   SER  87           HG       SER  87  10.901 -13.308   9.110
  688    HB2  SER  87           HB2      SER  87   9.967 -15.038  10.286
  689    HB3  SER  87           HB3      SER  87  11.740 -15.095  10.286
  690    H    ILE  88           H        ILE  88  12.726 -17.966   9.946
  691    HA   ILE  88           HA       ILE  88  11.124 -19.648  11.779
  692    HB   ILE  88           HB       ILE  88  14.113 -19.477  11.194
  693   HG12  ILE  88          HG12      ILE  88  12.215 -21.780  10.541
  694   HG13  ILE  88          HG13      ILE  88  12.490 -20.474   9.406
  695   HG21  ILE  88          HG21      ILE  88  14.253 -21.595  12.555
  696   HG22  ILE  88          HG22      ILE  88  13.789 -20.191  13.509
  697   HG23  ILE  88          HG23      ILE  88  12.549 -21.361  13.016
  698   HD11  ILE  88          HD13      ILE  88  14.647 -22.344  10.439
  699   HD12  ILE  88          HD11      ILE  88  13.916 -22.314   8.824
  700   HD13  ILE  88          HD12      ILE  88  14.903 -20.948   9.355
  701    H    VAL  89           H        VAL  89  10.789 -18.984  13.872
  702    HA   VAL  89           HA       VAL  89  12.437 -16.806  15.019
  703    HB   VAL  89           HB       VAL  89  10.509 -15.574  15.737
  704   HG11  VAL  89          HG11      VAL  89  11.402 -15.056  13.472
  705   HG12  VAL  89          HG12      VAL  89  10.140 -16.093  12.764
  706   HG13  VAL  89          HG13      VAL  89   9.693 -14.640  13.673
  707   HG21  VAL  89          HG23      VAL  89   8.838 -17.275  16.090
  708   HG22  VAL  89          HG21      VAL  89   8.199 -16.087  14.956
  709   HG23  VAL  89          HG22      VAL  89   8.774 -17.656  14.355
  710    H    TYR  90           H        TYR  90  11.594 -16.548  17.455
  711    HA   TYR  90           HA       TYR  90  11.613 -19.302  18.604
  712    HD1  TYR  90           HD1      TYR  90  14.291 -20.441  18.460
  713    HD2  TYR  90           HD2      TYR  90  14.423 -16.261  17.391
  714    HE1  TYR  90           HE1      TYR  90  15.903 -20.956  16.647
  715    HE2  TYR  90           HE2      TYR  90  16.006 -16.773  15.558
  716    HH   TYR  90           HH       TYR  90  17.175 -20.107  14.889
  717    HB2  TYR  90           HB2      TYR  90  13.352 -16.963  19.447
  718    HB3  TYR  90           HB3      TYR  90  13.452 -18.623  20.012
  719    H    SER  91           H        SER  91   9.750 -16.589  18.544
  720    HA   SER  91           HA       SER  91   8.648 -16.987  21.226
  721    HG   SER  91           HG       SER  91  10.865 -14.221  21.993
  722    HB2  SER  91           HB2      SER  91   9.453 -14.237  20.161
  723    HB3  SER  91           HB3      SER  91   8.603 -14.575  21.672
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -6.280 -11.713  -0.052
    2    H2   MET   1           H2       MET   1  -5.605 -12.408  -1.380
    3    H3   MET   1           H3       MET   1  -6.739 -13.210  -0.509
    4    HA   MET   1           HA       MET   1  -4.597 -14.114  -0.032
    5    HB2  MET   1           HB2      MET   1  -3.468 -11.840  -0.528
    6    HB3  MET   1           HB3      MET   1  -3.838 -11.414   1.146
    7    HG2  MET   1           HG2      MET   1  -2.479 -13.323   1.918
    8    HG3  MET   1           HG3      MET   1  -2.181 -13.800   0.240
    9    HE1  MET   1           HE3      MET   1  -0.144 -13.026   2.756
   10    HE2  MET   1           HE1      MET   1   0.464 -13.760   1.252
   11    HE3  MET   1           HE2      MET   1   1.196 -12.262   1.872
   12    H    LEU   2           H        LEU   2  -4.233 -15.039   2.079
   13    HA   LEU   2           HA       LEU   2  -6.369 -14.444   4.067
   14    HG   LEU   2           HG       LEU   2  -6.435 -17.491   5.063
   15    HB2  LEU   2           HB2      LEU   2  -6.959 -16.190   2.350
   16    HB3  LEU   2           HB3      LEU   2  -5.502 -17.072   2.768
   17   HD11  LEU   2          HD11      LEU   2  -8.953 -16.229   3.891
   18   HD12  LEU   2          HD12      LEU   2  -8.788 -16.980   5.503
   19   HD13  LEU   2          HD13      LEU   2  -7.935 -15.482   5.126
   20   HD21  LEU   2          HD23      LEU   2  -6.741 -19.166   3.320
   21   HD22  LEU   2          HD21      LEU   2  -8.184 -19.079   4.334
   22   HD23  LEU   2          HD22      LEU   2  -8.196 -18.330   2.729
   23    H    GLN   3           H        GLN   3  -5.901 -15.604   6.195
   24    HA   GLN   3           HA       GLN   3  -3.004 -16.089   6.695
   25    HB2  GLN   3           HB2      GLN   3  -3.675 -13.903   7.644
   26    HB3  GLN   3           HB3      GLN   3  -5.075 -14.650   8.397
   27    HG2  GLN   3           HG2      GLN   3  -3.515 -16.049   9.811
   28    HG3  GLN   3           HG3      GLN   3  -2.163 -15.159   9.119
   29   HE21  GLN   3          HE22      GLN   3  -2.044 -12.790   9.591
   30   HE22  GLN   3          HE21      GLN   3  -2.819 -12.185  11.053
   31    H    TYR   4           H        TYR   4  -2.627 -17.994   7.707
   32    HA   TYR   4           HA       TYR   4  -4.818 -19.410   9.154
   33    HD1  TYR   4           HD1      TYR   4  -5.990 -19.617   7.214
   34    HD2  TYR   4           HD2      TYR   4  -3.448 -23.072   6.804
   35    HE1  TYR   4           HE1      TYR   4  -7.719 -20.714   5.868
   36    HE2  TYR   4           HE2      TYR   4  -5.174 -24.173   5.409
   37    HH   TYR   4           HH       TYR   4  -7.332 -24.040   4.581
   38    HB2  TYR   4           HB2      TYR   4  -2.590 -20.525   7.410
   39    HB3  TYR   4           HB3      TYR   4  -3.260 -21.444   8.731
   40    H    ARG   5           H        ARG   5  -4.079 -20.526  11.021
   41    HA   ARG   5           HA       ARG   5  -1.304 -20.057  11.930
   42    HE   ARG   5           HE       ARG   5  -0.701 -19.501  17.337
   43    HB2  ARG   5           HB2      ARG   5  -3.013 -18.607  13.242
   44    HB3  ARG   5           HB3      ARG   5  -3.680 -20.133  13.837
   45    HG2  ARG   5           HG2      ARG   5  -1.286 -20.674  14.685
   46    HG3  ARG   5           HG3      ARG   5  -0.889 -18.995  14.262
   47    HD2  ARG   5           HD2      ARG   5  -2.992 -18.420  15.757
   48    HD3  ARG   5           HD3      ARG   5  -2.792 -20.068  16.360
   49   HH11  ARG   5          HH21      ARG   5  -2.173 -16.621  15.815
   50   HH12  ARG   5          HH22      ARG   5  -1.188 -15.520  16.703
   51   HH21  ARG   5          HH11      ARG   5   0.507 -18.140  18.440
   52   HH22  ARG   5          HH12      ARG   5   0.409 -16.393  18.281
   53    H    ILE   6           H        ILE   6  -0.444 -22.033  12.779
   54    HA   ILE   6           HA       ILE   6  -2.233 -24.409  12.672
   55    HB   ILE   6           HB       ILE   6   0.477 -24.231  11.315
   56   HG12  ILE   6          HG12      ILE   6  -2.211 -24.425   9.895
   57   HG13  ILE   6          HG13      ILE   6  -1.320 -22.917  10.072
   58   HG21  ILE   6          HG21      ILE   6  -1.604 -26.454  11.379
   59   HG22  ILE   6          HG22      ILE   6  -0.144 -26.476  10.380
   60   HG23  ILE   6          HG23      ILE   6   0.001 -26.479  12.129
   61   HD11  ILE   6          HD13      ILE   6  -0.872 -23.730   7.907
   62   HD12  ILE   6          HD11      ILE   6   0.613 -23.872   8.871
   63   HD13  ILE   6          HD12      ILE   6  -0.355 -25.317   8.506
   64    H    ILE   7           H        ILE   7  -1.625 -25.991  14.149
   65    HA   ILE   7           HA       ILE   7   0.681 -25.459  15.947
   66    HB   ILE   7           HB       ILE   7  -2.133 -26.253  16.808
   67   HG12  ILE   7          HG12      ILE   7  -2.178 -23.865  16.154
   68   HG13  ILE   7          HG13      ILE   7  -2.467 -24.118  17.857
   69   HG21  ILE   7          HG21      ILE   7  -0.470 -27.198  18.283
   70   HG22  ILE   7          HG22      ILE   7   0.373 -25.644  18.431
   71   HG23  ILE   7          HG23      ILE   7  -1.254 -25.854  19.121
   72   HD11  ILE   7          HD13      ILE   7  -0.981 -22.161  17.284
   73   HD12  ILE   7          HD11      ILE   7  -0.285 -23.295  18.462
   74   HD13  ILE   7          HD12      ILE   7   0.256 -23.323  16.774
   75    H    VAL   8           H        VAL   8   1.758 -27.421  16.450
   76    HA   VAL   8           HA       VAL   8   0.548 -29.943  15.412
   77    HB   VAL   8           HB       VAL   8   3.435 -29.287  14.831
   78   HG11  VAL   8          HG11      VAL   8   2.628 -31.584  14.492
   79   HG12  VAL   8          HG12      VAL   8   1.357 -30.995  13.401
   80   HG13  VAL   8          HG13      VAL   8   3.066 -30.845  12.951
   81   HG21  VAL   8          HG23      VAL   8   1.183 -28.474  12.951
   82   HG22  VAL   8          HG21      VAL   8   2.300 -27.361  13.779
   83   HG23  VAL   8          HG22      VAL   8   2.924 -28.483  12.585
   84    H    ASP   9           H        ASP   9   1.339 -31.853  16.447
   85    HA   ASP   9           HA       ASP   9   3.398 -31.576  18.545
   86    HB2  ASP   9           HB2      ASP   9   1.153 -31.247  19.638
   87    HB3  ASP   9           HB3      ASP   9   0.661 -32.808  18.996
   88    H    GLY  10           H        GLY  10   4.245 -33.689  19.184
   89    HA2  GLY  10           HA2      GLY  10   3.932 -36.192  18.692
   90    HA3  GLY  10           HA3      GLY  10   4.131 -35.710  17.000
   91    H    ARG  11           H        ARG  11   6.036 -36.970  16.857
   92    HA   ARG  11           HA       ARG  11   8.513 -36.017  18.172
   93    HE   ARG  11           HE       ARG  11   9.834 -40.195  16.317
   94    HB2  ARG  11           HB2      ARG  11   8.268 -38.413  17.428
   95    HB3  ARG  11           HB3      ARG  11   8.076 -37.841  15.776
   96    HG2  ARG  11           HG2      ARG  11  10.450 -36.611  16.441
   97    HG3  ARG  11           HG3      ARG  11  10.539 -38.039  17.469
   98    HD2  ARG  11           HD2      ARG  11  10.103 -37.962  14.457
   99    HD3  ARG  11           HD3      ARG  11  11.610 -38.410  15.270
  100   HH11  ARG  11          HH21      ARG  11  10.736 -39.338  12.981
  101   HH12  ARG  11          HH22      ARG  11  10.290 -40.877  12.326
  102   HH21  ARG  11          HH11      ARG  11   9.246 -42.239  15.436
  103   HH22  ARG  11          HH12      ARG  11   9.449 -42.563  13.758
  104    H    VAL  12           H        VAL  12   7.955 -33.762  17.679
  105    HA   VAL  12           HA       VAL  12   8.385 -33.006  14.828
  106    HB   VAL  12           HB       VAL  12   6.682 -31.291  15.085
  107   HG11  VAL  12          HG11      VAL  12   6.064 -33.517  14.207
  108   HG12  VAL  12          HG12      VAL  12   5.556 -34.012  15.830
  109   HG13  VAL  12          HG13      VAL  12   4.719 -32.686  15.015
  110   HG21  VAL  12          HG23      VAL  12   6.081 -32.464  17.836
  111   HG22  VAL  12          HG21      VAL  12   6.774 -30.869  17.516
  112   HG23  VAL  12          HG22      VAL  12   5.132 -31.237  16.983
  113    H    GLN  13           H        GLN  13  10.257 -33.099  17.255
  114    HA   GLN  13           HA       GLN  13  11.350 -30.390  16.851
  115    HB2  GLN  13           HB2      GLN  13  11.368 -31.696  19.602
  116    HB3  GLN  13           HB3      GLN  13  11.876 -30.071  19.142
  117    HG2  GLN  13           HG2      GLN  13   9.360 -29.744  18.493
  118    HG3  GLN  13           HG3      GLN  13   9.066 -31.163  19.484
  119   HE21  GLN  13          HE22      GLN  13   8.887 -27.936  19.604
  120   HE22  GLN  13          HE21      GLN  13   9.250 -27.613  21.294
  121    H    GLY  14           H        GLY  14  13.599 -30.439  16.700
  122    HA2  GLY  14           HA2      GLY  14  15.705 -31.321  16.559
  123    HA3  GLY  14           HA3      GLY  14  15.228 -32.696  17.577
  124    H    VAL  15           H        VAL  15  13.591 -31.627  14.585
  125    HA   VAL  15           HA       VAL  15  14.529 -34.057  13.133
  126    HB   VAL  15           HB       VAL  15  12.176 -34.464  12.390
  127   HG11  VAL  15          HG11      VAL  15  12.584 -34.793  15.380
  128   HG12  VAL  15          HG12      VAL  15  11.484 -35.712  14.337
  129   HG13  VAL  15          HG13      VAL  15  13.231 -35.862  14.117
  130   HG21  VAL  15          HG23      VAL  15  11.124 -32.338  12.903
  131   HG22  VAL  15          HG21      VAL  15  10.309 -33.647  13.766
  132   HG23  VAL  15          HG22      VAL  15  11.414 -32.566  14.639
  133    H    GLY  16           H        GLY  16  14.056 -30.693  13.128
  134    HA2  GLY  16           HA2      GLY  16  14.968 -29.345  11.432
  135    HA3  GLY  16           HA3      GLY  16  14.703 -30.622  10.227
  136    H    PHE  17           H        PHE  17  12.269 -29.739  12.730
  137    HA   PHE  17           HA       PHE  17  10.261 -29.739  10.659
  138    HD1  PHE  17           HD1      PHE  17   7.827 -27.659  11.720
  139    HD2  PHE  17           HD2      PHE  17   8.369 -31.788  12.810
  140    HE1  PHE  17           HE1      PHE  17   5.496 -28.150  11.029
  141    HE2  PHE  17           HE2      PHE  17   6.042 -32.277  12.121
  142    HZ   PHE  17           HZ       PHE  17   4.601 -30.468  11.207
  143    HB2  PHE  17           HB2      PHE  17  10.086 -30.271  13.244
  144    HB3  PHE  17           HB3      PHE  17   9.731 -28.559  13.382
  145    H    ARG  18           H        ARG  18  11.766 -27.088  12.634
  146    HA   ARG  18           HA       ARG  18  10.356 -24.944  11.419
  147    HE   ARG  18           HE       ARG  18  12.816 -25.932  15.096
  148    HB2  ARG  18           HB2      ARG  18  13.128 -25.202  12.638
  149    HB3  ARG  18           HB3      ARG  18  12.588 -23.669  11.950
  150    HG2  ARG  18           HG2      ARG  18  10.796 -23.435  13.460
  151    HG3  ARG  18           HG3      ARG  18  10.873 -25.113  13.994
  152    HD2  ARG  18           HD2      ARG  18  13.187 -23.184  14.437
  153    HD3  ARG  18           HD3      ARG  18  11.814 -23.283  15.553
  154   HH11  ARG  18          HH21      ARG  18  13.709 -22.912  16.787
  155   HH12  ARG  18          HH22      ARG  18  14.530 -23.722  18.070
  156   HH21  ARG  18          HH11      ARG  18  13.896 -26.992  16.761
  157   HH22  ARG  18          HH12      ARG  18  14.658 -26.096  18.055
  158    H    TYR  19           H        TYR  19  13.375 -26.533  10.274
  159    HA   TYR  19           HA       TYR  19  13.713 -24.721   8.076
  160    HD1  TYR  19           HD1      TYR  19  15.529 -24.251   6.796
  161    HD2  TYR  19           HD2      TYR  19  16.112 -28.532   6.903
  162    HE1  TYR  19           HE1      TYR  19  16.852 -24.115   4.722
  163    HE2  TYR  19           HE2      TYR  19  17.454 -28.400   4.829
  164    HH   TYR  19           HH       TYR  19  18.100 -25.290   3.139
  165    HB2  TYR  19           HB2      TYR  19  15.539 -26.052   9.077
  166    HB3  TYR  19           HB3      TYR  19  14.768 -27.539   8.541
  167    H    PHE  20           H        PHE  20  12.141 -27.958   8.359
  168    HA   PHE  20           HA       PHE  20  11.450 -28.276   5.641
  169    HD1  PHE  20           HD1      PHE  20  10.372 -30.758   4.832
  170    HD2  PHE  20           HD2      PHE  20   7.784 -29.203   7.919
  171    HE1  PHE  20           HE1      PHE  20   8.395 -31.689   3.654
  172    HE2  PHE  20           HE2      PHE  20   5.813 -30.118   6.719
  173    HZ   PHE  20           HZ       PHE  20   6.118 -31.384   4.604
  174    HB2  PHE  20           HB2      PHE  20  11.220 -30.102   7.180
  175    HB3  PHE  20           HB3      PHE  20  10.148 -29.190   8.229
  176    H    VAL  21           H        VAL  21   9.550 -26.721   8.314
  177    HA   VAL  21           HA       VAL  21   7.400 -25.926   6.647
  178    HB   VAL  21           HB       VAL  21   8.472 -24.793   9.263
  179   HG11  VAL  21          HG11      VAL  21   5.789 -24.292   7.917
  180   HG12  VAL  21          HG12      VAL  21   6.233 -23.765   9.551
  181   HG13  VAL  21          HG13      VAL  21   7.064 -23.076   8.153
  182   HG21  VAL  21          HG23      VAL  21   6.082 -26.596   8.653
  183   HG22  VAL  21          HG21      VAL  21   7.606 -27.166   9.326
  184   HG23  VAL  21          HG22      VAL  21   6.601 -26.049  10.261
  185    H    GLN  22           H        GLN  22  10.511 -24.243   7.406
  186    HA   GLN  22           HA       GLN  22   9.870 -21.818   6.106
  187    HB2  GLN  22           HB2      GLN  22  11.826 -22.237   7.621
  188    HB3  GLN  22           HB3      GLN  22  12.597 -23.166   6.328
  189    HG2  GLN  22           HG2      GLN  22  12.537 -21.106   4.882
  190    HG3  GLN  22           HG3      GLN  22  11.823 -20.228   6.239
  191   HE21  GLN  22          HE22      GLN  22  13.462 -18.779   6.791
  192   HE22  GLN  22          HE21      GLN  22  15.087 -19.262   7.202
  193    H    MET  23           H        MET  23  11.306 -24.865   4.776
  194    HA   MET  23           HA       MET  23  11.588 -23.741   2.117
  195    HB2  MET  23           HB2      MET  23  11.523 -26.625   3.128
  196    HB3  MET  23           HB3      MET  23  11.863 -26.168   1.455
  197    HG2  MET  23           HG2      MET  23  13.796 -24.823   2.195
  198    HG3  MET  23           HG3      MET  23  13.522 -25.324   3.862
  199    HE1  MET  23           HE3      MET  23  12.823 -28.477   3.645
  200    HE2  MET  23           HE1      MET  23  14.472 -29.085   3.890
  201    HE3  MET  23           HE2      MET  23  13.903 -27.676   4.811
  202    H    GLU  24           H        GLU  24   8.975 -25.685   3.724
  203    HA   GLU  24           HA       GLU  24   7.488 -26.011   1.308
  204    HB2  GLU  24           HB2      GLU  24   6.688 -26.096   4.245
  205    HB3  GLU  24           HB3      GLU  24   5.585 -26.462   2.924
  206    HG2  GLU  24           HG2      GLU  24   8.142 -27.996   3.547
  207    HG3  GLU  24           HG3      GLU  24   6.494 -28.503   3.894
  208    H    ALA  25           H        ALA  25   7.564 -23.408   3.750
  209    HA   ALA  25           HA       ALA  25   5.431 -21.869   2.584
  210    HB1  ALA  25           HB3      ALA  25   6.497 -19.988   3.842
  211    HB2  ALA  25           HB1      ALA  25   6.239 -21.415   4.862
  212    HB3  ALA  25           HB2      ALA  25   7.861 -21.040   4.242
  213    H    ASP  26           H        ASP  26   8.989 -22.015   2.055
  214    HA   ASP  26           HA       ASP  26   9.187 -19.802   0.332
  215    HB2  ASP  26           HB2      ASP  26  11.155 -20.965   1.376
  216    HB3  ASP  26           HB3      ASP  26  10.881 -22.333   0.316
  217    H    LYS  27           H        LYS  27   8.796 -23.304  -0.495
  218    HA   LYS  27           HA       LYS  27   8.665 -22.716  -3.291
  219    HB2  LYS  27           HB2      LYS  27   8.238 -25.034  -3.666
  220    HB3  LYS  27           HB3      LYS  27   9.457 -24.836  -2.428
  221    HG2  LYS  27           HG2      LYS  27   8.255 -26.535  -1.518
  222    HG3  LYS  27           HG3      LYS  27   7.459 -25.165  -0.741
  223    HD2  LYS  27           HD2      LYS  27   5.649 -25.269  -2.426
  224    HD3  LYS  27           HD3      LYS  27   6.445 -26.616  -3.238
  225    HE2  LYS  27           HE2      LYS  27   5.424 -26.621  -0.357
  226    HE3  LYS  27           HE3      LYS  27   4.538 -27.273  -1.739
  227    HZ1  LYS  27           HZ3      LYS  27   6.292 -28.917  -2.037
  228    HZ2  LYS  27           HZ1      LYS  27   7.154 -28.276  -0.763
  229    HZ3  LYS  27           HZ2      LYS  27   5.753 -28.955  -0.469
  230    H    ARG  28           H        ARG  28   6.322 -22.023  -0.992
  231    HA   ARG  28           HA       ARG  28   4.205 -21.832  -3.093
  232    HE   ARG  28           HE       ARG  28   4.349 -23.735  -3.456
  233    HB2  ARG  28           HB2      ARG  28   4.113 -22.040  -0.051
  234    HB3  ARG  28           HB3      ARG  28   2.727 -21.619  -1.028
  235    HG2  ARG  28           HG2      ARG  28   4.169 -24.288  -1.000
  236    HG3  ARG  28           HG3      ARG  28   2.619 -23.908  -0.283
  237    HD2  ARG  28           HD2      ARG  28   2.115 -25.099  -2.243
  238    HD3  ARG  28           HD3      ARG  28   1.721 -23.409  -2.605
  239   HH11  ARG  28          HH21      ARG  28   1.282 -25.290  -4.354
  240   HH12  ARG  28          HH22      ARG  28   1.794 -25.629  -5.965
  241   HH21  ARG  28          HH11      ARG  28   5.015 -24.150  -5.498
  242   HH22  ARG  28          HH12      ARG  28   3.999 -24.962  -6.645
  243    H    LYS  29           H        LYS  29   6.624 -19.983  -1.863
  244    HA   LYS  29           HA       LYS  29   6.930 -17.842  -1.223
  245    HB2  LYS  29           HB2      LYS  29   4.930 -17.381  -3.463
  246    HB3  LYS  29           HB3      LYS  29   5.959 -16.133  -2.789
  247    HG2  LYS  29           HG2      LYS  29   7.051 -18.608  -4.200
  248    HG3  LYS  29           HG3      LYS  29   6.671 -17.085  -4.981
  249    HD2  LYS  29           HD2      LYS  29   8.923 -16.851  -4.679
  250    HD3  LYS  29           HD3      LYS  29   8.300 -15.978  -3.276
  251    HE2  LYS  29           HE2      LYS  29   8.703 -18.040  -1.885
  252    HE3  LYS  29           HE3      LYS  29   9.300 -18.866  -3.317
  253    HZ1  LYS  29           HZ3      LYS  29  11.063 -18.033  -1.925
  254    HZ2  LYS  29           HZ1      LYS  29  11.131 -17.304  -3.396
  255    HZ3  LYS  29           HZ2      LYS  29  10.560 -16.481  -2.097
  256    H    LEU  30           H        LEU  30   5.222 -19.091   0.560
  257    HA   LEU  30           HA       LEU  30   3.042 -17.261   1.272
  258    HG   LEU  30           HG       LEU  30   3.097 -20.392   1.035
  259    HB2  LEU  30           HB2      LEU  30   4.509 -19.438   2.822
  260    HB3  LEU  30           HB3      LEU  30   3.136 -18.530   3.428
  261   HD11  LEU  30          HD11      LEU  30   1.705 -21.833   2.455
  262   HD12  LEU  30          HD12      LEU  30   3.298 -21.580   3.180
  263   HD13  LEU  30          HD13      LEU  30   1.898 -20.706   3.812
  264   HD21  LEU  30          HD23      LEU  30   1.436 -18.677   0.657
  265   HD22  LEU  30          HD21      LEU  30   0.609 -20.154   1.157
  266   HD23  LEU  30          HD22      LEU  30   0.832 -18.837   2.328
  267    H    ALA  31           H        ALA  31   3.176 -16.112   3.386
  268    HA   ALA  31           HA       ALA  31   5.906 -15.267   4.195
  269    HB1  ALA  31           HB3      ALA  31   5.137 -12.967   4.403
  270    HB2  ALA  31           HB1      ALA  31   4.903 -13.495   2.733
  271    HB3  ALA  31           HB2      ALA  31   3.508 -13.414   3.841
  272    H    GLY  32           H        GLY  32   5.891 -14.559   6.554
  273    HA2  GLY  32           HA2      GLY  32   4.105 -14.607   8.511
  274    HA3  GLY  32           HA3      GLY  32   3.924 -16.271   7.965
  275    H    TRP  33           H        TRP  33   4.698 -17.151   9.946
  276    HA   TRP  33           HA       TRP  33   7.545 -17.342   9.980
  277    HD1  TRP  33           HD1      TRP  33   5.444 -13.889  11.784
  278    HE1  TRP  33           HE1      TRP  33   3.537 -13.797  13.464
  279    HE3  TRP  33           HE3      TRP  33   6.108 -18.465  13.985
  280    HZ2  TRP  33           HZ2      TRP  33   2.351 -15.554  15.461
  281    HZ3  TRP  33           HZ3      TRP  33   4.549 -19.254  15.715
  282    HH2  TRP  33           HH2      TRP  33   2.658 -17.813  16.471
  283    HB2  TRP  33           HB2      TRP  33   7.744 -16.745  12.438
  284    HB3  TRP  33           HB3      TRP  33   7.475 -15.403  11.356
  285    H    VAL  34           H        VAL  34   8.353 -18.902  11.617
  286    HA   VAL  34           HA       VAL  34   6.327 -20.793  12.673
  287    HB   VAL  34           HB       VAL  34   7.098 -21.779  10.585
  288   HG11  VAL  34          HG11      VAL  34   9.395 -22.445  10.141
  289   HG12  VAL  34          HG12      VAL  34   9.329 -20.689  10.357
  290   HG13  VAL  34          HG13      VAL  34   9.939 -21.719  11.664
  291   HG21  VAL  34          HG23      VAL  34   8.417 -23.268  12.890
  292   HG22  VAL  34          HG21      VAL  34   6.678 -23.251  12.572
  293   HG23  VAL  34          HG22      VAL  34   7.792 -23.950  11.387
  294    H    LYS  35           H        LYS  35   6.925 -21.724  14.664
  295    HA   LYS  35           HA       LYS  35   9.685 -21.398  15.585
  296    HB2  LYS  35           HB2      LYS  35   9.115 -20.461  17.734
  297    HB3  LYS  35           HB3      LYS  35   8.560 -19.392  16.452
  298    HG2  LYS  35           HG2      LYS  35   6.227 -20.386  16.749
  299    HG3  LYS  35           HG3      LYS  35   6.850 -21.241  18.174
  300    HD2  LYS  35           HD2      LYS  35   7.526 -19.068  19.170
  301    HD3  LYS  35           HD3      LYS  35   6.895 -18.222  17.737
  302    HE2  LYS  35           HE2      LYS  35   4.625 -19.226  18.244
  303    HE3  LYS  35           HE3      LYS  35   5.302 -19.879  19.738
  304    HZ1  LYS  35           HZ3      LYS  35   5.061 -17.018  19.032
  305    HZ2  LYS  35           HZ1      LYS  35   4.247 -17.815  20.211
  306    HZ3  LYS  35           HZ2      LYS  35   5.871 -17.544  20.346
  307    H    ASN  36           H        ASN  36  10.066 -22.805  17.512
  308    HA   ASN  36           HA       ASN  36   8.162 -25.081  17.621
  309    HB2  ASN  36           HB2      ASN  36  10.360 -25.367  16.176
  310    HB3  ASN  36           HB3      ASN  36  11.133 -25.607  17.749
  311   HD21  ASN  36          HD21      ASN  36  11.085 -27.718  15.793
  312   HD22  ASN  36          HD22      ASN  36   9.876 -28.890  16.278
  313    H    ARG  37           H        ARG  37   7.440 -25.224  19.639
  314    HA   ARG  37           HA       ARG  37   8.397 -23.119  21.394
  315    HE   ARG  37           HE       ARG  37   3.801 -24.437  22.355
  316    HB2  ARG  37           HB2      ARG  37   6.051 -25.058  21.522
  317    HB3  ARG  37           HB3      ARG  37   6.250 -23.669  22.589
  318    HG2  ARG  37           HG2      ARG  37   5.871 -22.110  20.818
  319    HG3  ARG  37           HG3      ARG  37   6.080 -23.338  19.560
  320    HD2  ARG  37           HD2      ARG  37   3.705 -22.658  19.969
  321    HD3  ARG  37           HD3      ARG  37   4.034 -24.385  20.003
  322   HH11  ARG  37          HH21      ARG  37   2.740 -21.259  20.960
  323   HH12  ARG  37          HH22      ARG  37   1.849 -20.850  22.375
  324   HH21  ARG  37          HH12      ARG  37   2.448 -23.909  24.063
  325   HH22  ARG  37          HH11      ARG  37   1.682 -22.351  24.179
  326    H    ASP  38           H        ASP  38   8.759 -23.348  23.684
  327    HA   ASP  38           HA       ASP  38  10.305 -25.614  24.478
  328    HB2  ASP  38           HB2      ASP  38  10.607 -23.385  25.459
  329    HB3  ASP  38           HB3      ASP  38   8.968 -23.423  26.116
  330    H    ASP  39           H        ASP  39   6.856 -24.920  24.701
  331    HA   ASP  39           HA       ASP  39   6.257 -27.001  26.573
  332    HB2  ASP  39           HB2      ASP  39   4.067 -26.432  26.393
  333    HB3  ASP  39           HB3      ASP  39   4.847 -24.909  26.006
  334    H    GLY  40           H        GLY  40   7.345 -27.241  23.414
  335    HA2  GLY  40           HA2      GLY  40   7.912 -29.377  22.613
  336    HA3  GLY  40           HA3      GLY  40   6.443 -30.064  23.295
  337    H    ARG  41           H        ARG  41   5.087 -27.411  21.973
  338    HA   ARG  41           HA       ARG  41   4.307 -28.986  19.603
  339    HE   ARG  41           HE       ARG  41   1.735 -26.662  22.963
  340    HB2  ARG  41           HB2      ARG  41   3.190 -26.472  20.922
  341    HB3  ARG  41           HB3      ARG  41   2.559 -27.153  19.418
  342    HG2  ARG  41           HG2      ARG  41   2.109 -29.298  20.526
  343    HG3  ARG  41           HG3      ARG  41   2.715 -28.680  22.065
  344    HD2  ARG  41           HD2      ARG  41   0.394 -27.404  20.569
  345    HD3  ARG  41           HD3      ARG  41   0.192 -28.721  21.735
  346   HH11  ARG  41          HH21      ARG  41  -1.623 -27.229  21.895
  347   HH12  ARG  41          HH22      ARG  41  -2.311 -26.291  23.168
  348   HH21  ARG  41          HH11      ARG  41   0.868 -25.539  24.603
  349   HH22  ARG  41          HH12      ARG  41  -0.854 -25.264  24.780
  350    H    VAL  42           H        VAL  42   4.236 -28.079  17.516
  351    HA   VAL  42           HA       VAL  42   6.187 -25.878  16.989
  352    HB   VAL  42           HB       VAL  42   4.554 -27.282  14.856
  353   HG11  VAL  42          HG11      VAL  42   6.418 -26.636  13.403
  354   HG12  VAL  42          HG12      VAL  42   5.804 -25.222  14.248
  355   HG13  VAL  42          HG13      VAL  42   7.313 -25.985  14.793
  356   HG21  VAL  42          HG23      VAL  42   6.415 -28.844  14.416
  357   HG22  VAL  42          HG21      VAL  42   7.221 -28.310  15.903
  358   HG23  VAL  42          HG22      VAL  42   5.657 -29.150  15.970
  359    H    GLU  43           H        GLU  43   5.369 -23.901  16.141
  360    HA   GLU  43           HA       GLU  43   2.446 -23.657  15.794
  361    HB2  GLU  43           HB2      GLU  43   2.737 -22.972  18.041
  362    HB3  GLU  43           HB3      GLU  43   4.170 -21.995  17.658
  363    HG2  GLU  43           HG2      GLU  43   2.819 -20.361  16.498
  364    HG3  GLU  43           HG3      GLU  43   1.397 -21.384  16.561
  365    H    ILE  44           H        ILE  44   1.927 -22.322  14.127
  366    HA   ILE  44           HA       ILE  44   4.090 -20.959  12.629
  367    HB   ILE  44           HB       ILE  44   1.971 -22.640  11.288
  368   HG12  ILE  44          HG12      ILE  44   4.585 -23.844  12.261
  369   HG13  ILE  44          HG13      ILE  44   2.961 -24.304  12.762
  370   HG21  ILE  44          HG21      ILE  44   4.803 -21.909  10.466
  371   HG22  ILE  44          HG22      ILE  44   3.588 -22.695   9.437
  372   HG23  ILE  44          HG23      ILE  44   3.343 -21.038   9.965
  373   HD11  ILE  44          HD13      ILE  44   4.189 -24.782  10.033
  374   HD12  ILE  44          HD11      ILE  44   3.727 -25.965  11.259
  375   HD13  ILE  44          HD12      ILE  44   2.474 -25.033  10.411
  376    H    LEU  45           H        LEU  45   3.277 -19.185  11.437
  377    HA   LEU  45           HA       LEU  45   0.357 -18.801  11.231
  378    HG   LEU  45           HG       LEU  45  -0.720 -16.569  11.653
  379    HB2  LEU  45           HB2      LEU  45   1.163 -17.416  13.142
  380    HB3  LEU  45           HB3      LEU  45   2.307 -16.609  12.072
  381   HD11  LEU  45          HD11      LEU  45   1.044 -14.505  13.037
  382   HD12  LEU  45          HD12      LEU  45  -0.697 -14.348  12.702
  383   HD13  LEU  45          HD13      LEU  45  -0.125 -15.579  13.835
  384   HD21  LEU  45          HD23      LEU  45   0.319 -15.881   9.595
  385   HD22  LEU  45          HD21      LEU  45  -0.129 -14.396  10.407
  386   HD23  LEU  45          HD22      LEU  45   1.561 -14.936  10.450
  387    H    ALA  46           H        ALA  46  -0.027 -18.505   9.039
  388    HA   ALA  46           HA       ALA  46   2.229 -17.638   7.318
  389    HB1  ALA  46           HB3      ALA  46   1.866 -19.527   5.806
  390    HB2  ALA  46           HB1      ALA  46   2.350 -20.107   7.409
  391    HB3  ALA  46           HB2      ALA  46   0.645 -20.210   6.904
  392    H    GLU  47           H        GLU  47   1.558 -16.751   5.366
  393    HA   GLU  47           HA       GLU  47  -1.323 -16.198   5.066
  394    HB2  GLU  47           HB2      GLU  47   0.935 -14.135   5.032
  395    HB3  GLU  47           HB3      GLU  47  -0.795 -13.827   4.783
  396    HG2  GLU  47           HG2      GLU  47  -1.222 -14.727   7.093
  397    HG3  GLU  47           HG3      GLU  47   0.527 -14.778   7.357
  398    H    GLY  48           H        GLY  48  -1.994 -15.987   2.961
  399    HA2  GLY  48           HA2      GLY  48  -0.560 -15.621   0.584
  400    HA3  GLY  48           HA3      GLY  48  -0.363 -17.323   1.013
  401    HA   PRO  49           HA       PRO  49  -4.536 -16.935  -1.030
  402    HB2  PRO  49           HB2      PRO  49  -4.157 -18.668  -3.119
  403    HB3  PRO  49           HB3      PRO  49  -3.742 -16.930  -3.196
  404    HG2  PRO  49           HG2      PRO  49  -1.908 -19.265  -2.672
  405    HG3  PRO  49           HG3      PRO  49  -1.633 -17.862  -3.746
  406    HD2  PRO  49           HD2      PRO  49  -0.609 -18.031  -1.191
  407    HD3  PRO  49           HD3      PRO  49  -1.064 -16.474  -1.945
  408    H    GLU  50           H        GLU  50  -6.163 -18.554  -0.878
  409    HA   GLU  50           HA       GLU  50  -5.850 -20.197   1.349
  410    HB2  GLU  50           HB2      GLU  50  -7.959 -19.189   0.491
  411    HB3  GLU  50           HB3      GLU  50  -7.988 -20.375  -0.817
  412    HG2  GLU  50           HG2      GLU  50  -8.197 -22.210   0.809
  413    HG3  GLU  50           HG3      GLU  50  -8.016 -21.081   2.154
  414    H    ASN  51           H        ASN  51  -5.741 -21.165  -2.128
  415    HA   ASN  51           HA       ASN  51  -5.668 -23.970  -1.595
  416    HB2  ASN  51           HB2      ASN  51  -6.183 -23.082  -3.828
  417    HB3  ASN  51           HB3      ASN  51  -4.557 -22.402  -3.962
  418   HD21  ASN  51          HD22      ASN  51  -3.032 -23.717  -4.997
  419   HD22  ASN  51          HD21      ASN  51  -3.181 -25.443  -5.166
  420    H    ALA  52           H        ALA  52  -3.080 -21.545  -1.736
  421    HA   ALA  52           HA       ALA  52  -0.908 -23.473  -1.626
  422    HB1  ALA  52           HB3      ALA  52  -0.515 -21.190  -2.464
  423    HB2  ALA  52           HB1      ALA  52  -0.971 -20.514  -0.875
  424    HB3  ALA  52           HB2      ALA  52   0.475 -21.517  -1.031
  425    H    LEU  53           H        LEU  53  -2.739 -21.505   0.794
  426    HA   LEU  53           HA       LEU  53  -1.270 -22.448   3.048
  427    HG   LEU  53           HG       LEU  53  -2.150 -19.703   2.355
  428    HB2  LEU  53           HB2      LEU  53  -4.077 -21.321   2.738
  429    HB3  LEU  53           HB3      LEU  53  -3.363 -21.713   4.290
  430   HD11  LEU  53          HD11      LEU  53  -3.822 -19.253   4.866
  431   HD12  LEU  53          HD12      LEU  53  -3.027 -17.994   3.890
  432   HD13  LEU  53          HD13      LEU  53  -4.330 -18.959   3.187
  433   HD21  LEU  53          HD23      LEU  53  -0.834 -18.980   4.321
  434   HD22  LEU  53          HD21      LEU  53  -1.512 -20.315   5.277
  435   HD23  LEU  53          HD22      LEU  53  -0.461 -20.644   3.882
  436    H    GLN  54           H        GLN  54  -4.206 -23.792   1.426
  437    HA   GLN  54           HA       GLN  54  -4.602 -25.920   3.275
  438    HB2  GLN  54           HB2      GLN  54  -5.224 -25.544   0.315
  439    HB3  GLN  54           HB3      GLN  54  -5.624 -27.031   1.157
  440    HG2  GLN  54           HG2      GLN  54  -6.617 -24.292   2.050
  441    HG3  GLN  54           HG3      GLN  54  -7.511 -25.376   0.990
  442   HE21  GLN  54          HE22      GLN  54  -8.298 -27.456   1.882
  443   HE22  GLN  54          HE21      GLN  54  -8.463 -27.646   3.609
  444    H    SER  55           H        SER  55  -2.625 -25.785   0.252
  445    HA   SER  55           HA       SER  55  -1.637 -28.462   0.399
  446    HG   SER  55           HG       SER  55  -2.275 -26.110  -1.666
  447    HB2  SER  55           HB2      SER  55  -0.248 -25.991  -0.734
  448    HB3  SER  55           HB3      SER  55   0.052 -27.681  -1.166
  449    H    PHE  56           H        PHE  56  -0.452 -25.414   1.864
  450    HA   PHE  56           HA       PHE  56   1.941 -26.452   2.967
  451    HD1  PHE  56           HD2      PHE  56   3.865 -24.672   3.512
  452    HD2  PHE  56           HD1      PHE  56   0.508 -23.409   5.913
  453    HE1  PHE  56           HE2      PHE  56   5.417 -23.731   5.209
  454    HE2  PHE  56           HE1      PHE  56   2.064 -22.460   7.585
  455    HZ   PHE  56           HZ       PHE  56   4.516 -22.557   7.202
  456    HB2  PHE  56           HB2      PHE  56   1.474 -24.106   2.574
  457    HB3  PHE  56           HB3      PHE  56   0.149 -24.121   3.719
  458    H    VAL  57           H        VAL  57  -1.396 -26.111   4.419
  459    HA   VAL  57           HA       VAL  57  -0.769 -27.307   6.911
  460    HB   VAL  57           HB       VAL  57  -3.316 -27.189   5.257
  461   HG11  VAL  57          HG11      VAL  57  -3.539 -29.250   6.588
  462   HG12  VAL  57          HG12      VAL  57  -3.047 -28.377   8.055
  463   HG13  VAL  57          HG13      VAL  57  -4.575 -27.982   7.229
  464   HG21  VAL  57          HG23      VAL  57  -2.588 -25.925   7.929
  465   HG22  VAL  57          HG21      VAL  57  -2.438 -25.105   6.360
  466   HG23  VAL  57          HG22      VAL  57  -4.031 -25.610   6.952
  467    H    GLU  58           H        GLU  58  -1.797 -28.816   3.802
  468    HA   GLU  58           HA       GLU  58  -1.941 -31.476   4.601
  469    HB2  GLU  58           HB2      GLU  58  -2.877 -31.065   2.566
  470    HB3  GLU  58           HB3      GLU  58  -1.702 -29.849   2.152
  471    HG2  GLU  58           HG2      GLU  58  -1.541 -31.519   0.565
  472    HG3  GLU  58           HG3      GLU  58  -0.061 -31.456   1.497
  473    H    ALA  59           H        ALA  59   0.871 -29.627   3.473
  474    HA   ALA  59           HA       ALA  59   2.746 -31.791   3.624
  475    HB1  ALA  59           HB3      ALA  59   3.169 -29.743   2.314
  476    HB2  ALA  59           HB1      ALA  59   3.231 -28.782   3.810
  477    HB3  ALA  59           HB2      ALA  59   4.453 -30.026   3.505
  478    H    VAL  60           H        VAL  60   1.865 -29.189   5.953
  479    HA   VAL  60           HA       VAL  60   3.725 -29.972   7.966
  480    HB   VAL  60           HB       VAL  60   1.172 -28.319   8.041
  481   HG11  VAL  60          HG11      VAL  60   1.604 -29.131  10.337
  482   HG12  VAL  60          HG12      VAL  60   3.294 -28.623  10.208
  483   HG13  VAL  60          HG13      VAL  60   1.988 -27.419  10.200
  484   HG21  VAL  60          HG23      VAL  60   2.721 -26.420   8.107
  485   HG22  VAL  60          HG21      VAL  60   4.117 -27.518   8.193
  486   HG23  VAL  60          HG22      VAL  60   3.164 -27.415   6.719
  487    H    LYS  61           H        LYS  61   0.521 -31.336   7.125
  488    HA   LYS  61           HA       LYS  61   0.120 -32.799   9.512
  489    HB2  LYS  61           HB2      LYS  61  -0.389 -33.932   6.734
  490    HB3  LYS  61           HB3      LYS  61  -1.104 -34.433   8.260
  491    HG2  LYS  61           HG2      LYS  61  -2.237 -32.172   8.404
  492    HG3  LYS  61           HG3      LYS  61  -1.598 -31.837   6.789
  493    HD2  LYS  61           HD2      LYS  61  -3.855 -32.531   6.535
  494    HD3  LYS  61           HD3      LYS  61  -2.812 -33.810   5.897
  495    HE2  LYS  61           HE2      LYS  61  -3.106 -35.095   8.012
  496    HE3  LYS  61           HE3      LYS  61  -4.106 -33.793   8.669
  497    HZ1  LYS  61           HZ3      LYS  61  -5.450 -35.584   7.773
  498    HZ2  LYS  61           HZ1      LYS  61  -5.715 -34.233   6.904
  499    HZ3  LYS  61           HZ2      LYS  61  -4.786 -35.433   6.294
  500    H    ASN  62           H        ASN  62   2.456 -33.362   6.875
  501    HA   ASN  62           HA       ASN  62   3.207 -35.972   7.942
  502    HB2  ASN  62           HB2      ASN  62   3.257 -35.486   5.483
  503    HB3  ASN  62           HB3      ASN  62   4.558 -34.325   5.763
  504   HD21  ASN  62          HD22      ASN  62   6.709 -35.148   6.285
  505   HD22  ASN  62          HD21      ASN  62   7.068 -36.856   6.171
  506    H    GLY  63           H        GLY  63   4.534 -32.683   7.734
  507    HA2  GLY  63           HA2      GLY  63   6.215 -31.640   9.014
  508    HA3  GLY  63           HA3      GLY  63   6.449 -33.132   9.937
  509    H    SER  64           H        SER  64   8.795 -32.632   9.503
  510    HA   SER  64           HA       SER  64   9.917 -32.823   6.866
  511    HG   SER  64           HG       SER  64  12.158 -33.408  10.200
  512    HB2  SER  64           HB2      SER  64  12.022 -32.950   8.023
  513    HB3  SER  64           HB3      SER  64  11.009 -31.851   8.953
  514    HA   PRO  65           HA       PRO  65   9.899 -37.275   6.312
  515    HB2  PRO  65           HB2      PRO  65  12.468 -37.922   5.498
  516    HB3  PRO  65           HB3      PRO  65  11.219 -37.177   4.458
  517    HG2  PRO  65           HG2      PRO  65  13.437 -35.796   5.992
  518    HG3  PRO  65           HG3      PRO  65  12.958 -35.557   4.279
  519    HD2  PRO  65           HD2      PRO  65  12.117 -33.868   6.195
  520    HD3  PRO  65           HD3      PRO  65  10.995 -34.375   4.906
  521    H    PHE  66           H        PHE  66  11.912 -35.779   8.713
  522    HA   PHE  66           HA       PHE  66  12.545 -38.371  10.018
  523    HD1  PHE  66           HD1      PHE  66  15.212 -38.696   9.782
  524    HD2  PHE  66           HD2      PHE  66  14.454 -34.536   8.917
  525    HE1  PHE  66           HE1      PHE  66  16.964 -38.738   8.023
  526    HE2  PHE  66           HE2      PHE  66  16.203 -34.584   7.160
  527    HZ   PHE  66           HZ       PHE  66  17.461 -36.684   6.707
  528    HB2  PHE  66           HB2      PHE  66  13.387 -35.558  10.774
  529    HB3  PHE  66           HB3      PHE  66  14.004 -37.060  11.440
  530    H    SER  67           H        SER  67  10.118 -35.899  10.061
  531    HA   SER  67           HA       SER  67   9.564 -35.882  12.897
  532    HG   SER  67           HG       SER  67   9.913 -33.892  10.844
  533    HB2  SER  67           HB2      SER  67   7.877 -35.100  10.479
  534    HB3  SER  67           HB3      SER  67   7.510 -34.711  12.163
  535    H    LYS  68           H        LYS  68   7.575 -36.649  13.790
  536    HA   LYS  68           HA       LYS  68   5.812 -38.250  12.131
  537    HB2  LYS  68           HB2      LYS  68   7.134 -40.054  13.192
  538    HB3  LYS  68           HB3      LYS  68   6.809 -39.372  14.784
  539    HG2  LYS  68           HG2      LYS  68   5.317 -41.209  14.496
  540    HG3  LYS  68           HG3      LYS  68   4.346 -39.747  14.408
  541    HD2  LYS  68           HD2      LYS  68   4.494 -39.974  11.820
  542    HD3  LYS  68           HD3      LYS  68   5.262 -41.534  12.122
  543    HE2  LYS  68           HE2      LYS  68   3.048 -42.164  11.849
  544    HE3  LYS  68           HE3      LYS  68   3.172 -42.045  13.605
  545    HZ1  LYS  68           HZ3      LYS  68   1.966 -40.066  11.758
  546    HZ2  LYS  68           HZ1      LYS  68   1.194 -40.947  12.884
  547    HZ3  LYS  68           HZ2      LYS  68   2.201 -39.735  13.339
  548    H    VAL  69           H        VAL  69   4.435 -36.527  12.200
  549    HA   VAL  69           HA       VAL  69   3.603 -35.106  14.561
  550    HB   VAL  69           HB       VAL  69   2.288 -35.642  11.862
  551   HG11  VAL  69          HG11      VAL  69   0.921 -33.594  12.332
  552   HG12  VAL  69          HG12      VAL  69   0.526 -34.951  13.387
  553   HG13  VAL  69          HG13      VAL  69   1.525 -33.619  14.005
  554   HG21  VAL  69          HG23      VAL  69   3.050 -33.352  11.294
  555   HG22  VAL  69          HG21      VAL  69   3.858 -33.225  12.864
  556   HG23  VAL  69          HG22      VAL  69   4.422 -34.395  11.653
  557    H    THR  70           H        THR  70   1.924 -35.616  15.996
  558    HA   THR  70           HA       THR  70   0.370 -38.109  15.496
  559    HB   THR  70           HB       THR  70   0.379 -38.466  17.936
  560    HG1  THR  70           HG1      THR  70   0.758 -36.513  18.824
  561   HG21  THR  70          HG23      THR  70   3.216 -38.150  16.859
  562   HG22  THR  70          HG21      THR  70   2.687 -39.211  18.182
  563   HG23  THR  70          HG22      THR  70   2.149 -39.532  16.523
  564    H    ASP  71           H        ASP  71   0.294 -34.665  16.185
  565    HA   ASP  71           HA       ASP  71  -2.607 -34.726  15.841
  566    HB2  ASP  71           HB2      ASP  71  -2.400 -34.879  18.307
  567    HB3  ASP  71           HB3      ASP  71  -1.320 -33.481  18.309
  568    H    ILE  72           H        ILE  72  -3.383 -32.671  15.122
  569    HA   ILE  72           HA       ILE  72  -1.566 -30.455  14.767
  570    HB   ILE  72           HB       ILE  72  -0.866 -31.812  12.894
  571   HG12  ILE  72          HG12      ILE  72  -2.641 -29.555  11.878
  572   HG13  ILE  72          HG13      ILE  72  -1.056 -29.352  12.628
  573   HG21  ILE  72          HG21      ILE  72  -3.737 -31.897  11.882
  574   HG22  ILE  72          HG22      ILE  72  -2.307 -32.609  11.106
  575   HG23  ILE  72          HG23      ILE  72  -2.880 -33.262  12.630
  576   HD11  ILE  72          HD13      ILE  72  -1.647 -30.742   9.992
  577   HD12  ILE  72          HD11      ILE  72  -0.793 -29.220  10.243
  578   HD13  ILE  72          HD12      ILE  72  -0.060 -30.747  10.790
  579    H    SER  73           H        SER  73  -2.734 -28.538  14.418
  580    HA   SER  73           HA       SER  73  -5.676 -28.659  14.080
  581    HG   SER  73           HG       SER  73  -5.441 -28.556  17.677
  582    HB2  SER  73           HB2      SER  73  -4.251 -27.140  16.311
  583    HB3  SER  73           HB3      SER  73  -5.989 -27.130  15.975
  584    H    VAL  74           H        VAL  74  -6.527 -26.608  13.331
  585    HA   VAL  74           HA       VAL  74  -4.554 -24.640  12.341
  586    HB   VAL  74           HB       VAL  74  -6.756 -25.907  10.653
  587   HG11  VAL  74          HG11      VAL  74  -5.637 -24.717   8.762
  588   HG12  VAL  74          HG12      VAL  74  -6.305 -23.605   9.948
  589   HG13  VAL  74          HG13      VAL  74  -4.558 -23.916   9.925
  590   HG21  VAL  74          HG23      VAL  74  -4.935 -26.904   9.300
  591   HG22  VAL  74          HG21      VAL  74  -3.748 -26.356  10.501
  592   HG23  VAL  74          HG22      VAL  74  -4.980 -27.566  10.929
  593    H    THR  75           H        THR  75  -5.393 -22.576  12.181
  594    HA   THR  75           HA       THR  75  -8.233 -22.022  12.737
  595    HB   THR  75           HB       THR  75  -5.983 -20.473  14.091
  596    HG1  THR  75           HG1      THR  75  -5.963 -22.562  14.924
  597   HG21  THR  75          HG23      THR  75  -7.816 -19.776  15.653
  598   HG22  THR  75          HG21      THR  75  -8.079 -19.230  13.998
  599   HG23  THR  75          HG22      THR  75  -8.986 -20.629  14.621
  600    H    GLU  76           H        GLU  76  -8.626 -19.623  11.955
  601    HA   GLU  76           HA       GLU  76  -6.610 -18.704  10.022
  602    HB2  GLU  76           HB2      GLU  76  -8.189 -18.594   8.188
  603    HB3  GLU  76           HB3      GLU  76  -8.000 -20.264   8.712
  604    HG2  GLU  76           HG2      GLU  76 -10.158 -20.344   9.682
  605    HG3  GLU  76           HG3      GLU  76 -10.290 -18.587   9.775
  606    H    SER  77           H        SER  77  -7.287 -16.659   9.010
  607    HA   SER  77           HA       SER  77  -9.340 -15.059  10.375
  608    HG   SER  77           HG       SER  77  -5.999 -14.370  11.776
  609    HB2  SER  77           HB2      SER  77  -6.520 -14.023   9.839
  610    HB3  SER  77           HB3      SER  77  -7.859 -13.114  10.538
  611    H    ARG  78           H        ARG  78 -10.461 -13.957   8.746
  612    HA   ARG  78           HA       ARG  78  -9.564 -14.303   5.973
  613    HE   ARG  78           HE       ARG  78 -11.644 -17.370   6.092
  614    HB2  ARG  78           HB2      ARG  78 -11.980 -12.925   7.201
  615    HB3  ARG  78           HB3      ARG  78 -11.654 -12.932   5.467
  616    HG2  ARG  78           HG2      ARG  78 -11.885 -15.489   7.110
  617    HG3  ARG  78           HG3      ARG  78 -13.262 -14.734   6.321
  618    HD2  ARG  78           HD2      ARG  78 -12.672 -15.414   4.238
  619    HD3  ARG  78           HD3      ARG  78 -10.946 -15.162   4.511
  620   HH11  ARG  78          HH21      ARG  78 -11.558 -16.677   2.552
  621   HH12  ARG  78          HH22      ARG  78 -11.047 -18.324   2.210
  622   HH21  ARG  78          HH11      ARG  78 -10.990 -19.485   5.464
  623   HH22  ARG  78          HH12      ARG  78 -10.780 -19.811   3.735
  624    H    SER  79           H        SER  79  -9.393 -11.795   8.454
  625    HA   SER  79           HA       SER  79  -8.100  -9.847   6.693
  626    HG   SER  79           HG       SER  79  -9.761  -8.528   9.616
  627    HB2  SER  79           HB2      SER  79  -8.096 -10.114   9.733
  628    HB3  SER  79           HB3      SER  79  -7.628  -8.691   8.787
  629    H    LEU  80           H        LEU  80  -5.737  -9.329   7.245
  630    HA   LEU  80           HA       LEU  80  -4.148 -11.515   8.326
  631    HG   LEU  80           HG       LEU  80  -2.761  -9.616   5.414
  632    HB2  LEU  80           HB2      LEU  80  -2.805 -11.938   6.470
  633    HB3  LEU  80           HB3      LEU  80  -4.442 -12.134   5.899
  634   HD11  LEU  80          HD11      LEU  80  -3.153 -12.081   3.688
  635   HD12  LEU  80          HD12      LEU  80  -2.356 -10.570   3.170
  636   HD13  LEU  80          HD13      LEU  80  -1.641 -11.550   4.454
  637   HD21  LEU  80          HD23      LEU  80  -5.142  -9.170   5.084
  638   HD22  LEU  80          HD21      LEU  80  -4.350  -9.274   3.516
  639   HD23  LEU  80          HD22      LEU  80  -5.319 -10.644   4.104
  640    H    GLU  81           H        GLU  81  -1.807 -10.865   8.451
  641    HA   GLU  81           HA       GLU  81  -1.596  -8.073   9.320
  642    HB2  GLU  81           HB2      GLU  81  -0.599 -10.024  10.566
  643    HB3  GLU  81           HB3      GLU  81   0.440 -10.329   9.178
  644    HG2  GLU  81           HG2      GLU  81   1.719  -9.169  10.840
  645    HG3  GLU  81           HG3      GLU  81   1.489  -8.081   9.482
  646    H    GLY  82           H        GLY  82  -0.310 -10.226   6.772
  647    HA2  GLY  82           HA2      GLY  82   0.172  -9.641   4.554
  648    HA3  GLY  82           HA3      GLY  82   0.156  -7.916   4.966
  649    H    HIS  83           H        HIS  83   1.879 -10.823   6.263
  650    HA   HIS  83           HA       HIS  83   4.339  -9.530   6.852
  651    HD1  HIS  83           HD1      HIS  83   1.645 -11.966   8.133
  652    HD2  HIS  83           HD2      HIS  83   5.691 -11.789   9.289
  653    HE1  HIS  83           HE1      HIS  83   1.687 -12.260  10.676
  654    HB2  HIS  83           HB2      HIS  83   3.628 -12.417   6.210
  655    HB3  HIS  83           HB3      HIS  83   5.236 -11.907   6.710
  656    H    HIS  84           H        HIS  84   6.341  -9.530   5.725
  657    HA   HIS  84           HA       HIS  84   6.044  -9.239   2.816
  658    HD1  HIS  84           HD1      HIS  84   7.198  -7.149   6.488
  659    HD2  HIS  84           HD2      HIS  84  10.195  -9.539   4.745
  660    HE1  HIS  84           HE1      HIS  84   8.902  -7.609   8.318
  661    HB2  HIS  84           HB2      HIS  84   8.394  -8.305   3.064
  662    HB3  HIS  84           HB3      HIS  84   7.083  -7.417   3.831
  663    H    ARG  85           H        ARG  85   7.639 -11.451   5.070
  664    HA   ARG  85           HA       ARG  85   8.396 -13.259   2.885
  665    HE   ARG  85           HE       ARG  85  12.230 -11.829   0.154
  666    HB2  ARG  85           HB2      ARG  85  10.408 -12.099   4.886
  667    HB3  ARG  85           HB3      ARG  85  10.722 -13.530   3.920
  668    HG2  ARG  85           HG2      ARG  85  10.282 -10.741   2.791
  669    HG3  ARG  85           HG3      ARG  85  11.824 -11.561   3.003
  670    HD2  ARG  85           HD2      ARG  85  11.100 -13.351   1.441
  671    HD3  ARG  85           HD3      ARG  85   9.575 -12.512   1.168
  672   HH11  ARG  85          HH21      ARG  85   8.919 -10.597   0.647
  673   HH12  ARG  85          HH22      ARG  85   9.049  -9.400  -0.596
  674   HH21  ARG  85          HH11      ARG  85  12.391 -10.217  -1.463
  675   HH22  ARG  85          HH12      ARG  85  11.065  -9.171  -1.801
  676    H    PHE  86           H        PHE  86   9.551 -15.268   4.220
  677    HA   PHE  86           HA       PHE  86   7.747 -15.810   6.517
  678    HD1  PHE  86           HD1      PHE  86   5.500 -17.734   5.953
  679    HD2  PHE  86           HD2      PHE  86   9.440 -19.376   6.567
  680    HE1  PHE  86           HE1      PHE  86   4.580 -19.305   7.630
  681    HE2  PHE  86           HE2      PHE  86   8.499 -21.000   8.186
  682    HZ   PHE  86           HZ       PHE  86   6.067 -20.944   8.736
  683    HB2  PHE  86           HB2      PHE  86   7.337 -17.180   4.450
  684    HB3  PHE  86           HB3      PHE  86   8.947 -17.862   4.645
  685    H    SER  87           H        SER  87   8.770 -16.288   8.455
  686    HA   SER  87           HA       SER  87  11.753 -16.622   8.380
  687    HG   SER  87           HG       SER  87  11.079 -13.176   9.104
  688    HB2  SER  87           HB2      SER  87  10.114 -14.907  10.280
  689    HB3  SER  87           HB3      SER  87  11.878 -15.027  10.200
  690    H    ILE  88           H        ILE  88  12.702 -18.002   9.837
  691    HA   ILE  88           HA       ILE  88  11.028 -19.498  11.751
  692    HB   ILE  88           HB       ILE  88  14.038 -19.444  11.266
  693   HG12  ILE  88          HG12      ILE  88  12.062 -21.677  10.586
  694   HG13  ILE  88          HG13      ILE  88  12.526 -20.452   9.417
  695   HG21  ILE  88          HG21      ILE  88  13.519 -20.061  13.602
  696   HG22  ILE  88          HG22      ILE  88  12.344 -21.266  13.043
  697   HG23  ILE  88          HG23      ILE  88  14.084 -21.472  12.725
  698   HD11  ILE  88          HD13      ILE  88  13.842 -22.420   9.053
  699   HD12  ILE  88          HD11      ILE  88  14.887 -21.099   9.609
  700   HD13  ILE  88          HD12      ILE  88  14.435 -22.419  10.720
  701    H    VAL  89           H        VAL  89  10.786 -18.828  13.866
  702    HA   VAL  89           HA       VAL  89  12.452 -16.625  14.919
  703    HB   VAL  89           HB       VAL  89  10.540 -15.430  15.757
  704   HG11  VAL  89          HG11      VAL  89   9.634 -14.479  13.734
  705   HG12  VAL  89          HG12      VAL  89  11.344 -14.855  13.482
  706   HG13  VAL  89          HG13      VAL  89  10.089 -15.906  12.787
  707   HG21  VAL  89          HG23      VAL  89   8.765 -17.495  14.396
  708   HG22  VAL  89          HG21      VAL  89   8.893 -17.162  16.137
  709   HG23  VAL  89          HG22      VAL  89   8.207 -15.947  15.061
  710    H    TYR  90           H        TYR  90  11.865 -16.423  17.405
  711    HA   TYR  90           HA       TYR  90  11.966 -19.203  18.485
  712    HD1  TYR  90           HD2      TYR  90  14.471 -20.541  18.067
  713    HD2  TYR  90           HD1      TYR  90  14.738 -16.449  16.725
  714    HE1  TYR  90           HE2      TYR  90  15.717 -21.285  16.049
  715    HE2  TYR  90           HE1      TYR  90  15.960 -17.180  14.705
  716    HH   TYR  90           HH       TYR  90  16.857 -18.986  13.532
  717    HB2  TYR  90           HB2      TYR  90  13.956 -16.956  18.967
  718    HB3  TYR  90           HB3      TYR  90  14.045 -18.589  19.608
  719    H    SER  91           H        SER  91  10.060 -16.659  18.765
  720    HA   SER  91           HA       SER  91   9.719 -16.879  21.688
  721    HG   SER  91           HG       SER  91  11.672 -13.845  21.529
  722    HB2  SER  91           HB2      SER  91   9.822 -14.221  20.190
  723    HB3  SER  91           HB3      SER  91   9.474 -14.457  21.907
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -5.724 -11.509  -0.806
    2    H2   MET   1           H2       MET   1  -6.938 -11.660   0.287
    3    H3   MET   1           H3       MET   1  -5.528 -10.981   0.740
    4    HA   MET   1           HA       MET   1  -5.929 -13.767  -0.085
    5    HB2  MET   1           HB2      MET   1  -3.665 -14.244   0.455
    6    HB3  MET   1           HB3      MET   1  -3.704 -12.951  -0.720
    7    HG2  MET   1           HG2      MET   1  -3.056 -11.320   0.939
    8    HG3  MET   1           HG3      MET   1  -3.326 -12.472   2.252
    9    HE1  MET   1           HE3      MET   1   0.225 -12.803  -0.736
   10    HE2  MET   1           HE1      MET   1  -1.406 -13.315  -1.208
   11    HE3  MET   1           HE2      MET   1  -1.075 -11.598  -0.869
   12    H    LEU   2           H        LEU   2  -4.644 -15.000   2.104
   13    HA   LEU   2           HA       LEU   2  -6.558 -14.389   4.304
   14    HG   LEU   2           HG       LEU   2  -6.438 -17.476   5.306
   15    HB2  LEU   2           HB2      LEU   2  -7.356 -16.153   2.715
   16    HB3  LEU   2           HB3      LEU   2  -5.847 -17.025   2.925
   17   HD11  LEU   2          HD11      LEU   2  -8.684 -17.041   6.117
   18   HD12  LEU   2          HD12      LEU   2  -7.963 -15.495   5.651
   19   HD13  LEU   2          HD13      LEU   2  -9.147 -16.265   4.582
   20   HD21  LEU   2          HD23      LEU   2  -8.244 -19.086   4.813
   21   HD22  LEU   2          HD21      LEU   2  -8.503 -18.309   3.240
   22   HD23  LEU   2          HD22      LEU   2  -6.959 -19.118   3.597
   23    H    GLN   3           H        GLN   3  -5.908 -15.508   6.377
   24    HA   GLN   3           HA       GLN   3  -3.018 -16.112   6.544
   25    HB2  GLN   3           HB2      GLN   3  -3.592 -13.791   7.404
   26    HB3  GLN   3           HB3      GLN   3  -4.638 -14.555   8.588
   27    HG2  GLN   3           HG2      GLN   3  -2.653 -15.743   9.538
   28    HG3  GLN   3           HG3      GLN   3  -1.637 -14.967   8.320
   29   HE21  GLN   3          HE22      GLN   3  -0.520 -13.209   9.072
   30   HE22  GLN   3          HE21      GLN   3  -1.045 -12.185  10.386
   31    H    TYR   4           H        TYR   4  -2.556 -17.828   7.897
   32    HA   TYR   4           HA       TYR   4  -4.773 -19.231   9.319
   33    HD1  TYR   4           HD2      TYR   4  -6.055 -19.619   7.599
   34    HD2  TYR   4           HD1      TYR   4  -3.324 -22.893   6.929
   35    HE1  TYR   4           HE2      TYR   4  -7.797 -20.810   6.340
   36    HE2  TYR   4           HE1      TYR   4  -5.063 -24.081   5.639
   37    HH   TYR   4           HH       TYR   4  -7.272 -24.044   4.878
   38    HB2  TYR   4           HB2      TYR   4  -2.581 -20.343   7.536
   39    HB3  TYR   4           HB3      TYR   4  -3.142 -21.261   8.907
   40    H    ARG   5           H        ARG   5  -4.107 -20.287  11.203
   41    HA   ARG   5           HA       ARG   5  -1.300 -19.959  12.081
   42    HE   ARG   5           HE       ARG   5  -3.322 -17.662  15.796
   43    HB2  ARG   5           HB2      ARG   5  -2.791 -18.518  13.526
   44    HB3  ARG   5           HB3      ARG   5  -3.728 -19.963  13.928
   45    HG2  ARG   5           HG2      ARG   5  -1.576 -20.985  14.855
   46    HG3  ARG   5           HG3      ARG   5  -0.802 -19.413  14.615
   47    HD2  ARG   5           HD2      ARG   5  -3.255 -19.965  16.345
   48    HD3  ARG   5           HD3      ARG   5  -1.616 -19.811  16.947
   49   HH11  ARG   5          HH21      ARG   5  -0.364 -18.494  17.664
   50   HH12  ARG   5          HH22      ARG   5  -0.046 -16.846  18.064
   51   HH21  ARG   5          HH11      ARG   5  -2.865 -15.513  16.390
   52   HH22  ARG   5          HH12      ARG   5  -1.489 -15.137  17.349
   53    H    ILE   6           H        ILE   6  -0.489 -22.006  12.746
   54    HA   ILE   6           HA       ILE   6  -2.350 -24.319  12.568
   55    HB   ILE   6           HB       ILE   6   0.389 -24.203  11.275
   56   HG12  ILE   6          HG12      ILE   6  -2.241 -24.255   9.741
   57   HG13  ILE   6          HG13      ILE   6  -1.339 -22.773  10.029
   58   HG21  ILE   6          HG21      ILE   6  -0.232 -26.453  12.010
   59   HG22  ILE   6          HG22      ILE   6  -1.778 -26.335  11.150
   60   HG23  ILE   6          HG23      ILE   6  -0.249 -26.378  10.257
   61   HD11  ILE   6          HD13      ILE   6   0.627 -23.661   8.860
   62   HD12  ILE   6          HD11      ILE   6  -0.285 -25.125   8.436
   63   HD13  ILE   6          HD12      ILE   6  -0.815 -23.544   7.837
   64    H    ILE   7           H        ILE   7  -1.765 -25.955  14.024
   65    HA   ILE   7           HA       ILE   7   0.573 -25.487  15.807
   66    HB   ILE   7           HB       ILE   7  -2.205 -26.406  16.656
   67   HG12  ILE   7          HG12      ILE   7  -2.282 -23.984  16.233
   68   HG13  ILE   7          HG13      ILE   7  -2.488 -24.378  17.926
   69   HG21  ILE   7          HG21      ILE   7  -0.541 -27.487  18.020
   70   HG22  ILE   7          HG22      ILE   7   0.339 -25.966  18.273
   71   HG23  ILE   7          HG23      ILE   7  -1.275 -26.204  18.983
   72   HD11  ILE   7          HD13      ILE   7  -1.068 -22.387  17.593
   73   HD12  ILE   7          HD11      ILE   7  -0.185 -23.678  18.427
   74   HD13  ILE   7          HD12      ILE   7   0.112 -23.365  16.707
   75    H    VAL   8           H        VAL   8   1.650 -27.451  16.281
   76    HA   VAL   8           HA       VAL   8   0.551 -29.940  15.094
   77    HB   VAL   8           HB       VAL   8   3.469 -29.320  14.705
   78   HG11  VAL   8          HG11      VAL   8   2.584 -31.549  14.201
   79   HG12  VAL   8          HG12      VAL   8   1.419 -30.853  13.057
   80   HG13  VAL   8          HG13      VAL   8   3.161 -30.763  12.729
   81   HG21  VAL   8          HG23      VAL   8   2.511 -27.286  13.712
   82   HG22  VAL   8          HG21      VAL   8   3.128 -28.369  12.475
   83   HG23  VAL   8          HG22      VAL   8   1.375 -28.275  12.760
   84    H    ASP   9           H        ASP   9   1.282 -31.830  16.180
   85    HA   ASP   9           HA       ASP   9   3.125 -31.494  18.467
   86    HB2  ASP   9           HB2      ASP   9   0.760 -31.291  19.312
   87    HB3  ASP   9           HB3      ASP   9   0.424 -32.873  18.617
   88    H    GLY  10           H        GLY  10   3.981 -33.560  19.184
   89    HA2  GLY  10           HA2      GLY  10   3.988 -36.063  18.571
   90    HA3  GLY  10           HA3      GLY  10   4.302 -35.467  16.935
   91    H    ARG  11           H        ARG  11   6.364 -36.649  17.102
   92    HA   ARG  11           HA       ARG  11   8.519 -35.259  18.603
   93    HE   ARG  11           HE       ARG  11  12.926 -37.439  18.159
   94    HB2  ARG  11           HB2      ARG  11   8.717 -37.720  17.981
   95    HB3  ARG  11           HB3      ARG  11   8.799 -37.224  16.288
   96    HG2  ARG  11           HG2      ARG  11  10.783 -35.708  16.996
   97    HG3  ARG  11           HG3      ARG  11  10.746 -36.596  18.527
   98    HD2  ARG  11           HD2      ARG  11  10.960 -38.739  17.150
   99    HD3  ARG  11           HD3      ARG  11  11.215 -37.715  15.730
  100   HH11  ARG  11          HH11      ARG  11  12.809 -38.111  14.639
  101   HH12  ARG  11          HH12      ARG  11  14.490 -38.494  14.559
  102   HH21  ARG  11          HH21      ARG  11  15.165 -37.767  17.955
  103   HH22  ARG  11          HH22      ARG  11  15.863 -38.177  16.437
  104    H    VAL  12           H        VAL  12   8.024 -33.097  17.937
  105    HA   VAL  12           HA       VAL  12   8.458 -32.524  15.041
  106    HB   VAL  12           HB       VAL  12   6.730 -30.786  15.211
  107   HG11  VAL  12          HG11      VAL  12   4.810 -32.240  15.098
  108   HG12  VAL  12          HG12      VAL  12   6.203 -33.058  14.368
  109   HG13  VAL  12          HG13      VAL  12   5.649 -33.522  15.983
  110   HG21  VAL  12          HG23      VAL  12   5.164 -30.648  17.041
  111   HG22  VAL  12          HG21      VAL  12   5.959 -31.966  17.916
  112   HG23  VAL  12          HG22      VAL  12   6.788 -30.419  17.705
  113    H    GLN  13           H        GLN  13  10.297 -32.348  17.559
  114    HA   GLN  13           HA       GLN  13  11.390 -29.717  16.784
  115    HB2  GLN  13           HB2      GLN  13  11.095 -30.613  19.689
  116    HB3  GLN  13           HB3      GLN  13  11.949 -29.187  19.096
  117    HG2  GLN  13           HG2      GLN  13   9.703 -28.384  18.159
  118    HG3  GLN  13           HG3      GLN  13   8.950 -29.698  19.056
  119   HE21  GLN  13          HE22      GLN  13   7.976 -27.303  19.776
  120   HE22  GLN  13          HE21      GLN  13   8.696 -26.690  21.238
  121    H    GLY  14           H        GLY  14  13.653 -29.758  16.768
  122    HA2  GLY  14           HA2      GLY  14  15.776 -30.608  16.943
  123    HA3  GLY  14           HA3      GLY  14  15.213 -31.897  18.028
  124    H    VAL  15           H        VAL  15  13.853 -31.088  14.832
  125    HA   VAL  15           HA       VAL  15  14.882 -33.608  13.641
  126    HB   VAL  15           HB       VAL  15  12.570 -34.208  12.900
  127   HG11  VAL  15          HG11      VAL  15  12.868 -34.227  15.920
  128   HG12  VAL  15          HG12      VAL  15  11.917 -35.332  14.913
  129   HG13  VAL  15          HG13      VAL  15  13.682 -35.340  14.802
  130   HG21  VAL  15          HG23      VAL  15  11.646 -32.155  14.942
  131   HG22  VAL  15          HG21      VAL  15  11.398 -32.105  13.188
  132   HG23  VAL  15          HG22      VAL  15  10.622 -33.369  14.154
  133    H    GLY  16           H        GLY  16  14.461 -30.314  13.330
  134    HA2  GLY  16           HA2      GLY  16  15.331 -29.107  11.522
  135    HA3  GLY  16           HA3      GLY  16  15.047 -30.474  10.423
  136    H    PHE  17           H        PHE  17  12.629 -29.432  12.848
  137    HA   PHE  17           HA       PHE  17  10.638 -29.673  10.774
  138    HD1  PHE  17           HD2      PHE  17   7.934 -27.662  12.084
  139    HD2  PHE  17           HD1      PHE  17   9.060 -31.782  12.618
  140    HE1  PHE  17           HE2      PHE  17   5.649 -28.375  11.419
  141    HE2  PHE  17           HE1      PHE  17   6.774 -32.495  11.970
  142    HZ   PHE  17           HZ       PHE  17   5.068 -30.794  11.345
  143    HB2  PHE  17           HB2      PHE  17  10.493 -30.045  13.403
  144    HB3  PHE  17           HB3      PHE  17  10.016 -28.360  13.414
  145    H    ARG  18           H        ARG  18  12.080 -26.826  12.522
  146    HA   ARG  18           HA       ARG  18  10.270 -24.969  11.281
  147    HE   ARG  18           HE       ARG  18  13.081 -25.483  14.885
  148    HB2  ARG  18           HB2      ARG  18  13.032 -24.619  12.511
  149    HB3  ARG  18           HB3      ARG  18  12.032 -23.279  11.947
  150    HG2  ARG  18           HG2      ARG  18  10.310 -23.692  13.521
  151    HG3  ARG  18           HG3      ARG  18  10.937 -25.278  13.964
  152    HD2  ARG  18           HD2      ARG  18  12.476 -22.702  14.450
  153    HD3  ARG  18           HD3      ARG  18  11.330 -23.389  15.611
  154   HH11  ARG  18          HH21      ARG  18  13.327 -22.312  16.519
  155   HH12  ARG  18          HH22      ARG  18  14.392 -22.917  17.781
  156   HH21  ARG  18          HH11      ARG  18  14.372 -26.239  16.509
  157   HH22  ARG  18          HH12      ARG  18  15.193 -25.146  17.626
  158    H    TYR  19           H        TYR  19  13.505 -26.155  10.221
  159    HA   TYR  19           HA       TYR  19  13.628 -24.408   7.931
  160    HD1  TYR  19           HD2      TYR  19  16.337 -24.062   6.882
  161    HD2  TYR  19           HD1      TYR  19  15.985 -25.949  10.751
  162    HE1  TYR  19           HE2      TYR  19  18.057 -22.530   7.777
  163    HE2  TYR  19           HE1      TYR  19  17.702 -24.413  11.658
  164    HH   TYR  19           HH       TYR  19  19.320 -21.916   9.634
  165    HB2  TYR  19           HB2      TYR  19  15.009 -27.002   8.717
  166    HB3  TYR  19           HB3      TYR  19  15.249 -26.261   7.149
  167    H    PHE  20           H        PHE  20  12.373 -27.781   8.409
  168    HA   PHE  20           HA       PHE  20  11.647 -28.236   5.723
  169    HD1  PHE  20           HD2      PHE  20  10.671 -30.875   5.033
  170    HD2  PHE  20           HD1      PHE  20   8.105 -29.254   8.103
  171    HE1  PHE  20           HE2      PHE  20   8.697 -31.914   3.943
  172    HE2  PHE  20           HE1      PHE  20   6.135 -30.264   6.983
  173    HZ   PHE  20           HZ       PHE  20   6.429 -31.609   4.916
  174    HB2  PHE  20           HB2      PHE  20  11.572 -30.037   7.273
  175    HB3  PHE  20           HB3      PHE  20  10.489 -29.181   8.359
  176    H    VAL  21           H        VAL  21   9.699 -26.696   8.374
  177    HA   VAL  21           HA       VAL  21   7.467 -26.159   6.698
  178    HB   VAL  21           HB       VAL  21   8.426 -24.887   9.284
  179   HG11  VAL  21          HG11      VAL  21   5.718 -24.593   7.915
  180   HG12  VAL  21          HG12      VAL  21   6.125 -24.014   9.542
  181   HG13  VAL  21          HG13      VAL  21   6.913 -23.297   8.136
  182   HG21  VAL  21          HG23      VAL  21   6.216 -26.915   8.673
  183   HG22  VAL  21          HG21      VAL  21   7.754 -27.295   9.445
  184   HG23  VAL  21          HG22      VAL  21   6.598 -26.255  10.277
  185    H    GLN  22           H        GLN  22  10.437 -24.168   7.361
  186    HA   GLN  22           HA       GLN  22   9.526 -21.916   5.884
  187    HB2  GLN  22           HB2      GLN  22  11.485 -21.857   7.381
  188    HB3  GLN  22           HB3      GLN  22  12.388 -22.902   6.271
  189    HG2  GLN  22           HG2      GLN  22  12.249 -21.197   4.510
  190    HG3  GLN  22           HG3      GLN  22  11.254 -20.168   5.540
  191   HE21  GLN  22          HE22      GLN  22  12.362 -18.571   6.732
  192   HE22  GLN  22          HE21      GLN  22  14.089 -18.613   6.989
  193    H    MET  23           H        MET  23  11.171 -24.932   4.762
  194    HA   MET  23           HA       MET  23  11.352 -23.998   2.025
  195    HB2  MET  23           HB2      MET  23  11.446 -26.801   3.244
  196    HB3  MET  23           HB3      MET  23  11.763 -26.445   1.541
  197    HG2  MET  23           HG2      MET  23  13.668 -25.049   2.115
  198    HG3  MET  23           HG3      MET  23  13.328 -25.208   3.836
  199    HE1  MET  23           HE3      MET  23  15.709 -25.906   4.493
  200    HE2  MET  23           HE1      MET  23  16.658 -27.148   3.648
  201    HE3  MET  23           HE2      MET  23  16.200 -25.652   2.803
  202    H    GLU  24           H        GLU  24   8.844 -25.872   3.847
  203    HA   GLU  24           HA       GLU  24   7.249 -26.329   1.494
  204    HB2  GLU  24           HB2      GLU  24   6.648 -26.437   4.479
  205    HB3  GLU  24           HB3      GLU  24   5.468 -26.837   3.241
  206    HG2  GLU  24           HG2      GLU  24   8.094 -28.275   3.755
  207    HG3  GLU  24           HG3      GLU  24   6.467 -28.868   4.062
  208    H    ALA  25           H        ALA  25   7.596 -23.555   3.634
  209    HA   ALA  25           HA       ALA  25   5.288 -22.168   2.504
  210    HB1  ALA  25           HB3      ALA  25   6.392 -20.156   3.487
  211    HB2  ALA  25           HB1      ALA  25   6.199 -21.466   4.671
  212    HB3  ALA  25           HB2      ALA  25   7.784 -21.141   3.942
  213    H    ASP  26           H        ASP  26   8.842 -22.291   1.900
  214    HA   ASP  26           HA       ASP  26   8.944 -20.312  -0.075
  215    HB2  ASP  26           HB2      ASP  26  10.940 -21.281   1.105
  216    HB3  ASP  26           HB3      ASP  26  10.733 -22.756   0.174
  217    H    LYS  27           H        LYS  27   8.395 -23.839  -0.453
  218    HA   LYS  27           HA       LYS  27   8.606 -23.880  -3.256
  219    HB2  LYS  27           HB2      LYS  27   7.568 -26.038  -3.232
  220    HB3  LYS  27           HB3      LYS  27   8.619 -25.873  -1.840
  221    HG2  LYS  27           HG2      LYS  27   6.846 -26.876  -0.831
  222    HG3  LYS  27           HG3      LYS  27   6.397 -25.189  -0.589
  223    HD2  LYS  27           HD2      LYS  27   4.930 -25.375  -2.656
  224    HD3  LYS  27           HD3      LYS  27   5.311 -27.087  -2.726
  225    HE2  LYS  27           HE2      LYS  27   4.096 -25.743  -0.265
  226    HE3  LYS  27           HE3      LYS  27   3.107 -26.352  -1.599
  227    HZ1  LYS  27           HZ3      LYS  27   4.907 -28.011   0.088
  228    HZ2  LYS  27           HZ1      LYS  27   3.276 -27.999   0.120
  229    HZ3  LYS  27           HZ2      LYS  27   4.053 -28.563  -1.201
  230    H    ARG  28           H        ARG  28   6.076 -22.396  -1.429
  231    HA   ARG  28           HA       ARG  28   4.740 -21.796  -4.000
  232    HE   ARG  28           HE       ARG  28   0.277 -22.358  -5.044
  233    HB2  ARG  28           HB2      ARG  28   3.543 -23.550  -2.394
  234    HB3  ARG  28           HB3      ARG  28   3.017 -22.113  -1.518
  235    HG2  ARG  28           HG2      ARG  28   1.815 -21.299  -3.420
  236    HG3  ARG  28           HG3      ARG  28   2.669 -22.385  -4.532
  237    HD2  ARG  28           HD2      ARG  28   1.563 -24.344  -3.580
  238    HD3  ARG  28           HD3      ARG  28   0.742 -23.341  -2.380
  239   HH11  ARG  28          HH21      ARG  28  -0.863 -25.017  -2.895
  240   HH12  ARG  28          HH22      ARG  28  -2.378 -25.118  -3.733
  241   HH21  ARG  28          HH11      ARG  28  -1.753 -22.624  -6.091
  242   HH22  ARG  28          HH12      ARG  28  -2.869 -23.816  -5.486
  243    H    LYS  29           H        LYS  29   6.780 -20.512  -2.291
  244    HA   LYS  29           HA       LYS  29   7.203 -18.785  -0.892
  245    HB2  LYS  29           HB2      LYS  29   6.319 -17.497  -3.492
  246    HB3  LYS  29           HB3      LYS  29   7.212 -16.661  -2.205
  247    HG2  LYS  29           HG2      LYS  29   8.950 -18.497  -2.303
  248    HG3  LYS  29           HG3      LYS  29   8.151 -19.096  -3.769
  249    HD2  LYS  29           HD2      LYS  29   8.574 -16.965  -4.901
  250    HD3  LYS  29           HD3      LYS  29   9.313 -16.291  -3.442
  251    HE2  LYS  29           HE2      LYS  29  10.331 -18.763  -4.925
  252    HE3  LYS  29           HE3      LYS  29  10.945 -17.127  -5.178
  253    HZ1  LYS  29           HZ3      LYS  29  11.618 -17.100  -2.832
  254    HZ2  LYS  29           HZ1      LYS  29  11.145 -18.662  -2.630
  255    HZ3  LYS  29           HZ2      LYS  29  12.351 -18.292  -3.659
  256    H    LEU  30           H        LEU  30   5.229 -19.619   0.372
  257    HA   LEU  30           HA       LEU  30   3.267 -17.543   1.015
  258    HG   LEU  30           HG       LEU  30   2.844 -20.593   0.604
  259    HB2  LEU  30           HB2      LEU  30   4.339 -19.976   2.510
  260    HB3  LEU  30           HB3      LEU  30   3.096 -18.910   3.137
  261   HD11  LEU  30          HD11      LEU  30   1.641 -20.894   3.389
  262   HD12  LEU  30          HD12      LEU  30   1.204 -21.857   1.961
  263   HD13  LEU  30          HD13      LEU  30   2.845 -21.953   2.627
  264   HD21  LEU  30          HD23      LEU  30   1.444 -18.607   0.376
  265   HD22  LEU  30          HD21      LEU  30   0.405 -19.968   0.810
  266   HD23  LEU  30          HD22      LEU  30   0.861 -18.796   2.050
  267    H    ALA  31           H        ALA  31   3.378 -16.560   3.216
  268    HA   ALA  31           HA       ALA  31   6.117 -15.892   4.171
  269    HB1  ALA  31           HB3      ALA  31   5.428 -14.004   2.807
  270    HB2  ALA  31           HB1      ALA  31   3.814 -14.023   3.556
  271    HB3  ALA  31           HB2      ALA  31   5.233 -13.551   4.517
  272    H    GLY  32           H        GLY  32   5.902 -15.000   6.513
  273    HA2  GLY  32           HA2      GLY  32   3.928 -15.284   8.332
  274    HA3  GLY  32           HA3      GLY  32   4.204 -16.966   7.841
  275    H    TRP  33           H        TRP  33   4.814 -17.502   9.929
  276    HA   TRP  33           HA       TRP  33   7.648 -17.617   9.972
  277    HD1  TRP  33           HD1      TRP  33   6.104 -18.276  13.948
  278    HE1  TRP  33           HE1      TRP  33   4.261 -17.223  15.362
  279    HE3  TRP  33           HE3      TRP  33   5.728 -13.767  11.545
  280    HZ2  TRP  33           HZ2      TRP  33   2.932 -14.660  15.568
  281    HZ3  TRP  33           HZ3      TRP  33   4.166 -12.033  12.382
  282    HH2  TRP  33           HH2      TRP  33   2.775 -12.461  14.398
  283    HB2  TRP  33           HB2      TRP  33   7.999 -17.040  12.328
  284    HB3  TRP  33           HB3      TRP  33   7.422 -15.661  11.422
  285    H    VAL  34           H        VAL  34   8.373 -19.251  11.640
  286    HA   VAL  34           HA       VAL  34   6.271 -21.081  12.628
  287    HB   VAL  34           HB       VAL  34   7.140 -22.052  10.547
  288   HG11  VAL  34          HG11      VAL  34   9.417 -21.029  10.508
  289   HG12  VAL  34          HG12      VAL  34   9.901 -22.092  11.831
  290   HG13  VAL  34          HG13      VAL  34   9.438 -22.778  10.260
  291   HG21  VAL  34          HG23      VAL  34   6.486 -23.529  12.420
  292   HG22  VAL  34          HG21      VAL  34   7.745 -24.259  11.415
  293   HG23  VAL  34          HG22      VAL  34   8.152 -23.571  12.989
  294    H    LYS  35           H        LYS  35   6.785 -21.965  14.658
  295    HA   LYS  35           HA       LYS  35   9.378 -21.253  15.884
  296    HB2  LYS  35           HB2      LYS  35   8.202 -20.363  17.893
  297    HB3  LYS  35           HB3      LYS  35   7.921 -19.369  16.460
  298    HG2  LYS  35           HG2      LYS  35   5.724 -20.407  16.116
  299    HG3  LYS  35           HG3      LYS  35   5.969 -21.441  17.527
  300    HD2  LYS  35           HD2      LYS  35   5.898 -18.402  17.674
  301    HD3  LYS  35           HD3      LYS  35   4.480 -19.452  17.773
  302    HE2  LYS  35           HE2      LYS  35   5.792 -20.688  19.664
  303    HE3  LYS  35           HE3      LYS  35   6.739 -19.196  19.759
  304    HZ1  LYS  35           HZ3      LYS  35   3.776 -19.382  19.962
  305    HZ2  LYS  35           HZ1      LYS  35   4.789 -19.184  21.249
  306    HZ3  LYS  35           HZ2      LYS  35   4.649 -18.000  20.135
  307    H    ASN  36           H        ASN  36   9.960 -22.588  17.554
  308    HA   ASN  36           HA       ASN  36   8.381 -25.063  18.057
  309    HB2  ASN  36           HB2      ASN  36  11.173 -24.075  18.780
  310    HB3  ASN  36           HB3      ASN  36  10.410 -25.357  19.684
  311   HD21  ASN  36          HD22      ASN  36  12.505 -26.421  18.822
  312   HD22  ASN  36          HD21      ASN  36  12.511 -27.109  17.210
  313    H    ARG  37           H        ARG  37   6.875 -24.869  19.717
  314    HA   ARG  37           HA       ARG  37   6.913 -22.513  21.496
  315    HE   ARG  37           HE       ARG  37   2.316 -21.767  19.999
  316    HB2  ARG  37           HB2      ARG  37   5.178 -25.036  21.397
  317    HB3  ARG  37           HB3      ARG  37   5.016 -23.761  22.604
  318    HG2  ARG  37           HG2      ARG  37   4.500 -22.107  20.821
  319    HG3  ARG  37           HG3      ARG  37   4.578 -23.392  19.602
  320    HD2  ARG  37           HD2      ARG  37   2.673 -24.512  20.481
  321    HD3  ARG  37           HD3      ARG  37   2.809 -23.701  22.054
  322   HH11  ARG  37          HH21      ARG  37   0.674 -24.170  22.049
  323   HH12  ARG  37          HH22      ARG  37  -0.855 -23.382  21.976
  324   HH21  ARG  37          HH11      ARG  37   0.259 -20.802  19.781
  325   HH22  ARG  37          HH12      ARG  37  -1.081 -21.391  20.711
  326    H    ASP  38           H        ASP  38   7.433 -22.644  23.745
  327    HA   ASP  38           HA       ASP  38   9.381 -24.566  24.578
  328    HB2  ASP  38           HB2      ASP  38   9.201 -22.328  25.572
  329    HB3  ASP  38           HB3      ASP  38   7.585 -22.699  26.180
  330    H    ASP  39           H        ASP  39   5.893 -24.591  24.614
  331    HA   ASP  39           HA       ASP  39   5.319 -26.666  26.430
  332    HB2  ASP  39           HB2      ASP  39   3.635 -25.207  25.442
  333    HB3  ASP  39           HB3      ASP  39   4.013 -25.800  23.824
  334    H    GLY  40           H        GLY  40   6.965 -26.847  23.343
  335    HA2  GLY  40           HA2      GLY  40   8.122 -28.801  22.662
  336    HA3  GLY  40           HA3      GLY  40   6.902 -29.825  23.425
  337    H    ARG  41           H        ARG  41   4.851 -27.808  22.102
  338    HA   ARG  41           HA       ARG  41   4.417 -29.260  19.614
  339    HE   ARG  41           HE       ARG  41  -0.792 -29.753  20.871
  340    HB2  ARG  41           HB2      ARG  41   3.087 -26.912  21.036
  341    HB3  ARG  41           HB3      ARG  41   2.604 -27.392  19.404
  342    HG2  ARG  41           HG2      ARG  41   2.101 -29.657  20.142
  343    HG3  ARG  41           HG3      ARG  41   2.627 -29.294  21.787
  344    HD2  ARG  41           HD2      ARG  41   0.811 -27.643  22.037
  345    HD3  ARG  41           HD3      ARG  41   0.352 -27.868  20.348
  346   HH11  ARG  41          HH21      ARG  41   1.301 -28.999  23.675
  347   HH12  ARG  41          HH22      ARG  41   0.595 -30.227  24.670
  348   HH21  ARG  41          HH11      ARG  41  -1.695 -31.373  22.215
  349   HH22  ARG  41          HH12      ARG  41  -1.135 -31.591  23.828
  350    H    VAL  42           H        VAL  42   3.989 -27.913  17.631
  351    HA   VAL  42           HA       VAL  42   5.993 -25.719  17.271
  352    HB   VAL  42           HB       VAL  42   4.998 -27.825  15.315
  353   HG11  VAL  42          HG11      VAL  42   6.471 -25.255  14.594
  354   HG12  VAL  42          HG12      VAL  42   6.222 -26.641  13.514
  355   HG13  VAL  42          HG13      VAL  42   4.833 -25.719  14.073
  356   HG21  VAL  42          HG23      VAL  42   7.019 -28.341  16.671
  357   HG22  VAL  42          HG21      VAL  42   7.388 -28.195  14.949
  358   HG23  VAL  42          HG22      VAL  42   7.792 -26.870  16.058
  359    H    GLU  43           H        GLU  43   5.189 -23.900  16.207
  360    HA   GLU  43           HA       GLU  43   2.292 -23.776  15.679
  361    HB2  GLU  43           HB2      GLU  43   2.357 -22.911  17.859
  362    HB3  GLU  43           HB3      GLU  43   3.858 -22.041  17.597
  363    HG2  GLU  43           HG2      GLU  43   2.755 -20.375  16.220
  364    HG3  GLU  43           HG3      GLU  43   1.252 -21.310  16.216
  365    H    ILE  44           H        ILE  44   1.838 -22.400  13.978
  366    HA   ILE  44           HA       ILE  44   4.074 -21.146  12.507
  367    HB   ILE  44           HB       ILE  44   1.890 -22.685  11.119
  368   HG12  ILE  44          HG12      ILE  44   4.410 -24.057  12.116
  369   HG13  ILE  44          HG13      ILE  44   2.752 -24.436  12.570
  370   HG21  ILE  44          HG21      ILE  44   4.772 -22.120  10.344
  371   HG22  ILE  44          HG22      ILE  44   3.509 -22.791   9.289
  372   HG23  ILE  44          HG23      ILE  44   3.377 -21.136   9.861
  373   HD11  ILE  44          HD13      ILE  44   3.999 -24.906   9.843
  374   HD12  ILE  44          HD11      ILE  44   3.504 -26.097  11.044
  375   HD13  ILE  44          HD12      ILE  44   2.277 -25.113  10.213
  376    H    LEU  45           H        LEU  45   3.290 -19.289  11.339
  377    HA   LEU  45           HA       LEU  45   0.384 -18.755  11.385
  378    HG   LEU  45           HG       LEU  45  -0.646 -17.291  12.915
  379    HB2  LEU  45           HB2      LEU  45   1.732 -17.775  13.461
  380    HB3  LEU  45           HB3      LEU  45   2.260 -16.557  12.305
  381   HD11  LEU  45          HD11      LEU  45   0.542 -16.301  14.869
  382   HD12  LEU  45          HD12      LEU  45   0.947 -14.885  13.876
  383   HD13  LEU  45          HD13      LEU  45  -0.749 -15.256  14.247
  384   HD21  LEU  45          HD23      LEU  45  -0.485 -16.261  10.708
  385   HD22  LEU  45          HD21      LEU  45  -1.166 -15.104  11.851
  386   HD23  LEU  45          HD22      LEU  45   0.535 -14.951  11.351
  387    H    ALA  46           H        ALA  46  -0.066 -18.234   9.242
  388    HA   ALA  46           HA       ALA  46   2.172 -17.268   7.551
  389    HB1  ALA  46           HB3      ALA  46   1.873 -19.172   6.027
  390    HB2  ALA  46           HB1      ALA  46   2.311 -19.741   7.648
  391    HB3  ALA  46           HB2      ALA  46   0.622 -19.851   7.091
  392    H    GLU  47           H        GLU  47   1.558 -16.729   5.398
  393    HA   GLU  47           HA       GLU  47  -1.192 -15.597   5.167
  394    HB2  GLU  47           HB2      GLU  47   1.497 -14.306   4.524
  395    HB3  GLU  47           HB3      GLU  47  -0.083 -13.549   4.365
  396    HG2  GLU  47           HG2      GLU  47  -0.339 -13.419   6.771
  397    HG3  GLU  47           HG3      GLU  47   1.093 -14.413   7.047
  398    H    GLY  48           H        GLY  48  -2.053 -15.900   3.104
  399    HA2  GLY  48           HA2      GLY  48  -0.774 -15.713   0.660
  400    HA3  GLY  48           HA3      GLY  48  -0.611 -17.410   1.114
  401    HA   PRO  49           HA       PRO  49  -4.877 -16.861  -0.716
  402    HB2  PRO  49           HB2      PRO  49  -4.620 -18.523  -2.886
  403    HB3  PRO  49           HB3      PRO  49  -4.214 -16.781  -2.926
  404    HG2  PRO  49           HG2      PRO  49  -2.345 -19.126  -2.577
  405    HG3  PRO  49           HG3      PRO  49  -2.138 -17.695  -3.628
  406    HD2  PRO  49           HD2      PRO  49  -0.958 -17.909  -1.155
  407    HD3  PRO  49           HD3      PRO  49  -1.498 -16.339  -1.820
  408    H    GLU  50           H        GLU  50  -6.493 -18.476  -0.520
  409    HA   GLU  50           HA       GLU  50  -6.087 -20.186   1.632
  410    HB2  GLU  50           HB2      GLU  50  -8.220 -19.118   0.866
  411    HB3  GLU  50           HB3      GLU  50  -8.304 -20.284  -0.458
  412    HG2  GLU  50           HG2      GLU  50  -8.413 -22.133   1.227
  413    HG3  GLU  50           HG3      GLU  50  -8.360 -20.946   2.523
  414    H    ASN  51           H        ASN  51  -5.927 -21.003  -1.863
  415    HA   ASN  51           HA       ASN  51  -5.924 -23.859  -1.370
  416    HB2  ASN  51           HB2      ASN  51  -6.571 -22.829  -3.560
  417    HB3  ASN  51           HB3      ASN  51  -4.877 -22.386  -3.817
  418   HD21  ASN  51          HD22      ASN  51  -7.081 -25.214  -3.299
  419   HD22  ASN  51          HD21      ASN  51  -6.027 -26.363  -4.077
  420    H    ALA  52           H        ALA  52  -3.387 -21.390  -1.525
  421    HA   ALA  52           HA       ALA  52  -1.208 -23.320  -1.529
  422    HB1  ALA  52           HB3      ALA  52  -0.882 -21.048  -2.447
  423    HB2  ALA  52           HB1      ALA  52  -1.202 -20.356  -0.838
  424    HB3  ALA  52           HB2      ALA  52   0.231 -21.376  -1.107
  425    H    LEU  53           H        LEU  53  -2.934 -21.367   0.897
  426    HA   LEU  53           HA       LEU  53  -1.511 -22.260   3.200
  427    HG   LEU  53           HG       LEU  53  -2.475 -20.598   5.091
  428    HB2  LEU  53           HB2      LEU  53  -4.095 -20.931   2.546
  429    HB3  LEU  53           HB3      LEU  53  -4.147 -21.876   4.010
  430   HD11  LEU  53          HD11      LEU  53  -1.278 -18.693   4.002
  431   HD12  LEU  53          HD12      LEU  53  -0.783 -20.262   3.387
  432   HD13  LEU  53          HD13      LEU  53  -1.890 -19.254   2.425
  433   HD21  LEU  53          HD23      LEU  53  -4.728 -19.536   4.890
  434   HD22  LEU  53          HD21      LEU  53  -3.433 -18.335   5.033
  435   HD23  LEU  53          HD22      LEU  53  -4.171 -18.661   3.450
  436    H    GLN  54           H        GLN  54  -4.295 -23.751   1.456
  437    HA   GLN  54           HA       GLN  54  -4.511 -25.961   3.248
  438    HB2  GLN  54           HB2      GLN  54  -5.359 -25.417   0.400
  439    HB3  GLN  54           HB3      GLN  54  -5.551 -27.027   1.071
  440    HG2  GLN  54           HG2      GLN  54  -6.944 -26.247   2.878
  441    HG3  GLN  54           HG3      GLN  54  -6.636 -24.556   2.465
  442   HE21  GLN  54          HE22      GLN  54  -7.312 -23.814   0.332
  443   HE22  GLN  54          HE21      GLN  54  -8.769 -24.481  -0.409
  444    H    SER  55           H        SER  55  -2.581 -25.720   0.103
  445    HA   SER  55           HA       SER  55  -1.617 -28.385   0.387
  446    HG   SER  55           HG       SER  55   0.145 -25.331  -0.491
  447    HB2  SER  55           HB2      SER  55   0.236 -27.604  -1.147
  448    HB3  SER  55           HB3      SER  55  -1.416 -27.372  -1.729
  449    H    PHE  56           H        PHE  56  -0.463 -25.327   1.777
  450    HA   PHE  56           HA       PHE  56   1.966 -26.301   2.863
  451    HD1  PHE  56           HD2      PHE  56   3.767 -24.943   3.656
  452    HD2  PHE  56           HD1      PHE  56   0.525 -22.948   5.691
  453    HE1  PHE  56           HE2      PHE  56   5.355 -24.071   5.345
  454    HE2  PHE  56           HE1      PHE  56   2.118 -22.097   7.381
  455    HZ   PHE  56           HZ       PHE  56   4.544 -22.616   7.181
  456    HB2  PHE  56           HB2      PHE  56   1.414 -23.981   2.547
  457    HB3  PHE  56           HB3      PHE  56   0.090 -24.065   3.696
  458    H    VAL  57           H        VAL  57  -1.371 -26.116   4.329
  459    HA   VAL  57           HA       VAL  57  -0.646 -27.353   6.779
  460    HB   VAL  57           HB       VAL  57  -3.261 -27.261   5.237
  461   HG11  VAL  57          HG11      VAL  57  -3.359 -29.326   6.598
  462   HG12  VAL  57          HG12      VAL  57  -2.819 -28.422   8.027
  463   HG13  VAL  57          HG13      VAL  57  -4.398 -28.077   7.284
  464   HG21  VAL  57          HG23      VAL  57  -3.924 -25.692   6.981
  465   HG22  VAL  57          HG21      VAL  57  -2.420 -25.976   7.872
  466   HG23  VAL  57          HG22      VAL  57  -2.381 -25.145   6.305
  467    H    GLU  58           H        GLU  58  -1.699 -28.819   3.647
  468    HA   GLU  58           HA       GLU  58  -1.768 -31.486   4.503
  469    HB2  GLU  58           HB2      GLU  58  -1.106 -30.287   1.796
  470    HB3  GLU  58           HB3      GLU  58  -1.284 -32.013   2.049
  471    HG2  GLU  58           HG2      GLU  58  -3.499 -30.048   2.763
  472    HG3  GLU  58           HG3      GLU  58  -3.307 -30.723   1.151
  473    H    ALA  59           H        ALA  59   0.988 -29.587   3.300
  474    HA   ALA  59           HA       ALA  59   2.892 -31.726   3.453
  475    HB1  ALA  59           HB3      ALA  59   4.571 -29.976   3.208
  476    HB2  ALA  59           HB1      ALA  59   3.236 -29.708   2.075
  477    HB3  ALA  59           HB2      ALA  59   3.366 -28.716   3.549
  478    H    VAL  60           H        VAL  60   1.954 -29.135   5.783
  479    HA   VAL  60           HA       VAL  60   3.905 -29.765   7.755
  480    HB   VAL  60           HB       VAL  60   1.192 -28.405   7.895
  481   HG11  VAL  60          HG11      VAL  60   1.833 -27.548  10.108
  482   HG12  VAL  60          HG12      VAL  60   1.679 -29.298  10.157
  483   HG13  VAL  60          HG13      VAL  60   3.292 -28.568  10.095
  484   HG21  VAL  60          HG23      VAL  60   2.469 -26.359   7.996
  485   HG22  VAL  60          HG21      VAL  60   3.998 -27.243   8.188
  486   HG23  VAL  60          HG22      VAL  60   3.146 -27.276   6.650
  487    H    LYS  61           H        LYS  61   0.714 -31.307   7.050
  488    HA   LYS  61           HA       LYS  61   0.601 -32.844   9.422
  489    HB2  LYS  61           HB2      LYS  61  -0.143 -34.058   6.752
  490    HB3  LYS  61           HB3      LYS  61  -0.810 -34.385   8.356
  491    HG2  LYS  61           HG2      LYS  61  -1.738 -31.987   8.295
  492    HG3  LYS  61           HG3      LYS  61  -1.293 -31.989   6.589
  493    HD2  LYS  61           HD2      LYS  61  -3.307 -33.804   7.941
  494    HD3  LYS  61           HD3      LYS  61  -3.609 -32.512   6.770
  495    HE2  LYS  61           HE2      LYS  61  -2.072 -33.895   5.167
  496    HE3  LYS  61           HE3      LYS  61  -2.317 -35.227   6.308
  497    HZ1  LYS  61           HZ3      LYS  61  -3.947 -35.334   4.572
  498    HZ2  LYS  61           HZ1      LYS  61  -4.749 -34.895   5.927
  499    HZ3  LYS  61           HZ2      LYS  61  -4.377 -33.766   4.773
  500    H    ASN  62           H        ASN  62   2.602 -33.324   6.505
  501    HA   ASN  62           HA       ASN  62   3.461 -35.975   7.228
  502    HB2  ASN  62           HB2      ASN  62   3.549 -35.044   4.888
  503    HB3  ASN  62           HB3      ASN  62   4.870 -33.987   5.394
  504   HD21  ASN  62          HD22      ASN  62   6.985 -35.005   5.989
  505   HD22  ASN  62          HD21      ASN  62   7.315 -36.623   5.421
  506    H    GLY  63           H        GLY  63   4.767 -32.698   7.612
  507    HA2  GLY  63           HA2      GLY  63   6.343 -31.824   9.067
  508    HA3  GLY  63           HA3      GLY  63   6.404 -33.375   9.911
  509    H    SER  64           H        SER  64   8.834 -32.499   9.801
  510    HA   SER  64           HA       SER  64  10.239 -32.760   7.321
  511    HG   SER  64           HG       SER  64  12.094 -32.752  10.901
  512    HB2  SER  64           HB2      SER  64  12.254 -32.719   8.785
  513    HB3  SER  64           HB3      SER  64  11.128 -31.404   9.134
  514    HA   PRO  65           HA       PRO  65  10.811 -37.097   6.823
  515    HB2  PRO  65           HB2      PRO  65  13.800 -36.635   6.951
  516    HB3  PRO  65           HB3      PRO  65  12.865 -37.614   5.776
  517    HG2  PRO  65           HG2      PRO  65  13.699 -35.131   5.101
  518    HG3  PRO  65           HG3      PRO  65  12.031 -35.651   4.693
  519    HD2  PRO  65           HD2      PRO  65  12.953 -33.909   6.982
  520    HD3  PRO  65           HD3      PRO  65  11.533 -33.718   5.907
  521    H    PHE  66           H        PHE  66  12.571 -35.629   9.507
  522    HA   PHE  66           HA       PHE  66  12.970 -38.249  10.834
  523    HD1  PHE  66           HD1      PHE  66  15.611 -38.733  10.645
  524    HD2  PHE  66           HD2      PHE  66  15.114 -34.530   9.790
  525    HE1  PHE  66           HE1      PHE  66  17.374 -38.873   8.903
  526    HE2  PHE  66           HE2      PHE  66  16.874 -34.678   8.049
  527    HZ   PHE  66           HZ       PHE  66  18.008 -36.848   7.600
  528    HB2  PHE  66           HB2      PHE  66  13.966 -35.495  11.631
  529    HB3  PHE  66           HB3      PHE  66  14.481 -37.037  12.294
  530    H    SER  67           H        SER  67  10.544 -35.875  10.766
  531    HA   SER  67           HA       SER  67   9.994 -35.789  13.620
  532    HG   SER  67           HG       SER  67   8.701 -35.135  10.290
  533    HB2  SER  67           HB2      SER  67   8.066 -34.481  12.985
  534    HB3  SER  67           HB3      SER  67   9.471 -33.910  12.086
  535    H    LYS  68           H        LYS  68   7.830 -36.423  14.378
  536    HA   LYS  68           HA       LYS  68   6.420 -38.587  12.955
  537    HB2  LYS  68           HB2      LYS  68   7.324 -38.847  15.862
  538    HB3  LYS  68           HB3      LYS  68   6.131 -39.868  15.099
  539    HG2  LYS  68           HG2      LYS  68   9.061 -39.667  14.270
  540    HG3  LYS  68           HG3      LYS  68   8.384 -40.908  15.308
  541    HD2  LYS  68           HD2      LYS  68   7.594 -40.477  12.393
  542    HD3  LYS  68           HD3      LYS  68   8.731 -41.686  12.993
  543    HE2  LYS  68           HE2      LYS  68   6.922 -42.695  14.382
  544    HE3  LYS  68           HE3      LYS  68   5.775 -41.514  13.733
  545    HZ1  LYS  68           HZ3      LYS  68   5.652 -43.606  12.546
  546    HZ2  LYS  68           HZ1      LYS  68   6.168 -42.447  11.525
  547    HZ3  LYS  68           HZ2      LYS  68   7.224 -43.541  12.129
  548    H    VAL  69           H        VAL  69   5.136 -36.650  12.527
  549    HA   VAL  69           HA       VAL  69   3.888 -35.096  14.592
  550    HB   VAL  69           HB       VAL  69   3.033 -35.791  11.742
  551   HG11  VAL  69          HG11      VAL  69   1.620 -33.707  11.897
  552   HG12  VAL  69          HG12      VAL  69   1.045 -35.034  12.906
  553   HG13  VAL  69          HG13      VAL  69   1.925 -33.684  13.647
  554   HG21  VAL  69          HG23      VAL  69   4.384 -33.280  12.822
  555   HG22  VAL  69          HG21      VAL  69   5.183 -34.538  11.850
  556   HG23  VAL  69          HG22      VAL  69   3.889 -33.569  11.146
  557    H    THR  70           H        THR  70   2.071 -35.561  15.844
  558    HA   THR  70           HA       THR  70   0.598 -38.096  15.311
  559    HB   THR  70           HB       THR  70   0.273 -38.174  17.775
  560    HG1  THR  70           HG1      THR  70   1.347 -36.781  19.068
  561   HG21  THR  70          HG23      THR  70   2.151 -39.429  16.681
  562   HG22  THR  70          HG21      THR  70   3.219 -38.043  16.993
  563   HG23  THR  70          HG22      THR  70   2.516 -38.950  18.349
  564    H    ASP  71           H        ASP  71   0.340 -34.610  15.787
  565    HA   ASP  71           HA       ASP  71  -2.510 -34.756  15.149
  566    HB2  ASP  71           HB2      ASP  71  -2.541 -34.970  17.620
  567    HB3  ASP  71           HB3      ASP  71  -1.534 -33.530  17.763
  568    H    ILE  72           H        ILE  72  -3.349 -32.651  14.547
  569    HA   ILE  72           HA       ILE  72  -1.547 -30.396  14.339
  570    HB   ILE  72           HB       ILE  72  -0.930 -31.714  12.363
  571   HG12  ILE  72          HG12      ILE  72  -2.484 -29.183  11.697
  572   HG13  ILE  72          HG13      ILE  72  -0.806 -29.305  12.232
  573   HG21  ILE  72          HG21      ILE  72  -3.797 -31.483  11.369
  574   HG22  ILE  72          HG22      ILE  72  -2.435 -32.293  10.570
  575   HG23  ILE  72          HG23      ILE  72  -3.089 -32.960  12.055
  576   HD11  ILE  72          HD13      ILE  72  -0.350 -30.662  10.112
  577   HD12  ILE  72          HD11      ILE  72  -1.983 -30.190   9.582
  578   HD13  ILE  72          HD12      ILE  72  -0.767 -28.946   9.874
  579    H    SER  73           H        SER  73  -2.777 -28.451  14.104
  580    HA   SER  73           HA       SER  73  -5.716 -28.620  13.773
  581    HG   SER  73           HG       SER  73  -4.533 -29.432  16.504
  582    HB2  SER  73           HB2      SER  73  -4.339 -27.210  16.108
  583    HB3  SER  73           HB3      SER  73  -6.066 -27.163  15.732
  584    H    VAL  74           H        VAL  74  -6.619 -26.484  13.210
  585    HA   VAL  74           HA       VAL  74  -4.653 -24.483  12.259
  586    HB   VAL  74           HB       VAL  74  -6.932 -25.648  10.600
  587   HG11  VAL  74          HG11      VAL  74  -6.533 -23.308   9.994
  588   HG12  VAL  74          HG12      VAL  74  -4.783 -23.601   9.884
  589   HG13  VAL  74          HG13      VAL  74  -5.902 -24.352   8.728
  590   HG21  VAL  74          HG23      VAL  74  -5.137 -27.303  10.710
  591   HG22  VAL  74          HG21      VAL  74  -5.163 -26.559   9.115
  592   HG23  VAL  74          HG22      VAL  74  -3.931 -26.063  10.296
  593    H    THR  75           H        THR  75  -5.442 -22.400  12.219
  594    HA   THR  75           HA       THR  75  -8.249 -21.779  12.834
  595    HB   THR  75           HB       THR  75  -5.953 -20.351  14.238
  596    HG1  THR  75           HG1      THR  75  -5.991 -22.476  14.983
  597   HG21  THR  75          HG23      THR  75  -8.955 -20.443  14.773
  598   HG22  THR  75          HG21      THR  75  -7.759 -19.667  15.835
  599   HG23  THR  75          HG22      THR  75  -8.010 -19.046  14.205
  600    H    GLU  76           H        GLU  76  -8.522 -19.284  12.173
  601    HA   GLU  76           HA       GLU  76  -6.572 -18.484  10.113
  602    HB2  GLU  76           HB2      GLU  76  -8.282 -18.350   8.379
  603    HB3  GLU  76           HB3      GLU  76  -8.115 -20.010   8.956
  604    HG2  GLU  76           HG2      GLU  76 -10.137 -19.756  10.351
  605    HG3  GLU  76           HG3      GLU  76 -10.281 -18.065   9.837
  606    H    SER  77           H        SER  77  -7.080 -16.379   9.178
  607    HA   SER  77           HA       SER  77  -8.751 -14.527  10.748
  608    HG   SER  77           HG       SER  77  -5.625 -14.209  12.579
  609    HB2  SER  77           HB2      SER  77  -5.758 -14.098  10.310
  610    HB3  SER  77           HB3      SER  77  -6.874 -12.976  11.088
  611    H    ARG  78           H        ARG  78  -9.320 -12.697   9.467
  612    HA   ARG  78           HA       ARG  78  -8.732 -12.900   6.572
  613    HE   ARG  78           HE       ARG  78 -13.310 -14.302   5.549
  614    HB2  ARG  78           HB2      ARG  78 -10.394 -10.895   8.175
  615    HB3  ARG  78           HB3      ARG  78 -10.262 -10.914   6.420
  616    HG2  ARG  78           HG2      ARG  78 -11.401 -13.204   8.081
  617    HG3  ARG  78           HG3      ARG  78 -12.368 -11.953   7.307
  618    HD2  ARG  78           HD2      ARG  78 -11.763 -12.656   5.108
  619    HD3  ARG  78           HD3      ARG  78 -10.475 -13.703   5.685
  620   HH11  ARG  78          HH11      ARG  78 -10.256 -15.212   7.183
  621   HH12  ARG  78          HH12      ARG  78 -10.806 -16.866   7.427
  622   HH21  ARG  78          HH21      ARG  78 -13.904 -16.562   5.984
  623   HH22  ARG  78          HH22      ARG  78 -12.722 -17.573   6.796
  624    H    SER  79           H        SER  79  -7.801 -10.866   9.364
  625    HA   SER  79           HA       SER  79  -6.325  -8.929   7.890
  626    HG   SER  79           HG       SER  79  -7.333  -8.283  11.308
  627    HB2  SER  79           HB2      SER  79  -5.857  -9.955  10.723
  628    HB3  SER  79           HB3      SER  79  -5.409  -8.371  10.063
  629    H    LEU  80           H        LEU  80  -4.006  -8.792   7.787
  630    HA   LEU  80           HA       LEU  80  -2.318 -11.015   8.442
  631    HG   LEU  80           HG       LEU  80  -2.435  -9.102   5.249
  632    HB2  LEU  80           HB2      LEU  80  -1.381 -11.413   6.273
  633    HB3  LEU  80           HB3      LEU  80  -3.051 -11.867   6.282
  634   HD11  LEU  80          HD11      LEU  80  -0.617 -10.369   4.242
  635   HD12  LEU  80          HD12      LEU  80  -1.732 -11.652   3.750
  636   HD13  LEU  80          HD13      LEU  80  -1.845 -10.034   3.012
  637   HD21  LEU  80          HD23      LEU  80  -4.258 -11.370   4.284
  638   HD22  LEU  80          HD21      LEU  80  -4.761  -9.977   5.258
  639   HD23  LEU  80          HD22      LEU  80  -4.186  -9.726   3.607
  640    H    GLU  81           H        GLU  81   0.110 -10.324   7.806
  641    HA   GLU  81           HA       GLU  81   0.258  -7.565   8.855
  642    HB2  GLU  81           HB2      GLU  81   2.643  -7.967   9.170
  643    HB3  GLU  81           HB3      GLU  81   1.647  -9.134  10.031
  644    HG2  GLU  81           HG2      GLU  81   2.184 -10.884   8.538
  645    HG3  GLU  81           HG3      GLU  81   2.870  -9.777   7.328
  646    H    GLY  82           H        GLY  82   1.021  -9.400   5.936
  647    HA2  GLY  82           HA2      GLY  82   0.730  -7.704   3.943
  648    HA3  GLY  82           HA3      GLY  82   2.173  -6.962   4.642
  649    H    HIS  83           H        HIS  83   1.903 -10.466   4.820
  650    HA   HIS  83           HA       HIS  83   3.173 -12.065   4.067
  651    HD1  HIS  83           HD1      HIS  83   4.022 -10.653   0.087
  652    HD2  HIS  83           HD2      HIS  83   0.037 -10.157   1.330
  653    HE1  HIS  83           HE1      HIS  83   2.977  -8.955  -1.515
  654    HB2  HIS  83           HB2      HIS  83   2.828 -12.641   1.731
  655    HB3  HIS  83           HB3      HIS  83   1.366 -12.085   2.525
  656    H    HIS  84           H        HIS  84   4.896 -10.190   4.910
  657    HA   HIS  84           HA       HIS  84   6.682  -9.221   2.945
  658    HD1  HIS  84           HD1      HIS  84   5.262  -8.280   7.230
  659    HD2  HIS  84           HD2      HIS  84   6.316  -6.577   3.512
  660    HE1  HIS  84           HE1      HIS  84   3.934  -6.118   7.017
  661    HB2  HIS  84           HB2      HIS  84   7.118  -9.567   5.932
  662    HB3  HIS  84           HB3      HIS  84   8.047  -8.519   4.864
  663    H    ARG  85           H        ARG  85   7.116 -12.021   5.231
  664    HA   ARG  85           HA       ARG  85   9.110 -13.307   3.584
  665    HE   ARG  85           HE       ARG  85   8.835 -13.497   8.326
  666    HB2  ARG  85           HB2      ARG  85  10.934 -13.109   5.385
  667    HB3  ARG  85           HB3      ARG  85  10.665 -11.767   4.313
  668    HG2  ARG  85           HG2      ARG  85  11.078 -10.743   6.286
  669    HG3  ARG  85           HG3      ARG  85   9.346 -10.614   6.186
  670    HD2  ARG  85           HD2      ARG  85  10.866 -12.686   7.839
  671    HD3  ARG  85           HD3      ARG  85  10.338 -11.131   8.461
  672   HH11  ARG  85          HH21      ARG  85   8.393  -9.967   8.203
  673   HH12  ARG  85          HH22      ARG  85   6.697 -10.066   8.612
  674   HH21  ARG  85          HH11      ARG  85   6.651 -13.583   8.816
  675   HH22  ARG  85          HH12      ARG  85   5.760 -12.097   9.150
  676    H    PHE  86           H        PHE  86  10.095 -15.255   5.028
  677    HA   PHE  86           HA       PHE  86   7.929 -16.200   6.833
  678    HD1  PHE  86           HD1      PHE  86   9.622 -19.547   7.066
  679    HD2  PHE  86           HD2      PHE  86   5.859 -18.112   5.536
  680    HE1  PHE  86           HE1      PHE  86   8.414 -21.163   8.487
  681    HE2  PHE  86           HE2      PHE  86   4.653 -19.639   7.062
  682    HZ   PHE  86           HZ       PHE  86   5.929 -21.165   8.546
  683    HB2  PHE  86           HB2      PHE  86   7.909 -17.313   4.580
  684    HB3  PHE  86           HB3      PHE  86   9.470 -18.016   4.987
  685    H    SER  87           H        SER  87   8.849 -15.854   8.833
  686    HA   SER  87           HA       SER  87  11.713 -16.082   9.181
  687    HG   SER  87           HG       SER  87   9.620 -13.589  10.983
  688    HB2  SER  87           HB2      SER  87   9.832 -15.838  11.511
  689    HB3  SER  87           HB3      SER  87  11.362 -15.019  11.196
  690    H    ILE  88           H        ILE  88  12.837 -17.777  10.066
  691    HA   ILE  88           HA       ILE  88  11.399 -19.911  11.570
  692    HB   ILE  88           HB       ILE  88  14.298 -19.458  10.768
  693   HG12  ILE  88          HG12      ILE  88  12.482 -21.852  10.210
  694   HG13  ILE  88          HG13      ILE  88  12.512 -20.447   9.155
  695   HG21  ILE  88          HG21      ILE  88  14.418 -20.324  13.021
  696   HG22  ILE  88          HG22      ILE  88  13.171 -21.532  12.689
  697   HG23  ILE  88          HG23      ILE  88  14.774 -21.659  11.933
  698   HD11  ILE  88          HD13      ILE  88  14.925 -20.706   8.800
  699   HD12  ILE  88          HD11      ILE  88  14.908 -22.210   9.762
  700   HD13  ILE  88          HD12      ILE  88  13.983 -22.109   8.252
  701    H    VAL  89           H        VAL  89  10.983 -19.503  13.693
  702    HA   VAL  89           HA       VAL  89  12.448 -17.363  15.116
  703    HB   VAL  89           HB       VAL  89  10.152 -19.162  15.942
  704   HG11  VAL  89          HG11      VAL  89   9.901 -17.637  17.878
  705   HG12  VAL  89          HG12      VAL  89  11.455 -18.472  17.916
  706   HG13  VAL  89          HG13      VAL  89  11.376 -16.774  17.391
  707   HG21  VAL  89          HG23      VAL  89   9.440 -17.544  14.235
  708   HG22  VAL  89          HG21      VAL  89   8.781 -17.085  15.802
  709   HG23  VAL  89          HG22      VAL  89  10.186 -16.216  15.150
  710    H    TYR  90           H        TYR  90  14.322 -17.887  16.011
  711    HA   TYR  90           HA       TYR  90  15.191 -20.663  16.157
  712    HD1  TYR  90           HD1      TYR  90  17.354 -21.099  14.587
  713    HD2  TYR  90           HD2      TYR  90  16.284 -16.917  14.511
  714    HE1  TYR  90           HE1      TYR  90  17.656 -21.067  12.130
  715    HE2  TYR  90           HE2      TYR  90  16.582 -16.877  12.060
  716    HH   TYR  90           HH       TYR  90  17.148 -18.104  10.157
  717    HB2  TYR  90           HB2      TYR  90  16.646 -18.040  16.633
  718    HB3  TYR  90           HB3      TYR  90  17.395 -19.633  16.662
  719    H    SER  91           H        SER  91  13.170 -20.526  17.934
  720    HA   SER  91           HA       SER  91  13.771 -20.118  20.641
  721    HG   SER  91           HG       SER  91  10.497 -21.352  19.555
  722    HB2  SER  91           HB2      SER  91  12.468 -22.665  19.735
  723    HB3  SER  91           HB3      SER  91  12.049 -21.617  21.082
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -7.432 -12.323  -0.064
    2    H2   MET   1           H2       MET   1  -6.411 -12.789  -1.266
    3    H3   MET   1           H3       MET   1  -7.258 -13.907  -0.415
    4    HA   MET   1           HA       MET   1  -4.991 -13.913   0.321
    5    HB2  MET   1           HB2      MET   1  -4.698 -11.411  -0.276
    6    HB3  MET   1           HB3      MET   1  -5.450 -11.076   1.298
    7    HG2  MET   1           HG2      MET   1  -3.090 -10.964   1.509
    8    HG3  MET   1           HG3      MET   1  -3.640 -12.400   2.371
    9    HE1  MET   1           HE3      MET   1  -0.976 -12.829   2.409
   10    HE2  MET   1           HE1      MET   1   0.011 -13.034   0.940
   11    HE3  MET   1           HE2      MET   1  -0.710 -11.448   1.321
   12    H    LEU   2           H        LEU   2  -4.618 -14.613   2.476
   13    HA   LEU   2           HA       LEU   2  -6.676 -14.165   4.538
   14    HG   LEU   2           HG       LEU   2  -7.043 -16.971   5.691
   15    HB2  LEU   2           HB2      LEU   2  -7.430 -15.967   2.844
   16    HB3  LEU   2           HB3      LEU   2  -6.045 -16.907   3.366
   17   HD11  LEU   2          HD11      LEU   2  -9.452 -15.679   4.318
   18   HD12  LEU   2          HD12      LEU   2  -9.415 -16.340   5.969
   19   HD13  LEU   2          HD13      LEU   2  -8.459 -14.914   5.572
   20   HD21  LEU   2          HD23      LEU   2  -7.374 -18.779   4.049
   21   HD22  LEU   2          HD21      LEU   2  -8.782 -18.589   5.111
   22   HD23  LEU   2          HD22      LEU   2  -8.834 -17.974   3.445
   23    H    GLN   3           H        GLN   3  -6.025 -15.357   6.591
   24    HA   GLN   3           HA       GLN   3  -3.120 -15.964   6.781
   25    HB2  GLN   3           HB2      GLN   3  -3.807 -13.862   8.030
   26    HB3  GLN   3           HB3      GLN   3  -4.973 -14.822   8.916
   27    HG2  GLN   3           HG2      GLN   3  -3.102 -16.226   9.826
   28    HG3  GLN   3           HG3      GLN   3  -1.952 -15.185   8.995
   29   HE21  GLN   3          HE22      GLN   3  -1.837 -12.852   9.716
   30   HE22  GLN   3          HE21      GLN   3  -2.384 -12.451  11.337
   31    H    TYR   4           H        TYR   4  -2.688 -17.930   7.690
   32    HA   TYR   4           HA       TYR   4  -4.852 -19.485   9.043
   33    HD1  TYR   4           HD1      TYR   4  -5.779 -19.521   6.703
   34    HD2  TYR   4           HD2      TYR   4  -3.577 -23.210   7.065
   35    HE1  TYR   4           HE1      TYR   4  -7.517 -20.682   5.406
   36    HE2  TYR   4           HE2      TYR   4  -5.314 -24.375   5.729
   37    HH   TYR   4           HH       TYR   4  -8.265 -22.703   4.550
   38    HB2  TYR   4           HB2      TYR   4  -2.620 -20.388   7.195
   39    HB3  TYR   4           HB3      TYR   4  -3.114 -21.400   8.525
   40    H    ARG   5           H        ARG   5  -4.111 -20.547  10.922
   41    HA   ARG   5           HA       ARG   5  -1.290 -20.157  11.730
   42    HE   ARG   5           HE       ARG   5  -3.259 -17.568  15.284
   43    HB2  ARG   5           HB2      ARG   5  -2.809 -18.620  13.083
   44    HB3  ARG   5           HB3      ARG   5  -3.613 -20.071  13.696
   45    HG2  ARG   5           HG2      ARG   5  -1.328 -20.846  14.559
   46    HG3  ARG   5           HG3      ARG   5  -0.697 -19.256  14.088
   47    HD2  ARG   5           HD2      ARG   5  -2.956 -19.777  16.069
   48    HD3  ARG   5           HD3      ARG   5  -1.294 -19.433  16.506
   49   HH11  ARG   5          HH21      ARG   5  -0.077 -17.937  16.929
   50   HH12  ARG   5          HH22      ARG   5   0.164 -16.232  17.021
   51   HH21  ARG   5          HH11      ARG   5  -2.863 -15.333  15.426
   52   HH22  ARG   5          HH12      ARG   5  -1.437 -14.736  16.179
   53    H    ILE   6           H        ILE   6  -0.436 -22.115  12.552
   54    HA   ILE   6           HA       ILE   6  -2.253 -24.463  12.605
   55    HB   ILE   6           HB       ILE   6   0.492 -24.433  11.300
   56   HG12  ILE   6          HG12      ILE   6  -0.995 -25.076   9.207
   57   HG13  ILE   6          HG13      ILE   6  -2.231 -24.129  10.031
   58   HG21  ILE   6          HG21      ILE   6  -0.120 -26.605  12.259
   59   HG22  ILE   6          HG22      ILE   6  -1.646 -26.592  11.358
   60   HG23  ILE   6          HG23      ILE   6  -0.091 -26.683  10.506
   61   HD11  ILE   6          HD13      ILE   6  -0.673 -22.146   9.901
   62   HD12  ILE   6          HD11      ILE   6   0.535 -23.197   9.127
   63   HD13  ILE   6          HD12      ILE   6  -1.001 -22.863   8.313
   64    H    ILE   7           H        ILE   7  -1.645 -25.967  14.171
   65    HA   ILE   7           HA       ILE   7   0.708 -25.373  15.885
   66    HB   ILE   7           HB       ILE   7  -2.075 -26.150  16.851
   67   HG12  ILE   7          HG12      ILE   7  -2.100 -23.767  16.189
   68   HG13  ILE   7          HG13      ILE   7  -2.328 -24.005  17.904
   69   HG21  ILE   7          HG21      ILE   7  -1.116 -25.756  19.129
   70   HG22  ILE   7          HG22      ILE   7  -0.378 -27.116  18.275
   71   HG23  ILE   7          HG23      ILE   7   0.491 -25.573  18.389
   72   HD11  ILE   7          HD13      ILE   7  -0.074 -23.241  18.402
   73   HD12  ILE   7          HD11      ILE   7   0.337 -23.200  16.675
   74   HD13  ILE   7          HD12      ILE   7  -0.858 -22.069  17.325
   75    H    VAL   8           H        VAL   8   1.815 -27.305  16.392
   76    HA   VAL   8           HA       VAL   8   0.676 -29.848  15.315
   77    HB   VAL   8           HB       VAL   8   3.535 -29.000  14.784
   78   HG11  VAL   8          HG11      VAL   8   1.665 -30.936  13.382
   79   HG12  VAL   8          HG12      VAL   8   3.363 -30.636  12.949
   80   HG13  VAL   8          HG13      VAL   8   2.973 -31.373  14.503
   81   HG21  VAL   8          HG23      VAL   8   1.213 -28.457  12.892
   82   HG22  VAL   8          HG21      VAL   8   2.263 -27.232  13.645
   83   HG23  VAL   8          HG22      VAL   8   2.932 -28.354  12.467
   84    H    ASP   9           H        ASP   9   1.465 -31.743  16.402
   85    HA   ASP   9           HA       ASP   9   3.439 -31.388  18.578
   86    HB2  ASP   9           HB2      ASP   9   1.130 -31.085  19.548
   87    HB3  ASP   9           HB3      ASP   9   0.707 -32.665  18.915
   88    H    GLY  10           H        GLY  10   4.312 -33.458  19.296
   89    HA2  GLY  10           HA2      GLY  10   4.074 -35.988  18.839
   90    HA3  GLY  10           HA3      GLY  10   4.354 -35.523  17.156
   91    H    ARG  11           H        ARG  11   6.326 -36.758  17.179
   92    HA   ARG  11           HA       ARG  11   8.651 -35.572  18.583
   93    HE   ARG  11           HE       ARG  11  10.741 -37.588  19.532
   94    HB2  ARG  11           HB2      ARG  11   8.792 -37.954  18.179
   95    HB3  ARG  11           HB3      ARG  11   8.433 -37.752  16.469
   96    HG2  ARG  11           HG2      ARG  11  10.855 -38.197  17.035
   97    HG3  ARG  11           HG3      ARG  11  10.557 -36.820  15.994
   98    HD2  ARG  11           HD2      ARG  11  12.315 -36.357  17.644
   99    HD3  ARG  11           HD3      ARG  11  10.950 -35.254  17.823
  100   HH11  ARG  11          HH21      ARG  11  12.336 -34.378  19.325
  101   HH12  ARG  11          HH22      ARG  11  12.552 -34.265  21.030
  102   HH21  ARG  11          HH11      ARG  11  11.015 -37.363  21.791
  103   HH22  ARG  11          HH12      ARG  11  11.785 -35.974  22.453
  104    H    VAL  12           H        VAL  12   8.055 -33.455  17.940
  105    HA   VAL  12           HA       VAL  12   8.709 -32.765  15.119
  106    HB   VAL  12           HB       VAL  12   6.908 -31.112  15.170
  107   HG11  VAL  12          HG11      VAL  12   5.022 -32.579  14.936
  108   HG12  VAL  12          HG12      VAL  12   6.460 -33.421  14.334
  109   HG13  VAL  12          HG13      VAL  12   5.788 -33.837  15.920
  110   HG21  VAL  12          HG23      VAL  12   6.127 -32.262  17.893
  111   HG22  VAL  12          HG21      VAL  12   6.754 -30.639  17.595
  112   HG23  VAL  12          HG22      VAL  12   5.184 -31.112  16.936
  113    H    GLN  13           H        GLN  13  10.351 -32.775  17.659
  114    HA   GLN  13           HA       GLN  13  11.376 -30.030  17.388
  115    HB2  GLN  13           HB2      GLN  13  11.141 -31.380  20.115
  116    HB3  GLN  13           HB3      GLN  13  11.738 -29.764  19.736
  117    HG2  GLN  13           HG2      GLN  13   9.311 -29.354  18.843
  118    HG3  GLN  13           HG3      GLN  13   8.881 -30.767  19.795
  119   HE21  GLN  13          HE22      GLN  13   8.694 -27.572  19.939
  120   HE22  GLN  13          HE21      GLN  13   8.948 -27.251  21.647
  121    H    GLY  14           H        GLY  14  13.618 -29.998  17.505
  122    HA2  GLY  14           HA2      GLY  14  15.771 -30.741  17.746
  123    HA3  GLY  14           HA3      GLY  14  15.204 -32.162  18.648
  124    H    VAL  15           H        VAL  15  13.977 -31.236  15.422
  125    HA   VAL  15           HA       VAL  15  15.365 -33.582  14.199
  126    HB   VAL  15           HB       VAL  15  13.152 -34.246  13.202
  127   HG11  VAL  15          HG11      VAL  15  13.326 -34.520  16.222
  128   HG12  VAL  15          HG12      VAL  15  12.445 -35.569  15.092
  129   HG13  VAL  15          HG13      VAL  15  14.210 -35.503  15.036
  130   HG21  VAL  15          HG23      VAL  15  11.816 -32.238  13.638
  131   HG22  VAL  15          HG21      VAL  15  11.078 -33.648  14.413
  132   HG23  VAL  15          HG22      VAL  15  11.970 -32.472  15.388
  133    H    GLY  16           H        GLY  16  14.243 -30.319  13.904
  134    HA2  GLY  16           HA2      GLY  16  15.198 -28.924  12.232
  135    HA3  GLY  16           HA3      GLY  16  15.164 -30.260  11.065
  136    H    PHE  17           H        PHE  17  12.463 -29.601  13.366
  137    HA   PHE  17           HA       PHE  17  10.636 -29.829  11.127
  138    HD1  PHE  17           HD1      PHE  17   7.767 -28.083  12.218
  139    HD2  PHE  17           HD2      PHE  17   9.020 -32.167  12.762
  140    HE1  PHE  17           HE1      PHE  17   5.572 -28.869  11.367
  141    HE2  PHE  17           HE2      PHE  17   6.819 -32.954  11.921
  142    HZ   PHE  17           HZ       PHE  17   5.089 -31.308  11.218
  143    HB2  PHE  17           HB2      PHE  17  10.313 -30.407  13.689
  144    HB3  PHE  17           HB3      PHE  17   9.729 -28.753  13.777
  145    H    ARG  18           H        ARG  18  11.846 -27.051  13.098
  146    HA   ARG  18           HA       ARG  18  10.357 -25.017  11.783
  147    HE   ARG  18           HE       ARG  18  12.766 -25.652  15.535
  148    HB2  ARG  18           HB2      ARG  18  13.112 -25.132  13.053
  149    HB3  ARG  18           HB3      ARG  18  12.579 -23.664  12.230
  150    HG2  ARG  18           HG2      ARG  18  10.743 -23.326  13.671
  151    HG3  ARG  18           HG3      ARG  18  10.825 -24.954  14.347
  152    HD2  ARG  18           HD2      ARG  18  13.114 -22.975  14.684
  153    HD3  ARG  18           HD3      ARG  18  11.709 -22.981  15.764
  154   HH11  ARG  18          HH21      ARG  18  13.474 -22.508  17.075
  155   HH12  ARG  18          HH22      ARG  18  14.191 -23.214  18.480
  156   HH21  ARG  18          HH11      ARG  18  13.737 -26.575  17.337
  157   HH22  ARG  18          HH12      ARG  18  14.381 -25.581  18.625
  158    H    TYR  19           H        TYR  19  13.461 -26.542  10.714
  159    HA   TYR  19           HA       TYR  19  13.710 -24.828   8.431
  160    HD1  TYR  19           HD2      TYR  19  16.356 -24.375   7.683
  161    HD2  TYR  19           HD1      TYR  19  15.920 -26.636  11.335
  162    HE1  TYR  19           HE2      TYR  19  17.971 -22.870   8.798
  163    HE2  TYR  19           HE1      TYR  19  17.532 -25.133  12.462
  164    HH   TYR  19           HH       TYR  19  19.102 -22.371  10.775
  165    HB2  TYR  19           HB2      TYR  19  14.971 -27.474   9.232
  166    HB3  TYR  19           HB3      TYR  19  15.326 -26.674   7.718
  167    H    PHE  20           H        PHE  20  12.300 -28.101   8.893
  168    HA   PHE  20           HA       PHE  20  11.602 -28.600   6.204
  169    HD1  PHE  20           HD1      PHE  20  10.008 -30.778   5.411
  170    HD2  PHE  20           HD2      PHE  20   8.226 -29.611   9.164
  171    HE1  PHE  20           HE1      PHE  20   7.799 -31.593   4.625
  172    HE2  PHE  20           HE2      PHE  20   6.015 -30.381   8.358
  173    HZ   PHE  20           HZ       PHE  20   5.801 -31.384   6.084
  174    HB2  PHE  20           HB2      PHE  20  11.362 -30.383   7.684
  175    HB3  PHE  20           HB3      PHE  20  10.531 -29.430   8.895
  176    H    VAL  21           H        VAL  21   9.593 -26.966   8.756
  177    HA   VAL  21           HA       VAL  21   7.496 -26.303   6.968
  178    HB   VAL  21           HB       VAL  21   8.420 -25.044   9.572
  179   HG11  VAL  21          HG11      VAL  21   7.015 -23.403   8.373
  180   HG12  VAL  21          HG12      VAL  21   5.785 -24.656   8.095
  181   HG13  VAL  21          HG13      VAL  21   6.134 -24.086   9.740
  182   HG21  VAL  21          HG23      VAL  21   7.642 -27.422   9.743
  183   HG22  VAL  21          HG21      VAL  21   6.544 -26.316  10.563
  184   HG23  VAL  21          HG22      VAL  21   6.120 -26.973   8.969
  185    H    GLN  22           H        GLN  22  10.510 -24.501   7.784
  186    HA   GLN  22           HA       GLN  22   9.975 -22.101   6.384
  187    HB2  GLN  22           HB2      GLN  22  11.854 -22.478   7.957
  188    HB3  GLN  22           HB3      GLN  22  12.599 -23.564   6.792
  189    HG2  GLN  22           HG2      GLN  22  13.727 -21.512   6.558
  190    HG3  GLN  22           HG3      GLN  22  12.689 -21.693   5.146
  191   HE21  GLN  22          HE22      GLN  22  12.854 -19.379   4.783
  192   HE22  GLN  22          HE21      GLN  22  11.884 -18.275   5.745
  193    H    MET  23           H        MET  23  11.397 -25.214   5.197
  194    HA   MET  23           HA       MET  23  11.739 -24.130   2.523
  195    HB2  MET  23           HB2      MET  23  11.834 -26.976   3.632
  196    HB3  MET  23           HB3      MET  23  12.183 -26.564   1.947
  197    HG2  MET  23           HG2      MET  23  13.989 -25.052   2.656
  198    HG3  MET  23           HG3      MET  23  13.702 -25.459   4.344
  199    HE1  MET  23           HE3      MET  23  14.399 -27.686   5.504
  200    HE2  MET  23           HE1      MET  23  13.295 -28.592   4.442
  201    HE3  MET  23           HE2      MET  23  14.974 -29.129   4.646
  202    H    GLU  24           H        GLU  24   9.123 -26.100   4.093
  203    HA   GLU  24           HA       GLU  24   7.707 -26.542   1.641
  204    HB2  GLU  24           HB2      GLU  24   6.765 -26.370   4.541
  205    HB3  GLU  24           HB3      GLU  24   5.726 -26.796   3.193
  206    HG2  GLU  24           HG2      GLU  24   8.099 -28.369   4.233
  207    HG3  GLU  24           HG3      GLU  24   6.401 -28.819   4.283
  208    H    ALA  25           H        ALA  25   7.582 -23.864   4.058
  209    HA   ALA  25           HA       ALA  25   5.506 -22.411   2.748
  210    HB1  ALA  25           HB3      ALA  25   6.322 -20.509   4.080
  211    HB2  ALA  25           HB1      ALA  25   6.209 -21.969   5.079
  212    HB3  ALA  25           HB2      ALA  25   7.793 -21.411   4.498
  213    H    ASP  26           H        ASP  26   9.081 -22.365   2.396
  214    HA   ASP  26           HA       ASP  26   9.298 -20.238   0.563
  215    HB2  ASP  26           HB2      ASP  26  11.235 -21.392   1.702
  216    HB3  ASP  26           HB3      ASP  26  10.972 -22.782   0.671
  217    H    LYS  27           H        LYS  27   8.884 -23.763  -0.036
  218    HA   LYS  27           HA       LYS  27   8.727 -23.608  -2.858
  219    HB2  LYS  27           HB2      LYS  27   9.207 -25.646  -1.738
  220    HB3  LYS  27           HB3      LYS  27   7.726 -25.615  -0.812
  221    HG2  LYS  27           HG2      LYS  27   7.637 -25.771  -3.847
  222    HG3  LYS  27           HG3      LYS  27   8.043 -27.195  -2.913
  223    HD2  LYS  27           HD2      LYS  27   5.424 -25.650  -2.731
  224    HD3  LYS  27           HD3      LYS  27   5.672 -27.206  -3.495
  225    HE2  LYS  27           HE2      LYS  27   6.013 -26.633  -0.510
  226    HE3  LYS  27           HE3      LYS  27   4.601 -27.374  -1.241
  227    HZ1  LYS  27           HZ3      LYS  27   5.878 -29.285  -1.819
  228    HZ2  LYS  27           HZ1      LYS  27   7.302 -28.574  -1.420
  229    HZ3  LYS  27           HZ2      LYS  27   6.230 -28.923  -0.247
  230    H    ARG  28           H        ARG  28   6.157 -23.365  -0.388
  231    HA   ARG  28           HA       ARG  28   4.046 -23.000  -2.358
  232    HE   ARG  28           HE       ARG  28   1.945 -26.581   0.296
  233    HB2  ARG  28           HB2      ARG  28   4.188 -22.501   0.648
  234    HB3  ARG  28           HB3      ARG  28   2.717 -22.377  -0.304
  235    HG2  ARG  28           HG2      ARG  28   4.315 -24.954  -0.055
  236    HG3  ARG  28           HG3      ARG  28   2.975 -24.505   0.987
  237    HD2  ARG  28           HD2      ARG  28   1.474 -24.416  -0.999
  238    HD3  ARG  28           HD3      ARG  28   2.831 -24.911  -2.022
  239   HH11  ARG  28          HH21      ARG  28   2.490 -26.387  -3.218
  240   HH12  ARG  28          HH22      ARG  28   2.199 -28.062  -3.478
  241   HH21  ARG  28          HH11      ARG  28   1.347 -28.738  -0.092
  242   HH22  ARG  28          HH12      ARG  28   1.600 -29.443  -1.649
  243    H    LYS  29           H        LYS  29   6.560 -20.925  -1.505
  244    HA   LYS  29           HA       LYS  29   6.941 -18.740  -1.489
  245    HB2  LYS  29           HB2      LYS  29   4.800 -18.665  -3.651
  246    HB3  LYS  29           HB3      LYS  29   5.992 -17.401  -3.324
  247    HG2  LYS  29           HG2      LYS  29   7.834 -18.997  -3.820
  248    HG3  LYS  29           HG3      LYS  29   6.636 -20.244  -4.221
  249    HD2  LYS  29           HD2      LYS  29   5.728 -18.801  -6.021
  250    HD3  LYS  29           HD3      LYS  29   6.942 -17.559  -5.632
  251    HE2  LYS  29           HE2      LYS  29   8.757 -19.186  -6.124
  252    HE3  LYS  29           HE3      LYS  29   7.552 -20.419  -6.512
  253    HZ1  LYS  29           HZ3      LYS  29   6.805 -19.017  -8.348
  254    HZ2  LYS  29           HZ1      LYS  29   7.920 -17.876  -7.989
  255    HZ3  LYS  29           HZ2      LYS  29   8.392 -19.347  -8.501
  256    H    LEU  30           H        LEU  30   5.276 -19.554   0.595
  257    HA   LEU  30           HA       LEU  30   3.156 -17.532   0.955
  258    HG   LEU  30           HG       LEU  30   2.598 -20.369   0.801
  259    HB2  LEU  30           HB2      LEU  30   4.271 -19.821   2.630
  260    HB3  LEU  30           HB3      LEU  30   3.106 -18.677   3.277
  261   HD11  LEU  30          HD11      LEU  30   1.116 -21.695   2.261
  262   HD12  LEU  30          HD12      LEU  30   2.813 -21.797   2.768
  263   HD13  LEU  30          HD13      LEU  30   1.680 -20.779   3.673
  264   HD21  LEU  30          HD23      LEU  30   1.193 -18.395   0.750
  265   HD22  LEU  30          HD21      LEU  30   0.198 -19.763   1.243
  266   HD23  LEU  30          HD22      LEU  30   0.762 -18.601   2.463
  267    H    ALA  31           H        ALA  31   3.210 -16.361   3.120
  268    HA   ALA  31           HA       ALA  31   5.929 -15.486   3.927
  269    HB1  ALA  31           HB3      ALA  31   4.857 -13.764   2.439
  270    HB2  ALA  31           HB1      ALA  31   3.485 -13.689   3.576
  271    HB3  ALA  31           HB2      ALA  31   5.115 -13.199   4.091
  272    H    GLY  32           H        GLY  32   5.938 -14.873   6.311
  273    HA2  GLY  32           HA2      GLY  32   4.026 -14.999   8.217
  274    HA3  GLY  32           HA3      GLY  32   4.043 -16.666   7.661
  275    H    TRP  33           H        TRP  33   4.676 -17.360   9.770
  276    HA   TRP  33           HA       TRP  33   7.539 -17.403   9.971
  277    HD1  TRP  33           HD1      TRP  33   5.352 -18.580  13.322
  278    HE1  TRP  33           HE1      TRP  33   3.535 -17.710  14.861
  279    HE3  TRP  33           HE3      TRP  33   5.884 -13.559  12.433
  280    HZ2  TRP  33           HZ2      TRP  33   2.543 -15.144  15.767
  281    HZ3  TRP  33           HZ3      TRP  33   4.505 -11.925  13.681
  282    HH2  TRP  33           HH2      TRP  33   2.834 -12.702  15.352
  283    HB2  TRP  33           HB2      TRP  33   7.677 -16.925  12.339
  284    HB3  TRP  33           HB3      TRP  33   7.031 -15.552  11.476
  285    H    VAL  34           H        VAL  34   8.340 -19.047  11.475
  286    HA   VAL  34           HA       VAL  34   6.328 -20.931  12.529
  287    HB   VAL  34           HB       VAL  34   7.153 -22.032  10.535
  288   HG11  VAL  34          HG11      VAL  34   9.980 -21.860  11.650
  289   HG12  VAL  34          HG12      VAL  34   9.463 -22.689  10.170
  290   HG13  VAL  34          HG13      VAL  34   9.372 -20.927  10.270
  291   HG21  VAL  34          HG23      VAL  34   8.397 -23.315  13.006
  292   HG22  VAL  34          HG21      VAL  34   6.681 -23.379  12.570
  293   HG23  VAL  34          HG22      VAL  34   7.893 -24.135  11.530
  294    H    LYS  35           H        LYS  35   6.876 -21.691  14.595
  295    HA   LYS  35           HA       LYS  35   9.549 -21.145  15.656
  296    HB2  LYS  35           HB2      LYS  35   8.735 -20.039  17.674
  297    HB3  LYS  35           HB3      LYS  35   8.347 -19.101  16.240
  298    HG2  LYS  35           HG2      LYS  35   5.980 -19.981  16.333
  299    HG3  LYS  35           HG3      LYS  35   6.411 -20.876  17.797
  300    HD2  LYS  35           HD2      LYS  35   5.307 -18.885  18.502
  301    HD3  LYS  35           HD3      LYS  35   7.022 -18.701  18.895
  302    HE2  LYS  35           HE2      LYS  35   7.267 -17.389  16.709
  303    HE3  LYS  35           HE3      LYS  35   5.508 -17.454  16.550
  304    HZ1  LYS  35           HZ3      LYS  35   6.199 -15.405  17.603
  305    HZ2  LYS  35           HZ1      LYS  35   5.396 -16.289  18.718
  306    HZ3  LYS  35           HZ2      LYS  35   7.041 -16.206  18.760
  307    H    ASN  36           H        ASN  36   9.854 -22.397  17.723
  308    HA   ASN  36           HA       ASN  36   7.994 -24.714  17.854
  309    HB2  ASN  36           HB2      ASN  36  10.305 -25.003  16.573
  310    HB3  ASN  36           HB3      ASN  36  10.948 -25.183  18.211
  311   HD21  ASN  36          HD22      ASN  36  11.054 -27.363  16.278
  312   HD22  ASN  36          HD21      ASN  36   9.837 -28.533  16.732
  313    H    ARG  37           H        ARG  37   7.246 -24.995  19.874
  314    HA   ARG  37           HA       ARG  37   7.989 -22.775  21.639
  315    HE   ARG  37           HE       ARG  37   3.287 -23.544  22.495
  316    HB2  ARG  37           HB2      ARG  37   5.616 -24.701  21.624
  317    HB3  ARG  37           HB3      ARG  37   5.769 -23.277  22.648
  318    HG2  ARG  37           HG2      ARG  37   5.636 -21.782  20.746
  319    HG3  ARG  37           HG3      ARG  37   5.770 -23.116  19.592
  320    HD2  ARG  37           HD2      ARG  37   3.451 -22.294  19.806
  321    HD3  ARG  37           HD3      ARG  37   3.624 -24.007  20.202
  322   HH11  ARG  37          HH11      ARG  37   2.747 -20.526  20.570
  323   HH12  ARG  37          HH12      ARG  37   2.278 -19.649  21.980
  324   HH21  ARG  37          HH21      ARG  37   2.654 -22.418  24.186
  325   HH22  ARG  37          HH22      ARG  37   2.137 -20.746  24.100
  326    H    ASP  38           H        ASP  38   8.214 -22.985  23.940
  327    HA   ASP  38           HA       ASP  38   9.763 -25.211  24.799
  328    HB2  ASP  38           HB2      ASP  38   9.971 -22.978  25.793
  329    HB3  ASP  38           HB3      ASP  38   8.309 -23.058  26.386
  330    H    ASP  39           H        ASP  39   6.298 -24.585  24.957
  331    HA   ASP  39           HA       ASP  39   5.665 -26.698  26.762
  332    HB2  ASP  39           HB2      ASP  39   3.384 -26.385  26.185
  333    HB3  ASP  39           HB3      ASP  39   4.157 -24.818  26.339
  334    H    GLY  40           H        GLY  40   6.881 -26.909  23.604
  335    HA2  GLY  40           HA2      GLY  40   7.616 -29.058  22.930
  336    HA3  GLY  40           HA3      GLY  40   6.121 -29.784  23.504
  337    H    ARG  41           H        ARG  41   4.679 -27.297  22.113
  338    HA   ARG  41           HA       ARG  41   4.177 -28.833  19.675
  339    HE   ARG  41           HE       ARG  41   1.872 -26.201  22.755
  340    HB2  ARG  41           HB2      ARG  41   2.989 -26.258  20.787
  341    HB3  ARG  41           HB3      ARG  41   2.398 -27.090  19.349
  342    HG2  ARG  41           HG2      ARG  41   1.784 -29.064  20.607
  343    HG3  ARG  41           HG3      ARG  41   2.522 -28.447  22.088
  344    HD2  ARG  41           HD2      ARG  41   0.153 -27.185  20.673
  345    HD3  ARG  41           HD3      ARG  41   0.068 -28.231  22.102
  346   HH11  ARG  41          HH21      ARG  41  -1.596 -26.429  21.953
  347   HH12  ARG  41          HH22      ARG  41  -2.039 -25.015  22.833
  348   HH21  ARG  41          HH11      ARG  41   1.286 -24.344  23.924
  349   HH22  ARG  41          HH12      ARG  41  -0.367 -23.802  24.004
  350    H    VAL  42           H        VAL  42   4.192 -27.878  17.597
  351    HA   VAL  42           HA       VAL  42   6.165 -25.689  17.156
  352    HB   VAL  42           HB       VAL  42   4.679 -27.097  14.936
  353   HG11  VAL  42          HG11      VAL  42   7.455 -25.848  15.075
  354   HG12  VAL  42          HG12      VAL  42   6.675 -26.514  13.625
  355   HG13  VAL  42          HG13      VAL  42   6.008 -25.078  14.395
  356   HG21  VAL  42          HG23      VAL  42   5.642 -28.985  16.108
  357   HG22  VAL  42          HG21      VAL  42   6.565 -28.687  14.645
  358   HG23  VAL  42          HG22      VAL  42   7.221 -28.176  16.213
  359    H    GLU  43           H        GLU  43   5.352 -23.756  16.164
  360    HA   GLU  43           HA       GLU  43   2.436 -23.586  15.694
  361    HB2  GLU  43           HB2      GLU  43   2.628 -22.587  17.813
  362    HB3  GLU  43           HB3      GLU  43   4.127 -21.733  17.398
  363    HG2  GLU  43           HG2      GLU  43   2.939 -20.217  15.929
  364    HG3  GLU  43           HG3      GLU  43   1.451 -21.160  16.070
  365    H    ILE  44           H        ILE  44   1.941 -22.441  13.891
  366    HA   ILE  44           HA       ILE  44   4.111 -21.178  12.319
  367    HB   ILE  44           HB       ILE  44   1.936 -22.851  11.070
  368   HG12  ILE  44          HG12      ILE  44   4.591 -24.066  11.929
  369   HG13  ILE  44          HG13      ILE  44   2.998 -24.491  12.556
  370   HG21  ILE  44          HG21      ILE  44   4.741 -22.113  10.180
  371   HG22  ILE  44          HG22      ILE  44   3.539 -22.964   9.191
  372   HG23  ILE  44          HG23      ILE  44   3.251 -21.296   9.663
  373   HD11  ILE  44          HD13      ILE  44   4.007 -25.050   9.751
  374   HD12  ILE  44          HD11      ILE  44   3.626 -26.193  11.039
  375   HD13  ILE  44          HD12      ILE  44   2.329 -25.261  10.261
  376    H    LEU  45           H        LEU  45   3.308 -19.383  11.147
  377    HA   LEU  45           HA       LEU  45   0.392 -18.874  11.105
  378    HG   LEU  45           HG       LEU  45  -0.548 -16.613  11.688
  379    HB2  LEU  45           HB2      LEU  45   1.379 -17.588  13.005
  380    HB3  LEU  45           HB3      LEU  45   2.496 -16.801  11.891
  381   HD11  LEU  45          HD11      LEU  45   1.410 -14.630  12.917
  382   HD12  LEU  45          HD12      LEU  45  -0.349 -14.426  12.767
  383   HD13  LEU  45          HD13      LEU  45   0.305 -15.680  13.828
  384   HD21  LEU  45          HD23      LEU  45   0.336 -15.929   9.567
  385   HD22  LEU  45          HD21      LEU  45   0.104 -14.426  10.438
  386   HD23  LEU  45          HD22      LEU  45   1.731 -15.118  10.313
  387    H    ALA  46           H        ALA  46  -0.103 -18.458   8.948
  388    HA   ALA  46           HA       ALA  46   2.112 -17.672   7.136
  389    HB1  ALA  46           HB3      ALA  46   1.476 -19.452   5.564
  390    HB2  ALA  46           HB1      ALA  46   2.056 -20.128   7.099
  391    HB3  ALA  46           HB2      ALA  46   0.312 -20.100   6.741
  392    H    GLU  47           H        GLU  47   1.407 -16.620   5.278
  393    HA   GLU  47           HA       GLU  47  -1.433 -15.764   5.187
  394    HB2  GLU  47           HB2      GLU  47   1.094 -14.037   5.255
  395    HB3  GLU  47           HB3      GLU  47  -0.513 -13.448   4.797
  396    HG2  GLU  47           HG2      GLU  47  -1.404 -14.252   6.985
  397    HG3  GLU  47           HG3      GLU  47   0.237 -14.679   7.484
  398    H    GLY  48           H        GLY  48  -2.237 -15.709   3.146
  399    HA2  GLY  48           HA2      GLY  48  -0.853 -15.427   0.701
  400    HA3  GLY  48           HA3      GLY  48  -0.759 -17.126   1.172
  401    HA   PRO  49           HA       PRO  49  -4.943 -16.619  -0.791
  402    HB2  PRO  49           HB2      PRO  49  -4.612 -18.320  -2.911
  403    HB3  PRO  49           HB3      PRO  49  -4.188 -16.583  -2.980
  404    HG2  PRO  49           HG2      PRO  49  -2.354 -18.935  -2.508
  405    HG3  PRO  49           HG3      PRO  49  -2.096 -17.531  -3.585
  406    HD2  PRO  49           HD2      PRO  49  -1.021 -17.706  -1.054
  407    HD3  PRO  49           HD3      PRO  49  -1.489 -16.146  -1.793
  408    H    GLU  50           H        GLU  50  -6.539 -18.189  -0.489
  409    HA   GLU  50           HA       GLU  50  -6.128 -19.948   1.628
  410    HB2  GLU  50           HB2      GLU  50  -8.257 -18.847   0.919
  411    HB3  GLU  50           HB3      GLU  50  -8.362 -19.970  -0.442
  412    HG2  GLU  50           HG2      GLU  50  -8.424 -21.868   1.203
  413    HG3  GLU  50           HG3      GLU  50  -8.415 -20.699   2.520
  414    H    ASN  51           H        ASN  51  -6.018 -20.681  -1.887
  415    HA   ASN  51           HA       ASN  51  -6.043 -23.540  -1.516
  416    HB2  ASN  51           HB2      ASN  51  -6.590 -22.570  -3.699
  417    HB3  ASN  51           HB3      ASN  51  -4.989 -21.826  -3.809
  418   HD21  ASN  51          HD22      ASN  51  -6.638 -25.047  -3.615
  419   HD22  ASN  51          HD21      ASN  51  -5.364 -25.911  -4.430
  420    H    ALA  52           H        ALA  52  -3.410 -21.142  -1.628
  421    HA   ALA  52           HA       ALA  52  -1.297 -23.138  -1.617
  422    HB1  ALA  52           HB3      ALA  52  -0.860 -20.843  -2.417
  423    HB2  ALA  52           HB1      ALA  52  -1.218 -20.200  -0.791
  424    HB3  ALA  52           HB2      ALA  52   0.184 -21.256  -1.046
  425    H    LEU  53           H        LEU  53  -3.033 -21.209   0.885
  426    HA   LEU  53           HA       LEU  53  -1.498 -22.157   3.090
  427    HG   LEU  53           HG       LEU  53  -2.545 -19.436   2.330
  428    HB2  LEU  53           HB2      LEU  53  -4.357 -21.127   2.893
  429    HB3  LEU  53           HB3      LEU  53  -3.524 -21.438   4.405
  430   HD11  LEU  53          HD11      LEU  53  -3.394 -17.712   3.824
  431   HD12  LEU  53          HD12      LEU  53  -4.709 -18.781   3.325
  432   HD13  LEU  53          HD13      LEU  53  -4.008 -18.938   4.951
  433   HD21  LEU  53          HD23      LEU  53  -0.709 -20.247   3.748
  434   HD22  LEU  53          HD21      LEU  53  -1.127 -18.585   4.160
  435   HD23  LEU  53          HD22      LEU  53  -1.664 -19.914   5.204
  436    H    GLN  54           H        GLN  54  -4.541 -23.454   1.623
  437    HA   GLN  54           HA       GLN  54  -4.838 -25.666   3.390
  438    HB2  GLN  54           HB2      GLN  54  -5.570 -25.135   0.488
  439    HB3  GLN  54           HB3      GLN  54  -5.905 -26.691   1.224
  440    HG2  GLN  54           HG2      GLN  54  -7.305 -25.688   2.941
  441    HG3  GLN  54           HG3      GLN  54  -6.896 -24.064   2.375
  442   HE21  GLN  54          HE22      GLN  54  -7.479 -23.495   0.151
  443   HE22  GLN  54          HE21      GLN  54  -8.928 -24.185  -0.581
  444    H    SER  55           H        SER  55  -3.052 -25.417   0.251
  445    HA   SER  55           HA       SER  55  -2.151 -28.111   0.303
  446    HG   SER  55           HG       SER  55  -2.967 -25.746  -1.719
  447    HB2  SER  55           HB2      SER  55  -0.853 -25.723  -1.078
  448    HB3  SER  55           HB3      SER  55  -0.704 -27.437  -1.516
  449    H    PHE  56           H        PHE  56  -0.803 -25.177   1.792
  450    HA   PHE  56           HA       PHE  56   1.704 -26.300   2.581
  451    HD1  PHE  56           HD2      PHE  56   3.667 -25.021   3.404
  452    HD2  PHE  56           HD1      PHE  56   0.526 -23.174   5.731
  453    HE1  PHE  56           HE2      PHE  56   5.316 -24.357   5.136
  454    HE2  PHE  56           HE1      PHE  56   2.187 -22.471   7.407
  455    HZ   PHE  56           HZ       PHE  56   4.596 -23.014   7.090
  456    HB2  PHE  56           HB2      PHE  56   1.296 -23.924   2.441
  457    HB3  PHE  56           HB3      PHE  56   0.015 -24.007   3.629
  458    H    VAL  57           H        VAL  57  -1.518 -26.029   4.297
  459    HA   VAL  57           HA       VAL  57  -0.693 -27.403   6.634
  460    HB   VAL  57           HB       VAL  57  -3.382 -27.196   5.228
  461   HG11  VAL  57          HG11      VAL  57  -2.839 -28.472   7.944
  462   HG12  VAL  57          HG12      VAL  57  -4.440 -28.068   7.277
  463   HG13  VAL  57          HG13      VAL  57  -3.459 -29.304   6.500
  464   HG21  VAL  57          HG23      VAL  57  -2.415 -25.137   6.304
  465   HG22  VAL  57          HG21      VAL  57  -3.920 -25.691   7.066
  466   HG23  VAL  57          HG22      VAL  57  -2.368 -26.023   7.840
  467    H    GLU  58           H        GLU  58  -2.002 -28.684   3.527
  468    HA   GLU  58           HA       GLU  58  -2.024 -31.397   4.215
  469    HB2  GLU  58           HB2      GLU  58  -1.591 -30.012   1.550
  470    HB3  GLU  58           HB3      GLU  58  -1.756 -31.754   1.692
  471    HG2  GLU  58           HG2      GLU  58  -3.883 -29.823   2.709
  472    HG3  GLU  58           HG3      GLU  58  -3.851 -30.450   1.068
  473    H    ALA  59           H        ALA  59   0.638 -29.448   2.871
  474    HA   ALA  59           HA       ALA  59   2.537 -31.586   2.744
  475    HB1  ALA  59           HB3      ALA  59   2.882 -29.485   1.528
  476    HB2  ALA  59           HB1      ALA  59   3.010 -28.588   3.063
  477    HB3  ALA  59           HB2      ALA  59   4.228 -29.799   2.637
  478    H    VAL  60           H        VAL  60   1.878 -29.142   5.330
  479    HA   VAL  60           HA       VAL  60   3.992 -29.960   7.029
  480    HB   VAL  60           HB       VAL  60   1.416 -28.430   7.510
  481   HG11  VAL  60          HG11      VAL  60   3.694 -28.794   9.508
  482   HG12  VAL  60          HG12      VAL  60   2.316 -27.682   9.668
  483   HG13  VAL  60          HG13      VAL  60   2.045 -29.420   9.694
  484   HG21  VAL  60          HG23      VAL  60   3.246 -27.362   6.112
  485   HG22  VAL  60          HG21      VAL  60   2.917 -26.494   7.612
  486   HG23  VAL  60          HG22      VAL  60   4.345 -27.544   7.476
  487    H    LYS  61           H        LYS  61   0.703 -31.344   6.629
  488    HA   LYS  61           HA       LYS  61   0.715 -32.879   9.004
  489    HB2  LYS  61           HB2      LYS  61  -0.353 -34.092   6.454
  490    HB3  LYS  61           HB3      LYS  61  -0.910 -34.296   8.117
  491    HG2  LYS  61           HG2      LYS  61  -1.626 -31.807   7.989
  492    HG3  LYS  61           HG3      LYS  61  -1.353 -31.988   6.249
  493    HD2  LYS  61           HD2      LYS  61  -3.369 -33.517   7.911
  494    HD3  LYS  61           HD3      LYS  61  -3.680 -32.256   6.708
  495    HE2  LYS  61           HE2      LYS  61  -2.411 -33.851   5.051
  496    HE3  LYS  61           HE3      LYS  61  -2.696 -35.100   6.272
  497    HZ1  LYS  61           HZ3      LYS  61  -5.107 -34.518   6.060
  498    HZ2  LYS  61           HZ1      LYS  61  -4.710 -33.495   4.819
  499    HZ3  LYS  61           HZ2      LYS  61  -4.465 -35.107   4.677
  500    H    ASN  62           H        ASN  62   2.703 -33.296   6.144
  501    HA   ASN  62           HA       ASN  62   3.276 -36.083   6.506
  502    HB2  ASN  62           HB2      ASN  62   3.688 -34.734   4.396
  503    HB3  ASN  62           HB3      ASN  62   5.060 -33.979   5.210
  504   HD21  ASN  62          HD22      ASN  62   6.988 -35.305   5.647
  505   HD22  ASN  62          HD21      ASN  62   7.192 -36.837   4.826
  506    H    GLY  63           H        GLY  63   4.580 -33.108   7.896
  507    HA2  GLY  63           HA2      GLY  63   6.257 -32.650   9.375
  508    HA3  GLY  63           HA3      GLY  63   6.331 -34.359   9.825
  509    H    SER  64           H        SER  64   8.739 -32.996   9.670
  510    HA   SER  64           HA       SER  64  10.056 -33.297   7.188
  511    HG   SER  64           HG       SER  64  11.423 -31.712  10.401
  512    HB2  SER  64           HB2      SER  64  11.796 -33.815   9.465
  513    HB3  SER  64           HB3      SER  64  11.795 -32.473   8.334
  514    HA   PRO  65           HA       PRO  65  10.717 -37.711   6.807
  515    HB2  PRO  65           HB2      PRO  65  13.666 -37.088   6.579
  516    HB3  PRO  65           HB3      PRO  65  12.655 -38.142   5.541
  517    HG2  PRO  65           HG2      PRO  65  13.333 -35.650   4.715
  518    HG3  PRO  65           HG3      PRO  65  11.663 -36.255   4.467
  519    HD2  PRO  65           HD2      PRO  65  12.685 -34.393   6.621
  520    HD3  PRO  65           HD3      PRO  65  11.183 -34.297   5.649
  521    H    PHE  66           H        PHE  66  12.804 -35.900   9.003
  522    HA   PHE  66           HA       PHE  66  13.709 -38.190  10.533
  523    HD1  PHE  66           HD1      PHE  66  16.250 -37.954   9.957
  524    HD2  PHE  66           HD2      PHE  66  14.731 -33.961   9.337
  525    HE1  PHE  66           HE1      PHE  66  17.822 -37.645   8.062
  526    HE2  PHE  66           HE2      PHE  66  16.299 -33.663   7.438
  527    HZ   PHE  66           HZ       PHE  66  17.847 -35.503   6.795
  528    HB2  PHE  66           HB2      PHE  66  13.929 -35.225  11.159
  529    HB3  PHE  66           HB3      PHE  66  14.936 -36.517  11.797
  530    H    SER  67           H        SER  67  10.691 -36.823  10.498
  531    HA   SER  67           HA       SER  67  10.410 -36.516  13.446
  532    HG   SER  67           HG       SER  67  10.570 -33.508  11.321
  533    HB2  SER  67           HB2      SER  67   8.994 -35.028  11.210
  534    HB3  SER  67           HB3      SER  67   9.065 -34.597  12.925
  535    H    LYS  68           H        LYS  68   8.099 -36.578  14.178
  536    HA   LYS  68           HA       LYS  68   6.216 -38.014  12.466
  537    HB2  LYS  68           HB2      LYS  68   7.412 -39.872  13.662
  538    HB3  LYS  68           HB3      LYS  68   6.961 -39.143  15.202
  539    HG2  LYS  68           HG2      LYS  68   5.388 -40.874  14.820
  540    HG3  LYS  68           HG3      LYS  68   4.519 -39.381  14.501
  541    HD2  LYS  68           HD2      LYS  68   5.044 -39.797  11.980
  542    HD3  LYS  68           HD3      LYS  68   5.654 -41.368  12.496
  543    HE2  LYS  68           HE2      LYS  68   3.474 -41.897  11.920
  544    HE3  LYS  68           HE3      LYS  68   3.336 -41.660  13.663
  545    HZ1  LYS  68           HZ3      LYS  68   2.559 -39.751  11.533
  546    HZ2  LYS  68           HZ1      LYS  68   1.564 -40.513  12.568
  547    HZ3  LYS  68           HZ2      LYS  68   2.563 -39.330  13.110
  548    H    VAL  69           H        VAL  69   5.049 -36.125  12.454
  549    HA   VAL  69           HA       VAL  69   3.972 -34.879  14.834
  550    HB   VAL  69           HB       VAL  69   3.916 -33.591  12.891
  551   HG11  VAL  69          HG11      VAL  69   4.239 -35.203  11.102
  552   HG12  VAL  69          HG12      VAL  69   2.593 -35.843  11.342
  553   HG13  VAL  69          HG13      VAL  69   2.855 -34.184  10.760
  554   HG21  VAL  69          HG23      VAL  69   1.817 -33.461  14.183
  555   HG22  VAL  69          HG21      VAL  69   1.575 -33.096  12.467
  556   HG23  VAL  69          HG22      VAL  69   1.074 -34.666  13.108
  557    H    THR  70           H        THR  70   2.183 -35.486  15.998
  558    HA   THR  70           HA       THR  70   0.718 -37.951  15.189
  559    HB   THR  70           HB       THR  70   0.616 -38.467  17.625
  560    HG1  THR  70           HG1      THR  70   0.987 -36.562  18.634
  561   HG21  THR  70          HG23      THR  70   2.426 -39.443  16.188
  562   HG22  THR  70          HG21      THR  70   3.482 -38.089  16.657
  563   HG23  THR  70          HG22      THR  70   2.910 -39.241  17.883
  564    H    ASP  71           H        ASP  71   0.496 -34.577  16.109
  565    HA   ASP  71           HA       ASP  71  -2.400 -34.721  15.716
  566    HB2  ASP  71           HB2      ASP  71  -2.210 -34.955  18.176
  567    HB3  ASP  71           HB3      ASP  71  -1.178 -33.522  18.236
  568    H    ILE  72           H        ILE  72  -3.230 -32.669  15.052
  569    HA   ILE  72           HA       ILE  72  -1.464 -30.409  14.722
  570    HB   ILE  72           HB       ILE  72  -0.664 -31.778  12.906
  571   HG12  ILE  72          HG12      ILE  72  -2.443 -29.631  11.697
  572   HG13  ILE  72          HG13      ILE  72  -0.970 -29.299  12.609
  573   HG21  ILE  72          HG21      ILE  72  -2.623 -33.282  12.578
  574   HG22  ILE  72          HG22      ILE  72  -3.493 -31.949  11.790
  575   HG23  ILE  72          HG23      ILE  72  -2.021 -32.626  11.066
  576   HD11  ILE  72          HD13      ILE  72  -1.128 -30.865  10.001
  577   HD12  ILE  72          HD11      ILE  72  -0.466 -29.243  10.239
  578   HD13  ILE  72          HD12      ILE  72   0.346 -30.645  10.969
  579    H    SER  73           H        SER  73  -2.670 -28.528  14.351
  580    HA   SER  73           HA       SER  73  -5.609 -28.714  13.986
  581    HG   SER  73           HG       SER  73  -5.360 -28.695  17.585
  582    HB2  SER  73           HB2      SER  73  -4.210 -27.218  16.251
  583    HB3  SER  73           HB3      SER  73  -5.949 -27.237  15.922
  584    H    VAL  74           H        VAL  74  -6.511 -26.640  13.302
  585    HA   VAL  74           HA       VAL  74  -4.553 -24.663  12.286
  586    HB   VAL  74           HB       VAL  74  -6.786 -25.943  10.653
  587   HG11  VAL  74          HG11      VAL  74  -6.383 -23.630   9.937
  588   HG12  VAL  74          HG12      VAL  74  -4.634 -23.927   9.856
  589   HG13  VAL  74          HG13      VAL  74  -5.744 -24.741   8.733
  590   HG21  VAL  74          HG23      VAL  74  -4.981 -26.912   9.256
  591   HG22  VAL  74          HG21      VAL  74  -3.773 -26.331  10.422
  592   HG23  VAL  74          HG22      VAL  74  -4.966 -27.567  10.888
  593    H    THR  75           H        THR  75  -5.380 -22.587  12.120
  594    HA   THR  75           HA       THR  75  -8.170 -21.993  12.876
  595    HB   THR  75           HB       THR  75  -5.795 -20.502  14.066
  596    HG1  THR  75           HG1      THR  75  -5.746 -22.595  14.875
  597   HG21  THR  75          HG23      THR  75  -7.485 -19.791  15.774
  598   HG22  THR  75          HG21      THR  75  -7.861 -19.214  14.151
  599   HG23  THR  75          HG22      THR  75  -8.749 -20.603  14.823
  600    H    GLU  76           H        GLU  76  -8.609 -19.615  12.182
  601    HA   GLU  76           HA       GLU  76  -7.005 -18.870   9.781
  602    HB2  GLU  76           HB2      GLU  76  -9.968 -19.528  10.045
  603    HB3  GLU  76           HB3      GLU  76  -9.386 -18.433   8.786
  604    HG2  GLU  76           HG2      GLU  76  -7.983 -20.076   7.827
  605    HG3  GLU  76           HG3      GLU  76  -8.254 -21.228   9.142
  606    H    SER  77           H        SER  77  -7.368 -16.670   9.100
  607    HA   SER  77           HA       SER  77  -9.087 -14.872  10.587
  608    HG   SER  77           HG       SER  77  -7.740 -15.793  12.365
  609    HB2  SER  77           HB2      SER  77  -6.047 -14.653  10.838
  610    HB3  SER  77           HB3      SER  77  -7.159 -13.337  11.233
  611    H    ARG  78           H        ARG  78  -9.081 -12.720   9.576
  612    HA   ARG  78           HA       ARG  78  -7.751 -12.621   6.904
  613    HE   ARG  78           HE       ARG  78  -9.426 -10.675   2.749
  614    HB2  ARG  78           HB2      ARG  78 -10.158 -12.941   6.681
  615    HB3  ARG  78           HB3      ARG  78 -10.484 -11.576   7.746
  616    HG2  ARG  78           HG2      ARG  78 -10.873 -11.044   5.375
  617    HG3  ARG  78           HG3      ARG  78  -9.665  -9.998   6.104
  618    HD2  ARG  78           HD2      ARG  78  -7.865 -11.479   5.041
  619    HD3  ARG  78           HD3      ARG  78  -9.163 -12.371   4.252
  620   HH11  ARG  78          HH21      ARG  78  -7.459  -9.396   5.442
  621   HH12  ARG  78          HH22      ARG  78  -6.981  -7.977   4.579
  622   HH21  ARG  78          HH11      ARG  78  -8.822  -8.754   1.647
  623   HH22  ARG  78          HH12      ARG  78  -7.780  -7.603   2.390
  624    H    SER  79           H        SER  79  -7.992 -11.115  10.005
  625    HA   SER  79           HA       SER  79  -6.963  -8.534   9.158
  626    HG   SER  79           HG       SER  79  -8.951  -8.602  12.138
  627    HB2  SER  79           HB2      SER  79  -7.019  -9.834  11.909
  628    HB3  SER  79           HB3      SER  79  -6.789  -8.113  11.542
  629    H    LEU  80           H        LEU  80  -5.315  -9.758   7.733
  630    HA   LEU  80           HA       LEU  80  -3.146 -11.195   8.688
  631    HG   LEU  80           HG       LEU  80  -2.995 -12.236   6.653
  632    HB2  LEU  80           HB2      LEU  80  -3.450  -9.241   6.371
  633    HB3  LEU  80           HB3      LEU  80  -1.899  -9.957   6.762
  634   HD11  LEU  80          HD11      LEU  80  -5.325 -11.794   6.660
  635   HD12  LEU  80          HD12      LEU  80  -5.190 -10.633   5.308
  636   HD13  LEU  80          HD13      LEU  80  -4.938 -12.364   5.038
  637   HD21  LEU  80          HD23      LEU  80  -2.626 -12.386   4.275
  638   HD22  LEU  80          HD21      LEU  80  -2.858 -10.624   4.076
  639   HD23  LEU  80          HD22      LEU  80  -1.447 -11.259   4.946
  640    H    GLU  81           H        GLU  81  -1.072 -10.732   9.281
  641    HA   GLU  81           HA       GLU  81  -0.428  -8.199  10.630
  642    HB2  GLU  81           HB2      GLU  81   1.174 -10.697   9.939
  643    HB3  GLU  81           HB3      GLU  81   1.831  -9.324  10.826
  644    HG2  GLU  81           HG2      GLU  81  -0.455 -11.124  11.747
  645    HG3  GLU  81           HG3      GLU  81   1.206 -11.189  12.313
  646    H    GLY  82           H        GLY  82   0.218  -9.941   7.580
  647    HA2  GLY  82           HA2      GLY  82   0.371  -8.879   5.497
  648    HA3  GLY  82           HA3      GLY  82   0.818  -7.348   6.265
  649    H    HIS  83           H        HIS  83   2.159 -10.698   6.562
  650    HA   HIS  83           HA       HIS  83   4.902  -9.859   6.601
  651    HD1  HIS  83           HD1      HIS  83   2.053 -12.141   8.222
  652    HD2  HIS  83           HD2      HIS  83   6.234 -12.441   8.635
  653    HE1  HIS  83           HE1      HIS  83   2.509 -12.713  10.687
  654    HB2  HIS  83           HB2      HIS  83   3.594 -12.536   5.950
  655    HB3  HIS  83           HB3      HIS  83   5.319 -12.287   6.198
  656    H    HIS  84           H        HIS  84   6.509 -10.207   4.947
  657    HA   HIS  84           HA       HIS  84   5.526 -10.519   2.139
  658    HD1  HIS  84           HD1      HIS  84   3.959  -8.750   2.712
  659    HD2  HIS  84           HD2      HIS  84   7.090  -6.017   2.040
  660    HE1  HIS  84           HE1      HIS  84   2.865  -6.466   2.420
  661    HB2  HIS  84           HB2      HIS  84   7.636  -8.598   3.197
  662    HB3  HIS  84           HB3      HIS  84   7.356  -8.932   1.495
  663    H    ARG  85           H        ARG  85   7.393 -11.902   4.559
  664    HA   ARG  85           HA       ARG  85   8.785 -13.646   2.662
  665    HE   ARG  85           HE       ARG  85  12.286 -10.233   1.590
  666    HB2  ARG  85           HB2      ARG  85  10.188 -12.225   4.989
  667    HB3  ARG  85           HB3      ARG  85  10.853 -13.591   4.089
  668    HG2  ARG  85           HG2      ARG  85  10.807 -12.232   1.998
  669    HG3  ARG  85           HG3      ARG  85  10.238 -10.836   2.942
  670    HD2  ARG  85           HD2      ARG  85  12.273 -10.942   4.340
  671    HD3  ARG  85           HD3      ARG  85  12.855 -12.327   3.390
  672   HH11  ARG  85          HH21      ARG  85  14.604 -10.905   4.195
  673   HH12  ARG  85          HH22      ARG  85  15.847  -9.906   3.542
  674   HH21  ARG  85          HH11      ARG  85  13.943  -8.896   0.717
  675   HH22  ARG  85          HH12      ARG  85  15.458  -8.738   1.518
  676    H    PHE  86           H        PHE  86   9.638 -15.587   4.117
  677    HA   PHE  86           HA       PHE  86   7.748 -16.020   6.365
  678    HD1  PHE  86           HD1      PHE  86   9.311 -19.584   6.419
  679    HD2  PHE  86           HD2      PHE  86   5.351 -18.027   5.810
  680    HE1  PHE  86           HE1      PHE  86   8.426 -21.194   8.085
  681    HE2  PHE  86           HE2      PHE  86   4.466 -19.605   7.500
  682    HZ   PHE  86           HZ       PHE  86   5.999 -21.193   8.630
  683    HB2  PHE  86           HB2      PHE  86   7.186 -17.386   4.348
  684    HB3  PHE  86           HB3      PHE  86   8.770 -18.142   4.464
  685    H    SER  87           H        SER  87   8.777 -16.557   8.304
  686    HA   SER  87           HA       SER  87  11.741 -17.019   8.147
  687    HG   SER  87           HG       SER  87  11.286 -13.491   8.655
  688    HB2  SER  87           HB2      SER  87  10.264 -15.079   9.965
  689    HB3  SER  87           HB3      SER  87  12.017 -15.308   9.850
  690    H    ILE  88           H        ILE  88  12.719 -18.235   9.734
  691    HA   ILE  88           HA       ILE  88  11.076 -19.647  11.695
  692    HB   ILE  88           HB       ILE  88  14.111 -19.454  11.447
  693   HG12  ILE  88          HG12      ILE  88  12.277 -21.697  10.453
  694   HG13  ILE  88          HG13      ILE  88  12.969 -20.453   9.415
  695   HG21  ILE  88          HG21      ILE  88  13.382 -20.165  13.691
  696   HG22  ILE  88          HG22      ILE  88  12.295 -21.371  12.983
  697   HG23  ILE  88          HG23      ILE  88  14.063 -21.541  12.845
  698   HD11  ILE  88          HD13      ILE  88  14.294 -22.380   9.157
  699   HD12  ILE  88          HD11      ILE  88  15.244 -21.151  10.010
  700   HD13  ILE  88          HD12      ILE  88  14.563 -22.541  10.902
  701    H    VAL  89           H        VAL  89  10.905 -19.090  13.845
  702    HA   VAL  89           HA       VAL  89  12.171 -16.614  14.875
  703    HB   VAL  89           HB       VAL  89   9.218 -17.403  14.840
  704   HG11  VAL  89          HG11      VAL  89   9.644 -16.500  17.059
  705   HG12  VAL  89          HG12      VAL  89  10.525 -15.110  16.367
  706   HG13  VAL  89          HG13      VAL  89   8.782 -15.302  16.100
  707   HG21  VAL  89          HG23      VAL  89  10.674 -14.949  13.757
  708   HG22  VAL  89          HG21      VAL  89   9.942 -16.247  12.791
  709   HG23  VAL  89          HG22      VAL  89   8.914 -15.187  13.753
  710    H    TYR  90           H        TYR  90  12.268 -16.638  17.232
  711    HA   TYR  90           HA       TYR  90  12.493 -19.404  18.325
  712    HD1  TYR  90           HD1      TYR  90  14.732 -16.868  15.926
  713    HD2  TYR  90           HD2      TYR  90  15.233 -20.724  17.795
  714    HE1  TYR  90           HE1      TYR  90  15.738 -17.742  13.840
  715    HE2  TYR  90           HE2      TYR  90  16.249 -21.607  15.718
  716    HH   TYR  90           HH       TYR  90  16.928 -21.121  13.538
  717    HB2  TYR  90           HB2      TYR  90  14.543 -17.153  18.392
  718    HB3  TYR  90           HB3      TYR  90  14.731 -18.736  19.123
  719    H    SER  91           H        SER  91  10.632 -16.892  18.866
  720    HA   SER  91           HA       SER  91  10.855 -16.905  21.806
  721    HG   SER  91           HG       SER  91  12.718 -13.903  21.034
  722    HB2  SER  91           HB2      SER  91  10.641 -14.372  20.118
  723    HB3  SER  91           HB3      SER  91  10.644 -14.471  21.883