*HEADER    METAL BINDING PROTEIN                   15-MAY-12   2RSQ              
*TITLE     COPPER(I) LOADED FORM OF THE FIRST DOMAIN OF THE HUMAN COPPER         
*TITLE    2 CHAPERONE FOR SOD1, CCS                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-85;                                         
*COMPND   5 SYNONYM: SUPEROXIDE DISMUTASE COPPER CHAPERONE,  D1CCS;              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CCS;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PDEST-HIS-MPB                              
*KEYWDS    COPPER CHAPERONE, HUMAN CCS, HUMAN SOD1, METAL BINDING PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.BANCI, I.BERTINI, F.CANTINI, T.KOZYREVA, J.T.RUBINO                 
*REVDAT   1   03-APR-13 2RSQ    0                                                


#
#  24 SER HA  27 ASP HB2 4.01
 &rst iat=  325, 364, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  27 ASP HB3 4.66
 &rst iat=  325, 365, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  28 ALA H 4.41
 &rst iat=  325, 372, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  26 VAL H 5.90
 &rst iat=  325, 344, r1= 5.40, r2= 5.90,
 r3= 5.90, r4= 6.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER HA  27 ASP H 3.91
 &rst iat=  325, 360, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  2 ALA 1HB 2HB 3HB    2 ALA H 3.67 
 &rst iat= 21, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 25, 26, 27,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  2 ALA H  3 SER HA 4.12
 &rst iat=  21, 33, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  2 ALA 1HB 2HB 3HB    3 SER H 4.35 
 &rst iat= -1, 31, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 25, 26, 27,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  4 ASP 2HB 3HB    3 SER HA 4.43 
 &rst iat= 33, -1, r1= 4.47, r2= 4.97, r3= 4.97, r4= 5.47,
 igr1= 0,  igr2= 46, 47,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  3 SER HA  5 SER H 4.31
 &rst iat=  33, 54, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  3 SER HB3  4 ASP H 4.20
 &rst iat=  36, 42, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  4 ASP 2HB 3HB    4 ASP H 3.81 
 &rst iat= 42, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 0,  igr2= 46, 47,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  5 SER H  5 SER HB3 4.07
 &rst iat=  54, 59, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  6 GLY 2HA 3HA    7 ASN H 2.80 
 &rst iat= -1, 72, r1= 2.64, r2= 3.14, r3= 3.14, r4= 3.64,
 igr1= 67, 68,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  6 GLY 2HA 3HA    7 ASN HD22 5.44 
 &rst iat= -1, 82, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 67, 68,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  7 ASN H  7 ASN HB2 4.06
 &rst iat=  72, 76, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ASN H  8 GLN H 4.09
 &rst iat=  72, 86, r1= 3.59, r2= 4.09,
 r3= 4.09, r4= 4.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ASN HA  7 ASN HD21 4.27
 &rst iat=  74, 81, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ASN HA  8 GLN H 3.46
 &rst iat=  74, 86, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ASN HB2  8 GLN H 4.37
 &rst iat=  76, 86, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  7 ASN HB3  8 GLN H 4.46
 &rst iat=  77, 86, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN H  8 GLN HB2 3.84
 &rst iat=  86, 90, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN H  8 GLN HB3 3.62
 &rst iat=  86, 91, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN H  8 GLN HG3 3.65
 &rst iat=  86, 94, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HA  8 GLN HB3 2.68
 &rst iat=  88, 91, r1= 2.18, r2= 2.68,
 r3= 2.68, r4= 3.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HA  8 GLN HE21 5.16
 &rst iat=  88, 98, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HA  9 GLY H 2.77
 &rst iat=  88, 103, r1= 2.27, r2= 2.77,
 r3= 2.77, r4= 3.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HB2  8 GLN HG3 2.40
 &rst iat=  90, 94, r1= 1.90, r2= 2.40,
 r3= 2.40, r4= 2.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HB2  9 GLY H 4.34
 &rst iat=  90, 103, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HB3  9 GLY H 3.51
 &rst iat=  91, 103, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  8 GLN HG3  9 GLY H 4.76
 &rst iat=  94, 103, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 GLY H  10 THR H 3.96
 &rst iat=  103, 110, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 GLY H  56 THR HB 4.54
 &rst iat=  103, 806, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  9 GLY 2HA 3HA    9 GLY H 2.78 
 &rst iat= 103, -1, r1= 2.62, r2= 3.12, r3= 3.12, r4= 3.62,
 igr1= 0,  igr2= 105, 106,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 GLY 2HA 3HA    10 THR H 2.56 
 &rst iat= -1, 110, r1= 2.37, r2= 2.87, r3= 2.87, r4= 3.37,
 igr1= 105, 106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 GLY 2HA 3HA    10 THR 1HG2 2HG2 3HG2  4.89
 &rst iat= -1, -1, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 105, 106,   igr2= 116, 117, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 GLY 2HA 3HA    56 THR HB 3.95 
 &rst iat= -1, 806, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 105, 106,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  9 GLY 2HA 3HA    56 THR 1HG2 2HG2 3HG2  4.76
 &rst iat= -1, -1, r1= 5.92, r2= 6.42, r3= 6.42, r4= 6.92,
 igr1= 105, 106,   igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR H  10 THR HB 3.23
 &rst iat=  110, 114, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    10 THR H 3.71 
 &rst iat= 110, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 116, 117, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR H  11 LEU H 4.38
 &rst iat=  110, 124, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR H  56 THR HB 4.77
 &rst iat=  110, 806, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    10 THR H 4.69 
 &rst iat= 110, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HA  10 THR HB 2.40
 &rst iat=  112, 114, r1= 1.90, r2= 2.40,
 r3= 2.40, r4= 2.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    10 THR HA 3.23 
 &rst iat= 112, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 116, 117, 118,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HA  11 LEU H 2.59
 &rst iat=  112, 124, r1= 2.09, r2= 2.59,
 r3= 2.59, r4= 3.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR HA  11 LEU HB2 4.51
 &rst iat=  112, 128, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR HA  56 THR HA 4.48
 &rst iat=  112, 804, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR HA  56 THR HB 3.32
 &rst iat=  112, 806, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    10 THR HA 4.64 
 &rst iat= 112, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR HB  11 LEU H 3.83
 &rst iat=  114, 124, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    11 LEU H 3.76 
 &rst iat= -1, 124, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 116, 117, 118,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  10 THR 1HG2 2HG2 3HG2    12 CYS 2HB 3HB  4.53
 &rst iat= -1, -1, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 116, 117, 118,   igr2= 147, 148,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU H  11 LEU HB2 3.17
 &rst iat=  124, 128, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU H  11 LEU HB3 3.19
 &rst iat=  124, 129, r1= 2.69, r2= 3.19,
 r3= 3.19, r4= 3.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU H  11 LEU HG 4.59
 &rst iat=  124, 131, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    11 LEU H 4.45 
 &rst iat= 124, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 133, 134, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU H  11 LEU CG 3.97
 &rst iat=  124, 130, r1= 3.47, r2= 3.97,
 r3= 8.37, r4= 8.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU H  12 CYS H 4.56
 &rst iat=  124, 143, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    11 LEU H 4.07 
 &rst iat= 124, -1, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU HA  11 LEU HG 3.80
 &rst iat=  126, 131, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    11 LEU HA 3.77 
 &rst iat= 126, -1, r1= 4.03, r2= 4.53, r3= 4.53, r4= 5.03,
 igr1= 0,  igr2= 133, 134, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    11 LEU HA 3.34 
 &rst iat= 126, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 137, 138, 139,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU HA  11 LEU CG 3.34
 &rst iat=  126, 130, r1= 2.84, r2= 3.34,
 r3= 7.74, r4= 8.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU HA  12 CYS H 2.78
 &rst iat=  126, 143, r1= 2.28, r2= 2.78,
 r3= 2.78, r4= 3.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU HA  12 CYS HA 4.51
 &rst iat=  126, 145, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 CYS 2HB 3HB    11 LEU HA 4.15 
 &rst iat= 126, -1, r1= 4.16, r2= 4.66, r3= 4.66, r4= 5.16,
 igr1= 0,  igr2= 147, 148,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU HA  55 THR H 4.28
 &rst iat=  126, 788, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU HA  56 THR H 4.26
 &rst iat=  126, 802, r1= 3.76, r2= 4.26,
 r3= 4.26, r4= 4.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU HA  56 THR HA 3.59
 &rst iat=  126, 804, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU HA  56 THR HB 4.82
 &rst iat=  126, 806, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    11 LEU HA 3.47 
 &rst iat= 126, -1, r1= 3.67, r2= 4.17, r3= 4.17, r4= 4.67,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    11 LEU HB3 3.10 
 &rst iat= 129, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 133, 134, 135,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU HB3  12 CYS H 3.80
 &rst iat=  129, 143, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    11 LEU HB3 5.48 
 &rst iat= 129, -1, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN 2HG 3HG    11 LEU HG 5.15 
 &rst iat= 131, -1, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU HG  55 THR HA 5.29
 &rst iat=  131, 790, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    40 GLN HB3 3.72 
 &rst iat= -1, 552, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 133, 134, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    40 GLN HE21 4.93 
 &rst iat= -1, 559, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 133, 134, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    40 GLN 2HG 3HG  4.17
 &rst iat= -1, -1, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 133, 134, 135,   igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD1 2HD1 3HD1    56 THR H 4.62 
 &rst iat= -1, 802, r1= 5.05, r2= 5.55, r3= 5.55, r4= 6.05,
 igr1= 133, 134, 135,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    12 CYS H 3.46 
 &rst iat= -1, 143, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    40 GLN HE22 5.27 
 &rst iat= -1, 560, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    40 GLN 2HG 3HG  3.26
 &rst iat= -1, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 137, 138, 139,   igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    54 HID HB2 4.28 
 &rst iat= -1, 775, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    54 HID HB3 4.02 
 &rst iat= -1, 776, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    55 THR H 4.72 
 &rst iat= -1, 788, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    55 THR HA 3.54 
 &rst iat= -1, 790, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU CG  40 GLN H 3.88
 &rst iat=  130, 547, r1= 3.38, r2= 3.88,
 r3= 8.28, r4= 8.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU CG  40 GLN HB2 3.63
 &rst iat=  130, 551, r1= 3.13, r2= 3.63,
 r3= 8.03, r4= 8.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU CG  40 GLN HE21 4.68
 &rst iat=  130, 559, r1= 4.18, r2= 4.68,
 r3= 9.08, r4= 9.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  11 LEU CG  40 GLN HE22 5.47
 &rst iat=  130, 560, r1= 4.97, r2= 5.47,
 r3= 9.87, r4= 10.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    11 LEU CG 4.03 
 &rst iat= 130, -1, r1= 4.02, r2= 4.52, r3= 8.92, r4= 9.42,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    54 HID HA 5.27 
 &rst iat= -1, 773, r1= 5.83, r2= 6.33, r3= 6.33, r4= 6.83,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU 1HD2 2HD2 3HD2    55 THR HA 4.21 
 &rst iat= -1, 790, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 137, 138, 139,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  11 LEU CG  55 THR HB 3.69
 &rst iat=  130, 792, r1= 3.19, r2= 3.69,
 r3= 8.09, r4= 8.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 CYS 2HB 3HB    12 CYS H 2.89 
 &rst iat= 143, -1, r1= 2.74, r2= 3.24, r3= 3.24, r4= 3.74,
 igr1= 0,  igr2= 147, 148,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS H  54 HID HA 4.54
 &rst iat=  143, 773, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 CYS H  55 THR H 3.51
 &rst iat=  143, 788, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    12 CYS H 5.29 
 &rst iat= 143, -1, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    12 CYS H 4.58 
 &rst iat= 143, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS 2HB 3HB    12 CYS HA 2.87 
 &rst iat= 145, -1, r1= 2.72, r2= 3.22, r3= 3.22, r4= 3.72,
 igr1= 0,  igr2= 147, 148,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS HA  13 THR H 2.69
 &rst iat=  145, 154, r1= 2.19, r2= 2.69,
 r3= 2.69, r4= 3.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  12 CYS 2HB 3HB    13 THR H 3.13 
 &rst iat= -1, 154, r1= 3.01, r2= 3.51, r3= 3.51, r4= 4.01,
 igr1= 147, 148,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS 2HB 3HB    13 THR HB 5.02 
 &rst iat= -1, 158, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 147, 148,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS 2HB 3HB    14 LEU 1HD1 2HD1 3HD1  4.43
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 147, 148,   igr2= 177, 178, 179,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS 2HB 3HB    55 THR H 4.87 
 &rst iat= -1, 788, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 147, 148,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  12 CYS 2HB 3HB    56 THR 1HG2 2HG2 3HG2  5.47
 &rst iat= -1, -1, r1= 6.87, r2= 7.37, r3= 7.37, r4= 7.87,
 igr1= 147, 148,   igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR H  13 THR HB 3.34
 &rst iat=  154, 158, r1= 2.84, r2= 3.34,
 r3= 3.34, r4= 3.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    13 THR H 4.25 
 &rst iat= 154, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 160, 161, 162,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR H  14 LEU H 4.59
 &rst iat=  154, 168, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR H  54 HID HA 5.10
 &rst iat=  154, 773, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    13 THR HA 3.66 
 &rst iat= 156, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 160, 161, 162,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR HA  14 LEU H 3.07
 &rst iat=  156, 168, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR HA  53 VAL H 3.88
 &rst iat=  156, 755, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR HA  54 HID HA 3.36
 &rst iat=  156, 773, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR HA  55 THR H 4.45
 &rst iat=  156, 788, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR HB  79 GLY H 4.25
 &rst iat=  158, 1148, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    14 LEU H 4.00 
 &rst iat= -1, 168, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    15 GLU H 4.08 
 &rst iat= -1, 187, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    52 LEU HA 4.46 
 &rst iat= -1, 738, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    52 LEU HB3 4.28 
 &rst iat= -1, 741, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    53 VAL H 4.09 
 &rst iat= -1, 755, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    54 HID HD2 4.35 
 &rst iat= -1, 784, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  13 THR 1HG2 2HG2 3HG2    79 GLY H 5.48 
 &rst iat= -1, 1148, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 160, 161, 162,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU H  14 LEU HB2 3.84
 &rst iat=  168, 172, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  14 LEU HG 5.13
 &rst iat=  168, 175, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  15 GLU H 4.75
 &rst iat=  168, 187, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  52 LEU HA 4.60
 &rst iat=  168, 738, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  53 VAL H 3.74
 &rst iat=  168, 755, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  53 VAL HB 4.35
 &rst iat=  168, 759, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU H  54 HID HA 4.14
 &rst iat=  168, 773, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    14 LEU H 4.96 
 &rst iat= 168, -1, r1= 5.46, r2= 5.96, r3= 5.96, r4= 6.46,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HA  14 LEU HG 3.23
 &rst iat=  170, 175, r1= 2.73, r2= 3.23,
 r3= 3.23, r4= 3.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    14 LEU HA 3.55 
 &rst iat= 170, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 177, 178, 179,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HA  15 GLU H 3.05
 &rst iat=  170, 187, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HE1 HE2    14 LEU HA 4.78 
 &rst iat= 170, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 212, 216,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    14 LEU HA 4.44 
 &rst iat= 170, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 MET 1HE 2HE 3HE    14 LEU HA 5.50 
 &rst iat= 170, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    14 LEU HB2 3.81 
 &rst iat= 172, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 177, 178, 179,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HB2  15 GLU H 4.68
 &rst iat=  172, 187, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HE1 HE2    14 LEU HB2 3.73 
 &rst iat= 172, -1, r1= 3.69, r2= 4.19, r3= 4.19, r4= 4.69,
 igr1= 0,  igr2= 212, 216,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HB2  53 VAL H 5.24
 &rst iat=  172, 755, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU HB2  53 VAL HB 3.93
 &rst iat=  172, 759, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    14 LEU HB2 5.00 
 &rst iat= 172, -1, r1= 5.50, r2= 6.00, r3= 6.00, r4= 6.50,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    14 LEU HB3 3.82 
 &rst iat= 173, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 177, 178, 179,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HB3  15 GLU H 4.19
 &rst iat=  173, 187, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HD1 HD2    14 LEU HB3 4.09 
 &rst iat= 173, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 210, 218,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    14 LEU HB3 3.69 
 &rst iat= 173, -1, r1= 3.64, r2= 4.14, r3= 4.14, r4= 4.64,
 igr1= 0,  igr2= 212, 216,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HB3  53 VAL HB 4.66
 &rst iat=  173, 759, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU HG  15 GLU H 5.15
 &rst iat=  175, 187, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    14 LEU HG 4.78 
 &rst iat= 175, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU HG  78 MET HG2 4.60
 &rst iat=  175, 1138, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU HG  78 MET HG3 4.44
 &rst iat=  175, 1139, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    15 GLU H 4.54 
 &rst iat= -1, 187, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 177, 178, 179,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    16 PHE HE1 HE2  4.98
 &rst iat= -1, -1, r1= 6.21, r2= 6.71, r3= 6.71, r4= 7.21,
 igr1= 177, 178, 179,   igr2= 212, 216,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    59 SER H 4.53 
 &rst iat= -1, 849, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 177, 178, 179,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    75 LEU 1HD2 2HD2 3HD2  3.59
 &rst iat= -1, -1, r1= 4.68, r2= 5.18, r3= 5.18, r4= 5.68,
 igr1= 177, 178, 179,   igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    78 MET HG2 3.87 
 &rst iat= -1, 1138, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 177, 178, 179,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    78 MET HG3 4.19 
 &rst iat= -1, 1139, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 177, 178, 179,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    78 MET 1HE 2HE 3HE  3.67
 &rst iat= -1, -1, r1= 4.79, r2= 5.29, r3= 5.29, r4= 5.79,
 igr1= 177, 178, 179,   igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  14 LEU 1HD1 2HD1 3HD1    79 GLY H 5.26 
 &rst iat= -1, 1148, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 177, 178, 179,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU H  15 GLU HG2 4.28
 &rst iat=  187, 194, r1= 3.78, r2= 4.28,
 r3= 4.28, r4= 4.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU H  15 GLU HG3 4.54
 &rst iat=  187, 195, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU 2HB 3HB    15 GLU H 3.29 
 &rst iat= 187, -1, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 0,  igr2= 191, 192,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    15 GLU H 4.05 
 &rst iat= 187, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU H  77 GLY H 4.37
 &rst iat=  187, 1124, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  15 GLU HG2 4.12
 &rst iat=  189, 194, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  15 GLU HG3 4.00
 &rst iat=  189, 195, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  16 PHE H 3.12
 &rst iat=  189, 202, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HD1 HD2    15 GLU HA 4.33 
 &rst iat= 189, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 210, 218,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU HA  52 LEU HA 3.52
 &rst iat=  189, 738, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  52 LEU HG 5.25
 &rst iat=  189, 743, r1= 4.75, r2= 5.25,
 r3= 5.25, r4= 5.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  52 LEU CG 4.04
 &rst iat=  189, 742, r1= 3.54, r2= 4.04,
 r3= 8.44, r4= 8.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HA  53 VAL H 4.52
 &rst iat=  189, 755, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HG2  16 PHE H 4.57
 &rst iat=  194, 202, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HG2  52 LEU CG 4.40
 &rst iat=  194, 742, r1= 3.90, r2= 4.40,
 r3= 8.80, r4= 9.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HG3  52 LEU HA 5.50
 &rst iat=  195, 738, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU HG3  52 LEU CG 3.63
 &rst iat=  195, 742, r1= 3.13, r2= 3.63,
 r3= 8.03, r4= 8.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  15 GLU 2HB 3HB    16 PHE H 3.77 
 &rst iat= -1, 202, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    16 PHE HA 5.39 
 &rst iat= -1, 204, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    50 MET HG2 5.09 
 &rst iat= -1, 710, r1= 5.21, r2= 5.71, r3= 5.71, r4= 6.21,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    52 LEU CG 3.67 
 &rst iat= -1, 742, r1= 3.62, r2= 4.12, r3= 8.52, r4= 9.02,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    77 GLY H 3.86 
 &rst iat= -1, 1124, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    77 GLY 2HA 3HA  4.81
 &rst iat= -1, -1, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 191, 192,   igr2= 1126, 1127,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    78 MET H 5.24 
 &rst iat= -1, 1131, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  15 GLU 2HB 3HB    78 MET HA 4.67 
 &rst iat= -1, 1133, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 191, 192,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE H  16 PHE HB2 3.78
 &rst iat=  202, 206, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE H  16 PHE HB3 3.93
 &rst iat=  202, 207, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HD1 HD2    16 PHE H 3.60 
 &rst iat= 202, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 210, 218,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    16 PHE HA 3.59 
 &rst iat= 204, -1, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 0,  igr2= 210, 218,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    16 PHE HA 5.04 
 &rst iat= 204, -1, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 0,  igr2= 212, 216,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HA  17 ALA H 2.99
 &rst iat=  204, 222, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HA  17 ALA HA 5.28
 &rst iat=  204, 224, r1= 4.78, r2= 5.28,
 r3= 5.28, r4= 5.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    16 PHE HA 3.98 
 &rst iat= 204, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 226, 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    16 PHE HA 5.36 
 &rst iat= 204, -1, r1= 5.94, r2= 6.44, r3= 6.44, r4= 6.94,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HA  74 VAL H 5.07
 &rst iat=  204, 1067, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HA  75 LEU HA 3.53
 &rst iat=  204, 1085, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    16 PHE HA 4.53 
 &rst iat= 204, -1, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HA  76 LYS H 3.63
 &rst iat=  204, 1102, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HA  76 LYS HA 5.29
 &rst iat=  204, 1104, r1= 4.79, r2= 5.29,
 r3= 5.29, r4= 5.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HB2  17 ALA H 4.66
 &rst iat=  206, 222, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    16 PHE HB2 3.82 
 &rst iat= 206, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HB2  51 VAL HB 4.08
 &rst iat=  206, 724, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    16 PHE HB2 4.90 
 &rst iat= 206, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    16 PHE HB2 4.69 
 &rst iat= 206, -1, r1= 5.13, r2= 5.63, r3= 5.63, r4= 6.13,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HB3  17 ALA H 3.95
 &rst iat=  207, 222, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HB3  18 VAL H 5.50
 &rst iat=  207, 232, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    16 PHE HB3 3.84 
 &rst iat= 207, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HB3  51 VAL HB 4.25
 &rst iat=  207, 724, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    16 PHE HB3 4.59 
 &rst iat= 207, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HB3  73 ALA HA 4.75
 &rst iat=  207, 1059, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HB3  74 VAL H 4.95
 &rst iat=  207, 1067, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  16 PHE HB3  75 LEU HA 4.45
 &rst iat=  207, 1085, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    16 PHE HB3 5.15 
 &rst iat= 207, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    17 ALA H 3.89 
 &rst iat= -1, 222, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    17 ALA 1HB 2HB 3HB  5.50
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 210, 218,   igr2= 226, 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    18 VAL 1HG1 2HG1 3HG1  4.33
 &rst iat= -1, -1, r1= 5.34, r2= 5.84, r3= 5.84, r4= 6.34,
 igr1= 210, 218,   igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    51 VAL 1HG1 2HG1 3HG1  5.50
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 210, 218,   igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    52 LEU HA 5.33 
 &rst iat= -1, 738, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    62 VAL 1HG1 2HG1 3HG1  3.92
 &rst iat= -1, -1, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 210, 218,   igr2= 898, 899, 900,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    63 GLN HA 4.79 
 &rst iat= -1, 910, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    63 GLN 2HG 3HG  4.36
 &rst iat= -1, -1, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 210, 218,   igr2= 915, 916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    66 LEU 1HD1 2HD1 3HD1  3.81
 &rst iat= -1, -1, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 210, 218,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    73 ALA HA 4.37 
 &rst iat= -1, 1059, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    73 ALA 1HB 2HB 3HB  3.65
 &rst iat= -1, -1, r1= 4.42, r2= 4.92, r3= 4.92, r4= 5.42,
 igr1= 210, 218,   igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    74 VAL H 4.14 
 &rst iat= -1, 1067, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU H 4.19 
 &rst iat= -1, 1083, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU HA 3.76 
 &rst iat= -1, 1085, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU HB2 5.37 
 &rst iat= -1, 1087, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU HB3 4.27 
 &rst iat= -1, 1088, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU HG 5.27 
 &rst iat= -1, 1090, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    75 LEU 1HD2 2HD2 3HD2  4.11
 &rst iat= -1, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 210, 218,   igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HD1 HD2    76 LYS H 4.41 
 &rst iat= -1, 1102, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 210, 218,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    62 VAL HB 4.09 
 &rst iat= -1, 896, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    62 VAL 1HG1 2HG1 3HG1  3.54
 &rst iat= -1, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 212, 216,   igr2= 898, 899, 900,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    63 GLN H 4.34 
 &rst iat= -1, 908, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    63 GLN HA 3.98 
 &rst iat= -1, 910, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    63 GLN HB2 3.74 
 &rst iat= -1, 912, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    63 GLN HB3 3.85 
 &rst iat= -1, 913, r1= 3.82, r2= 4.32, r3= 4.32, r4= 4.82,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    63 GLN 2HG 3HG  3.61
 &rst iat= -1, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 212, 216,   igr2= 915, 916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    66 LEU 1HD1 2HD1 3HD1  4.31
 &rst iat= -1, -1, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 212, 216,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    73 ALA 1HB 2HB 3HB  4.47
 &rst iat= -1, -1, r1= 5.53, r2= 6.03, r3= 6.03, r4= 6.53,
 igr1= 212, 216,   igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU H 4.51 
 &rst iat= -1, 1083, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU HA 4.45 
 &rst iat= -1, 1085, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU HB2 3.82 
 &rst iat= -1, 1087, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU HB3 3.92 
 &rst iat= -1, 1088, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU HG 5.04 
 &rst iat= -1, 1090, r1= 5.16, r2= 5.66, r3= 5.66, r4= 6.16,
 igr1= 212, 216,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  16 PHE HE1 HE2    75 LEU 1HD2 2HD2 3HD2  3.97
 &rst iat= -1, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 212, 216,   igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    17 ALA H 3.26 
 &rst iat= 222, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 226, 227, 228,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA H  18 VAL H 4.74
 &rst iat=  222, 232, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    17 ALA H 5.50 
 &rst iat= 222, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    17 ALA H 5.20 
 &rst iat= 222, -1, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA H  74 VAL H 4.41
 &rst iat=  222, 1067, r1= 3.91, r2= 4.41,
 r3= 4.41, r4= 4.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA H  74 VAL HB 4.46
 &rst iat=  222, 1071, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG1 2HG1 3HG1    17 ALA H 4.24 
 &rst iat= 222, -1, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 0,  igr2= 1073, 1074, 1075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    17 ALA H 5.50 
 &rst iat= 222, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA H  75 LEU HA 4.11
 &rst iat=  222, 1085, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    17 ALA H 5.80 
 &rst iat= 222, -1, r1= 6.47, r2= 6.97, r3= 6.97, r4= 7.47,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA H  76 LYS H 4.45
 &rst iat=  222, 1102, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HD 3HD    17 ALA H 4.47 
 &rst iat= 222, -1, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 0,  igr2= 1112, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    17 ALA H 4.46 
 &rst iat= 222, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA HA  18 VAL H 2.84
 &rst iat=  224, 232, r1= 2.34, r2= 2.84,
 r3= 2.84, r4= 3.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA HA  49 GLN HB2 4.85
 &rst iat=  224, 690, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA HA  50 MET HA 3.38
 &rst iat=  224, 705, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA HA  50 MET HG3 5.08
 &rst iat=  224, 711, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    17 ALA HA 4.44 
 &rst iat= 224, -1, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    17 ALA HA 4.42 
 &rst iat= 224, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA HA  51 VAL H 4.13
 &rst iat=  224, 720, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    18 VAL H 3.58 
 &rst iat= -1, 232, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    49 GLN HB2 4.46 
 &rst iat= -1, 690, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    50 MET HA 4.41 
 &rst iat= -1, 705, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    74 VAL H 3.95 
 &rst iat= -1, 1067, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    74 VAL HB 3.41 
 &rst iat= -1, 1071, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    74 VAL 1HG2 2HG2 3HG2  4.07
 &rst iat= -1, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 226, 227, 228,   igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    76 LYS H 4.65 
 &rst iat= -1, 1102, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 226, 227, 228,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    76 LYS 2HE 3HE  4.09
 &rst iat= -1, -1, r1= 5.01, r2= 5.51, r3= 5.51, r4= 6.01,
 igr1= 226, 227, 228,   igr2= 1115, 1116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  17 ALA 1HB 2HB 3HB    76 LYS 2HG 3HG  3.80
 &rst iat= -1, -1, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 226, 227, 228,   igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL H  18 VAL HB 3.85
 &rst iat=  232, 236, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    18 VAL H 4.08 
 &rst iat= 232, -1, r1= 4.40, r2= 4.90, r3= 4.90, r4= 5.40,
 igr1= 0,  igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    29 VAL H 4.83 
 &rst iat= 382, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 276, 277, 278,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL H  49 GLN HA 4.60
 &rst iat=  232, 688, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL H  49 GLN HB2 4.48
 &rst iat=  232, 690, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL H  49 GLN HB3 4.75
 &rst iat=  232, 691, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL H  50 MET HA 3.65
 &rst iat=  232, 705, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL H  51 VAL H 4.98
 &rst iat=  232, 720, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    18 VAL HA 3.91 
 &rst iat= 234, -1, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 0,  igr2= 238, 239, 240,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    18 VAL HA 3.80 
 &rst iat= 234, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 242, 243, 244,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL HA  19 GLN H 3.12
 &rst iat=  234, 248, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET 2HG 3HG    18 VAL HA 5.03 
 &rst iat= 234, -1, r1= 5.15, r2= 5.65, r3= 5.65, r4= 6.15,
 igr1= 0,  igr2= 272, 273,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL HA  73 ALA HA 3.46
 &rst iat=  234, 1059, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  18 VAL HA  74 VAL H 4.78
 &rst iat=  234, 1067, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    18 VAL HB 3.64 
 &rst iat= 236, -1, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 0,  igr2= 276, 277, 278,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    19 GLN H 4.68 
 &rst iat= -1, 248, r1= 5.12, r2= 5.62, r3= 5.62, r4= 6.12,
 igr1= 238, 239, 240,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    51 VAL H 4.25 
 &rst iat= -1, 720, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 238, 239, 240,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    51 VAL HB 3.61 
 &rst iat= -1, 724, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 238, 239, 240,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    73 ALA HA 3.59 
 &rst iat= -1, 1059, r1= 3.81, r2= 4.31, r3= 4.31, r4= 4.81,
 igr1= 238, 239, 240,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG1 2HG1 3HG1    73 ALA 1HB 2HB 3HB  3.60
 &rst iat= -1, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 238, 239, 240,   igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    19 GLN H 4.22 
 &rst iat= -1, 248, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 242, 243, 244,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    20 MET 2HG 3HG  3.29
 &rst iat= -1, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 242, 243, 244,   igr2= 272, 273,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    71 ARG HD2 5.09 
 &rst iat= -1, 1026, r1= 5.61, r2= 6.11, r3= 6.11, r4= 6.61,
 igr1= 242, 243, 244,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    71 ARG HD3 5.03 
 &rst iat= -1, 1027, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 242, 243, 244,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  18 VAL 1HG2 2HG2 3HG2    73 ALA HA 4.53 
 &rst iat= -1, 1059, r1= 4.94, r2= 5.44, r3= 5.44, r4= 5.94,
 igr1= 242, 243, 244,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 GLN H  19 GLN HG2 5.01
 &rst iat=  248, 255, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN H  19 GLN HG3 4.59
 &rst iat=  248, 256, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN 2HB 3HB    19 GLN H 3.42 
 &rst iat= 248, -1, r1= 3.34, r2= 3.84, r3= 3.84, r4= 4.34,
 igr1= 0,  igr2= 252, 253,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 GLN H  20 MET H 5.20
 &rst iat=  248, 265, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN H  73 ALA HA 4.57
 &rst iat=  248, 1059, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN HA  19 GLN HG3 4.05
 &rst iat=  250, 256, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN HA  20 MET H 3.05
 &rst iat=  250, 265, r1= 2.55, r2= 3.05,
 r3= 3.05, r4= 3.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN HA  20 MET HB3 5.37
 &rst iat=  250, 270, r1= 4.87, r2= 5.37,
 r3= 5.37, r4= 5.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN H  72 GLN HB2 4.95
 &rst iat=  248, 1044, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN H  71 ARG HB2 4.80
 &rst iat=  248, 1020, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN H  71 ARG HG2 5.39
 &rst iat=  248, 1023, r1= 4.89, r2= 5.39,
 r3= 5.39, r4= 5.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  19 GLN 2HB 3HB    19 GLN HG3 3.01 
 &rst iat= -1, 256, r1= 2.88, r2= 3.38, r3= 3.38, r4= 3.88,
 igr1= 252, 253,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  19 GLN 2HB 3HB    20 MET H 5.11 
 &rst iat= -1, 265, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 252, 253,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    20 MET H 4.27 
 &rst iat= 265, -1, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 0,  igr2= 276, 277, 278,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 2HG 3HG    20 MET H 4.76 
 &rst iat= 265, -1, r1= 4.84, r2= 5.34, r3= 5.34, r4= 5.84,
 igr1= 0,  igr2= 272, 273,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET H  49 GLN HB2 4.96
 &rst iat=  265, 690, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET HB2  21 THR HA 4.75
 &rst iat=  269, 284, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET HB2  22 CYG H 4.68
 &rst iat=  269, 296, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET HB2  25 CYG HA 5.50
 &rst iat=  269, 336, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    20 MET HB2 3.97 
 &rst iat= 269, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET HB3  21 THR H 5.24
 &rst iat=  270, 282, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    29 VAL HB 4.16 
 &rst iat= -1, 386, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    29 VAL 1HG1 2HG1 3HG1  3.42
 &rst iat= -1, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 276, 277, 278,   igr2= 388, 389, 390,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    44 VAL HA 4.06 
 &rst iat= -1, 609, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    44 VAL 1HG1 2HG1 3HG1  3.51
 &rst iat= -1, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 276, 277, 278,   igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    46 LEU HA 3.42 
 &rst iat= -1, 642, r1= 3.61, r2= 4.11, r3= 4.11, r4= 4.61,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    46 LEU 1HD2 2HD2 3HD2  3.89
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 276, 277, 278,   igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    49 GLN HA 3.32 
 &rst iat= -1, 688, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    49 GLN HA 4.01 
 &rst iat= -1, 688, r1= 4.32, r2= 4.82, r3= 4.82, r4= 5.32,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    50 MET HA 4.91 
 &rst iat= -1, 705, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 276, 277, 278,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 1HE 2HE 3HE    51 VAL 1HG1 2HG1 3HG1  3.46
 &rst iat= -1, -1, r1= 4.49, r2= 4.99, r3= 4.99, r4= 5.49,
 igr1= 276, 277, 278,   igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 2HG 3HG    20 MET 1HE 2HE 3HE  2.98
 &rst iat= -1, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 272, 273,   igr2= 276, 277, 278,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  20 MET 2HG 3HG    20 MET 1HE 2HE 3HE  3.41
 &rst iat= -1, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 272, 273,   igr2= 276, 277, 278,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR H  21 THR HB 3.98
 &rst iat=  282, 286, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 THR 1HG2 2HG2 3HG2    21 THR H 3.96 
 &rst iat= 282, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 288, 289, 290,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR H  22 CYG H 3.79
 &rst iat=  282, 296, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    21 THR H 5.34 
 &rst iat= 282, -1, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR 1HG2 2HG2 3HG2    21 THR HA 3.46 
 &rst iat= 284, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 288, 289, 290,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR HA  22 CYG H 3.52
 &rst iat=  284, 296, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    21 THR HA 4.61 
 &rst iat= 284, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR HB  22 CYG H 4.40
 &rst iat=  286, 296, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  21 THR 1HG2 2HG2 3HG2    22 CYG H 4.85 
 &rst iat= -1, 296, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 288, 289, 290,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR 1HG2 2HG2 3HG2    49 GLN HG2 5.06 
 &rst iat= -1, 693, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 288, 289, 290,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  21 THR 1HG2 2HG2 3HG2    49 GLN HG3 5.42 
 &rst iat= -1, 694, r1= 6.01, r2= 6.51, r3= 6.51, r4= 7.01,
 igr1= 288, 289, 290,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  22 CYG H  26 VAL H 4.93
 &rst iat=  296, 344, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    22 CYG H 5.44 
 &rst iat= 296, -1, r1= 6.03, r2= 6.53, r3= 6.53, r4= 7.03,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    22 CYG H 5.63 
 &rst iat= 296, -1, r1= 6.26, r2= 6.76, r3= 6.76, r4= 7.26,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    22 CYG HA 4.44 
 &rst iat= 298, -1, r1= 4.83, r2= 5.33, r3= 5.33, r4= 5.83,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    22 CYG HA 5.11 
 &rst iat= 298, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN H  23 GLN HB3 3.88
 &rst iat=  306, 311, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN 2HG 3HG    23 GLN H 4.77 
 &rst iat= 306, -1, r1= 4.85, r2= 5.35, r3= 5.35, r4= 5.85,
 igr1= 0,  igr2= 313, 314,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN HA  23 GLN HE21 5.57
 &rst iat=  308, 318, r1= 5.07, r2= 5.57,
 r3= 5.57, r4= 6.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN 2HG 3HG    23 GLN HA 3.55 
 &rst iat= 308, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 313, 314,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN HA  25 CYG H 4.49
 &rst iat=  308, 334, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN HA  26 VAL H 3.98
 &rst iat=  308, 344, r1= 3.48, r2= 3.98,
 r3= 3.98, r4= 4.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN HA  26 VAL HB 3.60
 &rst iat=  308, 348, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    23 GLN HA 3.98 
 &rst iat= 308, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 350, 351, 352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN HB2  23 GLN HE21 5.08
 &rst iat=  310, 318, r1= 4.58, r2= 5.08,
 r3= 5.08, r4= 5.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN 2HG 3HG    23 GLN HB2 2.67 
 &rst iat= 310, -1, r1= 2.50, r2= 3.00, r3= 3.00, r4= 3.50,
 igr1= 0,  igr2= 313, 314,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN HB3  23 GLN HE21 4.83
 &rst iat=  311, 318, r1= 4.33, r2= 4.83,
 r3= 4.83, r4= 5.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  23 GLN HB3  24 SER H 4.88
 &rst iat=  311, 323, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    23 GLN HE21 5.13 
 &rst iat= 318, -1, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 0,  igr2= 354, 355, 356,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    23 GLN HE21 5.50 
 &rst iat= 318, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN HE22  26 VAL HB 5.41
 &rst iat=  319, 348, r1= 4.91, r2= 5.41,
 r3= 5.41, r4= 5.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    23 GLN HE22 4.78 
 &rst iat= 319, -1, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 0,  igr2= 354, 355, 356,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN 2HG 3HG    23 GLN HE21 3.21 
 &rst iat= -1, 318, r1= 3.10, r2= 3.60, r3= 3.60, r4= 4.10,
 igr1= 313, 314,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  23 GLN 2HG 3HG    23 GLN HE22 3.61 
 &rst iat= -1, 319, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 313, 314,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  24 SER H  25 CYG H 3.40
 &rst iat=  323, 334, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  24 SER H  26 VAL H 5.13
 &rst iat=  323, 344, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 CYG H  26 VAL H 3.41
 &rst iat=  334, 344, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 CYG H  26 VAL HB 4.82
 &rst iat=  334, 348, r1= 4.32, r2= 4.82,
 r3= 4.82, r4= 5.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 CYG H  27 ASP H 4.98
 &rst iat=  334, 360, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 CYG HA  71 ARG HE 4.90
 &rst iat=  336, 1029, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  25 CYG HA  28 ALA H 3.86
 &rst iat=  336, 372, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    25 CYG HA 3.32 
 &rst iat= 336, -1, r1= 3.49, r2= 3.99, r3= 3.99, r4= 4.49,
 igr1= 0,  igr2= 376, 377, 378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL H  26 VAL HB 3.86
 &rst iat=  344, 348, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    26 VAL H 3.55 
 &rst iat= 344, -1, r1= 3.76, r2= 4.26, r3= 4.26, r4= 4.76,
 igr1= 0,  igr2= 350, 351, 352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    26 VAL H 3.99 
 &rst iat= 344, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 354, 355, 356,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL H  27 ASP H 3.71
 &rst iat=  344, 360, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    26 VAL HA 3.36 
 &rst iat= 346, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 350, 351, 352,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    26 VAL HA 3.26 
 &rst iat= 346, -1, r1= 3.42, r2= 3.92, r3= 3.92, r4= 4.42,
 igr1= 0,  igr2= 354, 355, 356,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL HA  29 VAL H 4.22
 &rst iat=  346, 382, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL HA  29 VAL HB 3.63
 &rst iat=  346, 386, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL 1HG2 2HG2 3HG2    26 VAL HA 4.75 
 &rst iat= 346, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 0,  igr2= 392, 393, 394,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL HA  44 VAL HB 4.93
 &rst iat=  346, 611, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    26 VAL HA 4.48 
 &rst iat= 346, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    26 VAL HA 5.26 
 &rst iat= 346, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL HB  27 ASP H 2.99
 &rst iat=  348, 360, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    27 ASP H 4.28 
 &rst iat= -1, 360, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    28 ALA H 5.50 
 &rst iat= -1, 372, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    44 VAL HB 5.33 
 &rst iat= -1, 611, r1= 5.90, r2= 6.40, r3= 6.40, r4= 6.90,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    45 HID HA 4.88 
 &rst iat= -1, 625, r1= 5.36, r2= 5.86, r3= 5.86, r4= 6.36,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU H 4.58 
 &rst iat= -1, 640, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU HA 4.52 
 &rst iat= -1, 642, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU HB2 4.54 
 &rst iat= -1, 644, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU HB3 3.71 
 &rst iat= -1, 645, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 350, 351, 352,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU 1HD1 2HD1 3HD1  4.26
 &rst iat= -1, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 350, 351, 352,   igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG1 2HG1 3HG1    46 LEU 1HD2 2HD2 3HD2  3.21
 &rst iat= -1, -1, r1= 4.13, r2= 4.63, r3= 4.63, r4= 5.13,
 igr1= 350, 351, 352,   igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    27 ASP H 4.28 
 &rst iat= -1, 360, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 354, 355, 356,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    30 ARG 2HD 3HD  4.55
 &rst iat= -1, -1, r1= 5.63, r2= 6.13, r3= 6.13, r4= 6.63,
 igr1= 354, 355, 356,   igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ASP H  27 ASP HB2 3.40
 &rst iat=  360, 364, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP H  27 ASP HB3 3.52
 &rst iat=  360, 365, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP H  28 ALA H 3.79
 &rst iat=  360, 372, r1= 3.29, r2= 3.79,
 r3= 3.79, r4= 4.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    27 ASP H 4.95 
 &rst iat= 360, -1, r1= 5.44, r2= 5.94, r3= 5.94, r4= 6.44,
 igr1= 0,  igr2= 376, 377, 378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ASP HA  27 ASP HB3 3.02
 &rst iat=  362, 365, r1= 2.52, r2= 3.02,
 r3= 3.02, r4= 3.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HA  29 VAL H 5.11
 &rst iat=  362, 382, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HA  30 ARG H 4.03
 &rst iat=  362, 398, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HA  30 ARG HG3 4.51
 &rst iat=  362, 406, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG 2HB 3HB    27 ASP HA 3.29 
 &rst iat= 362, -1, r1= 3.19, r2= 3.69, r3= 3.69, r4= 4.19,
 igr1= 0,  igr2= 402, 403,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    27 ASP HA 4.06 
 &rst iat= 362, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ASP HA  31 LYS H 4.77
 &rst iat=  362, 422, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HB2  28 ALA H 3.68
 &rst iat=  364, 372, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    27 ASP HB2 4.98 
 &rst iat= 364, -1, r1= 5.48, r2= 5.98, r3= 5.98, r4= 6.48,
 igr1= 0,  igr2= 376, 377, 378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  27 ASP HB3  28 ALA H 3.65
 &rst iat=  365, 372, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  27 ASP HB3  28 ALA HA 4.44
 &rst iat=  365, 374, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    27 ASP HB3 5.12 
 &rst iat= 365, -1, r1= 5.65, r2= 6.15, r3= 6.15, r4= 6.65,
 igr1= 0,  igr2= 376, 377, 378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HB 3HB    27 ASP HB3 5.06 
 &rst iat= 365, -1, r1= 5.18, r2= 5.68, r3= 5.68, r4= 6.18,
 igr1= 0,  igr2= 402, 403,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    28 ALA H 3.16 
 &rst iat= 372, -1, r1= 3.29, r2= 3.79, r3= 3.79, r4= 4.29,
 igr1= 0,  igr2= 376, 377, 378,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA H  29 VAL H 3.55
 &rst iat=  372, 382, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA H  29 VAL HA 5.22
 &rst iat=  372, 384, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA H  29 VAL HB 5.11
 &rst iat=  372, 386, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  26 VAL 1HG2 2HG2 3HG2    28 ALA H 4.75 
 &rst iat= 372, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 0,  igr2= 354, 355, 356,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA H  30 ARG H 4.81
 &rst iat=  372, 398, r1= 4.31, r2= 4.81,
 r3= 4.81, r4= 5.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG 2HB 3HB    28 ALA H 4.96 
 &rst iat= 372, -1, r1= 5.07, r2= 5.57, r3= 5.57, r4= 6.07,
 igr1= 0,  igr2= 402, 403,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA H  31 LYS H 5.20
 &rst iat=  372, 422, r1= 4.70, r2= 5.20,
 r3= 5.20, r4= 5.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA HA  29 VAL HA 4.76
 &rst iat=  374, 384, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA HA  31 LYS H 3.65
 &rst iat=  374, 422, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 2HB 3HB    28 ALA HA 3.22 
 &rst iat= 374, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA HA  32 SER H 4.57
 &rst iat=  374, 444, r1= 4.07, r2= 4.57,
 r3= 4.57, r4= 5.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    29 VAL H 3.64 
 &rst iat= -1, 382, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    29 VAL HA 4.35 
 &rst iat= -1, 384, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    29 VAL HB 5.04 
 &rst iat= -1, 386, r1= 5.55, r2= 6.05, r3= 6.05, r4= 6.55,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    29 VAL 1HG1 2HG1 3HG1  4.99
 &rst iat= -1, -1, r1= 6.70, r2= 7.20, r3= 7.20, r4= 7.70,
 igr1= 376, 377, 378,   igr2= 388, 389, 390,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    30 ARG H 5.08 
 &rst iat= -1, 398, r1= 5.60, r2= 6.10, r3= 6.10, r4= 6.60,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    31 LYS H 4.61 
 &rst iat= -1, 422, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    69 THR HA 5.39 
 &rst iat= -1, 997, r1= 5.97, r2= 6.47, r3= 6.47, r4= 6.97,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    69 THR HB 4.09 
 &rst iat= -1, 999, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 376, 377, 378,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  28 ALA 1HB 2HB 3HB    69 THR 1HG2 2HG2 3HG2  4.24
 &rst iat= -1, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 376, 377, 378,   igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL H  29 VAL HB 3.30
 &rst iat=  382, 386, r1= 2.80, r2= 3.30,
 r3= 3.30, r4= 3.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    29 VAL H 3.66 
 &rst iat= 382, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 388, 389, 390,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG2 2HG2 3HG2    29 VAL H 4.16 
 &rst iat= 382, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 392, 393, 394,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL H  30 ARG H 3.85
 &rst iat=  382, 398, r1= 3.35, r2= 3.85,
 r3= 3.85, r4= 4.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL H  31 LYS H 5.19
 &rst iat=  382, 422, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    29 VAL HA 3.29 
 &rst iat= 384, -1, r1= 3.45, r2= 3.95, r3= 3.95, r4= 4.45,
 igr1= 0,  igr2= 388, 389, 390,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG2 2HG2 3HG2    29 VAL HA 3.31 
 &rst iat= 384, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 392, 393, 394,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL HA  32 SER H 4.15
 &rst iat=  384, 444, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL HA  32 SER HB3 3.29
 &rst iat=  384, 449, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  29 VAL HA  33 LEU HG 4.62
 &rst iat=  384, 462, r1= 4.12, r2= 4.62,
 r3= 4.62, r4= 5.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    29 VAL HA 4.85 
 &rst iat= 384, -1, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 0,  igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL HA  69 THR HB 4.68
 &rst iat=  384, 999, r1= 4.18, r2= 4.68,
 r3= 4.68, r4= 5.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    29 VAL HA 3.80 
 &rst iat= 384, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL HB  30 ARG H 3.72
 &rst iat=  386, 398, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    29 VAL HB 4.66 
 &rst iat= 386, -1, r1= 5.10, r2= 5.60, r3= 5.60, r4= 6.10,
 igr1= 0,  igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    30 ARG H 4.52 
 &rst iat= -1, 398, r1= 4.93, r2= 5.43, r3= 5.43, r4= 5.93,
 igr1= 388, 389, 390,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    69 THR HB 3.39 
 &rst iat= -1, 999, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 388, 389, 390,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    69 THR 1HG2 2HG2 3HG2  3.89
 &rst iat= -1, -1, r1= 5.11, r2= 5.61, r3= 5.61, r4= 6.11,
 igr1= 388, 389, 390,   igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    71 ARG HD2 5.06 
 &rst iat= -1, 1026, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 388, 389, 390,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG1 2HG1 3HG1    71 ARG HD3 5.01 
 &rst iat= -1, 1027, r1= 5.52, r2= 6.02, r3= 6.02, r4= 6.52,
 igr1= 388, 389, 390,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG2 2HG2 3HG2    30 ARG H 4.43 
 &rst iat= -1, 398, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 392, 393, 394,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD2 2HD2 3HD2    30 ARG HA 4.50 
 &rst iat= -1, 400, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 468, 469, 470,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  29 VAL 1HG2 2HG2 3HG2    32 SER H 5.31 
 &rst iat= -1, 444, r1= 5.88, r2= 6.38, r3= 6.38, r4= 6.88,
 igr1= 392, 393, 394,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG H  30 ARG HG3 4.04
 &rst iat=  398, 406, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG 2HB 3HB    30 ARG H 3.31 
 &rst iat= 398, -1, r1= 3.22, r2= 3.72, r3= 3.72, r4= 4.22,
 igr1= 0,  igr2= 402, 403,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    30 ARG H 5.14 
 &rst iat= 398, -1, r1= 5.27, r2= 5.77, r3= 5.77, r4= 6.27,
 igr1= 0,  igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG H  31 LYS H 4.13
 &rst iat=  398, 422, r1= 3.63, r2= 4.13,
 r3= 4.13, r4= 4.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG H  31 LYS HG3 4.55
 &rst iat=  398, 430, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG H  32 SER H 5.47
 &rst iat=  398, 444, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    30 ARG H 5.01 
 &rst iat= 398, -1, r1= 5.52, r2= 6.02, r3= 6.02, r4= 6.52,
 igr1= 0,  igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG HA  30 ARG HG2 3.10
 &rst iat=  400, 405, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG HA  30 ARG HG3 3.78
 &rst iat=  400, 406, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG 2HD 3HD    30 ARG HA 4.24 
 &rst iat= 400, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG HA  31 LYS HA 5.09
 &rst iat=  400, 424, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG HA  33 LEU H 4.18
 &rst iat=  400, 455, r1= 3.68, r2= 4.18,
 r3= 4.18, r4= 4.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  30 ARG HA  33 LEU HG 4.31
 &rst iat=  400, 462, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 2HB 3HB    30 ARG HA 4.27 
 &rst iat= 400, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 459, 460,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    30 ARG HA 4.49 
 &rst iat= 400, -1, r1= 4.89, r2= 5.39, r3= 5.39, r4= 5.89,
 igr1= 0,  igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG HA  34 GLN H 4.63
 &rst iat=  400, 474, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    30 ARG HA 3.62 
 &rst iat= 400, -1, r1= 3.85, r2= 4.35, r3= 4.35, r4= 4.85,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG HA  44 VAL HB 5.22
 &rst iat=  400, 611, r1= 4.72, r2= 5.22,
 r3= 5.22, r4= 5.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG1 2HG1 3HG1    30 ARG HA 5.25 
 &rst iat= 400, -1, r1= 5.80, r2= 6.30, r3= 6.30, r4= 6.80,
 igr1= 0,  igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL 1HG1 2HG1 3HG1    30 ARG HE 3.52 
 &rst iat= 411, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    30 ARG HG2 3.00 
 &rst iat= 405, -1, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 0,  igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HB 3HB    30 ARG 2HD 3HD  3.40
 &rst iat= -1, -1, r1= 3.78, r2= 4.28, r3= 4.28, r4= 4.78,
 igr1= 402, 403,   igr2= 408, 409,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HB 3HB    31 LYS H 3.71 
 &rst iat= -1, 422, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 402, 403,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HB 3HB    31 LYS HG3 3.86 
 &rst iat= -1, 430, r1= 3.83, r2= 4.33, r3= 4.33, r4= 4.83,
 igr1= 402, 403,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HB 3HB    31 LYS 2HE 3HE  3.65
 &rst iat= -1, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 402, 403,   igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    34 GLN HE22 5.15 
 &rst iat= -1, 487, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 408, 409,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    44 VAL 1HG1 2HG1 3HG1  3.72
 &rst iat= -1, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 408, 409,   igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  30 ARG 2HD 3HD    44 VAL 1HG2 2HG2 3HG2  4.79
 &rst iat= -1, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 408, 409,   igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  31 LYS HG2 4.04
 &rst iat=  422, 429, r1= 3.54, r2= 4.04,
 r3= 4.04, r4= 4.54,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 2HB 3HB    31 LYS H 2.78 
 &rst iat= 422, -1, r1= 2.62, r2= 3.12, r3= 3.12, r4= 3.62,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HD 3HD    31 LYS H 4.30 
 &rst iat= 422, -1, r1= 4.33, r2= 4.83, r3= 4.83, r4= 5.33,
 igr1= 0,  igr2= 432, 433,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS H  32 SER H 3.35
 &rst iat=  422, 444, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS H  33 LEU H 4.77
 &rst iat=  422, 455, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS HA  31 LYS HG3 3.68
 &rst iat=  424, 430, r1= 3.18, r2= 3.68,
 r3= 3.68, r4= 4.18,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 2HB 3HB    31 LYS HA 2.87 
 &rst iat= 424, -1, r1= 2.72, r2= 3.22, r3= 3.22, r4= 3.72,
 igr1= 0,  igr2= 426, 427,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HD 3HD    31 LYS HA 3.99 
 &rst iat= 424, -1, r1= 3.98, r2= 4.48, r3= 4.48, r4= 4.98,
 igr1= 0,  igr2= 432, 433,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HE 3HE    31 LYS HA 3.90 
 &rst iat= 424, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS HA  33 LEU H 4.51
 &rst iat=  424, 455, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS HA  34 GLN H 3.55
 &rst iat=  424, 474, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS HA  34 GLN HB3 3.56
 &rst iat=  424, 479, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  31 LYS 2HE 3HE    31 LYS HG2 3.61 
 &rst iat= 429, -1, r1= 3.55, r2= 4.05, r3= 4.05, r4= 4.55,
 igr1= 0,  igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HE 3HE    31 LYS HG3 3.08 
 &rst iat= 430, -1, r1= 2.96, r2= 3.46, r3= 3.46, r4= 3.96,
 igr1= 0,  igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HB 3HB    31 LYS 2HD 3HD  3.33
 &rst iat= -1, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 426, 427,   igr2= 432, 433,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HB 3HB    31 LYS 2HE 3HE  4.40
 &rst iat= -1, -1, r1= 5.04, r2= 5.54, r3= 5.54, r4= 6.04,
 igr1= 426, 427,   igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HB 3HB    32 SER H 3.44 
 &rst iat= -1, 444, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 426, 427,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HB 3HB    33 LEU H 4.95 
 &rst iat= -1, 455, r1= 5.06, r2= 5.56, r3= 5.56, r4= 6.06,
 igr1= 426, 427,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HB 3HB    34 GLN H 4.65 
 &rst iat= -1, 474, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 426, 427,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HD 3HD    31 LYS 2HE 3HE  2.73
 &rst iat= -1, -1, r1= 2.94, r2= 3.44, r3= 3.44, r4= 3.94,
 igr1= 432, 433,   igr2= 435, 436,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HE 3HE    34 GLN HB3 4.70 
 &rst iat= -1, 479, r1= 4.78, r2= 5.28, r3= 5.28, r4= 5.78,
 igr1= 435, 436,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  31 LYS 2HE 3HE    34 GLN HE21 4.62 
 &rst iat= -1, 486, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 435, 436,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER H  32 SER HB2 3.75
 &rst iat=  444, 448, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  32 SER HB3 3.15
 &rst iat=  444, 449, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 LEU H 3.18
 &rst iat=  444, 455, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER H  33 LEU HA 5.44
 &rst iat=  444, 457, r1= 4.94, r2= 5.44,
 r3= 5.44, r4= 5.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    32 SER H 4.47 
 &rst iat= 444, -1, r1= 4.87, r2= 5.37, r3= 5.37, r4= 5.87,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER HA  32 SER HB2 2.80
 &rst iat=  446, 448, r1= 2.30, r2= 2.80,
 r3= 2.80, r4= 3.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    32 SER HA 4.20 
 &rst iat= 446, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER HB2  33 LEU H 4.88
 &rst iat=  448, 455, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  32 SER HB2  69 THR HA 4.16
 &rst iat=  448, 997, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    32 SER HB2 3.90 
 &rst iat= 448, -1, r1= 4.18, r2= 4.68, r3= 4.68, r4= 5.18,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  32 SER HB3  33 LEU H 4.12
 &rst iat=  449, 455, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    32 SER HB3 5.50 
 &rst iat= 449, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    32 SER HB3 3.36 
 &rst iat= 449, -1, r1= 3.54, r2= 4.04, r3= 4.04, r4= 4.54,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  33 LEU HG 3.97
 &rst iat=  455, 462, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 2HB 3HB    33 LEU H 3.23 
 &rst iat= 455, -1, r1= 3.13, r2= 3.63, r3= 3.63, r4= 4.13,
 igr1= 0,  igr2= 459, 460,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    33 LEU H 4.20 
 &rst iat= 455, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD2 2HD2 3HD2    33 LEU H 3.97 
 &rst iat= 455, -1, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 0,  igr2= 468, 469, 470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU H  34 GLN H 2.94
 &rst iat=  455, 474, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  33 LEU HG 4.00
 &rst iat=  457, 462, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    33 LEU HA 4.89 
 &rst iat= 457, -1, r1= 5.37, r2= 5.87, r3= 5.87, r4= 6.37,
 igr1= 0,  igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD2 2HD2 3HD2    33 LEU HA 3.52 
 &rst iat= 457, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 468, 469, 470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU HA  36 VAL H 4.59
 &rst iat=  457, 498, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HA  36 VAL HB 4.64
 &rst iat=  457, 502, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HG  34 GLN H 4.97
 &rst iat=  462, 474, r1= 4.47, r2= 4.97,
 r3= 4.97, r4= 5.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU HG  53 VAL CB 4.00
 &rst iat=  462, 758, r1= 3.50, r2= 4.00,
 r3= 8.40, r4= 8.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  33 LEU 2HB 3HB    33 LEU 1HD1 2HD1 3HD1  3.87
 &rst iat= -1, -1, r1= 4.72, r2= 5.22, r3= 5.22, r4= 5.72,
 igr1= 459, 460,   igr2= 464, 465, 466,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 2HB 3HB    33 LEU 1HD2 2HD2 3HD2  3.74
 &rst iat= -1, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 459, 460,   igr2= 468, 469, 470,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 2HB 3HB    34 GLN H 3.80 
 &rst iat= -1, 474, r1= 3.77, r2= 4.27, r3= 4.27, r4= 4.77,
 igr1= 459, 460,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 2HB 3HB    42 VAL 1HG2 2HG2 3HG2  3.56
 &rst iat= -1, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 459, 460,   igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD1 2HD1 3HD1    34 GLN H 4.78 
 &rst iat= -1, 474, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 464, 465, 466,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD2 2HD2 3HD2    53 VAL HB 4.24 
 &rst iat= -1, 759, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 468, 469, 470,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  33 LEU 1HD2 2HD2 3HD2    53 VAL CB 2.79 
 &rst iat= -1, 758, r1= 2.85, r2= 3.35, r3= 7.75, r4= 8.25,
 igr1= 468, 469, 470,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 GLN H  34 GLN HB2 3.28
 &rst iat=  474, 478, r1= 2.78, r2= 3.28,
 r3= 3.28, r4= 3.78,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN H  34 GLN HB3 3.52
 &rst iat=  474, 479, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN H  34 GLN HG2 4.16
 &rst iat=  474, 481, r1= 3.66, r2= 4.16,
 r3= 4.16, r4= 4.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN H  34 GLN HG3 4.94
 &rst iat=  474, 482, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN H  35 GLY H 4.52
 &rst iat=  474, 491, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN H  36 VAL H 5.05
 &rst iat=  474, 498, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HA  34 GLN HB3 2.99
 &rst iat=  476, 479, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HA  34 GLN HG2 4.00
 &rst iat=  476, 481, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HA  34 GLN HG3 3.49
 &rst iat=  476, 482, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HA  35 GLY H 2.85
 &rst iat=  476, 491, r1= 2.35, r2= 2.85,
 r3= 2.85, r4= 3.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HA  36 VAL H 3.59
 &rst iat=  476, 498, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HB2  35 GLY H 4.27
 &rst iat=  478, 491, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HB3  35 GLY H 4.51
 &rst iat=  479, 491, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    34 GLN HE21 5.15 
 &rst iat= 486, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    34 GLN HE22 4.85 
 &rst iat= 487, -1, r1= 5.32, r2= 5.82, r3= 5.82, r4= 6.32,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  34 GLN HG2  34 GLN HE21 3.55
 &rst iat=  481, 486, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HG2  34 GLN HE22 3.89
 &rst iat=  481, 487, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HG2  35 GLY H 4.12
 &rst iat=  481, 491, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HG3  34 GLN HE21 4.06
 &rst iat=  482, 486, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  34 GLN HG3  35 GLY H 4.36
 &rst iat=  482, 491, r1= 3.86, r2= 4.36,
 r3= 4.36, r4= 4.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  35 GLY H  36 VAL H 3.24
 &rst iat=  491, 498, r1= 2.74, r2= 3.24,
 r3= 3.24, r4= 3.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL H  36 VAL HB 2.89
 &rst iat=  498, 502, r1= 2.39, r2= 2.89,
 r3= 2.89, r4= 3.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL H  37 ALA H 4.39
 &rst iat=  498, 514, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL H  39 VAL H 4.76
 &rst iat=  498, 531, r1= 4.26, r2= 4.76,
 r3= 4.76, r4= 5.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL H  39 VAL HB 3.83
 &rst iat=  498, 535, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    36 VAL HA 2.86 
 &rst iat= 500, -1, r1= 2.93, r2= 3.43, r3= 3.43, r4= 3.93,
 igr1= 0,  igr2= 504, 505, 506,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL HA  37 ALA H 2.60
 &rst iat=  500, 514, r1= 2.10, r2= 2.60,
 r3= 2.60, r4= 3.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL HB  37 ALA H 4.40
 &rst iat=  502, 514, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL HB  39 VAL H 4.59
 &rst iat=  502, 531, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    37 ALA H 3.30 
 &rst iat= -1, 514, r1= 3.46, r2= 3.96, r3= 3.96, r4= 4.46,
 igr1= 504, 505, 506,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    37 ALA HA 4.24 
 &rst iat= -1, 516, r1= 4.59, r2= 5.09, r3= 5.09, r4= 5.59,
 igr1= 504, 505, 506,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    37 ALA 1HB 2HB 3HB  4.14
 &rst iat= -1, -1, r1= 5.47, r2= 5.97, r3= 5.97, r4= 6.47,
 igr1= 504, 505, 506,   igr2= 518, 519, 520,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    38 GLY H 4.72 
 &rst iat= -1, 524, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 504, 505, 506,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    39 VAL H 3.91 
 &rst iat= -1, 531, r1= 4.20, r2= 4.70, r3= 4.70, r4= 5.20,
 igr1= 504, 505, 506,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  36 VAL 1HG1 2HG1 3HG1    39 VAL HB 3.81 
 &rst iat= -1, 535, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 504, 505, 506,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 ALA 1HB 2HB 3HB    37 ALA H 2.96 
 &rst iat= 514, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 518, 519, 520,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 ALA HA  38 GLY H 2.78
 &rst iat=  516, 524, r1= 2.28, r2= 2.78,
 r3= 2.78, r4= 3.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  37 ALA 1HB 2HB 3HB    38 GLY H 3.67 
 &rst iat= -1, 524, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 518, 519, 520,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 ALA 1HB 2HB 3HB    38 GLY HA2 5.50 
 &rst iat= -1, 526, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 518, 519, 520,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  37 ALA 1HB 2HB 3HB    39 VAL H 5.06 
 &rst iat= -1, 531, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 518, 519, 520,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  38 GLY H  39 VAL H 3.44
 &rst iat=  524, 531, r1= 2.94, r2= 3.44,
 r3= 3.44, r4= 3.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLY H  39 VAL HB 4.46
 &rst iat=  524, 535, r1= 3.96, r2= 4.46,
 r3= 4.46, r4= 4.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  38 GLY HA3  57 LEU CG 5.02
 &rst iat=  527, 822, r1= 4.52, r2= 5.02,
 r3= 9.42, r4= 9.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL H  39 VAL HB 2.99
 &rst iat=  531, 535, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL H  39 VAL CB 4.13
 &rst iat=  531, 534, r1= 3.63, r2= 4.13,
 r3= 8.53, r4= 9.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL H  40 GLN H 4.77
 &rst iat=  531, 547, r1= 4.27, r2= 4.77,
 r3= 4.77, r4= 5.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL H  55 THR HA 4.96
 &rst iat=  531, 790, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL HA  39 VAL CB 3.37
 &rst iat=  533, 534, r1= 2.87, r2= 3.37,
 r3= 7.77, r4= 8.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL HA  40 GLN H 3.10
 &rst iat=  533, 547, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL HA  40 GLN HA 4.79
 &rst iat=  533, 549, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    39 VAL HA 4.79 
 &rst iat= 533, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 VAL HA  41 ASP H 4.06
 &rst iat=  533, 564, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL HA  55 THR HA 3.53
 &rst iat=  533, 790, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    39 VAL HA 4.54 
 &rst iat= 533, -1, r1= 4.95, r2= 5.45, r3= 5.45, r4= 5.95,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 VAL HA  56 THR H 4.38
 &rst iat=  533, 802, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  40 GLN H 3.61
 &rst iat=  534, 547, r1= 3.11, r2= 3.61,
 r3= 8.01, r4= 8.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    39 VAL CB 5.50 
 &rst iat= 534, -1, r1= 5.67, r2= 6.17, r3= 10.57, r4= 11.07,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  39 VAL CB  41 ASP H 3.71
 &rst iat=  534, 564, r1= 3.21, r2= 3.71,
 r3= 8.11, r4= 8.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  41 ASP HA 3.58
 &rst iat=  534, 566, r1= 3.08, r2= 3.58,
 r3= 7.98, r4= 8.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  54 HID H 5.19
 &rst iat=  534, 771, r1= 4.69, r2= 5.19,
 r3= 9.59, r4= 10.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  54 HID HD2 4.86
 &rst iat=  534, 784, r1= 4.36, r2= 4.86,
 r3= 9.26, r4= 9.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  55 THR HA 4.67
 &rst iat=  534, 790, r1= 4.17, r2= 4.67,
 r3= 9.07, r4= 9.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  55 THR HB 4.29
 &rst iat=  534, 792, r1= 3.79, r2= 4.29,
 r3= 8.69, r4= 9.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  39 VAL CB  56 THR H 5.50
 &rst iat=  534, 802, r1= 5.00, r2= 5.50,
 r3= 9.90, r4= 10.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN H  40 GLN HB2 3.31
 &rst iat=  547, 551, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN H  40 GLN HB3 3.54
 &rst iat=  547, 552, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    40 GLN H 3.22 
 &rst iat= 547, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN H  41 ASP H 3.21
 &rst iat=  547, 564, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN H  41 ASP HA 5.33
 &rst iat=  547, 566, r1= 4.83, r2= 5.33,
 r3= 5.33, r4= 5.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN H  54 HID HB2 5.02
 &rst iat=  547, 775, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN H  55 THR HA 3.74
 &rst iat=  547, 790, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    40 GLN H 5.20 
 &rst iat= 547, -1, r1= 5.74, r2= 6.24, r3= 6.24, r4= 6.74,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN HA  40 GLN HB3 2.99
 &rst iat=  549, 552, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    40 GLN HA 2.88 
 &rst iat= 549, -1, r1= 2.73, r2= 3.23, r3= 3.23, r4= 3.73,
 igr1= 0,  igr2= 554, 555,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN HB2  41 ASP H 3.51
 &rst iat=  551, 564, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN HB2  54 HID HB2 4.34
 &rst iat=  551, 775, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN HB3  41 ASP H 3.50
 &rst iat=  552, 564, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN HB3  54 HID HB3 4.72
 &rst iat=  552, 776, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  40 GLN 2HG 3HG    40 GLN HE22 3.35 
 &rst iat= -1, 560, r1= 3.26, r2= 3.76, r3= 3.76, r4= 4.26,
 igr1= 554, 555,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN 2HG 3HG    41 ASP H 4.48 
 &rst iat= -1, 564, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 554, 555,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN 2HG 3HG    54 HID HB2 5.07 
 &rst iat= -1, 775, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 554, 555,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  40 GLN 2HG 3HG    55 THR HA 4.37 
 &rst iat= -1, 790, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 554, 555,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 ASP H  41 ASP HB2 3.81
 &rst iat=  564, 568, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  41 ASP HB3 4.05
 &rst iat=  564, 569, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  42 VAL H 4.30
 &rst iat=  564, 576, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  53 VAL HA 5.26
 &rst iat=  564, 757, r1= 4.76, r2= 5.26,
 r3= 5.26, r4= 5.76,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  54 HID H 3.84
 &rst iat=  564, 771, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  54 HID HB2 3.45
 &rst iat=  564, 775, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  54 HID HB3 3.82
 &rst iat=  564, 776, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  54 HID HD2 5.13
 &rst iat=  564, 784, r1= 4.63, r2= 5.13,
 r3= 5.13, r4= 5.63,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP H  55 THR HA 4.73
 &rst iat=  564, 790, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HA  42 VAL H 2.40
 &rst iat=  566, 576, r1= 1.90, r2= 2.40,
 r3= 2.40, r4= 2.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    41 ASP HA 3.84 
 &rst iat= 566, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  41 ASP HB2  42 VAL H 3.62
 &rst iat=  568, 576, r1= 3.12, r2= 3.62,
 r3= 3.62, r4= 4.12,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB2  54 HID H 4.63
 &rst iat=  568, 771, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB2  54 HID HB2 4.52
 &rst iat=  568, 775, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB2  54 HID HB3 4.51
 &rst iat=  568, 776, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB2  54 HID HD2 4.58
 &rst iat=  568, 784, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB3  42 VAL H 3.66
 &rst iat=  569, 576, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB3  54 HID H 4.90
 &rst iat=  569, 771, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB3  54 HID HB2 5.15
 &rst iat=  569, 775, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB3  54 HID HB3 4.84
 &rst iat=  569, 776, r1= 4.34, r2= 4.84,
 r3= 4.84, r4= 5.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  41 ASP HB3  54 HID HD2 4.07
 &rst iat=  569, 784, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL H  42 VAL HB 3.87
 &rst iat=  576, 580, r1= 3.37, r2= 3.87,
 r3= 3.87, r4= 4.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG1 2HG1 3HG1    42 VAL H 4.05 
 &rst iat= 576, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 582, 583, 584,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    42 VAL H 4.16 
 &rst iat= 576, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL H  43 GLU H 4.56
 &rst iat=  576, 592, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG1 2HG1 3HG1    42 VAL HA 3.69 
 &rst iat= 578, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 582, 583, 584,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    42 VAL HA 3.39 
 &rst iat= 578, -1, r1= 3.57, r2= 4.07, r3= 4.07, r4= 4.57,
 igr1= 0,  igr2= 586, 587, 588,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL HA  43 GLU H 2.92
 &rst iat=  578, 592, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  43 GLU HA 4.58
 &rst iat=  578, 594, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  52 LEU H 5.32
 &rst iat=  578, 736, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  53 VAL H 4.72
 &rst iat=  578, 755, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  53 VAL HA 3.60
 &rst iat=  578, 757, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  54 HID H 4.07
 &rst iat=  578, 771, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HA  54 HID HD2 4.17
 &rst iat=  578, 784, r1= 3.67, r2= 4.17,
 r3= 4.17, r4= 4.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL HB  43 GLU H 4.39
 &rst iat=  580, 592, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  42 VAL 1HG1 2HG1 3HG1    43 GLU H 4.26 
 &rst iat= -1, 592, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 582, 583, 584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG1 2HG1 3HG1    53 VAL HA 4.00 
 &rst iat= -1, 757, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 582, 583, 584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG1 2HG1 3HG1    54 HID H 5.29 
 &rst iat= -1, 771, r1= 5.85, r2= 6.35, r3= 6.35, r4= 6.85,
 igr1= 582, 583, 584,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  42 VAL 1HG2 2HG2 3HG2    43 GLU H 3.94 
 &rst iat= -1, 592, r1= 4.23, r2= 4.73, r3= 4.73, r4= 5.23,
 igr1= 586, 587, 588,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU H  43 GLU HG2 4.65
 &rst iat=  592, 599, r1= 4.15, r2= 4.65,
 r3= 4.65, r4= 5.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  43 GLU HG3 5.02
 &rst iat=  592, 600, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU 2HB 3HB    43 GLU H 3.50 
 &rst iat= 592, -1, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 0,  igr2= 596, 597,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU H  44 VAL H 4.73
 &rst iat=  592, 607, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  52 LEU H 4.34
 &rst iat=  592, 736, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  52 LEU HB2 4.50
 &rst iat=  592, 740, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  52 LEU HB3 4.87
 &rst iat=  592, 741, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  52 LEU CG 5.00
 &rst iat=  592, 742, r1= 4.50, r2= 5.00,
 r3= 9.40, r4= 9.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU H  53 VAL HA 4.12
 &rst iat=  592, 757, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HA  43 GLU HG2 3.58
 &rst iat=  594, 599, r1= 3.08, r2= 3.58,
 r3= 3.58, r4= 4.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HA  43 GLU HG3 3.74
 &rst iat=  594, 600, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HA  44 VAL H 2.80
 &rst iat=  594, 607, r1= 2.30, r2= 2.80,
 r3= 2.80, r4= 3.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HA  52 LEU CG 5.36
 &rst iat=  594, 742, r1= 4.86, r2= 5.36,
 r3= 9.76, r4= 10.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HG2  44 VAL H 4.37
 &rst iat=  599, 607, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HG2  45 HID HD2 4.67
 &rst iat=  599, 636, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HG3  44 VAL H 5.06
 &rst iat=  600, 607, r1= 4.56, r2= 5.06,
 r3= 5.06, r4= 5.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU HG3  45 HID HD2 4.43
 &rst iat=  600, 636, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  43 GLU 2HB 3HB    45 HID HD2 3.87 
 &rst iat= -1, 636, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 596, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU 2HB 3HB    52 LEU H 4.10 
 &rst iat= -1, 736, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 596, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU 2HB 3HB    52 LEU HB2 2.72 
 &rst iat= -1, 740, r1= 2.55, r2= 3.05, r3= 3.05, r4= 3.55,
 igr1= 596, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU 2HB 3HB    52 LEU HB3 3.46 
 &rst iat= -1, 741, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 596, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  43 GLU 2HB 3HB    52 LEU CG 4.08 
 &rst iat= -1, 742, r1= 4.08, r2= 4.58, r3= 8.98, r4= 9.48,
 igr1= 596, 597,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL H  44 VAL HB 3.17
 &rst iat=  607, 611, r1= 2.67, r2= 3.17,
 r3= 3.17, r4= 3.67,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG1 2HG1 3HG1    44 VAL H 4.28 
 &rst iat= 607, -1, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 0,  igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    44 VAL H 3.83 
 &rst iat= 607, -1, r1= 4.10, r2= 4.60, r3= 4.60, r4= 5.10,
 igr1= 0,  igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL H  45 HID H 5.00
 &rst iat=  607, 623, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL H  45 HID HD2 4.73
 &rst iat=  607, 636, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG1 2HG1 3HG1    44 VAL HA 3.35 
 &rst iat= 609, -1, r1= 3.52, r2= 4.02, r3= 4.02, r4= 4.52,
 igr1= 0,  igr2= 613, 614, 615,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    44 VAL HA 3.12 
 &rst iat= 609, -1, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 0,  igr2= 617, 618, 619,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL HA  45 HID H 2.99
 &rst iat=  609, 623, r1= 2.49, r2= 2.99,
 r3= 2.99, r4= 3.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL HA  45 HID HA 4.95
 &rst iat=  609, 625, r1= 4.45, r2= 4.95,
 r3= 4.95, r4= 5.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL HA  45 HID HD2 4.72
 &rst iat=  609, 636, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL HA  51 VAL HA 3.57
 &rst iat=  609, 722, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    44 VAL HA 3.46 
 &rst iat= 609, -1, r1= 3.66, r2= 4.16, r3= 4.16, r4= 4.66,
 igr1= 0,  igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL HA  52 LEU H 4.64
 &rst iat=  609, 736, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL HA  52 LEU CG 4.37
 &rst iat=  609, 742, r1= 3.87, r2= 4.37,
 r3= 8.77, r4= 9.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  44 VAL 1HG1 2HG1 3HG1    45 HID H 4.26 
 &rst iat= -1, 623, r1= 4.62, r2= 5.12, r3= 5.12, r4= 5.62,
 igr1= 613, 614, 615,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    45 HID H 4.15 
 &rst iat= -1, 623, r1= 4.48, r2= 4.98, r3= 4.98, r4= 5.48,
 igr1= 617, 618, 619,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  44 VAL 1HG2 2HG2 3HG2    45 HID HB2 5.50 
 &rst iat= -1, 627, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 617, 618, 619,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 HID H  45 HID HB2 3.72
 &rst iat=  623, 627, r1= 3.22, r2= 3.72,
 r3= 3.72, r4= 4.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID H  45 HID HB3 3.70
 &rst iat=  623, 628, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID H  45 HID HD2 3.97
 &rst iat=  623, 636, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID H  50 MET H 4.19
 &rst iat=  623, 703, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    45 HID H 3.96 
 &rst iat= 623, -1, r1= 3.94, r2= 4.44, r3= 4.44, r4= 4.94,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 HID H  51 VAL HA 4.64
 &rst iat=  623, 722, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    45 HID H 4.16 
 &rst iat= 623, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 HID HA  45 HID HD2 3.89
 &rst iat=  625, 636, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HA  46 LEU H 2.92
 &rst iat=  625, 640, r1= 2.42, r2= 2.92,
 r3= 2.92, r4= 3.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HA  46 LEU HA 4.54
 &rst iat=  625, 642, r1= 4.04, r2= 4.54,
 r3= 4.54, r4= 5.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HA  46 LEU HB2 4.79
 &rst iat=  625, 644, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HA  46 LEU HB3 4.58
 &rst iat=  625, 645, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HA  47 GLU H 4.31
 &rst iat=  625, 659, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB2  47 GLU H 5.00
 &rst iat=  627, 659, r1= 4.50, r2= 5.00,
 r3= 5.00, r4= 5.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB2  48 ASP H 4.11
 &rst iat=  627, 674, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB2  48 ASP HB2 3.91
 &rst iat=  627, 678, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB2  48 ASP HB3 3.75
 &rst iat=  627, 679, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB2  50 MET H 5.16
 &rst iat=  627, 703, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    45 HID HB2 4.20 
 &rst iat= 627, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 HID HB3  48 ASP H 4.39
 &rst iat=  628, 674, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB3  48 ASP HB3 4.31
 &rst iat=  628, 679, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HB3  50 MET H 4.14
 &rst iat=  628, 703, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    45 HID HB3 3.74 
 &rst iat= 628, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  45 HID HB3  52 LEU CG 4.62
 &rst iat=  628, 742, r1= 4.12, r2= 4.62,
 r3= 9.02, r4= 9.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HD2  52 LEU HG 4.98
 &rst iat=  636, 743, r1= 4.48, r2= 4.98,
 r3= 4.98, r4= 5.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  45 HID HD2  52 LEU CG 3.89
 &rst iat=  636, 742, r1= 3.39, r2= 3.89,
 r3= 8.29, r4= 8.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU H  46 LEU HB2 3.47
 &rst iat=  640, 644, r1= 2.97, r2= 3.47,
 r3= 3.47, r4= 3.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU H  46 LEU HB3 3.29
 &rst iat=  640, 645, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU H  46 LEU HG 5.47
 &rst iat=  640, 647, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    46 LEU H 4.28 
 &rst iat= 640, -1, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    46 LEU H 4.41 
 &rst iat= 640, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU H  47 GLU H 3.97
 &rst iat=  640, 659, r1= 3.47, r2= 3.97,
 r3= 3.97, r4= 4.47,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU H  48 ASP H 4.71
 &rst iat=  640, 674, r1= 4.21, r2= 4.71,
 r3= 4.71, r4= 5.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU HA  46 LEU HG 4.24
 &rst iat=  642, 647, r1= 3.74, r2= 4.24,
 r3= 4.24, r4= 4.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    46 LEU HA 3.87 
 &rst iat= 642, -1, r1= 4.15, r2= 4.65, r3= 4.65, r4= 5.15,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    46 LEU HA 3.19 
 &rst iat= 642, -1, r1= 3.33, r2= 3.83, r3= 3.83, r4= 4.33,
 igr1= 0,  igr2= 653, 654, 655,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU HA  49 GLN H 4.27
 &rst iat=  642, 686, r1= 3.77, r2= 4.27,
 r3= 4.27, r4= 4.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU HA  49 GLN HA 4.47
 &rst iat=  642, 688, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU HA  49 GLN HG3 5.01
 &rst iat=  642, 694, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    46 LEU HB2 3.80 
 &rst iat= 644, -1, r1= 4.06, r2= 4.56, r3= 4.56, r4= 5.06,
 igr1= 0,  igr2= 649, 650, 651,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU HB2  47 GLU H 3.73
 &rst iat=  644, 659, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU HB3  47 GLU H 3.73
 &rst iat=  645, 659, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    47 GLU H 4.81 
 &rst iat= -1, 659, r1= 5.28, r2= 5.78, r3= 5.78, r4= 6.28,
 igr1= 649, 650, 651,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD1 2HD1 3HD1    47 GLU HG3 4.57 
 &rst iat= -1, 667, r1= 4.99, r2= 5.49, r3= 5.49, r4= 5.99,
 igr1= 649, 650, 651,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    47 GLU H 5.50 
 &rst iat= -1, 659, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 655,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    49 GLN H 5.47 
 &rst iat= -1, 686, r1= 6.07, r2= 6.57, r3= 6.57, r4= 7.07,
 igr1= 653, 654, 655,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  46 LEU 1HD2 2HD2 3HD2    49 GLN HA 4.91 
 &rst iat= -1, 688, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 653, 654, 655,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU H  47 GLU HG2 4.15
 &rst iat=  659, 666, r1= 3.65, r2= 4.15,
 r3= 4.15, r4= 4.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU H  47 GLU HG3 4.08
 &rst iat=  659, 667, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU 2HB 3HB    47 GLU H 3.25 
 &rst iat= 659, -1, r1= 3.15, r2= 3.65, r3= 3.65, r4= 4.15,
 igr1= 0,  igr2= 663, 664,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU H  48 ASP H 3.52
 &rst iat=  659, 674, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU HA  47 GLU HG2 3.69
 &rst iat=  661, 666, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU HA  47 GLU HG3 3.40
 &rst iat=  661, 667, r1= 2.90, r2= 3.40,
 r3= 3.40, r4= 3.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU 2HB 3HB    47 GLU HA 2.78 
 &rst iat= 661, -1, r1= 2.62, r2= 3.12, r3= 3.12, r4= 3.62,
 igr1= 0,  igr2= 663, 664,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU HA  48 ASP HA 4.56
 &rst iat=  661, 676, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  47 GLU 2HB 3HB    47 GLU HG2 2.92 
 &rst iat= -1, 666, r1= 2.78, r2= 3.28, r3= 3.28, r4= 3.78,
 igr1= 663, 664,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU 2HB 3HB    47 GLU HG3 2.59 
 &rst iat= -1, 667, r1= 2.41, r2= 2.91, r3= 2.91, r4= 3.41,
 igr1= 663, 664,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  47 GLU 2HB 3HB    48 ASP H 3.59 
 &rst iat= -1, 674, r1= 3.53, r2= 4.03, r3= 4.03, r4= 4.53,
 igr1= 663, 664,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP H  48 ASP HB2 3.50
 &rst iat=  674, 678, r1= 3.00, r2= 3.50,
 r3= 3.50, r4= 4.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP H  48 ASP HB3 3.38
 &rst iat=  674, 679, r1= 2.88, r2= 3.38,
 r3= 3.38, r4= 3.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP H  49 GLN H 3.15
 &rst iat=  674, 686, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP H  49 GLN HA 4.45
 &rst iat=  674, 688, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP H  50 MET H 4.63
 &rst iat=  674, 703, r1= 4.13, r2= 4.63,
 r3= 4.63, r4= 5.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP HB2  49 GLN H 5.15
 &rst iat=  678, 686, r1= 4.65, r2= 5.15,
 r3= 5.15, r4= 5.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  48 ASP HB2  50 MET H 3.95
 &rst iat=  678, 703, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    48 ASP HB2 3.78 
 &rst iat= 678, -1, r1= 3.74, r2= 4.24, r3= 4.24, r4= 4.74,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    48 ASP HB2 5.06 
 &rst iat= 678, -1, r1= 5.58, r2= 6.08, r3= 6.08, r4= 6.58,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  48 ASP HB3  50 MET H 4.32
 &rst iat=  679, 703, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    48 ASP HB3 3.75 
 &rst iat= 679, -1, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 GLN H  49 GLN HB2 4.08
 &rst iat=  686, 690, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN H  49 GLN HG2 4.35
 &rst iat=  686, 693, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN H  49 GLN HG3 3.57
 &rst iat=  686, 694, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN H  50 MET H 3.39
 &rst iat=  686, 703, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    49 GLN H 4.58 
 &rst iat= 686, -1, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  49 GLN HA  49 GLN HG2 3.77
 &rst iat=  688, 693, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN HA  49 GLN HG3 3.33
 &rst iat=  688, 694, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN HA  50 MET H 3.32
 &rst iat=  688, 703, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN HB2  50 MET HA 4.80
 &rst iat=  690, 705, r1= 4.30, r2= 4.80,
 r3= 4.80, r4= 5.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  49 GLN HB3  49 GLN HG3 2.90
 &rst iat=  691, 694, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET H  50 MET HG3 4.85
 &rst iat=  703, 711, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    50 MET H 2.94 
 &rst iat= 703, -1, r1= 2.80, r2= 3.30, r3= 3.30, r4= 3.80,
 igr1= 0,  igr2= 707, 708,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    50 MET H 5.07 
 &rst iat= 703, -1, r1= 5.59, r2= 6.09, r3= 6.09, r4= 6.59,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET H  51 VAL H 4.79
 &rst iat=  703, 720, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HA  50 MET HG3 3.96
 &rst iat=  705, 711, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    50 MET HA 4.16 
 &rst iat= 705, -1, r1= 4.50, r2= 5.00, r3= 5.00, r4= 5.50,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET HA  51 VAL H 3.06
 &rst iat=  705, 720, r1= 2.56, r2= 3.06,
 r3= 3.06, r4= 3.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HA  52 LEU CG 5.18
 &rst iat=  705, 742, r1= 4.68, r2= 5.18,
 r3= 9.58, r4= 10.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    50 MET HG2 4.20 
 &rst iat= 710, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET HG2  51 VAL H 3.95
 &rst iat=  710, 720, r1= 3.45, r2= 3.95,
 r3= 3.95, r4= 4.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HG2  52 LEU CG 3.93
 &rst iat=  710, 742, r1= 3.43, r2= 3.93,
 r3= 8.33, r4= 8.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    50 MET HG3 4.36 
 &rst iat= 711, -1, r1= 4.74, r2= 5.24, r3= 5.24, r4= 5.74,
 igr1= 0,  igr2= 714, 715, 716,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET HG3  51 VAL H 4.34
 &rst iat=  711, 720, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HG3  51 VAL HA 4.99
 &rst iat=  711, 722, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HG3  52 LEU HG 5.21
 &rst iat=  711, 743, r1= 4.71, r2= 5.21,
 r3= 5.21, r4= 5.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET HG3  52 LEU CG 4.03
 &rst iat=  711, 742, r1= 3.53, r2= 4.03,
 r3= 8.43, r4= 8.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  50 MET 2HB 3HB    51 VAL H 3.75 
 &rst iat= -1, 720, r1= 3.71, r2= 4.21, r3= 4.21, r4= 4.71,
 igr1= 707, 708,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 2HB 3HB    51 VAL HA 4.72 
 &rst iat= -1, 722, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 707, 708,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    51 VAL H 3.89 
 &rst iat= -1, 720, r1= 4.17, r2= 4.67, r3= 4.67, r4= 5.17,
 igr1= 714, 715, 716,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    75 LEU HA 5.26 
 &rst iat= -1, 1085, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 714, 715, 716,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    76 LYS HA 5.50 
 &rst iat= -1, 1104, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 714, 715, 716,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  50 MET 1HE 2HE 3HE    76 LYS 2HG 3HG  2.75
 &rst iat= -1, -1, r1= 3.21, r2= 3.71, r3= 3.71, r4= 4.21,
 igr1= 714, 715, 716,   igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 VAL H  51 VAL HB 3.41
 &rst iat=  720, 724, r1= 2.91, r2= 3.41,
 r3= 3.41, r4= 3.91,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    51 VAL H 3.92 
 &rst iat= 720, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 VAL 1HG2 2HG2 3HG2    51 VAL H 4.83 
 &rst iat= 720, -1, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 0,  igr2= 730, 731, 732,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 VAL H  52 LEU H 5.12
 &rst iat=  720, 736, r1= 4.62, r2= 5.12,
 r3= 5.12, r4= 5.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL H  52 LEU CG 4.55
 &rst iat=  720, 742, r1= 4.05, r2= 4.55,
 r3= 8.95, r4= 9.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    51 VAL HA 3.75 
 &rst iat= 722, -1, r1= 4.00, r2= 4.50, r3= 4.50, r4= 5.00,
 igr1= 0,  igr2= 726, 727, 728,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 VAL HA  52 LEU H 3.14
 &rst iat=  722, 736, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  51 VAL HA  52 LEU CG 3.83
 &rst iat=  722, 742, r1= 3.33, r2= 3.83,
 r3= 8.23, r4= 8.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    51 VAL HB 4.72 
 &rst iat= 724, -1, r1= 5.17, r2= 5.67, r3= 5.67, r4= 6.17,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  51 VAL 1HG1 2HG1 3HG1    52 LEU H 4.46 
 &rst iat= -1, 736, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 726, 727, 728,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  52 LEU H  52 LEU HB2 3.67
 &rst iat=  736, 740, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU H  52 LEU HB3 4.14
 &rst iat=  736, 741, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU H  52 LEU HG 4.53
 &rst iat=  736, 743, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU H  52 LEU CG 3.91
 &rst iat=  736, 742, r1= 3.41, r2= 3.91,
 r3= 8.31, r4= 8.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU H  53 VAL H 5.14
 &rst iat=  736, 755, r1= 4.64, r2= 5.14,
 r3= 5.14, r4= 5.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HA  52 LEU HG 4.01
 &rst iat=  738, 743, r1= 3.51, r2= 4.01,
 r3= 4.01, r4= 4.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HA  52 LEU CG 3.68
 &rst iat=  738, 742, r1= 3.18, r2= 3.68,
 r3= 8.08, r4= 8.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HA  53 VAL H 2.94
 &rst iat=  738, 755, r1= 2.44, r2= 2.94,
 r3= 2.94, r4= 3.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HA  53 VAL HB 4.53
 &rst iat=  738, 759, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HA  53 VAL CB 4.87
 &rst iat=  738, 758, r1= 4.37, r2= 4.87,
 r3= 9.27, r4= 9.77,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HB3  52 LEU CG 3.71
 &rst iat=  741, 742, r1= 3.21, r2= 3.71,
 r3= 8.11, r4= 8.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HB3  53 VAL H 4.23
 &rst iat=  741, 755, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HB3  54 HID H 4.66
 &rst iat=  741, 771, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU HG  53 VAL H 4.55
 &rst iat=  743, 755, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU CG  53 VAL H 3.81
 &rst iat=  742, 755, r1= 3.31, r2= 3.81,
 r3= 8.21, r4= 8.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  52 LEU CG  79 GLY HA2 3.33
 &rst iat=  742, 1150, r1= 2.83, r2= 3.33,
 r3= 7.73, r4= 8.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL H  53 VAL HB 3.71
 &rst iat=  755, 759, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL H  53 VAL CB 3.62
 &rst iat=  755, 758, r1= 3.12, r2= 3.62,
 r3= 8.02, r4= 8.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL H  54 HID H 4.79
 &rst iat=  755, 771, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL H  54 HID HD2 4.47
 &rst iat=  755, 784, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL HA  54 HID H 3.07
 &rst iat=  757, 771, r1= 2.57, r2= 3.07,
 r3= 3.07, r4= 3.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL HA  54 HID HA 4.75
 &rst iat=  757, 773, r1= 4.25, r2= 4.75,
 r3= 4.75, r4= 5.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL HA  54 HID HD2 4.60
 &rst iat=  757, 784, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL HB  54 HID H 4.52
 &rst iat=  759, 771, r1= 4.02, r2= 4.52,
 r3= 4.52, r4= 5.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    53 VAL HB 3.81 
 &rst iat= 759, -1, r1= 4.08, r2= 4.58, r3= 4.58, r4= 5.08,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  53 VAL CB  54 HID H 5.42
 &rst iat=  758, 771, r1= 4.92, r2= 5.42,
 r3= 9.82, r4= 10.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  53 VAL CB  55 THR HB 4.05
 &rst iat=  758, 792, r1= 3.55, r2= 4.05,
 r3= 8.45, r4= 8.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    53 VAL CB 3.19 
 &rst iat= 758, -1, r1= 3.33, r2= 3.83, r3= 8.23, r4= 8.73,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 HID H  54 HID HB2 3.74
 &rst iat=  771, 775, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID H  54 HID HB3 3.70
 &rst iat=  771, 776, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID H  54 HID HD2 4.32
 &rst iat=  771, 784, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID H  55 THR HB 4.74
 &rst iat=  771, 792, r1= 4.24, r2= 4.74,
 r3= 4.74, r4= 5.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID HA  54 HID HD2 3.96
 &rst iat=  773, 784, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID HA  55 THR H 2.95
 &rst iat=  773, 788, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  54 HID HA  55 THR HB 4.91
 &rst iat=  773, 792, r1= 4.41, r2= 4.91,
 r3= 4.91, r4= 5.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    54 HID HA 4.22 
 &rst iat= 773, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  54 HID HB3  55 THR H 4.69
 &rst iat=  776, 788, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR H  55 THR HB 4.19
 &rst iat=  788, 792, r1= 3.69, r2= 4.19,
 r3= 4.19, r4= 4.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    55 THR H 3.48 
 &rst iat= 788, -1, r1= 3.68, r2= 4.18, r3= 4.18, r4= 4.68,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 THR H  56 THR H 5.16
 &rst iat=  788, 802, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    55 THR HA 4.00 
 &rst iat= 790, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 794, 795, 796,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 THR HA  56 THR H 3.20
 &rst iat=  790, 802, r1= 2.70, r2= 3.20,
 r3= 3.20, r4= 3.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR HA  56 THR HA 4.50
 &rst iat=  790, 804, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    55 THR HA 4.32 
 &rst iat= 790, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 THR HA  57 LEU HG 4.87
 &rst iat=  790, 823, r1= 4.37, r2= 4.87,
 r3= 4.87, r4= 5.37,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR HB  56 THR H 3.88
 &rst iat=  792, 802, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    56 THR H 4.30 
 &rst iat= -1, 802, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 794, 795, 796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    56 THR HA 4.83 
 &rst iat= -1, 804, r1= 5.30, r2= 5.80, r3= 5.80, r4= 6.30,
 igr1= 794, 795, 796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  55 THR 1HG2 2HG2 3HG2    57 LEU H 3.58 
 &rst iat= -1, 816, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 794, 795, 796,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    56 THR H 3.71 
 &rst iat= 802, -1, r1= 3.96, r2= 4.46, r3= 4.46, r4= 4.96,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 THR H  57 LEU H 4.00
 &rst iat=  802, 816, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR H  57 LEU HB2 5.59
 &rst iat=  802, 820, r1= 5.09, r2= 5.59,
 r3= 5.59, r4= 6.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR H  57 LEU HG 4.38
 &rst iat=  802, 823, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    56 THR HA 3.13 
 &rst iat= 804, -1, r1= 3.26, r2= 3.76, r3= 3.76, r4= 4.26,
 igr1= 0,  igr2= 808, 809, 810,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  56 THR 1HG2 2HG2 3HG2    57 LEU H 5.15 
 &rst iat= -1, 816, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 808, 809, 810,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU H  57 LEU HB2 4.00
 &rst iat=  816, 820, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU H  57 LEU HG 3.67
 &rst iat=  816, 823, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU 1HD2 2HD2 3HD2    57 LEU H 4.32 
 &rst iat= 816, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 829, 830, 831,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU 1HD2 2HD2 3HD2    57 LEU HA 3.31 
 &rst iat= 818, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 829, 830, 831,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU HA  57 LEU CG 3.38
 &rst iat=  818, 822, r1= 2.88, r2= 3.38,
 r3= 7.78, r4= 8.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HA  58 PRO HD2 3.33
 &rst iat=  818, 836, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HA  58 PRO HD3 3.42
 &rst iat=  818, 837, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO 2HG 3HG    57 LEU HA 3.93 
 &rst iat= 818, -1, r1= 3.91, r2= 4.41, r3= 4.41, r4= 4.91,
 igr1= 0,  igr2= 839, 840,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU HB2  58 PRO HD2 4.60
 &rst iat=  820, 836, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HB2  58 PRO HD3 4.64
 &rst iat=  820, 837, r1= 4.14, r2= 4.64,
 r3= 4.64, r4= 5.14,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU 1HD1 2HD1 3HD1    57 LEU HB3 3.12 
 &rst iat= 821, -1, r1= 3.25, r2= 3.75, r3= 3.75, r4= 4.25,
 igr1= 0,  igr2= 825, 826, 827,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU HB3  58 PRO HD2 4.14
 &rst iat=  821, 836, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HB3  58 PRO HD3 4.05
 &rst iat=  821, 837, r1= 3.55, r2= 4.05,
 r3= 4.05, r4= 4.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HB3  61 GLU H 5.32
 &rst iat=  821, 877, r1= 4.82, r2= 5.32,
 r3= 5.32, r4= 5.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HB3  62 VAL H 4.79
 &rst iat=  821, 892, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  57 LEU HB3  62 VAL HA 4.89
 &rst iat=  821, 894, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    57 LEU HB3 3.34 
 &rst iat= 821, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU 1HD2 2HD2 3HD2    58 PRO HD2 4.43 
 &rst iat= -1, 836, r1= 4.82, r2= 5.32, r3= 5.32, r4= 5.82,
 igr1= 829, 830, 831,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU 1HD2 2HD2 3HD2    58 PRO HD3 4.09 
 &rst iat= -1, 837, r1= 4.41, r2= 4.91, r3= 4.91, r4= 5.41,
 igr1= 829, 830, 831,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  57 LEU CG  58 PRO HD3 4.42
 &rst iat=  822, 837, r1= 3.92, r2= 4.42,
 r3= 8.82, r4= 9.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HA  59 SER H 2.89
 &rst iat=  845, 849, r1= 2.39, r2= 2.89,
 r3= 2.89, r4= 3.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB2  59 SER H 3.88
 &rst iat=  842, 849, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB2  60 GLN H 3.42
 &rst iat=  842, 860, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB2  61 GLU H 3.76
 &rst iat=  842, 877, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB3  59 SER H 4.44
 &rst iat=  843, 849, r1= 3.94, r2= 4.44,
 r3= 4.44, r4= 4.94,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB3  60 GLN H 4.06
 &rst iat=  843, 860, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HB3  60 GLN HE21 4.72
 &rst iat=  843, 872, r1= 4.22, r2= 4.72,
 r3= 4.72, r4= 5.22,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HD3  61 GLU H 4.86
 &rst iat=  837, 877, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  58 PRO HD3  61 GLU HG3 5.19
 &rst iat=  837, 885, r1= 4.69, r2= 5.19,
 r3= 5.19, r4= 5.69,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 SER H  59 SER HB2 3.66
 &rst iat=  849, 853, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 SER H  59 SER HB3 3.60
 &rst iat=  849, 854, r1= 3.10, r2= 3.60,
 r3= 3.60, r4= 4.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  59 SER HA  61 GLU H 4.85
 &rst iat=  851, 877, r1= 4.35, r2= 4.85,
 r3= 4.85, r4= 5.35,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    59 SER HB2 4.51 
 &rst iat= 853, -1, r1= 4.92, r2= 5.42, r3= 5.42, r4= 5.92,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    59 SER HB2 4.48 
 &rst iat= 853, -1, r1= 4.88, r2= 5.38, r3= 5.38, r4= 5.88,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 SER HB3  62 VAL HB 4.10
 &rst iat=  854, 896, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    59 SER HB3 3.95 
 &rst iat= 854, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  59 SER HB3  63 GLN H 4.86
 &rst iat=  854, 908, r1= 4.36, r2= 4.86,
 r3= 4.86, r4= 5.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    59 SER HB3 3.68 
 &rst iat= 854, -1, r1= 3.92, r2= 4.42, r3= 4.42, r4= 4.92,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    59 SER HB3 4.37 
 &rst iat= 854, -1, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN H  60 GLN HG3 4.29
 &rst iat=  860, 868, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN H 3.07 
 &rst iat= 860, -1, r1= 2.95, r2= 3.45, r3= 3.45, r4= 3.95,
 igr1= 0,  igr2= 864, 865,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN H 4.09 
 &rst iat= 860, -1, r1= 4.09, r2= 4.59, r3= 4.59, r4= 5.09,
 igr1= 0,  igr2= 867, 868,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN H  61 GLU H 3.54
 &rst iat=  860, 877, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  62 VAL H 4.39
 &rst iat=  860, 892, r1= 3.89, r2= 4.39,
 r3= 4.39, r4= 4.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN H  63 GLN H 4.99
 &rst iat=  860, 908, r1= 4.49, r2= 4.99,
 r3= 4.99, r4= 5.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  60 GLN HG2 3.65
 &rst iat=  862, 867, r1= 3.15, r2= 3.65,
 r3= 3.65, r4= 4.15,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HA  60 GLN HG3 3.45
 &rst iat=  862, 868, r1= 2.95, r2= 3.45,
 r3= 3.45, r4= 3.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN HA 2.59 
 &rst iat= 862, -1, r1= 2.41, r2= 2.91, r3= 2.91, r4= 3.41,
 igr1= 0,  igr2= 864, 865,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN HA  63 GLN H 4.07
 &rst iat=  862, 908, r1= 3.57, r2= 4.07,
 r3= 4.07, r4= 4.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HG2  60 GLN HE22 3.75
 &rst iat=  867, 873, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN HG3  60 GLN HE22 3.77
 &rst iat=  868, 873, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  60 GLN 2HB 3HB    60 GLN HE21 5.27 
 &rst iat= -1, 872, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 864, 865,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  60 GLN 2HG 3HG    60 GLN HE22 3.92 
 &rst iat= -1, 873, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 867, 868,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU H  61 GLU HG2 5.50
 &rst iat=  877, 884, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 GLU H  61 GLU HG3 4.59
 &rst iat=  877, 885, r1= 4.09, r2= 4.59,
 r3= 4.59, r4= 5.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 GLU 2HB 3HB    61 GLU H 2.85 
 &rst iat= 877, -1, r1= 2.70, r2= 3.20, r3= 3.20, r4= 3.70,
 igr1= 0,  igr2= 881, 882,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU H  62 VAL H 3.29
 &rst iat=  877, 892, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 GLU H  62 VAL HB 4.88
 &rst iat=  877, 896, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    61 GLU H 4.21 
 &rst iat= 877, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU HA  61 GLU HG2 3.53
 &rst iat=  879, 884, r1= 3.03, r2= 3.53,
 r3= 3.53, r4= 4.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  61 GLU HA  61 GLU HG3 3.42
 &rst iat=  879, 885, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    61 GLU HA 4.91 
 &rst iat= 879, -1, r1= 5.40, r2= 5.90, r3= 5.90, r4= 6.40,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    61 GLU HA 3.34 
 &rst iat= 879, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU HA  65 LEU HG 4.53
 &rst iat=  879, 942, r1= 4.03, r2= 4.53,
 r3= 4.53, r4= 5.03,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    61 GLU HA 5.10 
 &rst iat= 879, -1, r1= 5.62, r2= 6.12, r3= 6.12, r4= 6.62,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU HG2  62 VAL H 4.02
 &rst iat=  884, 892, r1= 3.52, r2= 4.02,
 r3= 4.02, r4= 4.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    61 GLU HG2 4.46 
 &rst iat= 884, -1, r1= 4.86, r2= 5.36, r3= 5.36, r4= 5.86,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    61 GLU HG2 4.75 
 &rst iat= 884, -1, r1= 5.20, r2= 5.70, r3= 5.70, r4= 6.20,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU HG3  62 VAL H 5.16
 &rst iat=  885, 892, r1= 4.66, r2= 5.16,
 r3= 5.16, r4= 5.66,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    61 GLU HG3 5.48 
 &rst iat= 885, -1, r1= 6.08, r2= 6.58, r3= 6.58, r4= 7.08,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU 2HB 3HB    62 VAL H 3.67 
 &rst iat= -1, 892, r1= 3.62, r2= 4.12, r3= 4.12, r4= 4.62,
 igr1= 881, 882,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU 2HB 3HB    62 VAL HA 5.16 
 &rst iat= -1, 894, r1= 5.29, r2= 5.79, r3= 5.79, r4= 6.29,
 igr1= 881, 882,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU 2HB 3HB    62 VAL 1HG2 2HG2 3HG2  3.66
 &rst iat= -1, -1, r1= 4.43, r2= 4.93, r3= 4.93, r4= 5.43,
 igr1= 881, 882,   igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU 2HB 3HB    64 ALA 1HB 2HB 3HB  4.90
 &rst iat= -1, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 881, 882,   igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  61 GLU 2HB 3HB    65 LEU 1HD1 2HD1 3HD1  3.76
 &rst iat= -1, -1, r1= 4.57, r2= 5.07, r3= 5.07, r4= 5.57,
 igr1= 881, 882,   igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL H  62 VAL HB 3.15
 &rst iat=  892, 896, r1= 2.65, r2= 3.15,
 r3= 3.15, r4= 3.65,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    62 VAL H 3.69 
 &rst iat= 892, -1, r1= 3.93, r2= 4.43, r3= 4.43, r4= 4.93,
 igr1= 0,  igr2= 898, 899, 900,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    62 VAL H 3.31 
 &rst iat= 892, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL H  63 GLN H 3.31
 &rst iat=  892, 908, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL H  63 GLN HB3 4.90
 &rst iat=  892, 913, r1= 4.40, r2= 4.90,
 r3= 4.90, r4= 5.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL H  64 ALA H 4.51
 &rst iat=  892, 925, r1= 4.01, r2= 4.51,
 r3= 4.51, r4= 5.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    62 VAL H 5.26 
 &rst iat= 892, -1, r1= 5.82, r2= 6.32, r3= 6.32, r4= 6.82,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    62 VAL H 5.11 
 &rst iat= 892, -1, r1= 5.64, r2= 6.14, r3= 6.14, r4= 6.64,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    62 VAL HA 3.21 
 &rst iat= 894, -1, r1= 3.36, r2= 3.86, r3= 3.86, r4= 4.36,
 igr1= 0,  igr2= 898, 899, 900,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    62 VAL HA 3.23 
 &rst iat= 894, -1, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 0,  igr2= 902, 903, 904,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL HA  64 ALA H 4.69
 &rst iat=  894, 925, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    62 VAL HA 5.50 
 &rst iat= 894, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL HA  65 LEU H 3.69
 &rst iat=  894, 935, r1= 3.19, r2= 3.69,
 r3= 3.69, r4= 4.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HA  65 LEU HA 4.88
 &rst iat=  894, 937, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HA  65 LEU HB2 3.76
 &rst iat=  894, 939, r1= 3.26, r2= 3.76,
 r3= 3.76, r4= 4.26,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HA  65 LEU HB3 4.10
 &rst iat=  894, 940, r1= 3.60, r2= 4.10,
 r3= 4.10, r4= 4.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HA  65 LEU HG 3.81
 &rst iat=  894, 942, r1= 3.31, r2= 3.81,
 r3= 3.81, r4= 4.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    62 VAL HA 3.31 
 &rst iat= 894, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL HA  66 LEU H 4.43
 &rst iat=  894, 954, r1= 3.93, r2= 4.43,
 r3= 4.43, r4= 4.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HB  63 GLN H 3.56
 &rst iat=  896, 908, r1= 3.06, r2= 3.56,
 r3= 3.56, r4= 4.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL HB  63 GLN HA 5.01
 &rst iat=  896, 910, r1= 4.51, r2= 5.01,
 r3= 5.01, r4= 5.51,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    63 GLN H 4.17 
 &rst iat= -1, 908, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 898, 899, 900,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    63 GLN HA 4.37 
 &rst iat= -1, 910, r1= 4.75, r2= 5.25, r3= 5.25, r4= 5.75,
 igr1= 898, 899, 900,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    64 ALA H 5.24 
 &rst iat= -1, 925, r1= 5.79, r2= 6.29, r3= 6.29, r4= 6.79,
 igr1= 898, 899, 900,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    65 LEU H 4.50 
 &rst iat= -1, 935, r1= 4.90, r2= 5.40, r3= 5.40, r4= 5.90,
 igr1= 898, 899, 900,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    66 LEU H 4.65 
 &rst iat= -1, 954, r1= 5.08, r2= 5.58, r3= 5.58, r4= 6.08,
 igr1= 898, 899, 900,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG1 2HG1 3HG1    66 LEU 1HD1 2HD1 3HD1  3.37
 &rst iat= -1, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 898, 899, 900,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  62 VAL 1HG2 2HG2 3HG2    63 GLN H 4.27 
 &rst iat= -1, 908, r1= 4.63, r2= 5.13, r3= 5.13, r4= 5.63,
 igr1= 902, 903, 904,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN H  63 GLN HB2 3.48
 &rst iat=  908, 912, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  63 GLN HB3 3.54
 &rst iat=  908, 913, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN H  64 ALA H 3.52
 &rst iat=  908, 925, r1= 3.02, r2= 3.52,
 r3= 3.52, r4= 4.02,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    63 GLN H 4.58 
 &rst iat= 908, -1, r1= 5.00, r2= 5.50, r3= 5.50, r4= 6.00,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN H  65 LEU H 4.12
 &rst iat=  908, 935, r1= 3.62, r2= 4.12,
 r3= 4.12, r4= 4.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    63 GLN H 5.50 
 &rst iat= 908, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HA  63 GLN HE21 5.11
 &rst iat=  910, 920, r1= 4.61, r2= 5.11,
 r3= 5.11, r4= 5.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN HA 3.08 
 &rst iat= 910, -1, r1= 2.96, r2= 3.46, r3= 3.46, r4= 3.96,
 igr1= 0,  igr2= 915, 916,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HA  64 ALA HA 4.67
 &rst iat=  910, 927, r1= 4.17, r2= 4.67,
 r3= 4.67, r4= 5.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  65 LEU H 4.88
 &rst iat=  910, 935, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  66 LEU H 4.31
 &rst iat=  910, 954, r1= 3.81, r2= 4.31,
 r3= 4.31, r4= 4.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  66 LEU HB2 4.11
 &rst iat=  910, 958, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  66 LEU HB3 5.50
 &rst iat=  910, 959, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    63 GLN HA 3.85 
 &rst iat= 910, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HA  67 GLU H 4.38
 &rst iat=  910, 973, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HA  67 GLU HG2 5.50
 &rst iat=  910, 980, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    63 GLN HA 3.98 
 &rst iat= 910, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HB2  64 ALA H 4.20
 &rst iat=  912, 925, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    63 GLN HB2 5.32 
 &rst iat= 912, -1, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN HB3  63 GLN HE22 4.93
 &rst iat=  913, 921, r1= 4.43, r2= 4.93,
 r3= 4.93, r4= 5.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  63 GLN HB3  64 ALA H 3.43
 &rst iat=  913, 925, r1= 2.93, r2= 3.43,
 r3= 3.43, r4= 3.93,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    63 GLN HB3 3.98 
 &rst iat= 913, -1, r1= 4.28, r2= 4.78, r3= 4.78, r4= 5.28,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    63 GLN HE22 3.50 
 &rst iat= -1, 921, r1= 3.43, r2= 3.93, r3= 3.93, r4= 4.43,
 igr1= 915, 916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    64 ALA H 3.70 
 &rst iat= -1, 925, r1= 3.65, r2= 4.15, r3= 4.15, r4= 4.65,
 igr1= 915, 916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    64 ALA HA 3.46 
 &rst iat= -1, 927, r1= 3.38, r2= 3.88, r3= 3.88, r4= 4.38,
 igr1= 915, 916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    64 ALA 1HB 2HB 3HB  5.50
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 915, 916,   igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    66 LEU 1HD1 2HD1 3HD1  5.50
 &rst iat= -1, -1, r1= 6.91, r2= 7.41, r3= 7.41, r4= 7.91,
 igr1= 915, 916,   igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    73 ALA 1HB 2HB 3HB  3.61
 &rst iat= -1, -1, r1= 4.37, r2= 4.87, r3= 4.87, r4= 5.37,
 igr1= 915, 916,   igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  63 GLN 2HG 3HG    75 LEU H 4.58 
 &rst iat= -1, 1083, r1= 4.64, r2= 5.14, r3= 5.14, r4= 5.64,
 igr1= 915, 916,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    64 ALA H 2.88 
 &rst iat= 925, -1, r1= 2.96, r2= 3.46, r3= 3.46, r4= 3.96,
 igr1= 0,  igr2= 929, 930, 931,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA H  65 LEU HA 5.07
 &rst iat=  925, 937, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA HA  66 LEU H 5.02
 &rst iat=  927, 954, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA HA  67 GLU H 3.75
 &rst iat=  927, 973, r1= 3.25, r2= 3.75,
 r3= 3.75, r4= 4.25,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA HA  67 GLU HB3 3.39
 &rst iat=  927, 978, r1= 2.89, r2= 3.39,
 r3= 3.39, r4= 3.89,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA HA  68 GLY H 4.50
 &rst iat=  927, 988, r1= 4.00, r2= 4.50,
 r3= 4.50, r4= 5.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    65 LEU H 3.64 
 &rst iat= -1, 935, r1= 3.87, r2= 4.37, r3= 4.37, r4= 4.87,
 igr1= 929, 930, 931,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    65 LEU HA 5.13 
 &rst iat= -1, 937, r1= 5.66, r2= 6.16, r3= 6.16, r4= 6.66,
 igr1= 929, 930, 931,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    66 LEU H 5.46 
 &rst iat= -1, 954, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 929, 930, 931,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    67 GLU H 5.34 
 &rst iat= -1, 973, r1= 5.91, r2= 6.41, r3= 6.41, r4= 6.91,
 igr1= 929, 930, 931,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  64 ALA 1HB 2HB 3HB    68 GLY H 5.50 
 &rst iat= -1, 988, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 929, 930, 931,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU H  65 LEU HB2 3.29
 &rst iat=  935, 939, r1= 2.79, r2= 3.29,
 r3= 3.29, r4= 3.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU H  65 LEU HB3 3.51
 &rst iat=  935, 940, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU H  65 LEU HG 3.14
 &rst iat=  935, 942, r1= 2.64, r2= 3.14,
 r3= 3.14, r4= 3.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    65 LEU H 3.92 
 &rst iat= 935, -1, r1= 4.21, r2= 4.71, r3= 4.71, r4= 5.21,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD2 2HD2 3HD2    65 LEU H 3.84 
 &rst iat= 935, -1, r1= 4.11, r2= 4.61, r3= 4.61, r4= 5.11,
 igr1= 0,  igr2= 948, 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU H  66 LEU H 3.71
 &rst iat=  935, 954, r1= 3.21, r2= 3.71,
 r3= 3.71, r4= 4.21,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU H  66 LEU HA 5.47
 &rst iat=  935, 956, r1= 4.97, r2= 5.47,
 r3= 5.47, r4= 5.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU HA  65 LEU HG 3.33
 &rst iat=  937, 942, r1= 2.83, r2= 3.33,
 r3= 3.33, r4= 3.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    65 LEU HA 3.79 
 &rst iat= 937, -1, r1= 4.05, r2= 4.55, r3= 4.55, r4= 5.05,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD2 2HD2 3HD2    65 LEU HA 2.96 
 &rst iat= 937, -1, r1= 3.05, r2= 3.55, r3= 3.55, r4= 4.05,
 igr1= 0,  igr2= 948, 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU HA  68 GLY H 4.00
 &rst iat=  937, 988, r1= 3.50, r2= 4.00,
 r3= 4.00, r4= 4.50,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    65 LEU HB2 3.85 
 &rst iat= 939, -1, r1= 4.12, r2= 4.62, r3= 4.62, r4= 5.12,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD2 2HD2 3HD2    65 LEU HB2 3.95 
 &rst iat= 939, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 948, 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU HB2  66 LEU H 3.96
 &rst iat=  939, 954, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    65 LEU HB3 3.76 
 &rst iat= 940, -1, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 0,  igr2= 944, 945, 946,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD2 2HD2 3HD2    65 LEU HB3 3.72 
 &rst iat= 940, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 948, 949, 950,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU HB3  66 LEU H 3.36
 &rst iat=  940, 954, r1= 2.86, r2= 3.36,
 r3= 3.36, r4= 3.86,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  65 LEU 1HD1 2HD1 3HD1    66 LEU H 5.03 
 &rst iat= -1, 954, r1= 5.54, r2= 6.04, r3= 6.04, r4= 6.54,
 igr1= 944, 945, 946,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  65 LEU 1HD2 2HD2 3HD2    66 LEU H 5.32 
 &rst iat= -1, 954, r1= 5.89, r2= 6.39, r3= 6.39, r4= 6.89,
 igr1= 948, 949, 950,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU H  66 LEU HB2 3.67
 &rst iat=  954, 958, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU H  66 LEU HB3 3.78
 &rst iat=  954, 959, r1= 3.28, r2= 3.78,
 r3= 3.78, r4= 4.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU H  66 LEU HG 3.96
 &rst iat=  954, 961, r1= 3.46, r2= 3.96,
 r3= 3.96, r4= 4.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    66 LEU H 4.34 
 &rst iat= 954, -1, r1= 4.71, r2= 5.21, r3= 5.21, r4= 5.71,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD2 2HD2 3HD2    66 LEU H 4.23 
 &rst iat= 954, -1, r1= 4.58, r2= 5.08, r3= 5.08, r4= 5.58,
 igr1= 0,  igr2= 967, 968, 969,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU H  67 GLU H 3.82
 &rst iat=  954, 973, r1= 3.32, r2= 3.82,
 r3= 3.82, r4= 4.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    66 LEU H 5.17 
 &rst iat= 954, -1, r1= 5.71, r2= 6.21, r3= 6.21, r4= 6.71,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU HA  66 LEU HG 3.57
 &rst iat=  956, 961, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    66 LEU HA 4.32 
 &rst iat= 956, -1, r1= 4.69, r2= 5.19, r3= 5.19, r4= 5.69,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD2 2HD2 3HD2    66 LEU HA 3.31 
 &rst iat= 956, -1, r1= 3.48, r2= 3.98, r3= 3.98, r4= 4.48,
 igr1= 0,  igr2= 967, 968, 969,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    66 LEU HB2 3.99 
 &rst iat= 958, -1, r1= 4.29, r2= 4.79, r3= 4.79, r4= 5.29,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD2 2HD2 3HD2    66 LEU HB2 4.00 
 &rst iat= 958, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 967, 968, 969,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU HB2  67 GLU H 4.20
 &rst iat=  958, 973, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    66 LEU HB3 3.38 
 &rst iat= 959, -1, r1= 3.56, r2= 4.06, r3= 4.06, r4= 4.56,
 igr1= 0,  igr2= 963, 964, 965,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU HB3  67 GLU H 4.22
 &rst iat=  959, 973, r1= 3.72, r2= 4.22,
 r3= 4.22, r4= 4.72,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    66 LEU HB3 4.06 
 &rst iat= 959, -1, r1= 4.38, r2= 4.88, r3= 4.88, r4= 5.38,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU HG  67 GLU H 5.24
 &rst iat=  961, 973, r1= 4.74, r2= 5.24,
 r3= 5.24, r4= 5.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    67 GLU H 5.19 
 &rst iat= -1, 973, r1= 5.73, r2= 6.23, r3= 6.23, r4= 6.73,
 igr1= 963, 964, 965,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  66 LEU 1HD1 2HD1 3HD1    73 ALA 1HB 2HB 3HB  3.79
 &rst iat= -1, -1, r1= 4.97, r2= 5.47, r3= 5.47, r4= 5.97,
 igr1= 963, 964, 965,   igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 GLU H  67 GLU HB2 3.92
 &rst iat=  973, 977, r1= 3.42, r2= 3.92,
 r3= 3.92, r4= 4.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU H  67 GLU HG2 4.06
 &rst iat=  973, 980, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU H  67 GLU HG3 4.32
 &rst iat=  973, 981, r1= 3.82, r2= 4.32,
 r3= 4.32, r4= 4.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU H  68 GLY H 3.73
 &rst iat=  973, 988, r1= 3.23, r2= 3.73,
 r3= 3.73, r4= 4.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    67 GLU H 4.74 
 &rst iat= 973, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 GLU HA  67 GLU HG2 3.99
 &rst iat=  975, 980, r1= 3.49, r2= 3.99,
 r3= 3.99, r4= 4.49,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HA  67 GLU HG3 3.77
 &rst iat=  975, 981, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HA  69 THR H 4.35
 &rst iat=  975, 995, r1= 3.85, r2= 4.35,
 r3= 4.35, r4= 4.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HA  70 GLY H 4.08
 &rst iat=  975, 1009, r1= 3.58, r2= 4.08,
 r3= 4.08, r4= 4.58,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HA  71 ARG H 4.20
 &rst iat=  975, 1016, r1= 3.70, r2= 4.20,
 r3= 4.20, r4= 4.70,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HA  73 ALA H 5.38
 &rst iat=  975, 1057, r1= 4.88, r2= 5.38,
 r3= 5.38, r4= 5.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HB2  68 GLY H 4.38
 &rst iat=  977, 988, r1= 3.88, r2= 4.38,
 r3= 4.38, r4= 4.88,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HB3  68 GLY H 4.55
 &rst iat=  978, 988, r1= 4.05, r2= 4.55,
 r3= 4.55, r4= 5.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HG2  68 GLY H 5.09
 &rst iat=  980, 988, r1= 4.59, r2= 5.09,
 r3= 5.09, r4= 5.59,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HG2  72 GLN HA 5.50
 &rst iat=  980, 1042, r1= 5.00, r2= 5.50,
 r3= 5.50, r4= 6.00,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HG2  73 ALA H 4.66
 &rst iat=  980, 1057, r1= 4.16, r2= 4.66,
 r3= 4.66, r4= 5.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    67 GLU HG2 4.41 
 &rst iat= 980, -1, r1= 4.80, r2= 5.30, r3= 5.30, r4= 5.80,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  67 GLU HG3  72 GLN HA 5.05
 &rst iat=  981, 1042, r1= 4.55, r2= 5.05,
 r3= 5.05, r4= 5.55,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  67 GLU HG3  73 ALA H 4.06
 &rst iat=  981, 1057, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    67 GLU HG3 4.29 
 &rst iat= 981, -1, r1= 4.65, r2= 5.15, r3= 5.15, r4= 5.65,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 GLY H  69 THR H 3.74
 &rst iat=  988, 995, r1= 3.24, r2= 3.74,
 r3= 3.74, r4= 4.24,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    68 GLY H 5.50 
 &rst iat= 988, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  68 GLY H  70 GLY H 4.92
 &rst iat=  988, 1009, r1= 4.42, r2= 4.92,
 r3= 4.92, r4= 5.42,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 GLY HA2  70 GLY H 4.79
 &rst iat=  990, 1009, r1= 4.29, r2= 4.79,
 r3= 4.79, r4= 5.29,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  68 GLY HA3  70 GLY H 4.70
 &rst iat=  991, 1009, r1= 4.20, r2= 4.70,
 r3= 4.70, r4= 5.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    69 THR H 3.72 
 &rst iat= 995, -1, r1= 3.97, r2= 4.47, r3= 4.47, r4= 4.97,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 THR H  70 GLY H 3.49
 &rst iat=  995, 1009, r1= 2.99, r2= 3.49,
 r3= 3.49, r4= 3.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR H  70 GLY HA2 4.96
 &rst iat=  995, 1011, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR H  71 ARG H 4.89
 &rst iat=  995, 1016, r1= 4.39, r2= 4.89,
 r3= 4.89, r4= 5.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG 2HG 3HG    69 THR H 5.24 
 &rst iat= 995, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 1023, 1024,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 THR HA  69 THR HB 2.96
 &rst iat=  997, 999, r1= 2.46, r2= 2.96,
 r3= 2.96, r4= 3.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    69 THR HA 3.34 
 &rst iat= 997, -1, r1= 3.51, r2= 4.01, r3= 4.01, r4= 4.51,
 igr1= 0,  igr2= 1001, 1002, 1003,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 THR HB  70 GLY H 4.56
 &rst iat=  999, 1009, r1= 4.06, r2= 4.56,
 r3= 4.56, r4= 5.06,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR HB  71 ARG HD2 5.10
 &rst iat=  999, 1026, r1= 4.60, r2= 5.10,
 r3= 5.10, r4= 5.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    70 GLY H 4.39 
 &rst iat= -1, 1009, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 1001, 1002, 1003,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  69 THR 1HG2 2HG2 3HG2    71 ARG H 5.50 
 &rst iat= -1, 1016, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1001, 1002, 1003,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  70 GLY H  71 ARG H 3.32
 &rst iat=  1009, 1016, r1= 2.82, r2= 3.32,
 r3= 3.32, r4= 3.82,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  70 GLY H  71 ARG HG3 5.07
 &rst iat=  1009, 1024, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG 2HG 3HG    70 GLY H 5.50 
 &rst iat= 1009, -1, r1= 5.67, r2= 6.17, r3= 6.17, r4= 6.67,
 igr1= 0,  igr2= 1023, 1024,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 ARG H  71 ARG HB3 3.89
 &rst iat=  1016, 1021, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG H  71 ARG HD3 5.07
 &rst iat=  1016, 1027, r1= 4.57, r2= 5.07,
 r3= 5.07, r4= 5.57,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG H  71 ARG HG3 3.86
 &rst iat=  1016, 1024, r1= 3.36, r2= 3.86,
 r3= 3.86, r4= 4.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG 2HB 3HB    71 ARG H 3.90 
 &rst iat= 1016, -1, r1= 3.88, r2= 4.38, r3= 4.38, r4= 4.88,
 igr1= 0,  igr2= 1020, 1021,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 ARG 2HG 3HG    71 ARG H 4.02 
 &rst iat= 1016, -1, r1= 4.01, r2= 4.51, r3= 4.51, r4= 5.01,
 igr1= 0,  igr2= 1023, 1024,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 ARG H  72 GLN H 4.37
 &rst iat=  1016, 1040, r1= 3.87, r2= 4.37,
 r3= 4.37, r4= 4.87,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG HA  72 GLN H 2.98
 &rst iat=  1018, 1040, r1= 2.48, r2= 2.98,
 r3= 2.98, r4= 3.48,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG HB3  72 GLN H 3.59
 &rst iat=  1021, 1040, r1= 3.09, r2= 3.59,
 r3= 3.59, r4= 4.09,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  71 ARG 2HB 3HB    72 GLN H 4.32 
 &rst iat= -1, 1040, r1= 4.35, r2= 4.85, r3= 4.85, r4= 5.35,
 igr1= 1020, 1021,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  71 ARG 2HG 3HG    72 GLN H 4.47 
 &rst iat= -1, 1040, r1= 4.52, r2= 5.02, r3= 5.02, r4= 5.52,
 igr1= 1023, 1024,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN H  72 GLN HB2 3.03
 &rst iat=  1040, 1044, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN 2HG 3HG    72 GLN H 4.22 
 &rst iat= 1040, -1, r1= 4.24, r2= 4.74, r3= 4.74, r4= 5.24,
 igr1= 0,  igr2= 1047, 1048,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN H  73 ALA H 4.48
 &rst iat=  1040, 1057, r1= 3.98, r2= 4.48,
 r3= 4.48, r4= 4.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN HA  72 GLN HB3 3.18
 &rst iat=  1042, 1045, r1= 2.68, r2= 3.18,
 r3= 3.18, r4= 3.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN 2HG 3HG    72 GLN HA 2.95 
 &rst iat= 1042, -1, r1= 2.81, r2= 3.31, r3= 3.31, r4= 3.81,
 igr1= 0,  igr2= 1047, 1048,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN HA  73 ALA H 2.82
 &rst iat=  1042, 1057, r1= 2.32, r2= 2.82,
 r3= 2.82, r4= 3.32,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN HA  73 ALA HA 4.78
 &rst iat=  1042, 1059, r1= 4.28, r2= 4.78,
 r3= 4.78, r4= 5.28,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    72 GLN HA 4.39 
 &rst iat= 1042, -1, r1= 4.77, r2= 5.27, r3= 5.27, r4= 5.77,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN HB2  72 GLN HE21 5.18
 &rst iat=  1044, 1052, r1= 4.68, r2= 5.18,
 r3= 5.18, r4= 5.68,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN HB2  73 ALA H 3.89
 &rst iat=  1044, 1057, r1= 3.39, r2= 3.89,
 r3= 3.89, r4= 4.39,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN HB3  73 ALA H 4.42
 &rst iat=  1045, 1057, r1= 3.92, r2= 4.42,
 r3= 4.42, r4= 4.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  72 GLN HE21  73 ALA H 5.02
 &rst iat=  1052, 1057, r1= 4.52, r2= 5.02,
 r3= 5.02, r4= 5.52,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    72 GLN HE21 5.46 
 &rst iat= 1052, -1, r1= 6.06, r2= 6.56, r3= 6.56, r4= 7.06,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    72 GLN HE21 4.90 
 &rst iat= 1052, -1, r1= 5.38, r2= 5.88, r3= 5.88, r4= 6.38,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    72 GLN HE22 5.15 
 &rst iat= 1053, -1, r1= 5.68, r2= 6.18, r3= 6.18, r4= 6.68,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN 2HG 3HG    72 GLN HE21 3.82 
 &rst iat= -1, 1052, r1= 3.79, r2= 4.29, r3= 4.29, r4= 4.79,
 igr1= 1047, 1048,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  72 GLN 2HG 3HG    73 ALA H 4.60 
 &rst iat= -1, 1057, r1= 4.66, r2= 5.16, r3= 5.16, r4= 5.66,
 igr1= 1047, 1048,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    73 ALA H 3.54 
 &rst iat= 1057, -1, r1= 3.75, r2= 4.25, r3= 4.25, r4= 4.75,
 igr1= 0,  igr2= 1061, 1062, 1063,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ALA H  74 VAL H 4.73
 &rst iat=  1057, 1067, r1= 4.23, r2= 4.73,
 r3= 4.73, r4= 5.23,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    73 ALA H 5.38 
 &rst iat= 1057, -1, r1= 5.96, r2= 6.46, r3= 6.46, r4= 6.96,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ALA HA  74 VAL H 2.95
 &rst iat=  1059, 1067, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  73 ALA HA  74 VAL HB 4.45
 &rst iat=  1059, 1071, r1= 3.95, r2= 4.45,
 r3= 4.45, r4= 4.95,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    73 ALA HA 4.38 
 &rst iat= 1059, -1, r1= 4.76, r2= 5.26, r3= 5.26, r4= 5.76,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  73 ALA 1HB 2HB 3HB    74 VAL H 3.76 
 &rst iat= -1, 1067, r1= 4.02, r2= 4.52, r3= 4.52, r4= 5.02,
 igr1= 1061, 1062, 1063,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL H  74 VAL HB 3.48
 &rst iat=  1067, 1071, r1= 2.98, r2= 3.48,
 r3= 3.48, r4= 3.98,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    74 VAL H 3.52 
 &rst iat= 1067, -1, r1= 3.73, r2= 4.23, r3= 4.23, r4= 4.73,
 igr1= 0,  igr2= 1077, 1078, 1079,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL H  75 LEU H 4.60
 &rst iat=  1067, 1083, r1= 4.10, r2= 4.60,
 r3= 4.60, r4= 5.10,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG1 2HG1 3HG1    74 VAL HA 3.66 
 &rst iat= 1069, -1, r1= 3.90, r2= 4.40, r3= 4.40, r4= 4.90,
 igr1= 0,  igr2= 1073, 1074, 1075,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL HB  75 LEU H 4.29
 &rst iat=  1071, 1083, r1= 3.79, r2= 4.29,
 r3= 4.29, r4= 4.79,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  74 VAL 1HG1 2HG1 3HG1    76 LYS 2HG 3HG  3.73
 &rst iat= -1, -1, r1= 4.53, r2= 5.03, r3= 5.03, r4= 5.53,
 igr1= 1073, 1074, 1075,   igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  74 VAL 1HG2 2HG2 3HG2    75 LEU H 3.97 
 &rst iat= -1, 1083, r1= 4.27, r2= 4.77, r3= 4.77, r4= 5.27,
 igr1= 1077, 1078, 1079,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU H  75 LEU HB2 3.35
 &rst iat=  1083, 1087, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU H  75 LEU HB3 3.55
 &rst iat=  1083, 1088, r1= 3.05, r2= 3.55,
 r3= 3.55, r4= 4.05,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    75 LEU H 4.12 
 &rst iat= 1083, -1, r1= 4.45, r2= 4.95, r3= 4.95, r4= 5.45,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    75 LEU H 5.49 
 &rst iat= 1083, -1, r1= 6.09, r2= 6.59, r3= 6.59, r4= 7.09,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU HA  75 LEU HG 3.83
 &rst iat=  1085, 1090, r1= 3.33, r2= 3.83,
 r3= 3.83, r4= 4.33,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    75 LEU HA 4.17 
 &rst iat= 1085, -1, r1= 4.51, r2= 5.01, r3= 5.01, r4= 5.51,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    75 LEU HA 3.28 
 &rst iat= 1085, -1, r1= 3.44, r2= 3.94, r3= 3.94, r4= 4.44,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU HA  76 LYS H 3.10
 &rst iat=  1085, 1102, r1= 2.60, r2= 3.10,
 r3= 3.10, r4= 3.60,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  76 LYS HA 4.40
 &rst iat=  1085, 1104, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HA  77 GLY H 4.33
 &rst iat=  1085, 1124, r1= 3.83, r2= 4.33,
 r3= 4.33, r4= 4.83,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    75 LEU HB2 3.50 
 &rst iat= 1087, -1, r1= 3.70, r2= 4.20, r3= 4.20, r4= 4.70,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    75 LEU HB2 3.51 
 &rst iat= 1087, -1, r1= 3.72, r2= 4.22, r3= 4.22, r4= 4.72,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    75 LEU HB3 3.61 
 &rst iat= 1088, -1, r1= 3.84, r2= 4.34, r3= 4.34, r4= 4.84,
 igr1= 0,  igr2= 1092, 1093, 1094,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    75 LEU HB3 3.74 
 &rst iat= 1088, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 1096, 1097, 1098,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU HG  76 LYS H 4.11
 &rst iat=  1090, 1102, r1= 3.61, r2= 4.11,
 r3= 4.11, r4= 4.61,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  75 LEU HG  77 GLY H 4.25
 &rst iat=  1090, 1124, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 GLY 2HA 3HA    75 LEU HG 4.49 
 &rst iat= 1090, -1, r1= 4.54, r2= 5.04, r3= 5.04, r4= 5.54,
 igr1= 0,  igr2= 1126, 1127,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    76 LYS H 5.35 
 &rst iat= -1, 1102, r1= 5.93, r2= 6.43, r3= 6.43, r4= 6.93,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    77 GLY H 4.84 
 &rst iat= -1, 1124, r1= 5.31, r2= 5.81, r3= 5.81, r4= 6.31,
 igr1= 1092, 1093, 1094,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD1 2HD1 3HD1    78 MET 1HE 2HE 3HE  3.97
 &rst iat= -1, -1, r1= 5.23, r2= 5.73, r3= 5.73, r4= 6.23,
 igr1= 1092, 1093, 1094,   igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    76 LYS H 4.00 
 &rst iat= -1, 1102, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 1096, 1097, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    77 GLY H 4.07 
 &rst iat= -1, 1124, r1= 4.39, r2= 4.89, r3= 4.89, r4= 5.39,
 igr1= 1096, 1097, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    77 GLY 2HA 3HA  3.79
 &rst iat= -1, -1, r1= 4.61, r2= 5.11, r3= 5.11, r4= 5.61,
 igr1= 1096, 1097, 1098,   igr2= 1126, 1127,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    78 MET H 5.50 
 &rst iat= -1, 1131, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 1096, 1097, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    78 MET HA 5.28 
 &rst iat= -1, 1133, r1= 5.84, r2= 6.34, r3= 6.34, r4= 6.84,
 igr1= 1096, 1097, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    78 MET HG3 5.05 
 &rst iat= -1, 1139, r1= 5.56, r2= 6.06, r3= 6.06, r4= 6.56,
 igr1= 1096, 1097, 1098,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  75 LEU 1HD2 2HD2 3HD2    78 MET 1HE 2HE 3HE  5.07
 &rst iat= -1, -1, r1= 6.81, r2= 7.31, r3= 7.31, r4= 7.81,
 igr1= 1096, 1097, 1098,   igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS H  76 LYS HB2 3.93
 &rst iat=  1102, 1106, r1= 3.43, r2= 3.93,
 r3= 3.93, r4= 4.43,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS H  76 LYS HB3 3.70
 &rst iat=  1102, 1107, r1= 3.20, r2= 3.70,
 r3= 3.70, r4= 4.20,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HD 3HD    76 LYS H 4.23 
 &rst iat= 1102, -1, r1= 4.25, r2= 4.75, r3= 4.75, r4= 5.25,
 igr1= 0,  igr2= 1112, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    76 LYS H 4.24 
 &rst iat= 1102, -1, r1= 4.26, r2= 4.76, r3= 4.76, r4= 5.26,
 igr1= 0,  igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS H  77 GLY H 3.46
 &rst iat=  1102, 1124, r1= 2.96, r2= 3.46,
 r3= 3.46, r4= 3.96,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HD 3HD    76 LYS HA 3.27 
 &rst iat= 1104, -1, r1= 3.17, r2= 3.67, r3= 3.67, r4= 4.17,
 igr1= 0,  igr2= 1112, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HE 3HE    76 LYS HA 4.54 
 &rst iat= 1104, -1, r1= 4.60, r2= 5.10, r3= 5.10, r4= 5.60,
 igr1= 0,  igr2= 1115, 1116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    76 LYS HA 3.22 
 &rst iat= 1104, -1, r1= 3.11, r2= 3.61, r3= 3.61, r4= 4.11,
 igr1= 0,  igr2= 1109, 1110,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS HA  77 GLY H 3.51
 &rst iat=  1104, 1124, r1= 3.01, r2= 3.51,
 r3= 3.51, r4= 4.01,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HE 3HE    76 LYS HB2 4.28 
 &rst iat= 1106, -1, r1= 4.30, r2= 4.80, r3= 4.80, r4= 5.30,
 igr1= 0,  igr2= 1115, 1116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS HB2  77 GLY H 4.06
 &rst iat=  1106, 1124, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HE 3HE    76 LYS HB3 4.73 
 &rst iat= 1107, -1, r1= 4.81, r2= 5.31, r3= 5.31, r4= 5.81,
 igr1= 0,  igr2= 1115, 1116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS HB3  77 GLY H 3.91
 &rst iat=  1107, 1124, r1= 3.41, r2= 3.91,
 r3= 3.91, r4= 4.41,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  76 LYS 2HD 3HD    77 GLY H 5.27 
 &rst iat= -1, 1124, r1= 5.42, r2= 5.92, r3= 5.92, r4= 6.42,
 igr1= 1112, 1113,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    76 LYS 2HD 3HD  2.56
 &rst iat= -1, -1, r1= 2.73, r2= 3.23, r3= 3.23, r4= 3.73,
 igr1= 1109, 1110,   igr2= 1112, 1113,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    76 LYS 2HE 3HE  3.46
 &rst iat= -1, -1, r1= 3.86, r2= 4.36, r3= 4.36, r4= 4.86,
 igr1= 1109, 1110,   igr2= 1115, 1116,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  76 LYS 2HG 3HG    77 GLY H 4.40 
 &rst iat= -1, 1124, r1= 4.44, r2= 4.94, r3= 4.94, r4= 5.44,
 igr1= 1109, 1110,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 GLY H  78 MET H 4.30
 &rst iat=  1124, 1131, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  77 GLY 2HA 3HA    78 MET H 2.72 
 &rst iat= -1, 1131, r1= 2.55, r2= 3.05, r3= 3.05, r4= 3.55,
 igr1= 1126, 1127,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  77 GLY 2HA 3HA    78 MET 1HE 2HE 3HE  4.22
 &rst iat= -1, -1, r1= 5.19, r2= 5.69, r3= 5.69, r4= 6.19,
 igr1= 1126, 1127,   igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 MET H  78 MET HB2 3.63
 &rst iat=  1131, 1135, r1= 3.13, r2= 3.63,
 r3= 3.63, r4= 4.13,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET H  78 MET HB3 3.54
 &rst iat=  1131, 1136, r1= 3.04, r2= 3.54,
 r3= 3.54, r4= 4.04,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET H  78 MET HG2 4.49
 &rst iat=  1131, 1138, r1= 3.99, r2= 4.49,
 r3= 4.49, r4= 4.99,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET H  78 MET HG3 4.14
 &rst iat=  1131, 1139, r1= 3.64, r2= 4.14,
 r3= 4.14, r4= 4.64,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET H  79 GLY H 4.47
 &rst iat=  1131, 1148, r1= 3.97, r2= 4.47,
 r3= 4.47, r4= 4.97,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET HA  78 MET HG3 4.25
 &rst iat=  1133, 1139, r1= 3.75, r2= 4.25,
 r3= 4.25, r4= 4.75,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET 1HE 2HE 3HE    78 MET HA 4.05 
 &rst iat= 1133, -1, r1= 4.36, r2= 4.86, r3= 4.86, r4= 5.36,
 igr1= 0,  igr2= 1142, 1143, 1144,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  78 MET HA  79 GLY H 2.86
 &rst iat=  1133, 1148, r1= 2.36, r2= 2.86,
 r3= 2.86, r4= 3.36,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET HB2  79 GLY H 4.58
 &rst iat=  1135, 1148, r1= 4.08, r2= 4.58,
 r3= 4.58, r4= 5.08,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET HB3  79 GLY H 4.69
 &rst iat=  1136, 1148, r1= 4.19, r2= 4.69,
 r3= 4.69, r4= 5.19,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  78 MET HG3  79 GLY H 4.94
 &rst iat=  1139, 1148, r1= 4.44, r2= 4.94,
 r3= 4.94, r4= 5.44,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY HA2  80 SER H 3.12
 &rst iat=  1150, 1155, r1= 2.62, r2= 3.12,
 r3= 3.12, r4= 3.62,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  79 GLY HA3  80 SER H 2.81
 &rst iat=  1151, 1155, r1= 2.31, r2= 2.81,
 r3= 2.81, r4= 3.31,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 SER H  80 SER HB2 3.24
 &rst iat=  1155, 1159, r1= 2.74, r2= 3.24,
 r3= 3.24, r4= 3.74,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 SER H  80 SER HB3 3.84
 &rst iat=  1155, 1160, r1= 3.34, r2= 3.84,
 r3= 3.84, r4= 4.34,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 SER H  81 GLY H 3.57
 &rst iat=  1155, 1166, r1= 3.07, r2= 3.57,
 r3= 3.57, r4= 4.07,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 SER HA  81 GLY H 3.35
 &rst iat=  1157, 1166, r1= 2.85, r2= 3.35,
 r3= 3.35, r4= 3.85,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  80 SER HB3  81 GLY H 4.40
 &rst iat=  1160, 1166, r1= 3.90, r2= 4.40,
 r3= 4.40, r4= 4.90,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 GLY 2HA 3HA    81 GLY H 2.84 
 &rst iat= 1166, -1, r1= 2.69, r2= 3.19, r3= 3.19, r4= 3.69,
 igr1= 0,  igr2= 1168, 1169,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  81 GLY H  82 GLN H 3.80
 &rst iat=  1166, 1173, r1= 3.30, r2= 3.80,
 r3= 3.80, r4= 4.30,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  81 GLY 2HA 3HA    82 GLN H 2.91 
 &rst iat= -1, 1173, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 1168, 1169,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 GLN H  82 GLN HB2 3.31
 &rst iat=  1173, 1177, r1= 2.81, r2= 3.31,
 r3= 3.31, r4= 3.81,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 GLN H  82 GLN HB3 3.88
 &rst iat=  1173, 1178, r1= 3.38, r2= 3.88,
 r3= 3.88, r4= 4.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 GLN 2HG 3HG    82 GLN H 3.91 
 &rst iat= 1173, -1, r1= 3.89, r2= 4.39, r3= 4.39, r4= 4.89,
 igr1= 0,  igr2= 1180, 1181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 GLN 2HG 3HG    82 GLN HB2 2.49 
 &rst iat= 1177, -1, r1= 2.29, r2= 2.79, r3= 2.79, r4= 3.29,
 igr1= 0,  igr2= 1180, 1181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 GLN HB2  83 LEU H 3.67
 &rst iat=  1177, 1190, r1= 3.17, r2= 3.67,
 r3= 3.67, r4= 4.17,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 GLN HB3  82 GLN HE21 4.96
 &rst iat=  1178, 1185, r1= 4.46, r2= 4.96,
 r3= 4.96, r4= 5.46,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 GLN 2HG 3HG    82 GLN HB3 2.40 
 &rst iat= 1178, -1, r1= 2.19, r2= 2.69, r3= 2.69, r4= 3.19,
 igr1= 0,  igr2= 1180, 1181,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 GLN HB3  83 LEU H 4.06
 &rst iat=  1178, 1190, r1= 3.56, r2= 4.06,
 r3= 4.06, r4= 4.56,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  82 GLN 2HG 3HG    82 GLN HE21 3.83 
 &rst iat= -1, 1185, r1= 3.80, r2= 4.30, r3= 4.30, r4= 4.80,
 igr1= 1180, 1181,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  82 GLN 2HG 3HG    83 LEU H 4.93 
 &rst iat= -1, 1190, r1= 5.03, r2= 5.53, r3= 5.53, r4= 6.03,
 igr1= 1180, 1181,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU H  83 LEU HA 2.90
 &rst iat=  1190, 1192, r1= 2.40, r2= 2.90,
 r3= 2.90, r4= 3.40,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB2 3.21
 &rst iat=  1190, 1194, r1= 2.71, r2= 3.21,
 r3= 3.21, r4= 3.71,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HB3 3.77
 &rst iat=  1190, 1195, r1= 3.27, r2= 3.77,
 r3= 3.77, r4= 4.27,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU H  83 LEU HG 4.34
 &rst iat=  1190, 1197, r1= 3.84, r2= 4.34,
 r3= 4.34, r4= 4.84,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 1HD1 2HD1 3HD1    83 LEU H 5.50 
 &rst iat= 1190, -1, r1= 6.11, r2= 6.61, r3= 6.61, r4= 7.11,
 igr1= 0,  igr2= 1199, 1200, 1201,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  83 LEU HG 2.95
 &rst iat=  1192, 1197, r1= 2.45, r2= 2.95,
 r3= 2.95, r4= 3.45,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 1HD2 2HD2 3HD2    83 LEU HA 3.41 
 &rst iat= 1192, -1, r1= 3.60, r2= 4.10, r3= 4.10, r4= 4.60,
 igr1= 0,  igr2= 1203, 1204, 1205,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU HA  84 GLN H 3.03
 &rst iat=  1192, 1209, r1= 2.53, r2= 3.03,
 r3= 3.03, r4= 3.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  83 LEU 1HD2 2HD2 3HD2    83 LEU HB2 4.21 
 &rst iat= 1194, -1, r1= 4.56, r2= 5.06, r3= 5.06, r4= 5.56,
 igr1= 0,  igr2= 1203, 1204, 1205,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  83 LEU 1HD1 2HD1 3HD1    84 GLN H 4.78 
 &rst iat= -1, 1209, r1= 5.24, r2= 5.74, r3= 5.74, r4= 6.24,
 igr1= 1199, 1200, 1201,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLN H  84 GLN HG2 4.88
 &rst iat=  1209, 1216, r1= 4.38, r2= 4.88,
 r3= 4.88, r4= 5.38,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN H  84 GLN HG3 4.23
 &rst iat=  1209, 1217, r1= 3.73, r2= 4.23,
 r3= 4.23, r4= 4.73,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN 2HB 3HB    84 GLN H 4.00 
 &rst iat= 1209, -1, r1= 3.99, r2= 4.49, r3= 4.49, r4= 4.99,
 igr1= 0,  igr2= 1213, 1214,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLN H  85 ASN H 4.30
 &rst iat=  1209, 1226, r1= 3.80, r2= 4.30,
 r3= 4.30, r4= 4.80,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN HA  84 GLN HG3 3.66
 &rst iat=  1211, 1217, r1= 3.16, r2= 3.66,
 r3= 3.66, r4= 4.16,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN 2HB 3HB    84 GLN HA 2.91 
 &rst iat= 1211, -1, r1= 2.77, r2= 3.27, r3= 3.27, r4= 3.77,
 igr1= 0,  igr2= 1213, 1214,   rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  84 GLN HA  85 ASN H 3.42
 &rst iat=  1211, 1226, r1= 2.92, r2= 3.42,
 r3= 3.42, r4= 3.92,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN HG3  85 ASN HA 4.03
 &rst iat=  1217, 1228, r1= 3.53, r2= 4.03,
 r3= 4.03, r4= 4.53,
 rk2= 0.00, rk3= 50.00, ir6=1, &end
#
#  84 GLN 2HB 3HB    84 GLN HG2 3.00 
 &rst iat= -1, 1216, r1= 2.87, r2= 3.37, r3= 3.37, r4= 3.87,
 igr1= 1213, 1214,   igr2= 0, rk2= 0.00, rk3= 50.000, ir6=1, &end
#
#  (1 MET N) - (1 MET CA) - (1 MET CB) - (1 MET CG)  CHI1
 &rst iat=  1, 5, 7, 10, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (1 MET N) - (1 MET CA) - (1 MET CB) - (1 MET CG)  CHI1
 &rst iat=  1, 5, 7, 10, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (4 ASP N) - (4 ASP CA) - (4 ASP CB) - (4 ASP CG)  CHI1
 &rst iat=  41, 43, 45, 48, 
 r1= -255.0, r2= -225.0, r3= 115.0, r4= 145.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (7 ASN N) - (7 ASN CA) - (7 ASN CB) - (7 ASN CG)  CHI1
 &rst iat=  71, 73, 75, 78, 
 r1= -255.0, r2= -225.0, r3= 115.0, r4= 145.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (8 GLN N) - (8 GLN CA) - (8 GLN CB) - (8 GLN CG)  CHI1
 &rst iat=  85, 87, 89, 92, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (8 GLN N) - (8 GLN CA) - (8 GLN CB) - (8 GLN CG)  CHI1
 &rst iat=  85, 87, 89, 92, 
 r1= -175.0, r2= -145.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (10 THR N) - (10 THR CA) - (10 THR CB) - (10 THR OG1)  CHI1
 &rst iat=  109, 111, 113, 119, 
 r1= 125.0, r2= 155.0, r3= 195.0, r4= 225.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU N) - (11 LEU CA) - (11 LEU CB) - (11 LEU CG)  CHI1
 &rst iat=  123, 125, 127, 130, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU N) - (11 LEU CA) - (11 LEU CB) - (11 LEU CG)  CHI1
 &rst iat=  123, 125, 127, 130, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU N) - (11 LEU CA) - (11 LEU CB) - (11 LEU CG)  CHI1
 &rst iat=  123, 125, 127, 130, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU CA) - (11 LEU CB) - (11 LEU CG) - (11 LEU CD1)  CHI2
 &rst iat=  125, 127, 130, 132, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU CA) - (11 LEU CB) - (11 LEU CG) - (11 LEU CD1)  CHI2
 &rst iat=  125, 127, 130, 132, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU CA) - (11 LEU CB) - (11 LEU CG) - (11 LEU CD1)  CHI2
 &rst iat=  125, 127, 130, 132, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (12 CYS N) - (12 CYS CA) - (12 CYS CB) - (12 CYS SG)  CHI1
 &rst iat=  142, 144, 146, 149, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (12 CYS N) - (12 CYS CA) - (12 CYS CB) - (12 CYS SG)  CHI1
 &rst iat=  142, 144, 146, 149, 
 r1= -235.0, r2= -205.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 THR N) - (13 THR CA) - (13 THR CB) - (13 THR OG1)  CHI1
 &rst iat=  153, 155, 157, 163, 
 r1= -235.0, r2= -205.0, r3= 35.0, r4= 65.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 THR N) - (13 THR CA) - (13 THR CB) - (13 THR OG1)  CHI1
 &rst iat=  153, 155, 157, 163, 
 r1= -105.0, r2= -75.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (14 LEU N) - (14 LEU CA) - (14 LEU CB) - (14 LEU CG)  CHI1
 &rst iat=  167, 169, 171, 174, 
 r1= -255.0, r2= -225.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 GLU N) - (15 GLU CA) - (15 GLU CB) - (15 GLU CG)  CHI1
 &rst iat=  186, 188, 190, 193, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 GLU N) - (15 GLU CA) - (15 GLU CB) - (15 GLU CG)  CHI1
 &rst iat=  186, 188, 190, 193, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 PHE N) - (16 PHE CA) - (16 PHE CB) - (16 PHE CG)  CHI1
 &rst iat=  201, 203, 205, 208, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 PHE N) - (16 PHE CA) - (16 PHE CB) - (16 PHE CG)  CHI1
 &rst iat=  201, 203, 205, 208, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 VAL N) - (18 VAL CA) - (18 VAL CB) - (18 VAL CG1)  CHI1
 &rst iat=  231, 233, 235, 237, 
 r1= -345.0, r2= -315.0, r3= -45.0, r4= -15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 VAL N) - (18 VAL CA) - (18 VAL CB) - (18 VAL CG1)  CHI1
 &rst iat=  231, 233, 235, 237, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 VAL N) - (18 VAL CA) - (18 VAL CB) - (18 VAL CG1)  CHI1
 &rst iat=  231, 233, 235, 237, 
 r1= -125.0, r2= -95.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (19 GLN N) - (19 GLN CA) - (19 GLN CB) - (19 GLN CG)  CHI1
 &rst iat=  247, 249, 251, 254, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (19 GLN N) - (19 GLN CA) - (19 GLN CB) - (19 GLN CG)  CHI1
 &rst iat=  247, 249, 251, 254, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (20 MET N) - (20 MET CA) - (20 MET CB) - (20 MET CG)  CHI1
 &rst iat=  264, 266, 268, 271, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (20 MET N) - (20 MET CA) - (20 MET CB) - (20 MET CG)  CHI1
 &rst iat=  264, 266, 268, 271, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (21 THR N) - (21 THR CA) - (21 THR CB) - (21 THR OG1)  CHI1
 &rst iat=  281, 283, 285, 291, 
 r1= -245.0, r2= -215.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (21 THR N) - (21 THR CA) - (21 THR CB) - (21 THR OG1)  CHI1
 &rst iat=  281, 283, 285, 291, 
 r1= -105.0, r2= -75.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (23 GLN N) - (23 GLN CA) - (23 GLN CB) - (23 GLN CG)  CHI1
 &rst iat=  305, 307, 309, 312, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (23 GLN N) - (23 GLN CA) - (23 GLN CB) - (23 GLN CG)  CHI1
 &rst iat=  305, 307, 309, 312, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 VAL N) - (26 VAL CA) - (26 VAL CB) - (26 VAL CG1)  CHI1
 &rst iat=  343, 345, 347, 349, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 VAL N) - (26 VAL CA) - (26 VAL CB) - (26 VAL CG1)  CHI1
 &rst iat=  343, 345, 347, 349, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 VAL N) - (26 VAL CA) - (26 VAL CB) - (26 VAL CG1)  CHI1
 &rst iat=  343, 345, 347, 349, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (27 ASP N) - (27 ASP CA) - (27 ASP CB) - (27 ASP CG)  CHI1
 &rst iat=  359, 361, 363, 366, 
 r1= -245.0, r2= -215.0, r3= 65.0, r4= 95.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 VAL N) - (29 VAL CA) - (29 VAL CB) - (29 VAL CG1)  CHI1
 &rst iat=  381, 383, 385, 387, 
 r1= 25.0, r2= 55.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 VAL N) - (29 VAL CA) - (29 VAL CB) - (29 VAL CG1)  CHI1
 &rst iat=  381, 383, 385, 387, 
 r1= -225.0, r2= -195.0, r3= 65.0, r4= 95.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 ARG N) - (30 ARG CA) - (30 ARG CB) - (30 ARG CG)  CHI1
 &rst iat=  397, 399, 401, 404, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 ARG N) - (30 ARG CA) - (30 ARG CB) - (30 ARG CG)  CHI1
 &rst iat=  397, 399, 401, 404, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS N) - (31 LYS CA) - (31 LYS CB) - (31 LYS CG)  CHI1
 &rst iat=  421, 423, 425, 428, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS N) - (31 LYS CA) - (31 LYS CB) - (31 LYS CG)  CHI1
 &rst iat=  421, 423, 425, 428, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (33 LEU N) - (33 LEU CA) - (33 LEU CB) - (33 LEU CG)  CHI1
 &rst iat=  454, 456, 458, 461, 
 r1= -255.0, r2= -225.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (34 GLN N) - (34 GLN CA) - (34 GLN CB) - (34 GLN CG)  CHI1
 &rst iat=  473, 475, 477, 480, 
 r1= -235.0, r2= -205.0, r3= -85.0, r4= -55.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (36 VAL N) - (36 VAL CA) - (36 VAL CB) - (36 VAL CG1)  CHI1
 &rst iat=  497, 499, 501, 503, 
 r1= 15.0, r2= 45.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (36 VAL N) - (36 VAL CA) - (36 VAL CB) - (36 VAL CG1)  CHI1
 &rst iat=  497, 499, 501, 503, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 VAL N) - (39 VAL CA) - (39 VAL CB) - (39 VAL CG1)  CHI1
 &rst iat=  530, 532, 534, 536, 
 r1= 15.0, r2= 45.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 VAL N) - (39 VAL CA) - (39 VAL CB) - (39 VAL CG1)  CHI1
 &rst iat=  530, 532, 534, 536, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (40 GLN N) - (40 GLN CA) - (40 GLN CB) - (40 GLN CG)  CHI1
 &rst iat=  546, 548, 550, 553, 
 r1= -235.0, r2= -205.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 ASP N) - (41 ASP CA) - (41 ASP CB) - (41 ASP CG)  CHI1
 &rst iat=  563, 565, 567, 570, 
 r1= -195.0, r2= -165.0, r3= 75.0, r4= 105.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 ASP N) - (41 ASP CA) - (41 ASP CB) - (41 ASP CG)  CHI1
 &rst iat=  563, 565, 567, 570, 
 r1= -145.0, r2= -115.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL N) - (42 VAL CA) - (42 VAL CB) - (42 VAL CG1)  CHI1
 &rst iat=  575, 577, 579, 581, 
 r1= -345.0, r2= -315.0, r3= -45.0, r4= -15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL N) - (42 VAL CA) - (42 VAL CB) - (42 VAL CG1)  CHI1
 &rst iat=  575, 577, 579, 581, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL N) - (42 VAL CA) - (42 VAL CB) - (42 VAL CG1)  CHI1
 &rst iat=  575, 577, 579, 581, 
 r1= -125.0, r2= -95.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (43 GLU N) - (43 GLU CA) - (43 GLU CB) - (43 GLU CG)  CHI1
 &rst iat=  591, 593, 595, 598, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (43 GLU N) - (43 GLU CA) - (43 GLU CB) - (43 GLU CG)  CHI1
 &rst iat=  591, 593, 595, 598, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (44 VAL N) - (44 VAL CA) - (44 VAL CB) - (44 VAL CG1)  CHI1
 &rst iat=  606, 608, 610, 612, 
 r1= 15.0, r2= 45.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (44 VAL N) - (44 VAL CA) - (44 VAL CB) - (44 VAL CG1)  CHI1
 &rst iat=  606, 608, 610, 612, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (45 HID N) - (45 HID CA) - (45 HID CB) - (45 HID CG)  CHI1
 &rst iat=  622, 624, 626, 629, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (45 HID N) - (45 HID CA) - (45 HID CB) - (45 HID CG)  CHI1
 &rst iat=  622, 624, 626, 629, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU N) - (46 LEU CA) - (46 LEU CB) - (46 LEU CG)  CHI1
 &rst iat=  639, 641, 643, 646, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU N) - (46 LEU CA) - (46 LEU CB) - (46 LEU CG)  CHI1
 &rst iat=  639, 641, 643, 646, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU N) - (46 LEU CA) - (46 LEU CB) - (46 LEU CG)  CHI1
 &rst iat=  639, 641, 643, 646, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU CA) - (46 LEU CB) - (46 LEU CG) - (46 LEU CD1)  CHI2
 &rst iat=  641, 643, 646, 648, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU CA) - (46 LEU CB) - (46 LEU CG) - (46 LEU CD1)  CHI2
 &rst iat=  641, 643, 646, 648, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU CA) - (46 LEU CB) - (46 LEU CG) - (46 LEU CD1)  CHI2
 &rst iat=  641, 643, 646, 648, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (47 GLU N) - (47 GLU CA) - (47 GLU CB) - (47 GLU CG)  CHI1
 &rst iat=  658, 660, 662, 665, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (47 GLU N) - (47 GLU CA) - (47 GLU CB) - (47 GLU CG)  CHI1
 &rst iat=  658, 660, 662, 665, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (48 ASP N) - (48 ASP CA) - (48 ASP CB) - (48 ASP CG)  CHI1
 &rst iat=  673, 675, 677, 680, 
 r1= -255.0, r2= -225.0, r3= 115.0, r4= 145.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 GLN N) - (49 GLN CA) - (49 GLN CB) - (49 GLN CG)  CHI1
 &rst iat=  685, 687, 689, 692, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 GLN N) - (49 GLN CA) - (49 GLN CB) - (49 GLN CG)  CHI1
 &rst iat=  685, 687, 689, 692, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 MET N) - (50 MET CA) - (50 MET CB) - (50 MET CG)  CHI1
 &rst iat=  702, 704, 706, 709, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 MET N) - (50 MET CA) - (50 MET CB) - (50 MET CG)  CHI1
 &rst iat=  702, 704, 706, 709, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 VAL N) - (51 VAL CA) - (51 VAL CB) - (51 VAL CG1)  CHI1
 &rst iat=  719, 721, 723, 725, 
 r1= -345.0, r2= -315.0, r3= -45.0, r4= -15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 VAL N) - (51 VAL CA) - (51 VAL CB) - (51 VAL CG1)  CHI1
 &rst iat=  719, 721, 723, 725, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 VAL N) - (51 VAL CA) - (51 VAL CB) - (51 VAL CG1)  CHI1
 &rst iat=  719, 721, 723, 725, 
 r1= -115.0, r2= -85.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (52 LEU N) - (52 LEU CA) - (52 LEU CB) - (52 LEU CG)  CHI1
 &rst iat=  735, 737, 739, 742, 
 r1= -255.0, r2= -225.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 VAL N) - (53 VAL CA) - (53 VAL CB) - (53 VAL CG1)  CHI1
 &rst iat=  754, 756, 758, 760, 
 r1= -345.0, r2= -315.0, r3= -45.0, r4= -15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 VAL N) - (53 VAL CA) - (53 VAL CB) - (53 VAL CG1)  CHI1
 &rst iat=  754, 756, 758, 760, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 VAL N) - (53 VAL CA) - (53 VAL CB) - (53 VAL CG1)  CHI1
 &rst iat=  754, 756, 758, 760, 
 r1= -125.0, r2= -95.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 HID N) - (54 HID CA) - (54 HID CB) - (54 HID CG)  CHI1
 &rst iat=  770, 772, 774, 777, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 HID N) - (54 HID CA) - (54 HID CB) - (54 HID CG)  CHI1
 &rst iat=  770, 772, 774, 777, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 THR N) - (55 THR CA) - (55 THR CB) - (55 THR OG1)  CHI1
 &rst iat=  787, 789, 791, 797, 
 r1= -245.0, r2= -215.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 THR N) - (55 THR CA) - (55 THR CB) - (55 THR OG1)  CHI1
 &rst iat=  787, 789, 791, 797, 
 r1= -95.0, r2= -65.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (56 THR N) - (56 THR CA) - (56 THR CB) - (56 THR OG1)  CHI1
 &rst iat=  801, 803, 805, 811, 
 r1= -245.0, r2= -215.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (56 THR N) - (56 THR CA) - (56 THR CB) - (56 THR OG1)  CHI1
 &rst iat=  801, 803, 805, 811, 
 r1= -105.0, r2= -75.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (57 LEU N) - (57 LEU CA) - (57 LEU CB) - (57 LEU CG)  CHI1
 &rst iat=  815, 817, 819, 822, 
 r1= -295.0, r2= -265.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (57 LEU N) - (57 LEU CA) - (57 LEU CB) - (57 LEU CG)  CHI1
 &rst iat=  815, 817, 819, 822, 
 r1= -145.0, r2= -115.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (57 LEU N) - (57 LEU CA) - (57 LEU CB) - (57 LEU CG)  CHI1
 &rst iat=  815, 817, 819, 822, 
 r1= -95.0, r2= -65.0, r3= 285.0, r4= 315.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (62 VAL N) - (62 VAL CA) - (62 VAL CB) - (62 VAL CG1)  CHI1
 &rst iat=  891, 893, 895, 897, 
 r1= -225.0, r2= -195.0, r3= -155.0, r4= -125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (63 GLN N) - (63 GLN CA) - (63 GLN CB) - (63 GLN CG)  CHI1
 &rst iat=  907, 909, 911, 914, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (63 GLN N) - (63 GLN CA) - (63 GLN CB) - (63 GLN CG)  CHI1
 &rst iat=  907, 909, 911, 914, 
 r1= -235.0, r2= -205.0, r3= 55.0, r4= 85.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (65 LEU N) - (65 LEU CA) - (65 LEU CB) - (65 LEU CG)  CHI1
 &rst iat=  934, 936, 938, 941, 
 r1= -15.0, r2= 15.0, r3= 335.0, r4= 365.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (65 LEU N) - (65 LEU CA) - (65 LEU CB) - (65 LEU CG)  CHI1
 &rst iat=  934, 936, 938, 941, 
 r1= -255.0, r2= -225.0, r3= 65.0, r4= 95.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (66 LEU N) - (66 LEU CA) - (66 LEU CB) - (66 LEU CG)  CHI1
 &rst iat=  953, 955, 957, 960, 
 r1= -255.0, r2= -225.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (67 GLU N) - (67 GLU CA) - (67 GLU CB) - (67 GLU CG)  CHI1
 &rst iat=  972, 974, 976, 979, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (67 GLU N) - (67 GLU CA) - (67 GLU CB) - (67 GLU CG)  CHI1
 &rst iat=  972, 974, 976, 979, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 THR N) - (69 THR CA) - (69 THR CB) - (69 THR OG1)  CHI1
 &rst iat=  994, 996, 998, 1004, 
 r1= -245.0, r2= -215.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 THR N) - (69 THR CA) - (69 THR CB) - (69 THR OG1)  CHI1
 &rst iat=  994, 996, 998, 1004, 
 r1= -105.0, r2= -75.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (71 ARG N) - (71 ARG CA) - (71 ARG CB) - (71 ARG CG)  CHI1
 &rst iat=  1015, 1017, 1019, 1022, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (71 ARG N) - (71 ARG CA) - (71 ARG CB) - (71 ARG CG)  CHI1
 &rst iat=  1015, 1017, 1019, 1022, 
 r1= -215.0, r2= -185.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 GLN N) - (72 GLN CA) - (72 GLN CB) - (72 GLN CG)  CHI1
 &rst iat=  1039, 1041, 1043, 1046, 
 r1= -355.0, r2= -325.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 GLN N) - (72 GLN CA) - (72 GLN CB) - (72 GLN CG)  CHI1
 &rst iat=  1039, 1041, 1043, 1046, 
 r1= -225.0, r2= -195.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 VAL N) - (74 VAL CA) - (74 VAL CB) - (74 VAL CG1)  CHI1
 &rst iat=  1066, 1068, 1070, 1072, 
 r1= -345.0, r2= -315.0, r3= -45.0, r4= -15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 VAL N) - (74 VAL CA) - (74 VAL CB) - (74 VAL CG1)  CHI1
 &rst iat=  1066, 1068, 1070, 1072, 
 r1= -225.0, r2= -195.0, r3= 85.0, r4= 115.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 VAL N) - (74 VAL CA) - (74 VAL CB) - (74 VAL CG1)  CHI1
 &rst iat=  1066, 1068, 1070, 1072, 
 r1= -115.0, r2= -85.0, r3= 205.0, r4= 235.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU N) - (75 LEU CA) - (75 LEU CB) - (75 LEU CG)  CHI1
 &rst iat=  1082, 1084, 1086, 1089, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU N) - (75 LEU CA) - (75 LEU CB) - (75 LEU CG)  CHI1
 &rst iat=  1082, 1084, 1086, 1089, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU N) - (75 LEU CA) - (75 LEU CB) - (75 LEU CG)  CHI1
 &rst iat=  1082, 1084, 1086, 1089, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU CA) - (75 LEU CB) - (75 LEU CG) - (75 LEU CD1)  CHI2
 &rst iat=  1084, 1086, 1089, 1091, 
 r1= -120.0, r2= -90.0, r3= 210.0, r4= 240.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU CA) - (75 LEU CB) - (75 LEU CG) - (75 LEU CD1)  CHI2
 &rst iat=  1084, 1086, 1089, 1091, 
 r1= 0.0, r2= 30.0, r3= 330.0, r4= 360.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU CA) - (75 LEU CB) - (75 LEU CG) - (75 LEU CD1)  CHI2
 &rst iat=  1084, 1086, 1089, 1091, 
 r1= -240.0, r2= -210.0, r3= 90.0, r4= 120.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (76 LYS N) - (76 LYS CA) - (76 LYS CB) - (76 LYS CG)  CHI1
 &rst iat=  1101, 1103, 1105, 1108, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (76 LYS N) - (76 LYS CA) - (76 LYS CB) - (76 LYS CG)  CHI1
 &rst iat=  1101, 1103, 1105, 1108, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (78 MET N) - (78 MET CA) - (78 MET CB) - (78 MET CG)  CHI1
 &rst iat=  1130, 1132, 1134, 1137, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (78 MET N) - (78 MET CA) - (78 MET CB) - (78 MET CG)  CHI1
 &rst iat=  1130, 1132, 1134, 1137, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (82 GLN N) - (82 GLN CA) - (82 GLN CB) - (82 GLN CG)  CHI1
 &rst iat=  1172, 1174, 1176, 1179, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (82 GLN N) - (82 GLN CA) - (82 GLN CB) - (82 GLN CG)  CHI1
 &rst iat=  1172, 1174, 1176, 1179, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (83 LEU N) - (83 LEU CA) - (83 LEU CB) - (83 LEU CG)  CHI1
 &rst iat=  1189, 1191, 1193, 1196, 
 r1= -365.0, r2= -335.0, r3= -15.0, r4= 15.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (83 LEU N) - (83 LEU CA) - (83 LEU CB) - (83 LEU CG)  CHI1
 &rst iat=  1189, 1191, 1193, 1196, 
 r1= -255.0, r2= -225.0, r3= 105.0, r4= 135.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (84 GLN N) - (84 GLN CA) - (84 GLN CB) - (84 GLN CG)  CHI1
 &rst iat=  1208, 1210, 1212, 1215, 
 r1= -365.0, r2= -335.0, r3= -25.0, r4= 5.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (84 GLN N) - (84 GLN CA) - (84 GLN CB) - (84 GLN CG)  CHI1
 &rst iat=  1208, 1210, 1212, 1215, 
 r1= -235.0, r2= -205.0, r3= 95.0, r4= 125.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (85 ASN N) - (85 ASN CA) - (85 ASN CB) - (85 ASN CG)  CHI1
 &rst iat=  1225, 1227, 1229, 1232, 
 r1= -255.0, r2= -225.0, r3= 115.0, r4= 145.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (3 SER C) - (4 ASP N) - (4 ASP CA) - (4 ASP C)  PHI
 &rst iat=  39, 41, 43, 51, 
 r1= -149.0, r2= -119.0, r3= -47.7, r4= -17.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (4 ASP N) - (4 ASP CA) - (4 ASP C) - (5 SER N)  PSI
 &rst iat=  41, 43, 51, 53, 
 r1= -89.4, r2= -59.4, r3= 15.6, r4= 45.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (10 THR C) - (11 LEU N) - (11 LEU CA) - (11 LEU C)  PHI
 &rst iat=  121, 123, 125, 140, 
 r1= -133.1, r2= -103.1, r3= -59.6, r4= -29.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU N) - (11 LEU CA) - (11 LEU C) - (12 CYS N)  PSI
 &rst iat=  123, 125, 140, 142, 
 r1= 77.9, r2= 107.9, r3= 151.0, r4= 181.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (11 LEU C) - (12 CYS N) - (12 CYS CA) - (12 CYS C)  PHI
 &rst iat=  140, 142, 144, 151, 
 r1= -182.1, r2= -152.1, r3= -75.8, r4= -45.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (12 CYS N) - (12 CYS CA) - (12 CYS C) - (13 THR N)  PSI
 &rst iat=  142, 144, 151, 153, 
 r1= 85.2, r2= 115.2, r3= 155.2, r4= 185.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (12 CYS C) - (13 THR N) - (13 THR CA) - (13 THR C)  PHI
 &rst iat=  151, 153, 155, 165, 
 r1= -168.6, r2= -138.6, r3= -71.1, r4= -41.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 THR N) - (13 THR CA) - (13 THR C) - (14 LEU N)  PSI
 &rst iat=  153, 155, 165, 167, 
 r1= 76.3, r2= 106.3, r3= 146.3, r4= 176.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (13 THR C) - (14 LEU N) - (14 LEU CA) - (14 LEU C)  PHI
 &rst iat=  165, 167, 169, 184, 
 r1= -184.6, r2= -154.6, r3= -75.4, r4= -45.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (14 LEU N) - (14 LEU CA) - (14 LEU C) - (15 GLU N)  PSI
 &rst iat=  167, 169, 184, 186, 
 r1= 85.3, r2= 115.3, r3= 167.5, r4= 197.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (14 LEU C) - (15 GLU N) - (15 GLU CA) - (15 GLU C)  PHI
 &rst iat=  184, 186, 188, 199, 
 r1= -198.3, r2= -168.3, r3= -64.6, r4= -34.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 GLU N) - (15 GLU CA) - (15 GLU C) - (16 PHE N)  PSI
 &rst iat=  186, 188, 199, 201, 
 r1= 53.5, r2= 83.5, r3= 181.1, r4= 211.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (15 GLU C) - (16 PHE N) - (16 PHE CA) - (16 PHE C)  PHI
 &rst iat=  199, 201, 203, 219, 
 r1= -173.1, r2= -143.1, r3= -102.4, r4= -72.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 PHE N) - (16 PHE CA) - (16 PHE C) - (17 ALA N)  PSI
 &rst iat=  201, 203, 219, 221, 
 r1= 81.1, r2= 111.1, r3= 158.2, r4= 188.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (16 PHE C) - (17 ALA N) - (17 ALA CA) - (17 ALA C)  PHI
 &rst iat=  219, 221, 223, 229, 
 r1= -149.8, r2= -119.8, r3= -79.1, r4= -49.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (17 ALA N) - (17 ALA CA) - (17 ALA C) - (18 VAL N)  PSI
 &rst iat=  221, 223, 229, 231, 
 r1= 68.5, r2= 98.5, r3= 140.9, r4= 170.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (17 ALA C) - (18 VAL N) - (18 VAL CA) - (18 VAL C)  PHI
 &rst iat=  229, 231, 233, 245, 
 r1= -183.8, r2= -153.8, r3= -99.0, r4= -69.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 VAL N) - (18 VAL CA) - (18 VAL C) - (19 GLN N)  PSI
 &rst iat=  231, 233, 245, 247, 
 r1= 83.5, r2= 113.5, r3= 173.2, r4= 203.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (18 VAL C) - (19 GLN N) - (19 GLN CA) - (19 GLN C)  PHI
 &rst iat=  245, 247, 249, 262, 
 r1= -149.4, r2= -119.4, r3= -53.0, r4= -23.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (19 GLN N) - (19 GLN CA) - (19 GLN C) - (20 MET N)  PSI
 &rst iat=  247, 249, 262, 264, 
 r1= 67.5, r2= 97.5, r3= 156.8, r4= 186.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (20 MET C) - (21 THR N) - (21 THR CA) - (21 THR C)  PHI
 &rst iat=  279, 281, 283, 293, 
 r1= -180.0, r2= -150.0, r3= -70.0, r4= -40.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (21 THR C) - (22 CYG N) - (22 CYG CA) - (22 CYG C)  PHI
 &rst iat=  293, 295, 297, 303, 
 r1= -205.7, r2= -175.7, r3= -52.2, r4= -22.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (22 CYG N) - (22 CYG CA) - (22 CYG C) - (23 GLN N)  PSI
 &rst iat=  295, 297, 303, 305, 
 r1= 101.1, r2= 131.1, r3= 181.1, r4= 211.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (22 CYG C) - (23 GLN N) - (23 GLN CA) - (23 GLN C)  PHI
 &rst iat=  303, 305, 307, 320, 
 r1= -113.5, r2= -83.5, r3= -43.5, r4= -13.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (23 GLN N) - (23 GLN CA) - (23 GLN C) - (24 SER N)  PSI
 &rst iat=  305, 307, 320, 322, 
 r1= -81.4, r2= -51.4, r3= -11.4, r4= 18.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (23 GLN C) - (24 SER N) - (24 SER CA) - (24 SER C)  PHI
 &rst iat=  320, 322, 324, 331, 
 r1= -119.6, r2= -89.6, r3= -49.6, r4= -19.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (24 SER N) - (24 SER CA) - (24 SER C) - (25 CYG N)  PSI
 &rst iat=  322, 324, 331, 333, 
 r1= -88.7, r2= -58.7, r3= -18.7, r4= 11.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (24 SER C) - (25 CYG N) - (25 CYG CA) - (25 CYG C)  PHI
 &rst iat=  331, 333, 335, 341, 
 r1= -112.3, r2= -82.3, r3= -42.3, r4= -12.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (25 CYG N) - (25 CYG CA) - (25 CYG C) - (26 VAL N)  PSI
 &rst iat=  333, 335, 341, 343, 
 r1= -93.6, r2= -63.6, r3= -23.6, r4= 6.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (25 CYG C) - (26 VAL N) - (26 VAL CA) - (26 VAL C)  PHI
 &rst iat=  341, 343, 345, 357, 
 r1= -113.0, r2= -83.0, r3= -43.0, r4= -13.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 VAL N) - (26 VAL CA) - (26 VAL C) - (27 ASP N)  PSI
 &rst iat=  343, 345, 357, 359, 
 r1= -91.4, r2= -61.4, r3= -21.4, r4= 8.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (26 VAL C) - (27 ASP N) - (27 ASP CA) - (27 ASP C)  PHI
 &rst iat=  357, 359, 361, 369, 
 r1= -112.5, r2= -82.5, r3= -42.5, r4= -12.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (27 ASP N) - (27 ASP CA) - (27 ASP C) - (28 ALA N)  PSI
 &rst iat=  359, 361, 369, 371, 
 r1= -88.1, r2= -58.1, r3= -18.1, r4= 11.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (27 ASP C) - (28 ALA N) - (28 ALA CA) - (28 ALA C)  PHI
 &rst iat=  369, 371, 373, 379, 
 r1= -113.8, r2= -83.8, r3= -43.8, r4= -13.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (28 ALA N) - (28 ALA CA) - (28 ALA C) - (29 VAL N)  PSI
 &rst iat=  371, 373, 379, 381, 
 r1= -93.1, r2= -63.1, r3= -23.1, r4= 6.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (28 ALA C) - (29 VAL N) - (29 VAL CA) - (29 VAL C)  PHI
 &rst iat=  379, 381, 383, 395, 
 r1= -119.6, r2= -89.6, r3= -45.8, r4= -15.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 VAL N) - (29 VAL CA) - (29 VAL C) - (30 ARG N)  PSI
 &rst iat=  381, 383, 395, 397, 
 r1= -90.6, r2= -60.6, r3= -20.6, r4= 9.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (29 VAL C) - (30 ARG N) - (30 ARG CA) - (30 ARG C)  PHI
 &rst iat=  395, 397, 399, 419, 
 r1= -111.0, r2= -81.0, r3= -41.0, r4= -11.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 ARG N) - (30 ARG CA) - (30 ARG C) - (31 LYS N)  PSI
 &rst iat=  397, 399, 419, 421, 
 r1= -90.4, r2= -60.4, r3= -20.4, r4= 9.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (30 ARG C) - (31 LYS N) - (31 LYS CA) - (31 LYS C)  PHI
 &rst iat=  419, 421, 423, 441, 
 r1= -114.1, r2= -84.1, r3= -44.1, r4= -14.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS N) - (31 LYS CA) - (31 LYS C) - (32 SER N)  PSI
 &rst iat=  421, 423, 441, 443, 
 r1= -92.0, r2= -62.0, r3= -22.0, r4= 8.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (31 LYS C) - (32 SER N) - (32 SER CA) - (32 SER C)  PHI
 &rst iat=  441, 443, 445, 452, 
 r1= -125.4, r2= -95.4, r3= -50.1, r4= -20.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (32 SER N) - (32 SER CA) - (32 SER C) - (33 LEU N)  PSI
 &rst iat=  443, 445, 452, 454, 
 r1= -85.0, r2= -55.0, r3= 1.1, r4= 31.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (32 SER C) - (33 LEU N) - (33 LEU CA) - (33 LEU C)  PHI
 &rst iat=  452, 454, 456, 471, 
 r1= -154.8, r2= -124.8, r3= -68.8, r4= -38.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (33 LEU N) - (33 LEU CA) - (33 LEU C) - (34 GLN N)  PSI
 &rst iat=  454, 456, 471, 473, 
 r1= -66.3, r2= -36.3, r3= 29.2, r4= 59.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (33 LEU C) - (34 GLN N) - (34 GLN CA) - (34 GLN C)  PHI
 &rst iat=  471, 473, 475, 488, 
 r1= -111.4, r2= -81.4, r3= -41.0, r4= -11.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (34 GLN N) - (34 GLN CA) - (34 GLN C) - (35 GLY N)  PSI
 &rst iat=  473, 475, 488, 490, 
 r1= 84.5, r2= 114.5, r3= 154.5, r4= 184.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (35 GLY C) - (36 VAL N) - (36 VAL CA) - (36 VAL C)  PHI
 &rst iat=  495, 497, 499, 511, 
 r1= -133.0, r2= -103.0, r3= -52.6, r4= -22.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (36 VAL N) - (36 VAL CA) - (36 VAL C) - (37 ALA N)  PSI
 &rst iat=  497, 499, 511, 513, 
 r1= 76.0, r2= 106.0, r3= 159.8, r4= 189.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (36 VAL C) - (37 ALA N) - (37 ALA CA) - (37 ALA C)  PHI
 &rst iat=  511, 513, 515, 521, 
 r1= -127.5, r2= -97.5, r3= -35.9, r4= -5.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (37 ALA N) - (37 ALA CA) - (37 ALA C) - (38 GLY N)  PSI
 &rst iat=  513, 515, 521, 523, 
 r1= 80.0, r2= 110.0, r3= 145.5, r4= 175.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (37 ALA C) - (38 GLY N) - (38 GLY CA) - (38 GLY C)  PHI
 &rst iat=  521, 523, 525, 528, 
 r1= 40.0, r2= 70.0, r3= 100.0, r4= 130.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (38 GLY N) - (38 GLY CA) - (38 GLY C) - (39 VAL N)  PSI
 &rst iat=  523, 525, 528, 530, 
 r1= -60.0, r2= -30.0, r3= 10.0, r4= 40.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (38 GLY C) - (39 VAL N) - (39 VAL CA) - (39 VAL C)  PHI
 &rst iat=  528, 530, 532, 544, 
 r1= -150.6, r2= -120.6, r3= -53.0, r4= -23.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 VAL N) - (39 VAL CA) - (39 VAL C) - (40 GLN N)  PSI
 &rst iat=  530, 532, 544, 546, 
 r1= 56.1, r2= 86.1, r3= 160.8, r4= 190.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (39 VAL C) - (40 GLN N) - (40 GLN CA) - (40 GLN C)  PHI
 &rst iat=  544, 546, 548, 561, 
 r1= -135.3, r2= -105.3, r3= -65.3, r4= -35.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (40 GLN N) - (40 GLN CA) - (40 GLN C) - (41 ASP N)  PSI
 &rst iat=  546, 548, 561, 563, 
 r1= -87.2, r2= -57.2, r3= -17.2, r4= 12.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (40 GLN C) - (41 ASP N) - (41 ASP CA) - (41 ASP C)  PHI
 &rst iat=  561, 563, 565, 573, 
 r1= -214.7, r2= -184.7, r3= -142.1, r4= -112.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 ASP N) - (41 ASP CA) - (41 ASP C) - (42 VAL N)  PSI
 &rst iat=  563, 565, 573, 575, 
 r1= 109.2, r2= 139.2, r3= 179.2, r4= 209.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (41 ASP C) - (42 VAL N) - (42 VAL CA) - (42 VAL C)  PHI
 &rst iat=  573, 575, 577, 589, 
 r1= -183.0, r2= -153.0, r3= -106.1, r4= -76.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL N) - (42 VAL CA) - (42 VAL C) - (43 GLU N)  PSI
 &rst iat=  575, 577, 589, 591, 
 r1= 65.3, r2= 95.3, r3= 168.9, r4= 198.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (42 VAL C) - (43 GLU N) - (43 GLU CA) - (43 GLU C)  PHI
 &rst iat=  589, 591, 593, 604, 
 r1= -182.1, r2= -152.1, r3= -97.9, r4= -67.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (43 GLU N) - (43 GLU CA) - (43 GLU C) - (44 VAL N)  PSI
 &rst iat=  591, 593, 604, 606, 
 r1= 83.1, r2= 113.1, r3= 158.9, r4= 188.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (43 GLU C) - (44 VAL N) - (44 VAL CA) - (44 VAL C)  PHI
 &rst iat=  604, 606, 608, 620, 
 r1= -157.1, r2= -127.1, r3= -81.5, r4= -51.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (44 VAL N) - (44 VAL CA) - (44 VAL C) - (45 HID N)  PSI
 &rst iat=  606, 608, 620, 622, 
 r1= 72.8, r2= 102.8, r3= 142.8, r4= 172.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (44 VAL C) - (45 HID N) - (45 HID CA) - (45 HID C)  PHI
 &rst iat=  620, 622, 624, 637, 
 r1= -149.5, r2= -119.5, r3= -66.2, r4= -36.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (45 HID N) - (45 HID CA) - (45 HID C) - (46 LEU N)  PSI
 &rst iat=  622, 624, 637, 639, 
 r1= 41.1, r2= 71.1, r3= 128.7, r4= 158.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (45 HID C) - (46 LEU N) - (46 LEU CA) - (46 LEU C)  PHI
 &rst iat=  637, 639, 641, 656, 
 r1= -110.8, r2= -80.8, r3= -40.8, r4= -10.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU N) - (46 LEU CA) - (46 LEU C) - (47 GLU N)  PSI
 &rst iat=  639, 641, 656, 658, 
 r1= -86.2, r2= -56.2, r3= -1.1, r4= 28.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (46 LEU C) - (47 GLU N) - (47 GLU CA) - (47 GLU C)  PHI
 &rst iat=  656, 658, 660, 671, 
 r1= -117.6, r2= -87.6, r3= -47.6, r4= -17.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (47 GLU N) - (47 GLU CA) - (47 GLU C) - (48 ASP N)  PSI
 &rst iat=  658, 660, 671, 673, 
 r1= -85.2, r2= -55.2, r3= -3.7, r4= 26.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (47 GLU C) - (48 ASP N) - (48 ASP CA) - (48 ASP C)  PHI
 &rst iat=  671, 673, 675, 683, 
 r1= -150.0, r2= -120.0, r3= -79.5, r4= -49.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (48 ASP N) - (48 ASP CA) - (48 ASP C) - (49 GLN N)  PSI
 &rst iat=  673, 675, 683, 685, 
 r1= -45.3, r2= -15.3, r3= 35.4, r4= 65.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (48 ASP C) - (49 GLN N) - (49 GLN CA) - (49 GLN C)  PHI
 &rst iat=  683, 685, 687, 700, 
 r1= 8.8, r2= 38.8, r3= 78.8, r4= 108.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 GLN N) - (49 GLN CA) - (49 GLN C) - (50 MET N)  PSI
 &rst iat=  685, 687, 700, 702, 
 r1= -8.8, r2= 21.2, r3= 63.3, r4= 93.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (49 GLN C) - (50 MET N) - (50 MET CA) - (50 MET C)  PHI
 &rst iat=  700, 702, 704, 717, 
 r1= -178.1, r2= -148.1, r3= -85.8, r4= -55.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 MET N) - (50 MET CA) - (50 MET C) - (51 VAL N)  PSI
 &rst iat=  702, 704, 717, 719, 
 r1= 92.5, r2= 122.5, r3= 170.7, r4= 200.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (50 MET C) - (51 VAL N) - (51 VAL CA) - (51 VAL C)  PHI
 &rst iat=  717, 719, 721, 733, 
 r1= -187.7, r2= -157.7, r3= -89.3, r4= -59.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 VAL N) - (51 VAL CA) - (51 VAL C) - (52 LEU N)  PSI
 &rst iat=  719, 721, 733, 735, 
 r1= 74.1, r2= 104.1, r3= 144.1, r4= 174.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (51 VAL C) - (52 LEU N) - (52 LEU CA) - (52 LEU C)  PHI
 &rst iat=  733, 735, 737, 752, 
 r1= -171.7, r2= -141.7, r3= -84.2, r4= -54.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (52 LEU N) - (52 LEU CA) - (52 LEU C) - (53 VAL N)  PSI
 &rst iat=  735, 737, 752, 754, 
 r1= 77.1, r2= 107.1, r3= 157.1, r4= 187.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (52 LEU C) - (53 VAL N) - (53 VAL CA) - (53 VAL C)  PHI
 &rst iat=  752, 754, 756, 768, 
 r1= -160.4, r2= -130.4, r3= -100.4, r4= -70.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 VAL N) - (53 VAL CA) - (53 VAL C) - (54 HID N)  PSI
 &rst iat=  754, 756, 768, 770, 
 r1= 61.3, r2= 91.3, r3= 149.8, r4= 179.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (53 VAL C) - (54 HID N) - (54 HID CA) - (54 HID C)  PHI
 &rst iat=  768, 770, 772, 785, 
 r1= -170.0, r2= -140.0, r3= -58.7, r4= -28.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 HID N) - (54 HID CA) - (54 HID C) - (55 THR N)  PSI
 &rst iat=  770, 772, 785, 787, 
 r1= 70.0, r2= 100.0, r3= 160.0, r4= 190.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (54 HID C) - (55 THR N) - (55 THR CA) - (55 THR C)  PHI
 &rst iat=  785, 787, 789, 799, 
 r1= -181.2, r2= -151.2, r3= -84.8, r4= -54.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 THR N) - (55 THR CA) - (55 THR C) - (56 THR N)  PSI
 &rst iat=  787, 789, 799, 801, 
 r1= 87.2, r2= 117.2, r3= 169.7, r4= 199.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (55 THR C) - (56 THR N) - (56 THR CA) - (56 THR C)  PHI
 &rst iat=  799, 801, 803, 813, 
 r1= -195.0, r2= -165.0, r3= -50.3, r4= -20.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (58 PRO C) - (59 SER N) - (59 SER CA) - (59 SER C)  PHI
 &rst iat=  846, 848, 850, 857, 
 r1= -105.5, r2= -75.5, r3= -31.5, r4= -1.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (59 SER N) - (59 SER CA) - (59 SER C) - (60 GLN N)  PSI
 &rst iat=  848, 850, 857, 859, 
 r1= -96.7, r2= -66.7, r3= -14.2, r4= 15.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (59 SER C) - (60 GLN N) - (60 GLN CA) - (60 GLN C)  PHI
 &rst iat=  857, 859, 861, 874, 
 r1= -112.5, r2= -82.5, r3= -42.5, r4= -12.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (60 GLN N) - (60 GLN CA) - (60 GLN C) - (61 GLU N)  PSI
 &rst iat=  859, 861, 874, 876, 
 r1= -92.9, r2= -62.9, r3= -22.9, r4= 7.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (60 GLN C) - (61 GLU N) - (61 GLU CA) - (61 GLU C)  PHI
 &rst iat=  874, 876, 878, 889, 
 r1= -116.5, r2= -86.5, r3= -46.5, r4= -16.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (61 GLU N) - (61 GLU CA) - (61 GLU C) - (62 VAL N)  PSI
 &rst iat=  876, 878, 889, 891, 
 r1= -89.1, r2= -59.1, r3= -19.1, r4= 10.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (61 GLU C) - (62 VAL N) - (62 VAL CA) - (62 VAL C)  PHI
 &rst iat=  889, 891, 893, 905, 
 r1= -115.6, r2= -85.6, r3= -45.6, r4= -15.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (62 VAL N) - (62 VAL CA) - (62 VAL C) - (63 GLN N)  PSI
 &rst iat=  891, 893, 905, 907, 
 r1= -90.8, r2= -60.8, r3= -20.8, r4= 9.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (62 VAL C) - (63 GLN N) - (63 GLN CA) - (63 GLN C)  PHI
 &rst iat=  905, 907, 909, 922, 
 r1= -112.0, r2= -82.0, r3= -42.0, r4= -12.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (63 GLN N) - (63 GLN CA) - (63 GLN C) - (64 ALA N)  PSI
 &rst iat=  907, 909, 922, 924, 
 r1= -95.9, r2= -65.9, r3= -25.9, r4= 4.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (63 GLN C) - (64 ALA N) - (64 ALA CA) - (64 ALA C)  PHI
 &rst iat=  922, 924, 926, 932, 
 r1= -111.3, r2= -81.3, r3= -41.3, r4= -11.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (64 ALA N) - (64 ALA CA) - (64 ALA C) - (65 LEU N)  PSI
 &rst iat=  924, 926, 932, 934, 
 r1= -93.0, r2= -63.0, r3= -23.0, r4= 7.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (64 ALA C) - (65 LEU N) - (65 LEU CA) - (65 LEU C)  PHI
 &rst iat=  932, 934, 936, 951, 
 r1= -116.5, r2= -86.5, r3= -46.5, r4= -16.5,
 rk2= 32.00, rk3= 32.00, &end
#
#  (65 LEU N) - (65 LEU CA) - (65 LEU C) - (66 LEU N)  PSI
 &rst iat=  934, 936, 951, 953, 
 r1= -92.0, r2= -62.0, r3= -22.0, r4= 8.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (65 LEU C) - (66 LEU N) - (66 LEU CA) - (66 LEU C)  PHI
 &rst iat=  951, 953, 955, 970, 
 r1= -116.8, r2= -86.8, r3= -46.8, r4= -16.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (66 LEU N) - (66 LEU CA) - (66 LEU C) - (67 GLU N)  PSI
 &rst iat=  953, 955, 970, 972, 
 r1= -90.2, r2= -60.2, r3= -20.2, r4= 9.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (66 LEU C) - (67 GLU N) - (67 GLU CA) - (67 GLU C)  PHI
 &rst iat=  970, 972, 974, 985, 
 r1= -114.7, r2= -84.7, r3= -44.7, r4= -14.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (67 GLU N) - (67 GLU CA) - (67 GLU C) - (68 GLY N)  PSI
 &rst iat=  972, 974, 985, 987, 
 r1= -85.7, r2= -55.7, r3= -15.7, r4= 14.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (67 GLU C) - (68 GLY N) - (68 GLY CA) - (68 GLY C)  PHI
 &rst iat=  985, 987, 989, 992, 
 r1= -116.4, r2= -86.4, r3= -46.4, r4= -16.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (68 GLY N) - (68 GLY CA) - (68 GLY C) - (69 THR N)  PSI
 &rst iat=  987, 989, 992, 994, 
 r1= -77.1, r2= -47.1, r3= -2.6, r4= 27.4,
 rk2= 32.00, rk3= 32.00, &end
#
#  (68 GLY C) - (69 THR N) - (69 THR CA) - (69 THR C)  PHI
 &rst iat=  992, 994, 996, 1006, 
 r1= -149.4, r2= -119.4, r3= -62.6, r4= -32.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 THR N) - (69 THR CA) - (69 THR C) - (70 GLY N)  PSI
 &rst iat=  994, 996, 1006, 1008, 
 r1= -71.6, r2= -41.6, r3= 30.8, r4= 60.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (69 THR C) - (70 GLY N) - (70 GLY CA) - (70 GLY C)  PHI
 &rst iat=  1006, 1008, 1010, 1013, 
 r1= 25.9, r2= 55.9, r3= 98.3, r4= 128.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (70 GLY N) - (70 GLY CA) - (70 GLY C) - (71 ARG N)  PSI
 &rst iat=  1008, 1010, 1013, 1015, 
 r1= -27.8, r2= 2.2, r3= 46.1, r4= 76.1,
 rk2= 32.00, rk3= 32.00, &end
#
#  (70 GLY C) - (71 ARG N) - (71 ARG CA) - (71 ARG C)  PHI
 &rst iat=  1013, 1015, 1017, 1037, 
 r1= -175.3, r2= -145.3, r3= -74.6, r4= -44.6,
 rk2= 32.00, rk3= 32.00, &end
#
#  (71 ARG N) - (71 ARG CA) - (71 ARG C) - (72 GLN N)  PSI
 &rst iat=  1015, 1017, 1037, 1039, 
 r1= 48.8, r2= 78.8, r3= 218.8, r4= 248.8,
 rk2= 32.00, rk3= 32.00, &end
#
#  (71 ARG C) - (72 GLN N) - (72 GLN CA) - (72 GLN C)  PHI
 &rst iat=  1037, 1039, 1041, 1054, 
 r1= -180.8, r2= -150.8, r3= -61.0, r4= -31.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 GLN N) - (72 GLN CA) - (72 GLN C) - (73 ALA N)  PSI
 &rst iat=  1039, 1041, 1054, 1056, 
 r1= 67.4, r2= 97.4, r3= 167.3, r4= 197.3,
 rk2= 32.00, rk3= 32.00, &end
#
#  (72 GLN C) - (73 ALA N) - (73 ALA CA) - (73 ALA C)  PHI
 &rst iat=  1054, 1056, 1058, 1064, 
 r1= -199.8, r2= -169.8, r3= -70.7, r4= -40.7,
 rk2= 32.00, rk3= 32.00, &end
#
#  (73 ALA N) - (73 ALA CA) - (73 ALA C) - (74 VAL N)  PSI
 &rst iat=  1056, 1058, 1064, 1066, 
 r1= 81.7, r2= 111.7, r3= 176.2, r4= 206.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (73 ALA C) - (74 VAL N) - (74 VAL CA) - (74 VAL C)  PHI
 &rst iat=  1064, 1066, 1068, 1080, 
 r1= -186.8, r2= -156.8, r3= -78.2, r4= -48.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 VAL N) - (74 VAL CA) - (74 VAL C) - (75 LEU N)  PSI
 &rst iat=  1066, 1068, 1080, 1082, 
 r1= 83.2, r2= 113.2, r3= 161.9, r4= 191.9,
 rk2= 32.00, rk3= 32.00, &end
#
#  (74 VAL C) - (75 LEU N) - (75 LEU CA) - (75 LEU C)  PHI
 &rst iat=  1080, 1082, 1084, 1099, 
 r1= -137.9, r2= -107.9, r3= -52.0, r4= -22.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (75 LEU N) - (75 LEU CA) - (75 LEU C) - (76 LYS N)  PSI
 &rst iat=  1082, 1084, 1099, 1101, 
 r1= 75.0, r2= 105.0, r3= 145.0, r4= 175.0,
 rk2= 32.00, rk3= 32.00, &end
#
#  (77 GLY C) - (78 MET N) - (78 MET CA) - (78 MET C)  PHI
 &rst iat=  1128, 1130, 1132, 1145, 
 r1= -188.0, r2= -158.0, r3= -30.2, r4= -0.2,
 rk2= 32.00, rk3= 32.00, &end
#
#  (78 MET N) - (78 MET CA) - (78 MET C) - (79 GLY N)  PSI
 &rst iat=  1130, 1132, 1145, 1147, 
 r1= 55.6, r2= 85.6, r3= 197.0, r4= 227.0,
 rk2= 32.00, rk3= 32.00, &end


REMARK                                                              
ATOM      1 N    MET     1      26.338  43.171  18.630
ATOM      2 H1   MET     1      26.787  43.806  19.274
ATOM      3 H2   MET     1      26.417  42.232  18.992
ATOM      4 H3   MET     1      25.432  43.544  18.385
ATOM      5 CA   MET     1      27.102  43.170  17.388
ATOM      6 HA   MET     1      27.432  42.159  17.203
ATOM      7 CB   MET     1      26.222  43.627  16.223
ATOM      8 HB2  MET     1      26.848  43.800  15.360
ATOM      9 HB3  MET     1      25.514  42.845  15.993
ATOM     10 CG   MET     1      25.445  44.902  16.511
ATOM     11 HG2  MET     1      24.815  44.737  17.373
ATOM     12 HG3  MET     1      26.147  45.693  16.727
ATOM     13 SD   MET     1      24.407  45.411  15.127
ATOM     14 CE   MET     1      25.643  46.018  13.982
ATOM     15 HE1  MET     1      26.620  45.950  14.438
ATOM     16 HE2  MET     1      25.624  45.421  13.082
ATOM     17 HE3  MET     1      25.431  47.048  13.736
ATOM     18 C    MET     1      28.325  44.074  17.501
ATOM     19 O    MET     1      28.202  45.272  17.758
ATOM     20 N    ALA     2      29.505  43.493  17.309
ATOM     21 H    ALA     2      29.538  42.535  17.107
ATOM     22 CA   ALA     2      30.750  44.248  17.388
ATOM     23 HA   ALA     2      30.643  45.134  16.779
ATOM     24 CB   ALA     2      31.010  44.688  18.821
ATOM     25 HB1  ALA     2      30.393  45.545  19.050
ATOM     26 HB2  ALA     2      30.769  43.880  19.495
ATOM     27 HB3  ALA     2      32.050  44.953  18.932
ATOM     28 C    ALA     2      31.923  43.427  16.864
ATOM     29 O    ALA     2      32.694  43.893  16.025
ATOM     30 N    SER     3      32.053  42.202  17.364
ATOM     31 H    SER     3      31.407  41.887  18.031
ATOM     32 CA   SER     3      33.136  41.318  16.950
ATOM     33 HA   SER     3      33.162  41.309  15.870
ATOM     34 CB   SER     3      34.476  41.836  17.476
ATOM     35 HB2  SER     3      35.151  41.005  17.614
ATOM     36 HB3  SER     3      34.897  42.527  16.760
ATOM     37 OG   SER     3      34.313  42.504  18.715
ATOM     38 HG   SER     3      34.822  42.051  19.392
ATOM     39 C    SER     3      32.897  39.896  17.448
ATOM     40 O    SER     3      32.997  39.620  18.643
ATOM     41 N    ASP     4      32.579  38.997  16.522
ATOM     42 H    ASP     4      32.515  39.279  15.585
ATOM     43 CA   ASP     4      32.327  37.603  16.865
ATOM     44 HA   ASP     4      31.839  37.581  17.828
ATOM     45 CB   ASP     4      31.405  36.959  15.828
ATOM     46 HB2  ASP     4      30.581  37.627  15.624
ATOM     47 HB3  ASP     4      31.961  36.791  14.917
ATOM     48 CG   ASP     4      30.841  35.633  16.298
ATOM     49 OD1  ASP     4      29.638  35.584  16.631
ATOM     50 OD2  ASP     4      31.602  34.644  16.332
ATOM     51 C    ASP     4      33.633  36.820  16.958
ATOM     52 O    ASP     4      33.915  36.182  17.972
ATOM     53 N    SER     5      34.426  36.873  15.892
ATOM     54 H    SER     5      34.145  37.399  15.114
ATOM     55 CA   SER     5      35.700  36.166  15.852
ATOM     56 HA   SER     5      36.172  36.386  14.906
ATOM     57 CB   SER     5      36.610  36.645  16.985
ATOM     58 HB2  SER     5      36.114  37.430  17.534
ATOM     59 HB3  SER     5      36.818  35.818  17.649
ATOM     60 OG   SER     5      37.835  37.144  16.479
ATOM     61 HG   SER     5      38.057  36.685  15.666
ATOM     62 C    SER     5      35.488  34.659  15.957
ATOM     63 O    SER     5      34.356  34.183  16.025
ATOM     64 N    GLY     6      36.588  33.912  15.969
ATOM     65 H    GLY     6      37.465  34.346  15.912
ATOM     66 CA   GLY     6      36.503  32.467  16.066
ATOM     67 HA2  GLY     6      35.528  32.151  15.724
ATOM     68 HA3  GLY     6      37.256  32.029  15.427
ATOM     69 C    GLY     6      36.712  31.966  17.481
ATOM     70 O    GLY     6      37.729  31.343  17.782
ATOM     71 N    ASN     7      35.748  32.242  18.353
ATOM     72 H    ASN     7      34.961  32.743  18.054
ATOM     73 CA   ASN     7      35.833  31.817  19.746
ATOM     74 HA   ASN     7      36.470  30.947  19.789
ATOM     75 CB   ASN     7      36.447  32.927  20.602
ATOM     76 HB2  ASN     7      35.776  33.773  20.619
ATOM     77 HB3  ASN     7      36.585  32.562  21.609
ATOM     78 CG   ASN     7      37.790  33.391  20.071
ATOM     79 OD1  ASN     7      37.864  34.320  19.267
ATOM     80 ND2  ASN     7      38.859  32.744  20.520
ATOM     81 HD21 ASN     7      38.724  32.013  21.159
ATOM     82 HD22 ASN     7      39.740  33.024  20.193
ATOM     83 C    ASN     7      34.455  31.446  20.286
ATOM     84 O    ASN     7      33.609  32.313  20.503
ATOM     85 N    GLN     8      34.239  30.153  20.501
ATOM     86 H    GLN     8      34.953  29.510  20.309
ATOM     87 CA   GLN     8      32.964  29.667  21.016
ATOM     88 HA   GLN     8      32.211  30.405  20.786
ATOM     89 CB   GLN     8      32.588  28.346  20.343
ATOM     90 HB2  GLN     8      31.683  27.969  20.797
ATOM     91 HB3  GLN     8      32.405  28.530  19.294
ATOM     92 CG   GLN     8      33.661  27.277  20.458
ATOM     93 HG2  GLN     8      34.493  27.678  21.018
ATOM     94 HG3  GLN     8      33.250  26.428  20.986
ATOM     95 CD   GLN     8      34.168  26.810  19.108
ATOM     96 OE1  GLN     8      35.349  26.956  18.791
ATOM     97 NE2  GLN     8      33.275  26.244  18.304
ATOM     98 HE21 GLN     8      32.352  26.162  18.623
ATOM     99 HE22 GLN     8      33.575  25.934  17.425
ATOM    100 C    GLN     8      33.023  29.481  22.529
ATOM    101 O    GLN     8      34.043  29.757  23.159
ATOM    102 N    GLY     9      31.921  29.012  23.106
ATOM    103 H    GLY     9      31.138  28.809  22.554
ATOM    104 CA   GLY     9      31.869  28.797  24.541
ATOM    105 HA2  GLY     9      32.620  28.071  24.813
ATOM    106 HA3  GLY     9      32.087  29.730  25.040
ATOM    107 C    GLY     9      30.514  28.300  25.004
ATOM    108 O    GLY     9      29.483  28.893  24.683
ATOM    109 N    THR    10      30.513  27.206  25.759
ATOM    110 H    THR    10      31.367  26.779  25.981
ATOM    111 CA   THR    10      29.275  26.627  26.265
ATOM    112 HA   THR    10      28.452  27.086  25.736
ATOM    113 CB   THR    10      29.223  25.108  26.017
ATOM    114 HB   THR    10      29.173  24.934  24.951
ATOM    115 CG2  THR    10      30.469  24.428  26.562
ATOM    116 HG21 THR    10      31.338  24.790  26.033
ATOM    117 HG22 THR    10      30.384  23.360  26.427
ATOM    118 HG23 THR    10      30.570  24.651  27.614
ATOM    119 OG1  THR    10      28.059  24.550  26.636
ATOM    120 HG1  THR    10      27.371  24.430  25.976
ATOM    121 C    THR    10      29.113  26.893  27.757
ATOM    122 O    THR    10      30.097  27.004  28.489
ATOM    123 N    LEU    11      27.866  26.994  28.203
ATOM    124 H    LEU    11      27.123  26.896  27.572
ATOM    125 CA   LEU    11      27.574  27.246  29.610
ATOM    126 HA   LEU    11      28.033  28.185  29.880
ATOM    127 CB   LEU    11      26.064  27.348  29.828
ATOM    128 HB2  LEU    11      25.605  27.552  28.873
ATOM    129 HB3  LEU    11      25.718  26.391  30.195
ATOM    130 CG   LEU    11      25.598  28.423  30.811
ATOM    131 HG   LEU    11      24.522  28.373  30.906
ATOM    132 CD1  LEU    11      26.202  28.187  32.186
ATOM    133 HD11 LEU    11      27.271  28.333  32.140
ATOM    134 HD12 LEU    11      25.990  27.176  32.503
ATOM    135 HD13 LEU    11      25.773  28.883  32.892
ATOM    136 CD2  LEU    11      25.963  29.808  30.297
ATOM    137 HD21 LEU    11      27.033  29.872  30.163
ATOM    138 HD22 LEU    11      25.645  30.553  31.013
ATOM    139 HD23 LEU    11      25.471  29.983  29.352
ATOM    140 C    LEU    11      28.154  26.144  30.492
ATOM    141 O    LEU    11      27.965  24.957  30.223
ATOM    142 N    CYS    12      28.857  26.545  31.545
ATOM    143 H    CYS    12      28.972  27.505  31.707
ATOM    144 CA   CYS    12      29.462  25.592  32.468
ATOM    145 HA   CYS    12      28.854  24.700  32.469
ATOM    146 CB   CYS    12      30.875  25.231  32.007
ATOM    147 HB2  CYS    12      31.344  26.109  31.587
ATOM    148 HB3  CYS    12      31.449  24.897  32.858
ATOM    149 SG   CYS    12      30.933  23.927  30.756
ATOM    150 HG   CYS    12      31.850  23.046  31.125
ATOM    151 C    CYS    12      29.506  26.158  33.884
ATOM    152 O    CYS    12      29.548  27.373  34.078
ATOM    153 N    THR    13      29.494  25.268  34.872
ATOM    154 H    THR    13      29.459  24.313  34.654
ATOM    155 CA   THR    13      29.528  25.678  36.270
ATOM    156 HA   THR    13      29.229  26.715  36.321
ATOM    157 CB   THR    13      28.549  24.850  37.123
ATOM    158 HB   THR    13      28.984  23.876  37.299
ATOM    159 CG2  THR    13      28.300  25.521  38.465
ATOM    160 HG21 THR    13      27.821  26.476  38.307
ATOM    161 HG22 THR    13      29.241  25.669  38.974
ATOM    162 HG23 THR    13      27.661  24.893  39.067
ATOM    163 OG1  THR    13      27.309  24.688  36.427
ATOM    164 HG1  THR    13      26.685  24.222  36.988
ATOM    165 C    THR    13      30.932  25.540  36.849
ATOM    166 O    THR    13      31.541  24.472  36.777
ATOM    167 N    LEU    14      31.440  26.625  37.423
ATOM    168 H    LEU    14      30.907  27.446  37.449
ATOM    169 CA   LEU    14      32.773  26.624  38.015
ATOM    170 HA   LEU    14      33.165  25.621  37.946
ATOM    171 CB   LEU    14      33.694  27.574  37.248
ATOM    172 HB2  LEU    14      33.146  28.483  37.057
ATOM    173 HB3  LEU    14      34.542  27.794  37.881
ATOM    174 CG   LEU    14      34.227  27.058  35.911
ATOM    175 HG   LEU    14      33.467  26.450  35.439
ATOM    176 CD1  LEU    14      34.544  28.218  34.980
ATOM    177 HD11 LEU    14      33.646  28.521  34.463
ATOM    178 HD12 LEU    14      35.287  27.908  34.259
ATOM    179 HD13 LEU    14      34.927  29.048  35.556
ATOM    180 CD2  LEU    14      35.459  26.192  36.126
ATOM    181 HD21 LEU    14      35.960  26.038  35.182
ATOM    182 HD22 LEU    14      35.161  25.237  36.534
ATOM    183 HD23 LEU    14      36.130  26.684  36.814
ATOM    184 C    LEU    14      32.715  27.029  39.485
ATOM    185 O    LEU    14      32.358  28.160  39.813
ATOM    186 N    GLU    15      33.072  26.099  40.364
ATOM    187 H    GLU    15      33.348  25.216  40.041
ATOM    188 CA   GLU    15      33.063  26.361  41.799
ATOM    189 HA   GLU    15      32.213  26.991  42.015
ATOM    190 CB   GLU    15      32.921  25.051  42.578
ATOM    191 HB2  GLU    15      33.270  24.238  41.959
ATOM    192 HB3  GLU    15      33.535  25.106  43.464
ATOM    193 CG   GLU    15      31.494  24.748  43.004
ATOM    194 HG2  GLU    15      31.085  25.621  43.491
ATOM    195 HG3  GLU    15      30.910  24.520  42.125
ATOM    196 CD   GLU    15      31.408  23.575  43.961
ATOM    197 OE1  GLU    15      32.448  22.925  44.197
ATOM    198 OE2  GLU    15      30.302  23.307  44.474
ATOM    199 C    GLU    15      34.335  27.085  42.228
ATOM    200 O    GLU    15      35.400  26.894  41.641
ATOM    201 N    PHE    16      34.216  27.919  43.256
ATOM    202 H    PHE    16      33.340  28.029  43.683
ATOM    203 CA   PHE    16      35.355  28.674  43.764
ATOM    204 HA   PHE    16      36.253  28.141  43.493
ATOM    205 CB   PHE    16      35.392  30.068  43.133
ATOM    206 HB2  PHE    16      34.383  30.437  43.033
ATOM    207 HB3  PHE    16      35.951  30.731  43.776
ATOM    208 CG   PHE    16      36.030  30.093  41.774
ATOM    209 CD1  PHE    16      35.298  29.765  40.644
ATOM    210 HD1  PHE    16      34.258  29.489  40.748
ATOM    211 CE1  PHE    16      35.882  29.788  39.392
ATOM    212 HE1  PHE    16      35.299  29.529  38.520
ATOM    213 CZ   PHE    16      37.210  30.140  39.257
ATOM    214 HZ   PHE    16      37.668  30.159  38.280
ATOM    215 CE2  PHE    16      37.951  30.470  40.376
ATOM    216 HE2  PHE    16      38.990  30.746  40.273
ATOM    217 CD2  PHE    16      37.362  30.445  41.626
ATOM    218 HD2  PHE    16      37.943  30.703  42.499
ATOM    219 C    PHE    16      35.294  28.793  45.284
ATOM    220 O    PHE    16      34.270  29.180  45.847
ATOM    221 N    ALA    17      36.399  28.457  45.943
ATOM    222 H    ALA    17      37.183  28.156  45.438
ATOM    223 CA   ALA    17      36.473  28.528  47.397
ATOM    224 HA   ALA    17      35.487  28.325  47.791
ATOM    225 CB   ALA    17      37.423  27.465  47.929
ATOM    226 HB1  ALA    17      37.322  26.565  47.339
ATOM    227 HB2  ALA    17      38.438  27.826  47.865
ATOM    228 HB3  ALA    17      37.180  27.249  48.959
ATOM    229 C    ALA    17      36.914  29.913  47.858
ATOM    230 O    ALA    17      38.053  30.321  47.629
ATOM    231 N    VAL    18      36.005  30.633  48.507
ATOM    232 H    VAL    18      35.114  30.253  48.659
ATOM    233 CA   VAL    18      36.300  31.972  49.001
ATOM    234 HA   VAL    18      37.292  32.240  48.666
ATOM    235 CB   VAL    18      35.305  33.008  48.444
ATOM    236 HB   VAL    18      35.413  33.921  49.010
ATOM    237 CG1  VAL    18      35.613  33.313  46.986
ATOM    238 HG11 VAL    18      36.649  33.605  46.890
ATOM    239 HG12 VAL    18      35.429  32.434  46.387
ATOM    240 HG13 VAL    18      34.980  34.120  46.646
ATOM    241 CG2  VAL    18      33.876  32.512  48.603
ATOM    242 HG21 VAL    18      33.658  32.376  49.652
ATOM    243 HG22 VAL    18      33.194  33.239  48.185
ATOM    244 HG23 VAL    18      33.761  31.572  48.086
ATOM    245 C    VAL    18      36.264  32.017  50.524
ATOM    246 O    VAL    18      35.832  31.064  51.172
ATOM    247 N    GLN    19      36.719  33.131  51.089
ATOM    248 H    GLN    19      37.050  33.855  50.519
ATOM    249 CA   GLN    19      36.738  33.300  52.537
ATOM    250 HA   GLN    19      36.392  32.379  52.983
ATOM    251 CB   GLN    19      38.162  33.581  53.020
ATOM    252 HB2  GLN    19      38.542  34.447  52.499
ATOM    253 HB3  GLN    19      38.135  33.791  54.079
ATOM    254 CG   GLN    19      39.123  32.426  52.788
ATOM    255 HG2  GLN    19      38.652  31.511  53.116
ATOM    256 HG3  GLN    19      39.337  32.360  51.732
ATOM    257 CD   GLN    19      40.429  32.593  53.540
ATOM    258 OE1  GLN    19      40.552  33.456  54.410
ATOM    259 NE2  GLN    19      41.413  31.767  53.207
ATOM    260 HE21 GLN    19      41.244  31.105  52.503
ATOM    261 HE22 GLN    19      42.269  31.853  53.676
ATOM    262 C    GLN    19      35.810  34.431  52.966
ATOM    263 O    GLN    19      36.184  35.603  52.923
ATOM    264 N    MET    20      34.599  34.073  53.379
ATOM    265 H    MET    20      34.359  33.122  53.392
ATOM    266 CA   MET    20      33.618  35.059  53.817
ATOM    267 HA   MET    20      34.084  35.678  54.568
ATOM    268 CB   MET    20      33.190  35.940  52.641
ATOM    269 HB2  MET    20      32.373  36.571  52.958
ATOM    270 HB3  MET    20      34.024  36.562  52.351
ATOM    271 CG   MET    20      32.738  35.151  51.423
ATOM    272 HG2  MET    20      32.954  35.728  50.536
ATOM    273 HG3  MET    20      33.289  34.223  51.389
ATOM    274 SD   MET    20      30.975  34.778  51.453
ATOM    275 CE   MET    20      30.775  33.962  49.870
ATOM    276 HE1  MET    20      29.928  33.293  49.914
ATOM    277 HE2  MET    20      30.608  34.703  49.102
ATOM    278 HE3  MET    20      31.668  33.399  49.641
ATOM    279 C    MET    20      32.397  34.378  54.427
ATOM    280 O    MET    20      31.982  33.308  53.981
ATOM    281 N    THR    21      31.826  35.004  55.451
ATOM    282 H    THR    21      32.203  35.853  55.762
ATOM    283 CA   THR    21      30.654  34.457  56.124
ATOM    284 HA   THR    21      30.083  33.898  55.397
ATOM    285 CB   THR    21      31.055  33.502  57.263
ATOM    286 HB   THR    21      31.562  34.072  58.029
ATOM    287 CG2  THR    21      29.827  32.847  57.878
ATOM    288 HG21 THR    21      29.067  33.595  58.047
ATOM    289 HG22 THR    21      30.096  32.387  58.817
ATOM    290 HG23 THR    21      29.447  32.094  57.204
ATOM    291 OG1  THR    21      31.942  32.493  56.768
ATOM    292 HG1  THR    21      31.566  32.095  55.979
ATOM    293 C    THR    21      29.778  35.568  56.692
ATOM    294 O    THR    21      30.040  36.085  57.779
ATOM    295 N    CYG    22      28.737  35.931  55.951
ATOM    296 H    CYG    22      28.580  35.482  55.094
ATOM    297 CA   CYG    22      27.821  36.981  56.381
ATOM    298 HA   CYG    22      27.397  36.685  57.328
ATOM    299 CB   CYG    22      28.574  38.301  56.564
ATOM    300 HB3  CYG    22      29.069  38.294  57.523
ATOM    301 HB2  CYG    22      27.867  39.117  56.535
ATOM    302 SG   CYG    22      29.836  38.619  55.289
ATOM    303 C    CYG    22      26.691  37.164  55.372
ATOM    304 O    CYG    22      26.739  36.624  54.267
ATOM    305 N    GLN    23      25.675  37.927  55.762
ATOM    306 H    GLN    23      25.694  38.330  56.655
ATOM    307 CA   GLN    23      24.533  38.180  54.892
ATOM    308 HA   GLN    23      24.346  37.283  54.321
ATOM    309 CB   GLN    23      23.292  38.506  55.725
ATOM    310 HB2  GLN    23      23.608  38.863  56.694
ATOM    311 HB3  GLN    23      22.733  39.285  55.228
ATOM    312 CG   GLN    23      22.369  37.317  55.933
ATOM    313 HG2  GLN    23      22.890  36.417  55.641
ATOM    314 HG3  GLN    23      22.109  37.257  56.979
ATOM    315 CD   GLN    23      21.092  37.420  55.122
ATOM    316 OE1  GLN    23      20.094  37.975  55.582
ATOM    317 NE2  GLN    23      21.118  36.885  53.906
ATOM    318 HE21 GLN    23      21.948  36.458  53.607
ATOM    319 HE22 GLN    23      20.307  36.937  53.361
ATOM    320 C    GLN    23      24.826  39.324  53.927
ATOM    321 O    GLN    23      24.072  39.563  52.983
ATOM    322 N    SER    24      25.927  40.029  54.169
ATOM    323 H    SER    24      26.487  39.790  54.937
ATOM    324 CA   SER    24      26.318  41.151  53.324
ATOM    325 HA   SER    24      25.417  41.647  52.993
ATOM    326 CB   SER    24      27.169  42.143  54.118
ATOM    327 HB2  SER    24      27.511  41.673  55.027
ATOM    328 HB3  SER    24      28.020  42.440  53.523
ATOM    329 OG   SER    24      26.422  43.299  54.456
ATOM    330 HG   SER    24      27.017  43.984  54.773
ATOM    331 C    SER    24      27.090  40.666  52.101
ATOM    332 O    SER    24      26.967  41.227  51.012
ATOM    333 N    CYG    25      27.887  39.620  52.289
ATOM    334 H    CYG    25      27.943  39.215  53.181
ATOM    335 CA   CYG    25      28.681  39.058  51.203
ATOM    336 HA   CYG    25      29.139  39.876  50.668
ATOM    337 CB   CYG    25      29.780  38.152  51.763
ATOM    338 HB3  CYG    25      29.970  37.354  51.061
ATOM    339 HB2  CYG    25      29.445  37.730  52.699
ATOM    340 SG   CYG    25      31.359  39.005  52.075
ATOM    341 C    CYG    25      27.801  38.270  50.237
ATOM    342 O    CYG    25      27.952  38.372  49.019
ATOM    343 N    VAL    26      26.881  37.485  50.788
ATOM    344 H    VAL    26      26.809  37.447  51.765
ATOM    345 CA   VAL    26      25.975  36.681  49.976
ATOM    346 HA   VAL    26      26.568  35.972  49.418
ATOM    347 CB   VAL    26      24.982  35.897  50.854
ATOM    348 HB   VAL    26      24.471  36.597  51.498
ATOM    349 CG1  VAL    26      23.942  35.200  49.990
ATOM    350 HG11 VAL    26      23.349  35.940  49.473
ATOM    351 HG12 VAL    26      24.438  34.566  49.269
ATOM    352 HG13 VAL    26      23.299  34.598  50.616
ATOM    353 CG2  VAL    26      25.720  34.894  51.728
ATOM    354 HG21 VAL    26      25.760  33.940  51.224
ATOM    355 HG22 VAL    26      26.725  35.247  51.911
ATOM    356 HG23 VAL    26      25.200  34.785  52.668
ATOM    357 C    VAL    26      25.195  37.552  48.998
ATOM    358 O    VAL    26      24.965  37.164  47.853
ATOM    359 N    ASP    27      24.791  38.731  49.457
ATOM    360 H    ASP    27      25.005  38.984  50.379
ATOM    361 CA   ASP    27      24.037  39.659  48.622
ATOM    362 HA   ASP    27      23.381  39.079  47.990
ATOM    363 CB   ASP    27      23.193  40.592  49.492
ATOM    364 HB2  ASP    27      23.627  40.644  50.479
ATOM    365 HB3  ASP    27      23.188  41.578  49.052
ATOM    366 CG   ASP    27      21.758  40.119  49.625
ATOM    367 OD1  ASP    27      21.313  39.886  50.768
ATOM    368 OD2  ASP    27      21.080  39.982  48.585
ATOM    369 C    ASP    27      24.973  40.477  47.737
ATOM    370 O    ASP    27      24.559  41.015  46.710
ATOM    371 N    ALA    28      26.235  40.567  48.144
ATOM    372 H    ALA    28      26.504  40.116  48.971
ATOM    373 CA   ALA    28      27.229  41.319  47.388
ATOM    374 HA   ALA    28      26.750  42.203  46.992
ATOM    375 CB   ALA    28      28.361  41.764  48.302
ATOM    376 HB1  ALA    28      28.214  42.799  48.577
ATOM    377 HB2  ALA    28      28.367  41.152  49.191
ATOM    378 HB3  ALA    28      29.303  41.659  47.785
ATOM    379 C    ALA    28      27.777  40.493  46.229
ATOM    380 O    ALA    28      27.638  40.870  45.065
ATOM    381 N    VAL    29      28.400  39.365  46.554
ATOM    382 H    VAL    29      28.478  39.118  47.499
ATOM    383 CA   VAL    29      28.968  38.486  45.539
ATOM    384 HA   VAL    29      29.803  38.998  45.083
ATOM    385 CB   VAL    29      29.486  37.174  46.159
ATOM    386 HB   VAL    29      28.635  36.572  46.441
ATOM    387 CG1  VAL    29      30.308  36.392  45.146
ATOM    388 HG11 VAL    29      30.496  35.399  45.526
ATOM    389 HG12 VAL    29      29.764  36.326  44.215
ATOM    390 HG13 VAL    29      31.248  36.897  44.979
ATOM    391 CG2  VAL    29      30.302  37.463  47.410
ATOM    392 HG21 VAL    29      30.500  38.523  47.474
ATOM    393 HG22 VAL    29      29.749  37.148  48.283
ATOM    394 HG23 VAL    29      31.237  36.924  47.364
ATOM    395 C    VAL    29      27.942  38.155  44.462
ATOM    396 O    VAL    29      28.279  38.039  43.283
ATOM    397 N    ARG    30      26.687  38.003  44.874
ATOM    398 H    ARG    30      26.481  38.108  45.826
ATOM    399 CA   ARG    30      25.611  37.685  43.943
ATOM    400 HA   ARG    30      25.886  36.785  43.413
ATOM    401 CB   ARG    30      24.307  37.436  44.704
ATOM    402 HB2  ARG    30      24.307  38.038  45.601
ATOM    403 HB3  ARG    30      23.478  37.733  44.080
ATOM    404 CG   ARG    30      24.105  35.984  45.107
ATOM    405 HG2  ARG    30      24.493  35.346  44.326
ATOM    406 HG3  ARG    30      24.640  35.797  46.026
ATOM    407 CD   ARG    30      22.633  35.664  45.316
ATOM    408 HD2  ARG    30      22.471  35.443  46.360
ATOM    409 HD3  ARG    30      22.048  36.528  45.036
ATOM    410 NE   ARG    30      22.203  34.520  44.517
ATOM    411 HE   ARG    30      22.895  33.911  44.186
ATOM    412 CZ   ARG    30      20.933  34.267  44.220
ATOM    413 NH1  ARG    30      19.974  35.073  44.654
ATOM    414 HH11 ARG    30      20.206  35.874  45.206
ATOM    415 HH12 ARG    30      19.018  34.881  44.429
ATOM    416 NH2  ARG    30      20.620  33.205  43.488
ATOM    417 HH21 ARG    30      21.340  32.596  43.159
ATOM    418 HH22 ARG    30      19.664  33.016  43.266
ATOM    419 C    ARG    30      25.415  38.811  42.932
ATOM    420 O    ARG    30      25.291  38.568  41.732
ATOM    421 N    LYS    31      25.387  40.044  43.426
ATOM    422 H    LYS    31      25.491  40.174  44.392
ATOM    423 CA   LYS    31      25.207  41.209  42.567
ATOM    424 HA   LYS    31      24.297  41.068  42.003
ATOM    425 CB   LYS    31      25.077  42.477  43.414
ATOM    426 HB2  LYS    31      25.955  42.572  44.035
ATOM    427 HB3  LYS    31      25.019  43.331  42.754
ATOM    428 CG   LYS    31      23.853  42.485  44.313
ATOM    429 HG2  LYS    31      23.656  41.477  44.647
ATOM    430 HG3  LYS    31      24.050  43.117  45.168
ATOM    431 CD   LYS    31      22.628  43.009  43.583
ATOM    432 HD2  LYS    31      22.118  43.719  44.218
ATOM    433 HD3  LYS    31      22.944  43.500  42.673
ATOM    434 CE   LYS    31      21.666  41.885  43.231
ATOM    435 HE2  LYS    31      21.026  42.216  42.427
ATOM    436 HE3  LYS    31      22.238  41.028  42.907
ATOM    437 NZ   LYS    31      20.821  41.493  44.393
ATOM    438 HZ1  LYS    31      21.124  40.568  44.758
ATOM    439 HZ2  LYS    31      19.824  41.430  44.105
ATOM    440 HZ3  LYS    31      20.907  42.199  45.152
ATOM    441 C    LYS    31      26.372  41.352  41.593
ATOM    442 O    LYS    31      26.178  41.679  40.423
ATOM    443 N    SER    32      27.582  41.104  42.085
ATOM    444 H    SER    32      27.672  40.847  43.027
ATOM    445 CA   SER    32      28.779  41.208  41.258
ATOM    446 HA   SER    32      28.884  42.239  40.954
ATOM    447 CB   SER    32      30.015  40.797  42.059
ATOM    448 HB2  SER    32      30.049  41.361  42.979
ATOM    449 HB3  SER    32      29.959  39.742  42.286
ATOM    450 OG   SER    32      31.203  41.044  41.327
ATOM    451 HG   SER    32      31.186  40.543  40.509
ATOM    452 C    SER    32      28.655  40.337  40.011
ATOM    453 O    SER    32      29.268  40.618  38.980
ATOM    454 N    LEU    33      27.857  39.280  40.112
ATOM    455 H    LEU    33      27.395  39.109  40.959
ATOM    456 CA   LEU    33      27.651  38.367  38.993
ATOM    457 HA   LEU    33      28.561  38.343  38.413
ATOM    458 CB   LEU    33      27.350  36.958  39.508
ATOM    459 HB2  LEU    33      26.356  36.965  39.927
ATOM    460 HB3  LEU    33      27.378  36.286  38.662
ATOM    461 CG   LEU    33      28.304  36.415  40.572
ATOM    462 HG   LEU    33      28.821  37.242  41.039
ATOM    463 CD1  LEU    33      27.531  35.675  41.653
ATOM    464 HD11 LEU    33      27.993  35.854  42.612
ATOM    465 HD12 LEU    33      27.540  34.616  41.441
ATOM    466 HD13 LEU    33      26.511  36.029  41.673
ATOM    467 CD2  LEU    33      29.346  35.504  39.940
ATOM    468 HD21 LEU    33      30.246  36.068  39.745
ATOM    469 HD22 LEU    33      28.961  35.107  39.011
ATOM    470 HD23 LEU    33      29.569  34.691  40.614
ATOM    471 C    LEU    33      26.512  38.849  38.100
ATOM    472 O    LEU    33      26.565  38.705  36.879
ATOM    473 N    GLN    34      25.484  39.422  38.718
ATOM    474 H    GLN    34      25.500  39.508  39.694
ATOM    475 CA   GLN    34      24.333  39.926  37.978
ATOM    476 HA   GLN    34      23.986  39.138  37.328
ATOM    477 CB   GLN    34      23.208  40.307  38.942
ATOM    478 HB2  GLN    34      23.301  39.712  39.839
ATOM    479 HB3  GLN    34      23.308  41.351  39.200
ATOM    480 CG   GLN    34      21.817  40.090  38.369
ATOM    481 HG2  GLN    34      21.553  40.945  37.763
ATOM    482 HG3  GLN    34      21.830  39.204  37.752
ATOM    483 CD   GLN    34      20.762  39.917  39.444
ATOM    484 OE1  GLN    34      19.903  40.779  39.632
ATOM    485 NE2  GLN    34      20.822  38.799  40.158
ATOM    486 HE21 GLN    34      21.535  38.157  39.953
ATOM    487 HE22 GLN    34      20.154  38.661  40.860
ATOM    488 C    GLN    34      24.718  41.131  37.127
ATOM    489 O    GLN    34      25.076  42.186  37.651
ATOM    490 N    GLY    35      24.644  40.967  35.809
ATOM    491 H    GLY    35      24.352  40.104  35.448
ATOM    492 CA   GLY    35      24.988  42.050  34.906
ATOM    493 HA2  GLY    35      24.143  42.252  34.265
ATOM    494 HA3  GLY    35      25.206  42.933  35.488
ATOM    495 C    GLY    35      26.192  41.724  34.044
ATOM    496 O    GLY    35      26.689  42.580  33.312
ATOM    497 N    VAL    36      26.663  40.484  34.131
ATOM    498 H    VAL    36      26.223  39.848  34.733
ATOM    499 CA   VAL    36      27.816  40.048  33.353
ATOM    500 HA   VAL    36      28.337  40.929  33.006
ATOM    501 CB   VAL    36      28.789  39.217  34.210
ATOM    502 HB   VAL    36      28.242  38.391  34.641
ATOM    503 CG1  VAL    36      29.907  38.649  33.350
ATOM    504 HG11 VAL    36      29.516  37.855  32.730
ATOM    505 HG12 VAL    36      30.312  39.430  32.724
ATOM    506 HG13 VAL    36      30.687  38.256  33.986
ATOM    507 CG2  VAL    36      29.353  40.059  35.344
ATOM    508 HG21 VAL    36      28.542  40.518  35.889
ATOM    509 HG22 VAL    36      29.924  39.430  36.012
ATOM    510 HG23 VAL    36      29.995  40.827  34.938
ATOM    511 C    VAL    36      27.384  39.221  32.147
ATOM    512 O    VAL    36      26.817  38.139  32.295
ATOM    513 N    ALA    37      27.657  39.739  30.954
ATOM    514 H    ALA    37      28.111  40.606  30.901
ATOM    515 CA   ALA    37      27.300  39.047  29.722
ATOM    516 HA   ALA    37      26.221  39.016  29.658
ATOM    517 CB   ALA    37      27.823  39.814  28.516
ATOM    518 HB1  ALA    37      27.032  39.919  27.787
ATOM    519 HB2  ALA    37      28.158  40.791  28.828
ATOM    520 HB3  ALA    37      28.648  39.273  28.076
ATOM    521 C    ALA    37      27.836  37.620  29.717
ATOM    522 O    ALA    37      29.015  37.389  29.985
ATOM    523 N    GLY    38      26.963  36.665  29.412
ATOM    524 H    GLY    38      26.036  36.909  29.208
ATOM    525 CA   GLY    38      27.368  35.272  29.380
ATOM    526 HA2  GLY    38      26.927  34.800  28.515
ATOM    527 HA3  GLY    38      28.444  35.224  29.295
ATOM    528 C    GLY    38      26.942  34.515  30.622
ATOM    529 O    GLY    38      26.944  33.284  30.640
ATOM    530 N    VAL    39      26.576  35.252  31.666
ATOM    531 H    VAL    39      26.595  36.229  31.592
ATOM    532 CA   VAL    39      26.146  34.643  32.919
ATOM    533 HA   VAL    39      26.788  33.798  33.117
ATOM    534 CB   VAL    39      26.270  35.631  34.095
ATOM    535 HB   VAL    39      25.829  36.571  33.797
ATOM    536 CG1  VAL    39      25.512  35.114  35.308
ATOM    537 HG11 VAL    39      25.391  34.044  35.228
ATOM    538 HG12 VAL    39      26.066  35.348  36.206
ATOM    539 HG13 VAL    39      24.540  35.583  35.352
ATOM    540 CG2  VAL    39      27.732  35.875  34.433
ATOM    541 HG21 VAL    39      28.206  34.935  34.676
ATOM    542 HG22 VAL    39      28.230  36.319  33.584
ATOM    543 HG23 VAL    39      27.800  36.542  35.279
ATOM    544 C    VAL    39      24.704  34.158  32.827
ATOM    545 O    VAL    39      23.789  34.943  32.578
ATOM    546 N    GLN    40      24.508  32.859  33.032
ATOM    547 H    GLN    40      25.277  32.285  33.227
ATOM    548 CA   GLN    40      23.176  32.269  32.972
ATOM    549 HA   GLN    40      22.530  32.962  32.455
ATOM    550 CB   GLN    40      23.214  30.951  32.196
ATOM    551 HB2  GLN    40      24.153  30.457  32.394
ATOM    552 HB3  GLN    40      22.406  30.322  32.539
ATOM    553 CG   GLN    40      23.075  31.126  30.692
ATOM    554 HG2  GLN    40      23.731  31.922  30.373
ATOM    555 HG3  GLN    40      23.365  30.206  30.207
ATOM    556 CD   GLN    40      21.659  31.469  30.273
ATOM    557 OE1  GLN    40      21.238  32.624  30.352
ATOM    558 NE2  GLN    40      20.914  30.466  29.824
ATOM    559 HE21 GLN    40      21.316  29.572  29.790
ATOM    560 HE22 GLN    40      19.995  30.659  29.547
ATOM    561 C    GLN    40      22.622  32.032  34.373
ATOM    562 O    GLN    40      21.430  32.216  34.619
ATOM    563 N    ASP    41      23.495  31.622  35.287
ATOM    564 H    ASP    41      24.432  31.493  35.030
ATOM    565 CA   ASP    41      23.093  31.361  36.664
ATOM    566 HA   ASP    41      22.335  32.082  36.931
ATOM    567 CB   ASP    41      22.505  29.954  36.788
ATOM    568 HB2  ASP    41      23.244  29.233  36.470
ATOM    569 HB3  ASP    41      22.248  29.768  37.820
ATOM    570 CG   ASP    41      21.261  29.770  35.942
ATOM    571 OD1  ASP    41      21.382  29.248  34.813
ATOM    572 OD2  ASP    41      20.166  30.146  36.408
ATOM    573 C    ASP    41      24.276  31.517  37.614
ATOM    574 O    ASP    41      25.432  31.504  37.191
ATOM    575 N    VAL    42      23.979  31.665  38.902
ATOM    576 H    VAL    42      23.039  31.668  39.178
ATOM    577 CA   VAL    42      25.018  31.824  39.912
ATOM    578 HA   VAL    42      25.871  31.235  39.610
ATOM    579 CB   VAL    42      25.463  33.294  40.033
ATOM    580 HB   VAL    42      26.034  33.402  40.944
ATOM    581 CG1  VAL    42      26.356  33.679  38.864
ATOM    582 HG11 VAL    42      26.840  32.795  38.474
ATOM    583 HG12 VAL    42      25.758  34.135  38.089
ATOM    584 HG13 VAL    42      27.106  34.380  39.200
ATOM    585 CG2  VAL    42      24.253  34.212  40.116
ATOM    586 HG21 VAL    42      24.004  34.568  39.127
ATOM    587 HG22 VAL    42      23.414  33.667  40.524
ATOM    588 HG23 VAL    42      24.481  35.052  40.755
ATOM    589 C    VAL    42      24.538  31.336  41.275
ATOM    590 O    VAL    42      23.337  31.264  41.531
ATOM    591 N    GLU    43      25.486  31.003  42.145
ATOM    592 H    GLU    43      26.426  31.082  41.882
ATOM    593 CA   GLU    43      25.159  30.521  43.482
ATOM    594 HA   GLU    43      24.239  30.996  43.790
ATOM    595 CB   GLU    43      24.955  29.005  43.466
ATOM    596 HB2  GLU    43      25.361  28.609  42.548
ATOM    597 HB3  GLU    43      25.488  28.574  44.301
ATOM    598 CG   GLU    43      23.498  28.586  43.564
ATOM    599 HG2  GLU    43      23.451  27.583  43.962
ATOM    600 HG3  GLU    43      22.986  29.261  44.234
ATOM    601 CD   GLU    43      22.793  28.608  42.222
ATOM    602 OE1  GLU    43      23.395  28.150  41.229
ATOM    603 OE2  GLU    43      21.639  29.083  42.165
ATOM    604 C    GLU    43      26.257  30.887  44.476
ATOM    605 O    GLU    43      27.444  30.835  44.154
ATOM    606 N    VAL    44      25.852  31.259  45.687
ATOM    607 H    VAL    44      24.893  31.281  45.884
ATOM    608 CA   VAL    44      26.801  31.634  46.728
ATOM    609 HA   VAL    44      27.796  31.415  46.369
ATOM    610 CB   VAL    44      26.722  33.139  47.045
ATOM    611 HB   VAL    44      25.709  33.372  47.338
ATOM    612 CG1  VAL    44      27.645  33.491  48.201
ATOM    613 HG11 VAL    44      28.656  33.201  47.955
ATOM    614 HG12 VAL    44      27.607  34.555  48.381
ATOM    615 HG13 VAL    44      27.327  32.964  49.089
ATOM    616 CG2  VAL    44      27.062  33.961  45.811
ATOM    617 HG21 VAL    44      28.022  34.435  45.949
ATOM    618 HG22 VAL    44      27.101  33.314  44.946
ATOM    619 HG23 VAL    44      26.305  34.716  45.661
ATOM    620 C    VAL    44      26.553  30.843  48.008
ATOM    621 O    VAL    44      25.630  31.143  48.767
ATOM    622 N    HID    45      27.382  29.830  48.242
ATOM    623 H    HID    45      28.097  29.640  47.600
ATOM    624 CA   HID    45      27.253  28.996  49.431
ATOM    625 HA   HID    45      26.206  28.949  49.692
ATOM    626 CB   HID    45      27.758  27.581  49.145
ATOM    627 HB2  HID    45      28.606  27.637  48.479
ATOM    628 HB3  HID    45      28.064  27.120  50.073
ATOM    629 CG   HID    45      26.731  26.696  48.507
ATOM    630 ND1  HID    45      26.050  25.716  49.197
ATOM    631 HD1  HID    45      26.163  25.501  50.146
ATOM    632 CE1  HID    45      25.215  25.103  48.377
ATOM    633 HE1  HID    45      24.552  24.292  48.639
ATOM    634 NE2  HID    45      25.329  25.651  47.181
ATOM    635 CD2  HID    45      26.270  26.649  47.236
ATOM    636 HD2  HID    45      26.583  27.280  46.415
ATOM    637 C    HID    45      28.024  29.596  50.603
ATOM    638 O    HID    45      29.256  29.615  50.604
ATOM    639 N    LEU    46      27.292  30.087  51.597
ATOM    640 H    LEU    46      26.315  30.044  51.539
ATOM    641 CA   LEU    46      27.907  30.690  52.774
ATOM    642 HA   LEU    46      28.777  31.240  52.449
ATOM    643 CB   LEU    46      26.930  31.654  53.448
ATOM    644 HB2  LEU    46      26.302  32.079  52.679
ATOM    645 HB3  LEU    46      26.320  31.081  54.132
ATOM    646 CG   LEU    46      27.557  32.808  54.231
ATOM    647 HG   LEU    46      28.258  32.408  54.950
ATOM    648 CD1  LEU    46      28.321  33.734  53.296
ATOM    649 HD11 LEU    46      29.371  33.707  53.543
ATOM    650 HD12 LEU    46      27.951  34.742  53.407
ATOM    651 HD13 LEU    46      28.182  33.409  52.275
ATOM    652 CD2  LEU    46      26.489  33.579  54.992
ATOM    653 HD21 LEU    46      25.659  32.923  55.211
ATOM    654 HD22 LEU    46      26.144  34.407  54.389
ATOM    655 HD23 LEU    46      26.905  33.954  55.915
ATOM    656 C    LEU    46      28.348  29.618  53.767
ATOM    657 O    LEU    46      29.327  29.795  54.491
ATOM    658 N    GLU    47      27.618  28.507  53.793
ATOM    659 H    GLU    47      26.849  28.426  53.192
ATOM    660 CA   GLU    47      27.935  27.407  54.696
ATOM    661 HA   GLU    47      28.135  27.826  55.671
ATOM    662 CB   GLU    47      26.749  26.446  54.802
ATOM    663 HB2  GLU    47      26.444  26.160  53.806
ATOM    664 HB3  GLU    47      27.063  25.564  55.340
ATOM    665 CG   GLU    47      25.547  27.039  55.518
ATOM    666 HG2  GLU    47      25.489  26.614  56.509
ATOM    667 HG3  GLU    47      25.681  28.108  55.595
ATOM    668 CD   GLU    47      24.243  26.764  54.795
ATOM    669 OE1  GLU    47      24.170  27.038  53.579
ATOM    670 OE2  GLU    47      23.295  26.275  55.445
ATOM    671 C    GLU    47      29.174  26.653  54.222
ATOM    672 O    GLU    47      29.953  26.147  55.029
ATOM    673 N    ASP    48      29.348  26.582  52.906
ATOM    674 H    ASP    48      28.691  27.005  52.314
ATOM    675 CA   ASP    48      30.491  25.890  52.323
ATOM    676 HA   ASP    48      30.957  25.305  53.101
ATOM    677 CB   ASP    48      30.031  24.954  51.204
ATOM    678 HB2  ASP    48      29.021  25.211  50.921
ATOM    679 HB3  ASP    48      30.682  25.077  50.351
ATOM    680 CG   ASP    48      30.056  23.497  51.622
ATOM    681 OD1  ASP    48      29.683  23.204  52.777
ATOM    682 OD2  ASP    48      30.448  22.649  50.793
ATOM    683 C    ASP    48      31.511  26.887  51.781
ATOM    684 O    ASP    48      32.564  26.500  51.276
ATOM    685 N    GLN    49      31.190  28.173  51.891
ATOM    686 H    GLN    49      30.336  28.419  52.303
ATOM    687 CA   GLN    49      32.078  29.225  51.410
ATOM    688 HA   GLN    49      31.537  30.158  51.451
ATOM    689 CB   GLN    49      33.314  29.326  52.305
ATOM    690 HB2  GLN    49      33.927  28.451  52.152
ATOM    691 HB3  GLN    49      33.876  30.205  52.024
ATOM    692 CG   GLN    49      32.986  29.426  53.786
ATOM    693 HG2  GLN    49      32.558  30.398  53.983
ATOM    694 HG3  GLN    49      32.266  28.660  54.034
ATOM    695 CD   GLN    49      34.206  29.248  54.668
ATOM    696 OE1  GLN    49      35.321  29.603  54.283
ATOM    697 NE2  GLN    49      34.002  28.696  55.858
ATOM    698 HE21 GLN    49      33.087  28.437  56.097
ATOM    699 HE22 GLN    49      34.773  28.569  56.448
ATOM    700 C    GLN    49      32.500  28.964  49.968
ATOM    701 O    GLN    49      33.681  29.046  49.633
ATOM    702 N    MET    50      31.527  28.650  49.119
ATOM    703 H    MET    50      30.604  28.601  49.446
ATOM    704 CA   MET    50      31.798  28.379  47.712
ATOM    705 HA   MET    50      32.851  28.542  47.541
ATOM    706 CB   MET    50      31.459  26.925  47.377
ATOM    707 HB2  MET    50      31.847  26.288  48.158
ATOM    708 HB3  MET    50      30.386  26.818  47.336
ATOM    709 CG   MET    50      32.036  26.457  46.050
ATOM    710 HG2  MET    50      31.227  26.110  45.424
ATOM    711 HG3  MET    50      32.525  27.293  45.572
ATOM    712 SD   MET    50      33.230  25.121  46.244
ATOM    713 CE   MET    50      34.565  25.978  47.075
ATOM    714 HE1  MET    50      35.044  25.308  47.774
ATOM    715 HE2  MET    50      35.287  26.313  46.345
ATOM    716 HE3  MET    50      34.169  26.831  47.608
ATOM    717 C    MET    50      31.001  29.319  46.813
ATOM    718 O    MET    50      29.911  29.763  47.174
ATOM    719 N    VAL    51      31.552  29.619  45.641
ATOM    720 H    VAL    51      32.423  29.233  45.410
ATOM    721 CA   VAL    51      30.893  30.506  44.691
ATOM    722 HA   VAL    51      29.903  30.721  45.066
ATOM    723 CB   VAL    51      31.653  31.837  44.544
ATOM    724 HB   VAL    51      32.584  31.641  44.031
ATOM    725 CG1  VAL    51      30.849  32.823  43.710
ATOM    726 HG11 VAL    51      31.334  33.787  43.727
ATOM    727 HG12 VAL    51      30.787  32.467  42.692
ATOM    728 HG13 VAL    51      29.854  32.914  44.122
ATOM    729 CG2  VAL    51      31.975  32.420  45.911
ATOM    730 HG21 VAL    51      32.596  31.728  46.460
ATOM    731 HG22 VAL    51      32.501  33.356  45.790
ATOM    732 HG23 VAL    51      31.058  32.591  46.455
ATOM    733 C    VAL    51      30.770  29.849  43.320
ATOM    734 O    VAL    51      31.771  29.593  42.650
ATOM    735 N    LEU    52      29.536  29.579  42.909
ATOM    736 H    LEU    52      28.778  29.806  43.486
ATOM    737 CA   LEU    52      29.281  28.952  41.616
ATOM    738 HA   LEU    52      30.186  28.449  41.308
ATOM    739 CB   LEU    52      28.156  27.923  41.740
ATOM    740 HB2  LEU    52      27.322  28.402  42.230
ATOM    741 HB3  LEU    52      27.865  27.631  40.741
ATOM    742 CG   LEU    52      28.491  26.652  42.521
ATOM    743 HG   LEU    52      29.532  26.681  42.813
ATOM    744 CD1  LEU    52      27.651  26.565  43.785
ATOM    745 HD11 LEU    52      27.418  25.532  43.993
ATOM    746 HD12 LEU    52      26.735  27.120  43.648
ATOM    747 HD13 LEU    52      28.204  26.984  44.614
ATOM    748 CD2  LEU    52      28.280  25.420  41.652
ATOM    749 HD21 LEU    52      27.340  25.508  41.127
ATOM    750 HD22 LEU    52      28.261  24.539  42.276
ATOM    751 HD23 LEU    52      29.086  25.341  40.938
ATOM    752 C    LEU    52      28.917  29.997  40.566
ATOM    753 O    LEU    52      28.116  30.896  40.822
ATOM    754 N    VAL    53      29.510  29.871  39.383
ATOM    755 H    VAL    53      30.140  29.134  39.240
ATOM    756 CA   VAL    53      29.246  30.802  38.293
ATOM    757 HA   VAL    53      28.386  31.397  38.563
ATOM    758 CB   VAL    53      30.438  31.751  38.064
ATOM    759 HB   VAL    53      31.308  31.154  37.834
ATOM    760 CG1  VAL    53      30.168  32.673  36.885
ATOM    761 HG11 VAL    53      29.279  33.255  37.080
ATOM    762 HG12 VAL    53      31.010  33.334  36.745
ATOM    763 HG13 VAL    53      30.021  32.082  35.993
ATOM    764 CG2  VAL    53      30.729  32.553  39.323
ATOM    765 HG21 VAL    53      31.244  31.927  40.037
ATOM    766 HG22 VAL    53      31.351  33.401  39.075
ATOM    767 HG23 VAL    53      29.801  32.901  39.752
ATOM    768 C    VAL    53      28.946  30.059  36.996
ATOM    769 O    VAL    53      29.844  29.501  36.365
ATOM    770 N    HID    54      27.676  30.056  36.603
ATOM    771 H    HID    54      27.006  30.518  37.148
ATOM    772 CA   HID    54      27.256  29.382  35.379
ATOM    773 HA   HID    54      27.932  28.558  35.206
ATOM    774 CB   HID    54      25.837  28.836  35.534
ATOM    775 HB2  HID    54      25.137  29.658  35.509
ATOM    776 HB3  HID    54      25.625  28.164  34.714
ATOM    777 CG   HID    54      25.619  28.086  36.812
ATOM    778 ND1  HID    54      25.385  26.728  36.858
ATOM    779 HD1  HID    54      25.336  26.129  36.084
ATOM    780 CE1  HID    54      25.233  26.351  38.115
ATOM    781 HE1  HID    54      25.037  25.345  38.454
ATOM    782 NE2  HID    54      25.361  27.415  38.887
ATOM    783 CD2  HID    54      25.603  28.512  38.097
ATOM    784 HD2  HID    54      25.753  29.527  38.438
ATOM    785 C    HID    54      27.322  30.331  34.186
ATOM    786 O    HID    54      26.426  31.150  33.980
ATOM    787 N    THR    55      28.390  30.216  33.403
ATOM    788 H    THR    55      29.070  29.544  33.619
ATOM    789 CA   THR    55      28.574  31.064  32.232
ATOM    790 HA   THR    55      27.597  31.360  31.878
ATOM    791 CB   THR    55      29.368  32.337  32.580
ATOM    792 HB   THR    55      28.875  32.838  33.400
ATOM    793 CG2  THR    55      30.787  31.989  33.006
ATOM    794 HG21 THR    55      31.326  31.581  32.163
ATOM    795 HG22 THR    55      30.755  31.260  33.801
ATOM    796 HG23 THR    55      31.286  32.881  33.354
ATOM    797 OG1  THR    55      29.406  33.215  31.449
ATOM    798 HG1  THR    55      29.205  34.110  31.733
ATOM    799 C    THR    55      29.297  30.315  31.118
ATOM    800 O    THR    55      29.798  29.209  31.323
ATOM    801 N    THR    56      29.349  30.925  29.938
ATOM    802 H    THR    56      28.931  31.805  29.838
ATOM    803 CA   THR    56      30.010  30.315  28.792
ATOM    804 HA   THR    56      30.028  29.246  28.946
ATOM    805 CB   THR    56      29.248  30.603  27.484
ATOM    806 HB   THR    56      29.633  29.955  26.710
ATOM    807 CG2  THR    56      27.761  30.328  27.653
ATOM    808 HG21 THR    56      27.321  30.126  26.688
ATOM    809 HG22 THR    56      27.284  31.190  28.094
ATOM    810 HG23 THR    56      27.625  29.472  28.297
ATOM    811 OG1  THR    56      29.445  31.966  27.092
ATOM    812 HG1  THR    56      29.365  32.040  26.138
ATOM    813 C    THR    56      31.443  30.818  28.652
ATOM    814 O    THR    56      31.877  31.193  27.562
ATOM    815 N    LEU    57      32.173  30.823  29.762
ATOM    816 H    LEU    57      31.773  30.513  30.600
ATOM    817 CA   LEU    57      33.559  31.279  29.763
ATOM    818 HA   LEU    57      33.902  31.301  28.739
ATOM    819 CB   LEU    57      33.652  32.689  30.349
ATOM    820 HB2  LEU    57      33.946  32.599  31.383
ATOM    821 HB3  LEU    57      34.417  33.224  29.804
ATOM    822 CG   LEU    57      32.371  33.523  30.298
ATOM    823 HG   LEU    57      31.560  32.952  30.729
ATOM    824 CD1  LEU    57      32.530  34.798  31.112
ATOM    825 HD11 LEU    57      32.088  35.624  30.577
ATOM    826 HD12 LEU    57      33.580  34.993  31.272
ATOM    827 HD13 LEU    57      32.037  34.680  32.065
ATOM    828 CD2  LEU    57      32.004  33.850  28.858
ATOM    829 HD21 LEU    57      31.000  33.510  28.656
ATOM    830 HD22 LEU    57      32.693  33.354  28.189
ATOM    831 HD23 LEU    57      32.061  34.918  28.705
ATOM    832 C    LEU    57      34.445  30.327  30.559
ATOM    833 O    LEU    57      33.980  29.581  31.421
ATOM    834 N    PRO    58      35.754  30.351  30.266
ATOM    835 CD   PRO    58      36.378  31.215  29.249
ATOM    836 HD2  PRO    58      36.080  32.244  29.382
ATOM    837 HD3  PRO    58      36.135  30.875  28.253
ATOM    838 CG   PRO    58      37.850  31.056  29.513
ATOM    839 HG2  PRO    58      38.193  31.818  30.197
ATOM    840 HG3  PRO    58      38.404  31.104  28.587
ATOM    841 CB   PRO    58      38.013  29.710  30.131
ATOM    842 HB2  PRO    58      38.870  29.678  30.789
ATOM    843 HB3  PRO    58      38.099  28.939  29.381
ATOM    844 CA   PRO    58      36.734  29.498  30.944
ATOM    845 HA   PRO    58      36.448  28.457  30.904
ATOM    846 C    PRO    58      36.951  29.907  32.397
ATOM    847 O    PRO    58      36.663  31.040  32.782
ATOM    848 N    SER    59      37.462  28.979  33.199
ATOM    849 H    SER    59      37.672  28.094  32.832
ATOM    850 CA   SER    59      37.716  29.243  34.610
ATOM    851 HA   SER    59      36.789  29.571  35.058
ATOM    852 CB   SER    59      38.184  27.967  35.314
ATOM    853 HB2  SER    59      37.660  27.863  36.251
ATOM    854 HB3  SER    59      37.970  27.114  34.685
ATOM    855 OG   SER    59      39.577  28.008  35.571
ATOM    856 HG   SER    59      40.055  27.730  34.787
ATOM    857 C    SER    59      38.760  30.342  34.779
ATOM    858 O    SER    59      38.752  31.073  35.768
ATOM    859 N    GLN    60      39.657  30.451  33.804
ATOM    860 H    GLN    60      39.611  29.839  33.041
ATOM    861 CA   GLN    60      40.709  31.460  33.844
ATOM    862 HA   GLN    60      41.301  31.287  34.730
ATOM    863 CB   GLN    60      41.608  31.339  32.613
ATOM    864 HB2  GLN    60      41.002  31.058  31.765
ATOM    865 HB3  GLN    60      42.062  32.299  32.417
ATOM    866 CG   GLN    60      42.717  30.311  32.768
ATOM    867 HG2  GLN    60      43.552  30.774  33.275
ATOM    868 HG3  GLN    60      42.348  29.490  33.364
ATOM    869 CD   GLN    60      43.201  29.768  31.438
ATOM    870 OE1  GLN    60      44.299  30.090  30.985
ATOM    871 NE2  GLN    60      42.380  28.938  30.804
ATOM    872 HE21 GLN    60      41.520  28.727  31.225
ATOM    873 HE22 GLN    60      42.667  28.573  29.942
ATOM    874 C    GLN    60      40.115  32.863  33.918
ATOM    875 O    GLN    60      40.685  33.756  34.544
ATOM    876 N    GLU    61      38.966  33.049  33.275
ATOM    877 H    GLU    61      38.560  32.297  32.795
ATOM    878 CA   GLU    61      38.296  34.344  33.268
ATOM    879 HA   GLU    61      39.055  35.110  33.296
ATOM    880 CB   GLU    61      37.470  34.508  31.991
ATOM    881 HB2  GLU    61      38.096  34.284  31.140
ATOM    882 HB3  GLU    61      36.648  33.808  32.016
ATOM    883 CG   GLU    61      36.900  35.905  31.811
ATOM    884 HG2  GLU    61      36.419  36.206  32.729
ATOM    885 HG3  GLU    61      37.710  36.585  31.590
ATOM    886 CD   GLU    61      35.885  35.981  30.687
ATOM    887 OE1  GLU    61      34.969  36.826  30.771
ATOM    888 OE2  GLU    61      36.005  35.195  29.724
ATOM    889 C    GLU    61      37.397  34.498  34.492
ATOM    890 O    GLU    61      37.300  35.580  35.072
ATOM    891 N    VAL    62      36.742  33.408  34.879
ATOM    892 H    VAL    62      36.860  32.576  34.376
ATOM    893 CA   VAL    62      35.851  33.421  36.033
ATOM    894 HA   VAL    62      35.080  34.155  35.852
ATOM    895 CB   VAL    62      35.177  32.052  36.237
ATOM    896 HB   VAL    62      35.927  31.349  36.569
ATOM    897 CG1  VAL    62      34.101  32.140  37.309
ATOM    898 HG11 VAL    62      34.136  33.115  37.773
ATOM    899 HG12 VAL    62      33.131  31.988  36.859
ATOM    900 HG13 VAL    62      34.275  31.380  38.056
ATOM    901 CG2  VAL    62      34.595  31.544  34.926
ATOM    902 HG21 VAL    62      33.594  31.175  35.097
ATOM    903 HG22 VAL    62      34.563  32.352  34.209
ATOM    904 HG23 VAL    62      35.213  30.747  34.542
ATOM    905 C    VAL    62      36.604  33.799  37.304
ATOM    906 O    VAL    62      36.115  34.583  38.116
ATOM    907 N    GLN    63      37.797  33.236  37.468
ATOM    908 H    GLN    63      38.132  32.619  36.785
ATOM    909 CA   GLN    63      38.618  33.514  38.640
ATOM    910 HA   GLN    63      38.119  33.094  39.501
ATOM    911 CB   GLN    63      39.992  32.860  38.494
ATOM    912 HB2  GLN    63      39.875  31.788  38.546
ATOM    913 HB3  GLN    63      40.402  33.122  37.529
ATOM    914 CG   GLN    63      40.986  33.284  39.564
ATOM    915 HG2  GLN    63      41.250  34.318  39.402
ATOM    916 HG3  GLN    63      40.518  33.180  40.532
ATOM    917 CD   GLN    63      42.253  32.453  39.546
ATOM    918 OE1  GLN    63      43.252  32.836  38.937
ATOM    919 NE2  GLN    63      42.219  31.306  40.215
ATOM    920 HE21 GLN    63      41.388  31.065  40.676
ATOM    921 HE22 GLN    63      43.024  30.749  40.220
ATOM    922 C    GLN    63      38.777  35.017  38.850
ATOM    923 O    GLN    63      38.719  35.505  39.978
ATOM    924 N    ALA    64      38.977  35.744  37.755
ATOM    925 H    ALA    64      39.013  35.296  36.884
ATOM    926 CA   ALA    64      39.142  37.190  37.819
ATOM    927 HA   ALA    64      39.718  37.422  38.704
ATOM    928 CB   ALA    64      39.918  37.687  36.608
ATOM    929 HB1  ALA    64      40.893  37.222  36.590
ATOM    930 HB2  ALA    64      39.380  37.431  35.707
ATOM    931 HB3  ALA    64      40.031  38.759  36.668
ATOM    932 C    ALA    64      37.792  37.894  37.910
ATOM    933 O    ALA    64      37.659  38.920  38.579
ATOM    934 N    LEU    65      36.794  37.337  37.234
ATOM    935 H    LEU    65      36.961  36.521  36.719
ATOM    936 CA   LEU    65      35.453  37.912  37.238
ATOM    937 HA   LEU    65      35.526  38.925  36.871
ATOM    938 CB   LEU    65      34.531  37.113  36.315
ATOM    939 HB2  LEU    65      34.884  36.093  36.297
ATOM    940 HB3  LEU    65      33.537  37.140  36.738
ATOM    941 CG   LEU    65      34.441  37.602  34.869
ATOM    942 HG   LEU    65      35.427  37.580  34.426
ATOM    943 CD1  LEU    65      33.540  36.689  34.052
ATOM    944 HD11 LEU    65      32.788  36.257  34.694
ATOM    945 HD12 LEU    65      34.132  35.901  33.610
ATOM    946 HD13 LEU    65      33.062  37.261  33.270
ATOM    947 CD2  LEU    65      33.934  39.036  34.822
ATOM    948 HD21 LEU    65      33.676  39.293  33.805
ATOM    949 HD22 LEU    65      34.707  39.703  35.177
ATOM    950 HD23 LEU    65      33.060  39.130  35.450
ATOM    951 C    LEU    65      34.877  37.941  38.650
ATOM    952 O    LEU    65      34.165  38.874  39.023
ATOM    953 N    LEU    66      35.191  36.914  39.432
ATOM    954 H    LEU    66      35.762  36.201  39.079
ATOM    955 CA   LEU    66      34.707  36.822  40.805
ATOM    956 HA   LEU    66      33.692  37.189  40.824
ATOM    957 CB   LEU    66      34.720  35.366  41.275
ATOM    958 HB2  LEU    66      35.716  34.979  41.124
ATOM    959 HB3  LEU    66      34.488  35.358  42.331
ATOM    960 CG   LEU    66      33.740  34.426  40.572
ATOM    961 HG   LEU    66      33.495  34.832  39.600
ATOM    962 CD1  LEU    66      34.372  33.058  40.361
ATOM    963 HD11 LEU    66      35.072  33.108  39.541
ATOM    964 HD12 LEU    66      33.601  32.337  40.133
ATOM    965 HD13 LEU    66      34.889  32.758  41.261
ATOM    966 CD2  LEU    66      32.452  34.303  41.371
ATOM    967 HD21 LEU    66      31.684  34.907  40.911
ATOM    968 HD22 LEU    66      32.621  34.645  42.382
ATOM    969 HD23 LEU    66      32.136  33.270  41.388
ATOM    970 C    LEU    66      35.556  37.677  41.741
ATOM    971 O    LEU    66      35.040  38.291  42.674
ATOM    972 N    GLU    67      36.859  37.714  41.481
ATOM    973 H    GLU    67      37.210  37.203  40.722
ATOM    974 CA   GLU    67      37.778  38.496  42.299
ATOM    975 HA   GLU    67      37.775  38.077  43.294
ATOM    976 CB   GLU    67      39.197  38.415  41.731
ATOM    977 HB2  GLU    67      39.138  38.348  40.655
ATOM    978 HB3  GLU    67      39.730  39.316  41.997
ATOM    979 CG   GLU    67      39.990  37.224  42.242
ATOM    980 HG2  GLU    67      40.323  37.434  43.248
ATOM    981 HG3  GLU    67      39.347  36.356  42.250
ATOM    982 CD   GLU    67      41.204  36.920  41.385
ATOM    983 OE1  GLU    67      41.732  35.793  41.484
ATOM    984 OE2  GLU    67      41.625  37.809  40.616
ATOM    985 C    GLU    67      37.332  39.953  42.378
ATOM    986 O    GLU    67      37.642  40.658  43.338
ATOM    987 N    GLY    68      36.603  40.399  41.359
ATOM    988 H    GLY    68      36.387  39.791  40.620
ATOM    989 CA   GLY    68      36.127  41.769  41.331
ATOM    990 HA2  GLY    68      36.977  42.435  41.349
ATOM    991 HA3  GLY    68      35.577  41.928  40.415
ATOM    992 C    GLY    68      35.224  42.093  42.505
ATOM    993 O    GLY    68      34.985  43.262  42.810
ATOM    994 N    THR    69      34.720  41.056  43.166
ATOM    995 H    THR    69      34.948  40.149  42.875
ATOM    996 CA   THR    69      33.837  41.236  44.311
ATOM    997 HA   THR    69      33.005  41.850  43.997
ATOM    998 CB   THR    69      33.281  39.888  44.809
ATOM    999 HB   THR    69      32.729  40.060  45.722
ATOM   1000 CG2  THR    69      32.343  39.276  43.781
ATOM   1001 HG21 THR    69      32.375  38.200  43.860
ATOM   1002 HG22 THR    69      32.651  39.574  42.790
ATOM   1003 HG23 THR    69      31.336  39.620  43.963
ATOM   1004 OG1  THR    69      34.359  38.984  45.078
ATOM   1005 HG1  THR    69      35.138  39.260  44.589
ATOM   1006 C    THR    69      34.559  41.931  45.459
ATOM   1007 O    THR    69      33.930  42.424  46.394
ATOM   1008 N    GLY    70      35.886  41.966  45.382
ATOM   1009 H    GLY    70      36.335  41.556  44.613
ATOM   1010 CA   GLY    70      36.673  42.604  46.422
ATOM   1011 HA2  GLY    70      37.491  43.138  45.963
ATOM   1012 HA3  GLY    70      36.047  43.309  46.949
ATOM   1013 C    GLY    70      37.234  41.608  47.418
ATOM   1014 O    GLY    70      37.482  41.949  48.574
ATOM   1015 N    ARG    71      37.433  40.373  46.969
ATOM   1016 H    ARG    71      37.216  40.162  46.036
ATOM   1017 CA   ARG    71      37.966  39.324  47.829
ATOM   1018 HA   ARG    71      38.565  39.795  48.594
ATOM   1019 CB   ARG    71      36.825  38.554  48.496
ATOM   1020 HB2  ARG    71      37.203  37.604  48.845
ATOM   1021 HB3  ARG    71      36.467  39.123  49.341
ATOM   1022 CG   ARG    71      35.649  38.286  47.571
ATOM   1023 HG2  ARG    71      35.330  39.218  47.130
ATOM   1024 HG3  ARG    71      35.963  37.606  46.792
ATOM   1025 CD   ARG    71      34.478  37.671  48.322
ATOM   1026 HD2  ARG    71      34.233  36.723  47.867
ATOM   1027 HD3  ARG    71      34.770  37.513  49.349
ATOM   1028 NE   ARG    71      33.297  38.530  48.290
ATOM   1029 HE   ARG    71      32.643  38.377  47.577
ATOM   1030 CZ   ARG    71      33.067  39.496  49.172
ATOM   1031 NH1  ARG    71      33.934  39.727  50.149
ATOM   1032 HH11 ARG    71      34.763  39.172  50.222
ATOM   1033 HH12 ARG    71      33.759  40.456  50.811
ATOM   1034 NH2  ARG    71      31.969  40.236  49.077
ATOM   1035 HH21 ARG    71      31.314  40.065  48.342
ATOM   1036 HH22 ARG    71      31.798  40.963  49.741
ATOM   1037 C    ARG    71      38.846  38.364  47.035
ATOM   1038 O    ARG    71      39.055  38.546  45.836
ATOM   1039 N    GLN    72      39.360  37.342  47.713
ATOM   1040 H    GLN    72      39.158  37.251  48.666
ATOM   1041 CA   GLN    72      40.219  36.355  47.070
ATOM   1042 HA   GLN    72      40.487  36.733  46.095
ATOM   1043 CB   GLN    72      41.494  36.147  47.889
ATOM   1044 HB2  GLN    72      41.674  37.030  48.484
ATOM   1045 HB3  GLN    72      41.351  35.302  48.547
ATOM   1046 CG   GLN    72      42.727  35.884  47.039
ATOM   1047 HG2  GLN    72      42.680  36.506  46.157
ATOM   1048 HG3  GLN    72      43.605  36.142  47.613
ATOM   1049 CD   GLN    72      42.839  34.436  46.605
ATOM   1050 OE1  GLN    72      42.466  33.524  47.343
ATOM   1051 NE2  GLN    72      43.355  34.217  45.401
ATOM   1052 HE21 GLN    72      43.632  34.993  44.869
ATOM   1053 HE22 GLN    72      43.440  33.291  45.096
ATOM   1054 C    GLN    72      39.488  35.027  46.898
ATOM   1055 O    GLN    72      38.928  34.488  47.852
ATOM   1056 N    ALA    73      39.498  34.506  45.676
ATOM   1057 H    ALA    73      39.962  34.983  44.957
ATOM   1058 CA   ALA    73      38.838  33.241  45.380
ATOM   1059 HA   ALA    73      38.408  32.866  46.298
ATOM   1060 CB   ALA    73      37.709  33.455  44.383
ATOM   1061 HB1  ALA    73      38.073  33.270  43.383
ATOM   1062 HB2  ALA    73      36.900  32.775  44.604
ATOM   1063 HB3  ALA    73      37.354  34.473  44.454
ATOM   1064 C    ALA    73      39.831  32.215  44.844
ATOM   1065 O    ALA    73      40.837  32.572  44.230
ATOM   1066 N    VAL    74      39.543  30.939  45.082
ATOM   1067 H    VAL    74      38.727  30.717  45.577
ATOM   1068 CA   VAL    74      40.411  29.861  44.623
ATOM   1069 HA   VAL    74      41.137  30.284  43.943
ATOM   1070 CB   VAL    74      41.169  29.212  45.797
ATOM   1071 HB   VAL    74      40.444  28.869  46.521
ATOM   1072 CG1  VAL    74      41.968  28.010  45.317
ATOM   1073 HG11 VAL    74      41.418  27.105  45.529
ATOM   1074 HG12 VAL    74      42.136  28.090  44.253
ATOM   1075 HG13 VAL    74      42.918  27.981  45.831
ATOM   1076 CG2  VAL    74      42.075  30.230  46.473
ATOM   1077 HG21 VAL    74      42.836  29.713  47.038
ATOM   1078 HG22 VAL    74      42.543  30.851  45.723
ATOM   1079 HG23 VAL    74      41.490  30.848  47.137
ATOM   1080 C    VAL    74      39.614  28.788  43.891
ATOM   1081 O    VAL    74      38.685  28.201  44.447
ATOM   1082 N    LEU    75      39.984  28.534  42.640
ATOM   1083 H    LEU    75      40.731  29.033  42.252
ATOM   1084 CA   LEU    75      39.304  27.529  41.831
ATOM   1085 HA   LEU    75      38.251  27.768  41.821
ATOM   1086 CB   LEU    75      39.834  27.557  40.396
ATOM   1087 HB2  LEU    75      39.639  28.538  39.991
ATOM   1088 HB3  LEU    75      40.901  27.391  40.436
ATOM   1089 CG   LEU    75      39.234  26.527  39.439
ATOM   1090 HG   LEU    75      38.984  25.632  39.993
ATOM   1091 CD1  LEU    75      37.957  27.062  38.811
ATOM   1092 HD11 LEU    75      37.493  26.285  38.221
ATOM   1093 HD12 LEU    75      38.192  27.904  38.177
ATOM   1094 HD13 LEU    75      37.278  27.377  39.590
ATOM   1095 CD2  LEU    75      40.242  26.149  38.362
ATOM   1096 HD21 LEU    75      40.381  25.078  38.360
ATOM   1097 HD22 LEU    75      41.186  26.634  38.567
ATOM   1098 HD23 LEU    75      39.875  26.467  37.398
ATOM   1099 C    LEU    75      39.486  26.136  42.425
ATOM   1100 O    LEU    75      40.608  25.652  42.568
ATOM   1101 N    LYS    76      38.373  25.495  42.768
ATOM   1102 H    LYS    76      37.507  25.933  42.629
ATOM   1103 CA   LYS    76      38.408  24.156  43.344
ATOM   1104 HA   LYS    76      39.377  24.015  43.798
ATOM   1105 CB   LYS    76      37.328  24.012  44.418
ATOM   1106 HB2  LYS    76      36.451  24.560  44.106
ATOM   1107 HB3  LYS    76      37.072  22.967  44.517
ATOM   1108 CG   LYS    76      37.754  24.529  45.782
ATOM   1109 HG2  LYS    76      38.076  25.555  45.683
ATOM   1110 HG3  LYS    76      36.910  24.478  46.455
ATOM   1111 CD   LYS    76      38.895  23.708  46.358
ATOM   1112 HD2  LYS    76      39.197  22.968  45.632
ATOM   1113 HD3  LYS    76      39.727  24.365  46.572
ATOM   1114 CE   LYS    76      38.481  22.999  47.638
ATOM   1115 HE2  LYS    76      37.552  22.480  47.463
ATOM   1116 HE3  LYS    76      39.248  22.286  47.903
ATOM   1117 NZ   LYS    76      38.298  23.954  48.766
ATOM   1118 HZ1  LYS    76      37.520  24.612  48.554
ATOM   1119 HZ2  LYS    76      39.169  24.503  48.915
ATOM   1120 HZ3  LYS    76      38.072  23.437  49.640
ATOM   1121 C    LYS    76      38.212  23.095  42.266
ATOM   1122 O    LYS    76      38.764  21.999  42.352
ATOM   1123 N    GLY    77      37.423  23.429  41.249
ATOM   1124 H    GLY    77      37.010  24.318  41.233
ATOM   1125 CA   GLY    77      37.170  22.494  40.168
ATOM   1126 HA2  GLY    77      38.035  22.465  39.522
ATOM   1127 HA3  GLY    77      37.012  21.511  40.587
ATOM   1128 C    GLY    77      35.955  22.875  39.345
ATOM   1129 O    GLY    77      35.715  24.055  39.090
ATOM   1130 N    MET    78      35.188  21.874  38.927
ATOM   1131 H    MET    78      35.430  20.954  39.163
ATOM   1132 CA   MET    78      33.992  22.110  38.128
ATOM   1133 HA   MET    78      34.002  23.143  37.814
ATOM   1134 CB   MET    78      33.995  21.214  36.888
ATOM   1135 HB2  MET    78      34.306  20.221  37.177
ATOM   1136 HB3  MET    78      32.993  21.167  36.489
ATOM   1137 CG   MET    78      34.923  21.702  35.788
ATOM   1138 HG2  MET    78      34.328  21.991  34.934
ATOM   1139 HG3  MET    78      35.468  22.561  36.151
ATOM   1140 SD   MET    78      36.105  20.444  35.267
ATOM   1141 CE   MET    78      37.648  21.338  35.438
ATOM   1142 HE1  MET    78      37.828  21.921  34.548
ATOM   1143 HE2  MET    78      37.590  21.995  36.294
ATOM   1144 HE3  MET    78      38.457  20.635  35.578
ATOM   1145 C    MET    78      32.730  21.858  38.948
ATOM   1146 O    MET    78      32.804  21.529  40.131
ATOM   1147 N    GLY    79      31.574  22.016  38.311
ATOM   1148 H    GLY    79      31.577  22.280  37.367
ATOM   1149 CA   GLY    79      30.314  21.802  38.998
ATOM   1150 HA2  GLY    79      30.393  22.190  40.003
ATOM   1151 HA3  GLY    79      29.536  22.340  38.476
ATOM   1152 C    GLY    79      29.932  20.336  39.067
ATOM   1153 O    GLY    79      30.794  19.470  39.213
ATOM   1154 N    SER    80      28.637  20.058  38.962
ATOM   1155 H    SER    80      27.998  20.793  38.847
ATOM   1156 CA   SER    80      28.143  18.687  39.018
ATOM   1157 HA   SER    80      28.685  18.171  39.797
ATOM   1158 CB   SER    80      26.651  18.674  39.358
ATOM   1159 HB2  SER    80      26.203  19.602  39.038
ATOM   1160 HB3  SER    80      26.175  17.849  38.848
ATOM   1161 OG   SER    80      26.447  18.527  40.753
ATOM   1162 HG   SER    80      26.416  19.393  41.166
ATOM   1163 C    SER    80      28.380  17.969  37.694
ATOM   1164 O    SER    80      28.266  16.747  37.608
ATOM   1165 N    GLY    81      28.712  18.739  36.661
ATOM   1166 H    GLY    81      28.788  19.708  36.789
ATOM   1167 CA   GLY    81      28.960  18.160  35.354
ATOM   1168 HA2  GLY    81      29.899  18.537  34.978
ATOM   1169 HA3  GLY    81      29.029  17.087  35.455
ATOM   1170 C    GLY    81      27.866  18.487  34.358
ATOM   1171 O    GLY    81      28.023  19.379  33.525
ATOM   1172 N    GLN    82      26.755  17.762  34.442
ATOM   1173 H    GLN    82      26.689  17.066  35.127
ATOM   1174 CA   GLN    82      25.631  17.979  33.538
ATOM   1175 HA   GLN    82      25.738  18.963  33.107
ATOM   1176 CB   GLN    82      25.644  16.941  32.416
ATOM   1177 HB2  GLN    82      24.820  17.140  31.747
ATOM   1178 HB3  GLN    82      26.571  17.031  31.869
ATOM   1179 CG   GLN    82      25.521  15.508  32.910
ATOM   1180 HG2  GLN    82      26.190  15.371  33.747
ATOM   1181 HG3  GLN    82      24.504  15.339  33.233
ATOM   1182 CD   GLN    82      25.867  14.490  31.842
ATOM   1183 OE1  GLN    82      26.850  14.644  31.117
ATOM   1184 NE2  GLN    82      25.059  13.441  31.740
ATOM   1185 HE21 GLN    82      24.294  13.385  32.351
ATOM   1186 HE22 GLN    82      25.259  12.768  31.058
ATOM   1187 C    GLN    82      24.306  17.915  34.291
ATOM   1188 O    GLN    82      24.282  17.785  35.516
ATOM   1189 N    LEU    83      23.206  18.006  33.552
ATOM   1190 H    LEU    83      23.289  18.108  32.582
ATOM   1191 CA   LEU    83      21.877  17.958  34.150
ATOM   1192 HA   LEU    83      21.808  17.052  34.733
ATOM   1193 CB   LEU    83      21.667  19.160  35.073
ATOM   1194 HB2  LEU    83      22.484  19.847  34.911
ATOM   1195 HB3  LEU    83      20.739  19.636  34.789
ATOM   1196 CG   LEU    83      21.601  18.855  36.569
ATOM   1197 HG   LEU    83      22.247  18.016  36.788
ATOM   1198 CD1  LEU    83      22.089  20.046  37.379
ATOM   1199 HD11 LEU    83      23.027  20.395  36.976
ATOM   1200 HD12 LEU    83      22.227  19.749  38.408
ATOM   1201 HD13 LEU    83      21.357  20.839  37.330
ATOM   1202 CD2  LEU    83      20.183  18.477  36.974
ATOM   1203 HD21 LEU    83      20.190  18.079  37.978
ATOM   1204 HD22 LEU    83      19.802  17.730  36.293
ATOM   1205 HD23 LEU    83      19.553  19.353  36.939
ATOM   1206 C    LEU    83      20.796  17.934  33.074
ATOM   1207 O    LEU    83      20.915  18.601  32.047
ATOM   1208 N    GLN    84      19.742  17.162  33.318
ATOM   1209 H    GLN    84      19.705  16.654  34.155
ATOM   1210 CA   GLN    84      18.640  17.053  32.370
ATOM   1211 HA   GLN    84      18.512  18.015  31.899
ATOM   1212 CB   GLN    84      18.964  16.012  31.297
ATOM   1213 HB2  GLN    84      18.195  16.042  30.539
ATOM   1214 HB3  GLN    84      19.913  16.262  30.845
ATOM   1215 CG   GLN    84      19.051  14.592  31.832
ATOM   1216 HG2  GLN    84      18.204  14.412  32.477
ATOM   1217 HG3  GLN    84      19.021  13.905  31.000
ATOM   1218 CD   GLN    84      20.321  14.343  32.622
ATOM   1219 OE1  GLN    84      20.279  14.107  33.829
ATOM   1220 NE2  GLN    84      21.460  14.393  31.941
ATOM   1221 HE21 GLN    84      21.418  14.588  30.981
ATOM   1222 HE22 GLN    84      22.296  14.237  32.427
ATOM   1223 C    GLN    84      17.344  16.679  33.083
ATOM   1224 O    GLN    84      17.273  16.695  34.311
ATOM   1225 N    ASN    85      16.321  16.343  32.303
ATOM   1226 H    ASN    85      16.440  16.349  31.330
ATOM   1227 CA   ASN    85      15.027  15.966  32.860
ATOM   1228 HA   ASN    85      15.188  15.625  33.871
ATOM   1229 CB   ASN    85      14.088  17.174  32.885
ATOM   1230 HB2  ASN    85      13.091  16.841  33.132
ATOM   1231 HB3  ASN    85      14.428  17.871  33.636
ATOM   1232 CG   ASN    85      14.035  17.893  31.550
ATOM   1233 OD1  ASN    85      13.425  17.409  30.596
ATOM   1234 ND2  ASN    85      14.676  19.054  31.478
ATOM   1235 HD21 ASN    85      15.140  19.377  32.278
ATOM   1236 HD22 ASN    85      14.657  19.540  30.627
ATOM   1237 C    ASN    85      14.397  14.834  32.053
ATOM   1238 O    ASN    85      13.211  14.559  32.227
ATOM   1239 OXT  ASN    85      15.064  14.205  31.234
ATOM   1240 CU   CU     86      31.308  39.349  54.028
END  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   9           H        GLY   9 -10.463   5.588  14.712
    2    HA2  GLY   9           HA2      GLY   9  -8.891   3.339  14.335
    3    HA3  GLY   9           HA3      GLY   9  -9.359   3.872  12.705
    4    H    THR  10           H        THR  10  -6.761   4.075  14.436
    5    HA   THR  10           HA       THR  10  -6.303   6.998  14.094
    6    HB   THR  10           HB       THR  10  -6.298   6.263  16.424
    7    HG1  THR  10           HG1      THR  10  -4.752   7.615  16.869
    8   HG21  THR  10          HG21      THR  10  -3.615   4.961  15.739
    9   HG22  THR  10          HG22      THR  10  -5.097   4.066  16.099
   10   HG23  THR  10          HG23      THR  10  -4.363   5.098  17.339
   11    H    LEU  11           H        LEU  11  -4.291   7.671  13.533
   12    HA   LEU  11           HA       LEU  11  -3.381   6.392  11.160
   13    HB2  LEU  11           HB2      LEU  11  -3.370   8.954  12.074
   14    HB3  LEU  11           HB3      LEU  11  -1.724   8.486  12.489
   15    HG   LEU  11           HG       LEU  11  -1.838   9.741  10.439
   16   HD11  LEU  11          HD11      LEU  11  -0.069   7.989  10.703
   17   HD12  LEU  11          HD12      LEU  11  -0.458   8.474   9.052
   18   HD13  LEU  11          HD13      LEU  11  -1.060   6.918   9.670
   19   HD21  LEU  11          HD21      LEU  11  -3.998   9.178   9.557
   20   HD22  LEU  11          HD22      LEU  11  -3.555   7.473   9.372
   21   HD23  LEU  11          HD23      LEU  11  -2.785   8.681   8.359
   22    H    CYS  12           H        CYS  12  -1.797   5.132  10.726
   23    HA   CYS  12           HA       CYS  12   0.565   4.601  12.368
   24    HB2  CYS  12           HB2      CYS  12  -1.691   2.586  12.029
   25    HB3  CYS  12           HB3      CYS  12  -0.012   2.039  12.166
   26    HG   CYS  12           HG       CYS  12  -1.352   4.226  14.236
   27    H    THR  13           H        THR  13   2.141   3.320  11.176
   28    HA   THR  13           HA       THR  13   1.809   3.454   8.201
   29    HB   THR  13           HB       THR  13   4.258   2.830   9.887
   30    HG1  THR  13           HG1      THR  13   4.868   4.913   9.014
   31   HG21  THR  13          HG21      THR  13   4.368   1.817   7.611
   32   HG22  THR  13          HG22      THR  13   5.486   3.174   7.797
   33   HG23  THR  13          HG23      THR  13   3.964   3.403   6.903
   34    H    LEU  14           H        LEU  14   0.965   1.729   7.252
   35    HA   LEU  14           HA       LEU  14   1.432  -1.048   8.272
   36    HB2  LEU  14           HB2      LEU  14  -0.454   0.269   6.327
   37    HB3  LEU  14           HB3      LEU  14  -0.051  -1.433   6.151
   38    HG   LEU  14           HG       LEU  14  -1.036  -2.079   8.159
   39   HD11  LEU  14          HD11      LEU  14  -1.951  -0.677   9.869
   40   HD12  LEU  14          HD12      LEU  14  -1.435   0.806   9.011
   41   HD13  LEU  14          HD13      LEU  14  -0.238  -0.321   9.685
   42   HD21  LEU  14          HD21      LEU  14  -3.347  -1.180   8.024
   43   HD22  LEU  14          HD22      LEU  14  -2.690  -1.496   6.413
   44   HD23  LEU  14          HD23      LEU  14  -2.767   0.167   7.032
   45    H    GLU  15           H        GLU  15   3.038  -2.257   7.484
   46    HA   GLU  15           HA       GLU  15   4.516  -1.369   5.038
   47    HB2  GLU  15           HB2      GLU  15   5.407  -2.976   7.472
   48    HB3  GLU  15           HB3      GLU  15   6.394  -2.676   6.036
   49    HG2  GLU  15           HG2      GLU  15   6.173  -0.241   6.398
   50    HG3  GLU  15           HG3      GLU  15   5.285  -0.534   7.897
   51    H    PHE  16           H        PHE  16   3.406  -2.401   3.406
   52    HA   PHE  16           HA       PHE  16   2.838  -5.333   3.665
   53    HB2  PHE  16           HB2      PHE  16   1.867  -3.245   1.678
   54    HB3  PHE  16           HB3      PHE  16   1.581  -4.967   1.510
   55    HD1  PHE  16           HD2      PHE  16   0.642  -2.016   3.490
   56    HD2  PHE  16           HD1      PHE  16  -0.008  -6.204   2.719
   57    HE1  PHE  16           HE2      PHE  16  -1.592  -1.862   4.549
   58    HE2  PHE  16           HE1      PHE  16  -2.267  -6.053   3.789
   59    HZ   PHE  16           HZ       PHE  16  -3.062  -3.884   4.668
   60    H    ALA  17           H        ALA  17   3.484  -6.836   2.291
   61    HA   ALA  17           HA       ALA  17   5.620  -6.250   0.271
   62    HB1  ALA  17           HB1      ALA  17   4.656  -8.873   1.492
   63    HB2  ALA  17           HB2      ALA  17   5.958  -8.703   0.298
   64    HB3  ALA  17           HB3      ALA  17   6.148  -7.992   1.912
   65    H    VAL  18           H        VAL  18   5.197  -6.445  -1.937
   66    HA   VAL  18           HA       VAL  18   2.576  -7.577  -2.844
   67    HB   VAL  18           HB       VAL  18   2.285  -5.587  -4.313
   68   HG11  VAL  18          HG11      VAL  18   0.955  -5.765  -2.276
   69   HG12  VAL  18          HG12      VAL  18   2.229  -4.958  -1.334
   70   HG13  VAL  18          HG13      VAL  18   1.365  -4.091  -2.621
   71   HG21  VAL  18          HG21      VAL  18   4.606  -4.780  -4.239
   72   HG22  VAL  18          HG22      VAL  18   3.404  -3.548  -3.788
   73   HG23  VAL  18          HG23      VAL  18   4.380  -4.339  -2.532
   74    H    GLN  19           H        GLN  19   2.305  -7.823  -5.081
   75    HA   GLN  19           HA       GLN  19   4.711  -8.860  -6.448
   76    HB2  GLN  19           HB2      GLN  19   2.766 -10.255  -6.120
   77    HB3  GLN  19           HB3      GLN  19   1.713  -9.042  -6.812
   78    HG2  GLN  19           HG2      GLN  19   2.966  -9.423  -9.045
   79    HG3  GLN  19           HG3      GLN  19   3.666 -10.847  -8.261
   80   HE21  GLN  19          HE21      GLN  19   2.166 -12.607  -7.631
   81   HE22  GLN  19          HE22      GLN  19   0.488 -12.594  -8.225
   82    H    MET  20           H        MET  20   5.772  -6.867  -7.098
   83    HA   MET  20           HA       MET  20   4.954  -6.282  -9.850
   84    HB2  MET  20           HB2      MET  20   5.511  -3.790  -9.468
   85    HB3  MET  20           HB3      MET  20   3.915  -4.375  -9.016
   86    HG2  MET  20           HG2      MET  20   4.406  -4.358  -6.690
   87    HG3  MET  20           HG3      MET  20   6.144  -4.208  -6.974
   88    HE1  MET  20           HE1      MET  20   3.835  -1.962  -5.219
   89    HE2  MET  20           HE2      MET  20   5.440  -2.739  -4.996
   90    HE3  MET  20           HE3      MET  20   5.298  -0.960  -5.154
   91    H    THR  21           H        THR  21   6.641  -5.323 -11.146
   92    HA   THR  21           HA       THR  21   9.439  -5.781 -10.198
   93    HB   THR  21           HB       THR  21   9.865  -6.925 -12.387
   94    HG1  THR  21           HG1      THR  21   8.321  -7.568 -13.606
   95   HG21  THR  21          HG21      THR  21   7.829  -8.350 -10.645
   96   HG22  THR  21          HG22      THR  21   9.572  -8.177 -10.323
   97   HG23  THR  21          HG23      THR  21   9.020  -9.087 -11.744
   98    H    CYS  22           H        CYS  22   7.370  -3.838 -12.286
   99    HA   CYS  22           HA       CYS  22   9.795  -2.344 -13.104
  100    HB2  CYS  22           HB2      CYS  22   9.477  -2.708 -15.268
  101    HB3  CYS  22           HB3      CYS  22   8.421  -4.004 -14.769
  102    H    GLN  23           H        GLN  23   9.497  -0.182 -13.741
  103    HA   GLN  23           HA       GLN  23   8.478   1.236 -11.576
  104    HB2  GLN  23           HB2      GLN  23   9.500   2.126 -14.282
  105    HB3  GLN  23           HB3      GLN  23   9.003   3.293 -13.064
  106    HG2  GLN  23           HG2      GLN  23  11.146   1.165 -12.636
  107    HG3  GLN  23           HG3      GLN  23  11.450   2.856 -13.019
  108   HE21  GLN  23          HE21      GLN  23  12.668   1.993 -10.753
  109   HE22  GLN  23          HE22      GLN  23  11.782   2.504  -9.318
  110    H    SER  24           H        SER  24   6.695   0.632 -14.563
  111    HA   SER  24           HA       SER  24   4.774   2.754 -14.200
  112    HB2  SER  24           HB2      SER  24   4.508   0.112 -15.692
  113    HB3  SER  24           HB3      SER  24   3.406   1.497 -15.830
  114    HG   SER  24           HG       SER  24   5.195   2.762 -16.511
  115    H    CYS  25           H        CYS  25   4.976  -0.477 -12.760
  116    HA   CYS  25           HA       CYS  25   2.141  -0.562 -12.038
  117    HB2  CYS  25           HB2      CYS  25   4.489  -2.347 -11.330
  118    HB3  CYS  25           HB3      CYS  25   2.780  -2.711 -11.105
  119    H    VAL  26           H        VAL  26   5.230  -0.010 -10.363
  120    HA   VAL  26           HA       VAL  26   4.539   0.596  -7.695
  121    HB   VAL  26           HB       VAL  26   6.368   2.488  -9.178
  122   HG11  VAL  26          HG11      VAL  26   6.277   2.385  -6.675
  123   HG12  VAL  26          HG12      VAL  26   6.877   0.698  -6.786
  124   HG13  VAL  26          HG13      VAL  26   7.888   2.035  -7.355
  125   HG21  VAL  26          HG21      VAL  26   8.174   0.924  -9.330
  126   HG22  VAL  26          HG22      VAL  26   7.059  -0.429  -8.935
  127   HG23  VAL  26          HG23      VAL  26   6.846   0.535 -10.412
  128    H    ASP  27           H        ASP  27   4.571   2.831 -10.483
  129    HA   ASP  27           HA       ASP  27   3.321   5.028  -9.107
  130    HB2  ASP  27           HB2      ASP  27   3.831   4.312 -12.007
  131    HB3  ASP  27           HB3      ASP  27   2.995   5.778 -11.523
  132    H    ALA  28           H        ALA  28   1.972   2.282 -10.837
  133    HA   ALA  28           HA       ALA  28  -0.721   3.401 -10.942
  134    HB1  ALA  28           HB1      ALA  28   0.014   1.637 -12.512
  135    HB2  ALA  28           HB2      ALA  28   0.138   0.490 -11.151
  136    HB3  ALA  28           HB3      ALA  28  -1.432   1.177 -11.586
  137    H    VAL  29           H        VAL  29   1.019   1.182  -8.576
  138    HA   VAL  29           HA       VAL  29  -1.257   1.012  -6.905
  139    HB   VAL  29           HB       VAL  29   1.596   0.880  -5.898
  140   HG11  VAL  29          HG11      VAL  29   0.575  -0.677  -4.297
  141   HG12  VAL  29          HG12      VAL  29  -0.430   0.781  -4.339
  142   HG13  VAL  29          HG13      VAL  29  -0.944  -0.667  -5.232
  143   HG21  VAL  29          HG21      VAL  29   1.821  -0.730  -7.582
  144   HG22  VAL  29          HG22      VAL  29   1.253  -1.695  -6.252
  145   HG23  VAL  29          HG23      VAL  29   0.103  -1.207  -7.518
  146    H    ARG  30           H        ARG  30   1.478   3.356  -6.994
  147    HA   ARG  30           HA       ARG  30   0.781   4.864  -4.648
  148    HB2  ARG  30           HB2      ARG  30   2.074   5.665  -7.340
  149    HB3  ARG  30           HB3      ARG  30   1.957   6.778  -6.011
  150    HG2  ARG  30           HG2      ARG  30   3.552   5.693  -4.716
  151    HG3  ARG  30           HG3      ARG  30   3.315   4.124  -5.501
  152    HD2  ARG  30           HD2      ARG  30   4.530   4.748  -7.442
  153    HD3  ARG  30           HD3      ARG  30   4.500   6.469  -7.014
  154    HE   ARG  30           HE       ARG  30   5.910   5.306  -4.945
  155   HH11  ARG  30          HH11      ARG  30   6.366   5.574  -8.443
  156   HH12  ARG  30          HH12      ARG  30   8.066   5.110  -8.250
  157   HH21  ARG  30          HH21      ARG  30   8.065   4.695  -4.908
  158   HH22  ARG  30          HH22      ARG  30   8.961   4.689  -6.414
  159    H    LYS  31           H        LYS  31  -0.415   5.154  -8.043
  160    HA   LYS  31           HA       LYS  31  -2.124   7.407  -7.202
  161    HB2  LYS  31           HB2      LYS  31  -1.625   6.213  -9.937
  162    HB3  LYS  31           HB3      LYS  31  -2.661   7.620  -9.573
  163    HG2  LYS  31           HG2      LYS  31  -0.679   8.558  -8.240
  164    HG3  LYS  31           HG3      LYS  31   0.333   7.331  -8.990
  165    HD2  LYS  31           HD2      LYS  31   0.083   8.357 -11.156
  166    HD3  LYS  31           HD3      LYS  31  -1.281   9.369 -10.588
  167    HE2  LYS  31           HE2      LYS  31   0.200  10.392  -8.878
  168    HE3  LYS  31           HE3      LYS  31   1.567   9.462  -9.483
  169    HZ1  LYS  31           HZ1      LYS  31   1.373  11.807 -10.361
  170    HZ2  LYS  31           HZ2      LYS  31   0.021  11.388 -11.183
  171    HZ3  LYS  31           HZ3      LYS  31   1.473  10.718 -11.561
  172    H    SER  32           H        SER  32  -2.722   3.986  -7.583
  173    HA   SER  32           HA       SER  32  -5.591   4.298  -7.186
  174    HB2  SER  32           HB2      SER  32  -4.551   2.148  -7.914
  175    HB3  SER  32           HB3      SER  32  -3.831   2.017  -6.294
  176    HG   SER  32           HG       SER  32  -6.624   2.395  -6.789
  177    H    LEU  33           H        LEU  33  -2.764   4.215  -5.000
  178    HA   LEU  33           HA       LEU  33  -4.230   4.381  -2.498
  179    HB2  LEU  33           HB2      LEU  33  -1.367   5.003  -3.367
  180    HB3  LEU  33           HB3      LEU  33  -1.911   5.163  -1.720
  181    HG   LEU  33           HG       LEU  33  -2.206   2.489  -3.124
  182   HD11  LEU  33          HD11      LEU  33   0.191   3.126  -3.407
  183   HD12  LEU  33          HD12      LEU  33  -0.008   1.828  -2.233
  184   HD13  LEU  33          HD13      LEU  33   0.310   3.479  -1.679
  185   HD21  LEU  33          HD21      LEU  33  -1.616   3.338  -0.275
  186   HD22  LEU  33          HD22      LEU  33  -1.928   1.680  -0.832
  187   HD23  LEU  33          HD23      LEU  33  -3.230   2.894  -0.892
  188    H    GLN  34           H        GLN  34  -2.761   6.878  -4.597
  189    HA   GLN  34           HA       GLN  34  -2.989   8.978  -2.752
  190    HB2  GLN  34           HB2      GLN  34  -2.474   8.706  -5.663
  191    HB3  GLN  34           HB3      GLN  34  -2.986  10.284  -5.183
  192    HG2  GLN  34           HG2      GLN  34  -1.203  10.407  -3.475
  193    HG3  GLN  34           HG3      GLN  34  -0.693   8.765  -3.862
  194   HE21  GLN  34          HE21      GLN  34   1.366  10.251  -4.030
  195   HE22  GLN  34          HE22      GLN  34   1.736  10.754  -5.675
  196    H    GLY  35           H        GLY  35  -4.392  10.364  -2.191
  197    HA2  GLY  35           HA2      GLY  35  -6.316  11.615  -2.021
  198    HA3  GLY  35           HA3      GLY  35  -6.864  11.003  -3.579
  199    H    VAL  36           H        VAL  36  -6.197   8.391  -1.311
  200    HA   VAL  36           HA       VAL  36  -9.021   7.767  -1.183
  201    HB   VAL  36           HB       VAL  36  -6.542   6.366  -0.149
  202   HG11  VAL  36          HG11      VAL  36  -8.386   5.735   1.348
  203   HG12  VAL  36          HG12      VAL  36  -9.445   5.425  -0.049
  204   HG13  VAL  36          HG13      VAL  36  -8.027   4.404   0.250
  205   HG21  VAL  36          HG21      VAL  36  -7.072   4.747  -1.928
  206   HG22  VAL  36          HG22      VAL  36  -8.513   5.677  -2.385
  207   HG23  VAL  36          HG23      VAL  36  -6.891   6.356  -2.627
  208    H    ALA  37           H        ALA  37 -10.303   7.935   0.424
  209    HA   ALA  37           HA       ALA  37  -9.869   9.776   2.580
  210    HB1  ALA  37           HB1      ALA  37 -12.140   9.095   3.294
  211    HB2  ALA  37           HB2      ALA  37 -12.068   9.443   1.557
  212    HB3  ALA  37           HB3      ALA  37 -12.108   7.758   2.124
  213    H    GLY  38           H        GLY  38  -8.724   9.458   4.355
  214    HA2  GLY  38           HA2      GLY  38  -8.321   8.406   6.471
  215    HA3  GLY  38           HA3      GLY  38  -8.708   6.829   5.781
  216    H    VAL  39           H        VAL  39  -6.757   8.324   3.462
  217    HA   VAL  39           HA       VAL  39  -4.231   7.229   4.625
  218    HB   VAL  39           HB       VAL  39  -4.988   7.949   1.778
  219   HG11  VAL  39          HG11      VAL  39  -2.586   8.366   2.101
  220   HG12  VAL  39          HG12      VAL  39  -2.387   6.789   2.902
  221   HG13  VAL  39          HG13      VAL  39  -2.808   6.886   1.177
  222   HG21  VAL  39          HG21      VAL  39  -6.024   5.838   2.546
  223   HG22  VAL  39          HG22      VAL  39  -4.744   5.515   1.376
  224   HG23  VAL  39          HG23      VAL  39  -4.442   5.250   3.105
  225    H    GLN  40           H        GLN  40  -2.834   8.593   5.475
  226    HA   GLN  40           HA       GLN  40  -2.928  11.518   5.042
  227    HB2  GLN  40           HB2      GLN  40  -1.277   9.601   6.700
  228    HB3  GLN  40           HB3      GLN  40  -0.592  11.165   6.315
  229    HG2  GLN  40           HG2      GLN  40  -3.347  10.890   7.567
  230    HG3  GLN  40           HG3      GLN  40  -1.858  10.972   8.513
  231   HE21  GLN  40          HE21      GLN  40  -3.776  12.787   8.964
  232   HE22  GLN  40          HE22      GLN  40  -3.156  14.372   8.500
  233    H    ASP  41           H        ASP  41  -0.691   8.806   4.365
  234    HA   ASP  41           HA       ASP  41   0.561  10.097   2.050
  235    HB2  ASP  41           HB2      ASP  41   1.873   9.832   4.788
  236    HB3  ASP  41           HB3      ASP  41   2.834   9.834   3.346
  237    H    VAL  42           H        VAL  42   2.386   8.763   1.316
  238    HA   VAL  42           HA       VAL  42   2.390   5.892   2.028
  239    HB   VAL  42           HB       VAL  42   2.219   5.234  -0.346
  240   HG11  VAL  42          HG11      VAL  42  -0.177   5.316  -0.497
  241   HG12  VAL  42          HG12      VAL  42   0.281   5.079   1.189
  242   HG13  VAL  42          HG13      VAL  42  -0.274   6.673   0.627
  243   HG21  VAL  42          HG21      VAL  42   1.172   8.039  -0.891
  244   HG22  VAL  42          HG22      VAL  42   2.725   7.396  -1.467
  245   HG23  VAL  42          HG23      VAL  42   1.207   6.680  -2.027
  246    H    GLU  43           H        GLU  43   4.203   4.732   1.124
  247    HA   GLU  43           HA       GLU  43   6.234   6.229  -0.391
  248    HB2  GLU  43           HB2      GLU  43   6.778   6.782   1.960
  249    HB3  GLU  43           HB3      GLU  43   6.860   5.075   2.361
  250    HG2  GLU  43           HG2      GLU  43   8.759   4.817   0.786
  251    HG3  GLU  43           HG3      GLU  43   8.673   6.540   0.419
  252    H    VAL  44           H        VAL  44   6.752   4.850  -2.037
  253    HA   VAL  44           HA       VAL  44   6.204   1.916  -1.650
  254    HB   VAL  44           HB       VAL  44   5.828   3.536  -4.160
  255   HG11  VAL  44          HG11      VAL  44   5.064   0.682  -3.420
  256   HG12  VAL  44          HG12      VAL  44   4.698   1.523  -4.952
  257   HG13  VAL  44          HG13      VAL  44   6.370   1.142  -4.530
  258   HG21  VAL  44          HG21      VAL  44   4.022   2.680  -1.920
  259   HG22  VAL  44          HG22      VAL  44   4.098   4.239  -2.744
  260   HG23  VAL  44          HG23      VAL  44   3.380   2.839  -3.587
  261    H    HIS  45           H        HIS  45   7.627   0.562  -1.957
  262    HA   HIS  45           HA       HIS  45  10.360   1.367  -2.890
  263    HB2  HIS  45           HB2      HIS  45   9.245  -0.199  -0.578
  264    HB3  HIS  45           HB3      HIS  45  10.887  -0.551  -1.144
  265    HD1  HIS  45           HD1      HIS  45  12.779   0.975  -0.325
  266    HD2  HIS  45           HD2      HIS  45   8.890   2.444   0.361
  267    HE1  HIS  45           HE1      HIS  45  13.052   3.153   0.992
  268    H    LEU  46           H        LEU  46   9.950   0.661  -5.031
  269    HA   LEU  46           HA       LEU  46   9.117  -1.977  -5.729
  270    HB2  LEU  46           HB2      LEU  46   9.338   0.120  -7.126
  271    HB3  LEU  46           HB3      LEU  46  11.055  -0.102  -7.172
  272    HG   LEU  46           HG       LEU  46   9.585  -0.817  -9.188
  273   HD11  LEU  46          HD11      LEU  46  11.960  -1.170  -9.029
  274   HD12  LEU  46          HD12      LEU  46  11.140  -2.504  -9.859
  275   HD13  LEU  46          HD13      LEU  46  11.700  -2.716  -8.183
  276   HD21  LEU  46          HD21      LEU  46   9.352  -3.430  -7.655
  277   HD22  LEU  46          HD22      LEU  46   8.761  -3.053  -9.282
  278   HD23  LEU  46          HD23      LEU  46   8.009  -2.284  -7.877
  279    H    GLU  47           H        GLU  47  12.142  -0.646  -4.682
  280    HA   GLU  47           HA       GLU  47  13.902  -2.844  -5.365
  281    HB2  GLU  47           HB2      GLU  47  14.125  -0.553  -3.394
  282    HB3  GLU  47           HB3      GLU  47  15.446  -1.688  -3.701
  283    HG2  GLU  47           HG2      GLU  47  15.633  -1.029  -5.995
  284    HG3  GLU  47           HG3      GLU  47  14.131  -0.105  -5.939
  285    H    ASP  48           H        ASP  48  11.847  -2.362  -2.505
  286    HA   ASP  48           HA       ASP  48  12.813  -5.001  -1.477
  287    HB2  ASP  48           HB2      ASP  48  12.258  -2.651  -0.029
  288    HB3  ASP  48           HB3      ASP  48  10.790  -3.541   0.121
  289    H    GLN  49           H        GLN  49  10.613  -3.891  -3.580
  290    HA   GLN  49           HA       GLN  49   8.475  -4.109  -4.183
  291    HB2  GLN  49           HB2      GLN  49   8.601  -6.976  -3.267
  292    HB3  GLN  49           HB3      GLN  49   7.565  -6.263  -4.495
  293    HG2  GLN  49           HG2      GLN  49   9.209  -7.424  -5.703
  294    HG3  GLN  49           HG3      GLN  49   9.611  -5.722  -5.873
  295   HE21  GLN  49          HE21      GLN  49  11.800  -5.282  -5.569
  296   HE22  GLN  49          HE22      GLN  49  12.903  -6.346  -4.690
  297    H    MET  50           H        MET  50   8.722  -2.869  -1.830
  298    HA   MET  50           HA       MET  50   6.539  -3.911  -0.122
  299    HB2  MET  50           HB2      MET  50   8.635  -3.953   1.026
  300    HB3  MET  50           HB3      MET  50   8.980  -2.269   0.615
  301    HG2  MET  50           HG2      MET  50   7.427  -1.417   2.133
  302    HG3  MET  50           HG3      MET  50   6.534  -2.928   2.252
  303    HE1  MET  50           HE1      MET  50   6.877  -4.811   3.765
  304    HE2  MET  50           HE2      MET  50   8.393  -5.225   2.913
  305    HE3  MET  50           HE3      MET  50   8.365  -5.132   4.686
  306    H    VAL  51           H        VAL  51   5.065  -2.419   0.819
  307    HA   VAL  51           HA       VAL  51   4.926   0.318  -0.365
  308    HB   VAL  51           HB       VAL  51   2.380  -1.199   0.241
  309   HG11  VAL  51          HG11      VAL  51   1.501   0.291  -1.425
  310   HG12  VAL  51          HG12      VAL  51   2.535   1.274  -0.362
  311   HG13  VAL  51          HG13      VAL  51   3.139   0.729  -1.956
  312   HG21  VAL  51          HG21      VAL  51   2.203  -1.891  -2.136
  313   HG22  VAL  51          HG22      VAL  51   3.936  -1.536  -2.344
  314   HG23  VAL  51          HG23      VAL  51   3.399  -2.801  -1.207
  315    H    LEU  52           H        LEU  52   5.029   1.779   1.232
  316    HA   LEU  52           HA       LEU  52   3.983   1.120   3.934
  317    HB2  LEU  52           HB2      LEU  52   5.564   3.524   2.992
  318    HB3  LEU  52           HB3      LEU  52   4.944   3.266   4.603
  319    HG   LEU  52           HG       LEU  52   6.411   1.024   4.477
  320   HD11  LEU  52          HD11      LEU  52   7.865   2.791   2.481
  321   HD12  LEU  52          HD12      LEU  52   7.143   1.207   2.127
  322   HD13  LEU  52          HD13      LEU  52   8.512   1.319   3.230
  323   HD21  LEU  52          HD21      LEU  52   8.350   2.266   5.384
  324   HD22  LEU  52          HD22      LEU  52   6.831   2.868   6.050
  325   HD23  LEU  52          HD23      LEU  52   7.661   3.785   4.775
  326    H    VAL  53           H        VAL  53   2.158   1.918   4.626
  327    HA   VAL  53           HA       VAL  53   0.793   4.108   3.128
  328    HB   VAL  53           HB       VAL  53  -0.555   1.544   4.041
  329   HG11  VAL  53          HG11      VAL  53  -2.500   2.456   2.812
  330   HG12  VAL  53          HG12      VAL  53  -1.991   3.592   4.065
  331   HG13  VAL  53          HG13      VAL  53  -1.569   3.905   2.374
  332   HG21  VAL  53          HG21      VAL  53   0.776   0.997   2.088
  333   HG22  VAL  53          HG22      VAL  53  -0.918   1.113   1.608
  334   HG23  VAL  53          HG23      VAL  53   0.202   2.445   1.234
  335    H    HIS  54           H        HIS  54   0.879   5.679   4.508
  336    HA   HIS  54           HA       HIS  54   0.578   5.404   7.414
  337    HB2  HIS  54           HB2      HIS  54   0.728   7.864   5.624
  338    HB3  HIS  54           HB3      HIS  54   0.877   7.859   7.348
  339    HD1  HIS  54           HD1      HIS  54   3.268   7.819   8.231
  340    HD2  HIS  54           HD2      HIS  54   2.874   6.329   4.320
  341    HE1  HIS  54           HE1      HIS  54   5.630   7.356   7.401
  342    H    THR  55           H        THR  55  -1.529   4.728   7.954
  343    HA   THR  55           HA       THR  55  -3.819   6.372   6.989
  344    HB   THR  55           HB       THR  55  -3.432   4.751   5.239
  345    HG1  THR  55           HG1      THR  55  -5.560   5.352   5.860
  346   HG21  THR  55          HG21      THR  55  -4.072   2.544   7.250
  347   HG22  THR  55          HG22      THR  55  -2.447   2.862   6.605
  348   HG23  THR  55          HG23      THR  55  -3.751   2.375   5.513
  349    H    THR  56           H        THR  56  -5.817   6.071   8.012
  350    HA   THR  56           HA       THR  56  -5.763   4.791  10.692
  351    HB   THR  56           HB       THR  56  -7.700   5.976  11.235
  352    HG1  THR  56           HG1      THR  56  -8.755   7.303   9.702
  353   HG21  THR  56          HG21      THR  56  -5.577   7.381  11.016
  354   HG22  THR  56          HG22      THR  56  -7.107   8.252  11.051
  355   HG23  THR  56          HG23      THR  56  -6.262   8.009   9.505
  356    H    LEU  57           H        LEU  57  -6.500   3.765   7.615
  357    HA   LEU  57           HA       LEU  57  -8.960   2.331   8.035
  358    HB2  LEU  57           HB2      LEU  57  -6.721   2.023   5.992
  359    HB3  LEU  57           HB3      LEU  57  -8.279   1.227   5.858
  360    HG   LEU  57           HG       LEU  57  -7.840   4.256   5.817
  361   HD11  LEU  57          HD11      LEU  57  -8.457   4.076   3.454
  362   HD12  LEU  57          HD12      LEU  57  -8.614   2.314   3.603
  363   HD13  LEU  57          HD13      LEU  57  -7.023   3.092   3.792
  364   HD21  LEU  57          HD21      LEU  57 -10.036   3.765   6.749
  365   HD22  LEU  57          HD22      LEU  57 -10.351   2.611   5.431
  366   HD23  LEU  57          HD23      LEU  57 -10.199   4.351   5.092
  367    HA   PRO  58           HA       PRO  58  -7.350  -1.433   9.894
  368    HB2  PRO  58           HB2      PRO  58  -9.312  -3.088   8.438
  369    HB3  PRO  58           HB3      PRO  58  -9.254  -2.736  10.183
  370    HG2  PRO  58           HG2      PRO  58 -11.223  -1.728   8.539
  371    HG3  PRO  58           HG3      PRO  58 -10.567  -0.770   9.910
  372    HD2  PRO  58           HD2      PRO  58  -9.643  -0.759   7.029
  373    HD3  PRO  58           HD3      PRO  58 -10.219   0.627   7.897
  374    H    SER  59           H        SER  59  -5.778  -3.082   9.200
  375    HA   SER  59           HA       SER  59  -4.782  -2.714   6.541
  376    HB2  SER  59           HB2      SER  59  -3.772  -5.164   7.641
  377    HB3  SER  59           HB3      SER  59  -2.935  -3.639   7.325
  378    HG   SER  59           HG       SER  59  -3.841  -4.750   9.636
  379    H    GLN  60           H        GLN  60  -7.111  -5.018   7.810
  380    HA   GLN  60           HA       GLN  60  -7.281  -6.848   5.613
  381    HB2  GLN  60           HB2      GLN  60  -9.439  -5.585   7.364
  382    HB3  GLN  60           HB3      GLN  60  -9.726  -6.931   6.258
  383    HG2  GLN  60           HG2      GLN  60  -8.339  -8.419   7.556
  384    HG3  GLN  60           HG3      GLN  60  -7.694  -7.101   8.516
  385   HE21  GLN  60          HE21      GLN  60  -8.469  -7.408  10.553
  386   HE22  GLN  60          HE22      GLN  60 -10.112  -7.971  10.899
  387    H    GLU  61           H        GLU  61  -8.471  -3.484   5.949
  388    HA   GLU  61           HA       GLU  61 -10.013  -3.545   3.466
  389    HB2  GLU  61           HB2      GLU  61 -10.485  -2.133   5.555
  390    HB3  GLU  61           HB3      GLU  61  -9.122  -1.099   5.037
  391    HG2  GLU  61           HG2      GLU  61 -10.218  -0.652   2.924
  392    HG3  GLU  61           HG3      GLU  61 -11.516  -1.777   3.372
  393    H    VAL  62           H        VAL  62  -6.831  -2.193   4.532
  394    HA   VAL  62           HA       VAL  62  -6.206  -1.032   2.028
  395    HB   VAL  62           HB       VAL  62  -4.192  -2.033   4.078
  396   HG11  VAL  62          HG11      VAL  62  -3.318  -1.118   1.939
  397   HG12  VAL  62          HG12      VAL  62  -4.232   0.374   2.210
  398   HG13  VAL  62          HG13      VAL  62  -2.899  -0.076   3.304
  399   HG21  VAL  62          HG21      VAL  62  -5.771  -0.759   5.395
  400   HG22  VAL  62          HG22      VAL  62  -4.321   0.178   5.167
  401   HG23  VAL  62          HG23      VAL  62  -5.774   0.560   4.202
  402    H    GLN  63           H        GLN  63  -5.526  -4.330   3.335
  403    HA   GLN  63           HA       GLN  63  -4.052  -5.358   1.094
  404    HB2  GLN  63           HB2      GLN  63  -4.332  -6.554   3.223
  405    HB3  GLN  63           HB3      GLN  63  -6.055  -6.654   2.978
  406    HG2  GLN  63           HG2      GLN  63  -5.553  -7.988   0.826
  407    HG3  GLN  63           HG3      GLN  63  -3.860  -8.034   1.386
  408   HE21  GLN  63          HE21      GLN  63  -7.036  -9.461   1.744
  409   HE22  GLN  63          HE22      GLN  63  -6.529 -10.621   2.974
  410    H    ALA  64           H        ALA  64  -7.655  -4.993   1.491
  411    HA   ALA  64           HA       ALA  64  -8.057  -6.317  -1.078
  412    HB1  ALA  64           HB1      ALA  64  -9.971  -4.761   0.740
  413    HB2  ALA  64           HB2      ALA  64 -10.443  -5.768  -0.648
  414    HB3  ALA  64           HB3      ALA  64  -9.690  -6.516   0.773
  415    H    LEU  65           H        LEU  65  -7.607  -2.995   0.045
  416    HA   LEU  65           HA       LEU  65  -8.371  -1.700  -2.371
  417    HB2  LEU  65           HB2      LEU  65  -6.728  -0.891  -0.004
  418    HB3  LEU  65           HB3      LEU  65  -6.915   0.164  -1.381
  419    HG   LEU  65           HG       LEU  65  -9.309  -0.964   0.144
  420   HD11  LEU  65          HD11      LEU  65  -9.435   1.253   1.217
  421   HD12  LEU  65          HD12      LEU  65  -7.903   1.719   0.442
  422   HD13  LEU  65          HD13      LEU  65  -7.944   0.409   1.651
  423   HD21  LEU  65          HD21      LEU  65 -10.494   0.941  -0.899
  424   HD22  LEU  65          HD22      LEU  65  -9.858  -0.159  -2.123
  425   HD23  LEU  65          HD23      LEU  65  -9.024   1.376  -1.784
  426    H    LEU  66           H        LEU  66  -5.218  -2.738  -1.096
  427    HA   LEU  66           HA       LEU  66  -3.559  -2.062  -3.333
  428    HB2  LEU  66           HB2      LEU  66  -3.372  -4.157  -1.127
  429    HB3  LEU  66           HB3      LEU  66  -2.075  -3.880  -2.277
  430    HG   LEU  66           HG       LEU  66  -3.129  -1.567  -0.611
  431   HD11  LEU  66          HD11      LEU  66  -1.031  -3.613   0.236
  432   HD12  LEU  66          HD12      LEU  66  -2.591  -3.293   1.036
  433   HD13  LEU  66          HD13      LEU  66  -1.341  -2.057   1.040
  434   HD21  LEU  66          HD21      LEU  66  -0.405  -2.185  -1.818
  435   HD22  LEU  66          HD22      LEU  66  -0.856  -0.718  -0.922
  436   HD23  LEU  66          HD23      LEU  66  -1.611  -1.060  -2.486
  437    H    GLU  67           H        GLU  67  -5.290  -5.097  -2.512
  438    HA   GLU  67           HA       GLU  67  -4.708  -6.628  -4.820
  439    HB2  GLU  67           HB2      GLU  67  -7.008  -6.433  -2.868
  440    HB3  GLU  67           HB3      GLU  67  -7.161  -7.477  -4.223
  441    HG2  GLU  67           HG2      GLU  67  -4.836  -8.470  -3.459
  442    HG3  GLU  67           HG3      GLU  67  -5.125  -7.665  -1.963
  443    H    GLY  68           H        GLY  68  -6.904  -3.911  -4.508
  444    HA2  GLY  68           HA2      GLY  68  -8.288  -4.158  -7.026
  445    HA3  GLY  68           HA3      GLY  68  -8.136  -2.706  -6.033
  446    H    THR  69           H        THR  69  -5.013  -3.596  -6.562
  447    HA   THR  69           HA       THR  69  -4.689  -1.911  -9.003
  448    HB   THR  69           HB       THR  69  -2.460  -1.432  -8.343
  449    HG1  THR  69           HG1      THR  69  -2.878  -3.129  -6.116
  450   HG21  THR  69          HG21      THR  69  -2.886  -0.176  -6.331
  451   HG22  THR  69          HG22      THR  69  -4.277  -1.182  -5.913
  452   HG23  THR  69          HG23      THR  69  -4.320  -0.146  -7.359
  453    H    GLY  70           H        GLY  70  -5.155  -5.050  -8.571
  454    HA2  GLY  70           HA2      GLY  70  -5.214  -6.496 -10.412
  455    HA3  GLY  70           HA3      GLY  70  -3.908  -5.604 -11.190
  456    H    ARG  71           H        ARG  71  -3.396  -6.555  -7.920
  457    HA   ARG  71           HA       ARG  71  -1.597  -8.814  -8.548
  458    HB2  ARG  71           HB2      ARG  71   0.313  -7.530  -7.528
  459    HB3  ARG  71           HB3      ARG  71  -0.238  -6.967  -9.079
  460    HG2  ARG  71           HG2      ARG  71  -1.657  -5.210  -7.639
  461    HG3  ARG  71           HG3      ARG  71  -0.612  -5.695  -6.332
  462    HD2  ARG  71           HD2      ARG  71   0.306  -3.723  -7.308
  463    HD3  ARG  71           HD3      ARG  71   1.365  -5.024  -7.851
  464    HE   ARG  71           HE       ARG  71  -0.754  -3.611  -9.451
  465   HH11  ARG  71          HH11      ARG  71   1.977  -5.864  -9.637
  466   HH12  ARG  71          HH12      ARG  71   1.897  -5.868 -11.383
  467   HH21  ARG  71          HH21      ARG  71  -0.913  -3.852 -11.550
  468   HH22  ARG  71          HH22      ARG  71   0.281  -4.772 -12.438
  469    H    GLN  72           H        GLN  72  -0.579  -9.670  -6.664
  470    HA   GLN  72           HA       GLN  72  -2.396  -9.678  -4.350
  471    HB2  GLN  72           HB2      GLN  72  -0.009 -11.395  -5.080
  472    HB3  GLN  72           HB3      GLN  72  -0.811 -11.490  -3.512
  473    HG2  GLN  72           HG2      GLN  72  -2.180 -11.963  -6.197
  474    HG3  GLN  72           HG3      GLN  72  -1.631 -13.215  -5.083
  475   HE21  GLN  72          HE21      GLN  72  -2.618 -13.000  -2.715
  476   HE22  GLN  72          HE22      GLN  72  -4.290 -12.473  -2.670
  477    H    ALA  73           H        ALA  73  -1.780  -9.485  -2.302
  478    HA   ALA  73           HA       ALA  73   0.443  -7.671  -1.463
  479    HB1  ALA  73           HB1      ALA  73  -1.240  -6.204  -0.413
  480    HB2  ALA  73           HB2      ALA  73  -1.481  -6.268  -2.175
  481    HB3  ALA  73           HB3      ALA  73  -2.554  -7.188  -1.101
  482    H    VAL  74           H        VAL  74   1.229  -8.337   0.405
  483    HA   VAL  74           HA       VAL  74  -0.358  -9.902   2.398
  484    HB   VAL  74           HB       VAL  74   2.415 -10.517   1.317
  485   HG11  VAL  74          HG11      VAL  74   2.479 -12.382   2.985
  486   HG12  VAL  74          HG12      VAL  74   2.597 -10.784   3.715
  487   HG13  VAL  74          HG13      VAL  74   1.056 -11.676   3.779
  488   HG21  VAL  74          HG21      VAL  74   1.442 -12.765   0.901
  489   HG22  VAL  74          HG22      VAL  74  -0.135 -12.169   1.487
  490   HG23  VAL  74          HG23      VAL  74   0.594 -11.501   0.003
  491    H    LEU  75           H        LEU  75  -0.243  -8.887   4.306
  492    HA   LEU  75           HA       LEU  75   1.590  -6.681   4.757
  493    HB2  LEU  75           HB2      LEU  75  -0.722  -6.816   5.483
  494    HB3  LEU  75           HB3      LEU  75  -0.318  -8.013   6.655
  495    HG   LEU  75           HG       LEU  75   0.836  -6.435   8.062
  496   HD11  LEU  75          HD11      LEU  75   1.140  -3.971   7.148
  497   HD12  LEU  75          HD12      LEU  75   1.101  -4.726   5.556
  498   HD13  LEU  75          HD13      LEU  75   2.352  -5.156   6.757
  499   HD21  LEU  75          HD21      LEU  75  -1.060  -4.842   6.394
  500   HD22  LEU  75          HD22      LEU  75  -0.686  -4.522   8.129
  501   HD23  LEU  75          HD23      LEU  75  -1.602  -5.995   7.662
  502    H    LYS  76           H        LYS  76   3.237  -6.460   6.052
  503    HA   LYS  76           HA       LYS  76   4.531  -8.910   7.192
  504    HB2  LYS  76           HB2      LYS  76   5.814  -6.290   6.356
  505    HB3  LYS  76           HB3      LYS  76   6.643  -7.649   7.059
  506    HG2  LYS  76           HG2      LYS  76   5.141  -7.769   4.403
  507    HG3  LYS  76           HG3      LYS  76   6.863  -7.448   4.558
  508    HD2  LYS  76           HD2      LYS  76   5.471 -10.025   5.396
  509    HD3  LYS  76           HD3      LYS  76   6.392  -9.766   3.914
  510    HE2  LYS  76           HE2      LYS  76   8.421  -9.232   5.303
  511    HE3  LYS  76           HE3      LYS  76   7.498  -9.653   6.753
  512    HZ1  LYS  76           HZ1      LYS  76   8.144 -11.491   4.504
  513    HZ2  LYS  76           HZ2      LYS  76   7.170 -11.893   5.746
  514    HZ3  LYS  76           HZ3      LYS  76   8.757 -11.566   6.023
  515    H    GLY  77           H        GLY  77   3.713  -5.564   8.007
  516    HA2  GLY  77           HA2      GLY  77   2.536  -6.037  10.390
  517    HA3  GLY  77           HA3      GLY  77   4.242  -5.867  10.854
  518    H    MET  78           H        MET  78   3.581  -3.986  12.057
  519    HA   MET  78           HA       MET  78   2.917  -1.573  10.486
  520    HB2  MET  78           HB2      MET  78   2.430  -2.345  13.389
  521    HB3  MET  78           HB3      MET  78   2.254  -0.714  12.755
  522    HG2  MET  78           HG2      MET  78   0.076  -1.560  12.607
  523    HG3  MET  78           HG3      MET  78   0.710  -1.691  10.974
  524    HE1  MET  78           HE1      MET  78  -1.673  -4.709  10.994
  525    HE2  MET  78           HE2      MET  78  -1.933  -3.114  11.738
  526    HE3  MET  78           HE3      MET  78  -1.122  -3.239  10.159
  527    H    GLY  79           H        GLY  79   4.039   0.328  10.839
  528    HA2  GLY  79           HA2      GLY  79   6.856  -0.046  11.151
  529    HA3  GLY  79           HA3      GLY  79   6.125   1.498  10.878
  Start of MODEL    2
    1    H    GLY   9           H        GLY   9 -10.890   4.811  14.565
    2    HA2  GLY   9           HA2      GLY   9  -8.828   3.263  13.294
    3    HA3  GLY   9           HA3      GLY   9  -9.600   4.400  12.174
    4    H    THR  10           H        THR  10  -6.984   4.123  13.863
    5    HA   THR  10           HA       THR  10  -6.621   7.041  14.028
    6    HB   THR  10           HB       THR  10  -7.027   6.250  16.297
    7    HG1  THR  10           HG1      THR  10  -5.443   7.415  17.155
    8   HG21  THR  10          HG21      THR  10  -5.909   4.018  16.197
    9   HG22  THR  10          HG22      THR  10  -5.273   5.016  17.516
   10   HG23  THR  10          HG23      THR  10  -4.335   4.820  16.019
   11    H    LEU  11           H        LEU  11  -4.345   7.671  13.929
   12    HA   LEU  11           HA       LEU  11  -3.511   6.465  11.480
   13    HB2  LEU  11           HB2      LEU  11  -3.448   8.995  12.412
   14    HB3  LEU  11           HB3      LEU  11  -1.802   8.494  12.797
   15    HG   LEU  11           HG       LEU  11  -1.941   9.792  10.775
   16   HD11  LEU  11          HD11      LEU  11  -1.111   6.989   9.986
   17   HD12  LEU  11          HD12      LEU  11  -0.134   8.100  10.982
   18   HD13  LEU  11          HD13      LEU  11  -0.561   8.548   9.323
   19   HD21  LEU  11          HD21      LEU  11  -3.597   7.526   9.635
   20   HD22  LEU  11          HD22      LEU  11  -2.833   8.782   8.668
   21   HD23  LEU  11          HD23      LEU  11  -4.084   9.215   9.860
   22    H    CYS  12           H        CYS  12  -2.077   5.150  10.985
   23    HA   CYS  12           HA       CYS  12   0.252   4.313  12.626
   24    HB2  CYS  12           HB2      CYS  12  -2.127   2.590  11.829
   25    HB3  CYS  12           HB3      CYS  12  -0.553   1.892  12.241
   26    HG   CYS  12           HG       CYS  12  -2.373   1.691  14.162
   27    H    THR  13           H        THR  13   1.759   2.983  11.374
   28    HA   THR  13           HA       THR  13   1.586   3.440   8.391
   29    HB   THR  13           HB       THR  13   4.007   2.622  10.023
   30    HG1  THR  13           HG1      THR  13   4.733   4.683   9.696
   31   HG21  THR  13          HG21      THR  13   4.085   1.964   7.631
   32   HG22  THR  13          HG22      THR  13   5.216   3.277   7.948
   33   HG23  THR  13          HG23      THR  13   3.669   3.630   7.157
   34    H    LEU  14           H        LEU  14   0.849   1.735   7.281
   35    HA   LEU  14           HA       LEU  14   1.362  -1.053   8.275
   36    HB2  LEU  14           HB2      LEU  14  -0.579   0.201   6.340
   37    HB3  LEU  14           HB3      LEU  14  -0.160  -1.507   6.242
   38    HG   LEU  14           HG       LEU  14  -1.112  -2.063   8.293
   39   HD11  LEU  14          HD11      LEU  14  -1.469   0.864   9.010
   40   HD12  LEU  14          HD12      LEU  14  -0.347  -0.292   9.768
   41   HD13  LEU  14          HD13      LEU  14  -2.078  -0.545   9.922
   42   HD21  LEU  14          HD21      LEU  14  -2.892   0.111   7.110
   43   HD22  LEU  14          HD22      LEU  14  -3.432  -1.235   8.124
   44   HD23  LEU  14          HD23      LEU  14  -2.774  -1.557   6.509
   45    H    GLU  15           H        GLU  15   3.028  -2.177   7.480
   46    HA   GLU  15           HA       GLU  15   4.381  -1.250   4.990
   47    HB2  GLU  15           HB2      GLU  15   5.521  -2.794   7.342
   48    HB3  GLU  15           HB3      GLU  15   6.377  -2.325   5.867
   49    HG2  GLU  15           HG2      GLU  15   5.776   0.084   6.420
   50    HG3  GLU  15           HG3      GLU  15   5.252  -0.479   8.005
   51    H    PHE  16           H        PHE  16   3.283  -2.363   3.436
   52    HA   PHE  16           HA       PHE  16   2.755  -5.302   3.767
   53    HB2  PHE  16           HB2      PHE  16   1.758  -3.262   1.722
   54    HB3  PHE  16           HB3      PHE  16   1.446  -4.987   1.651
   55    HD1  PHE  16           HD1      PHE  16   0.534  -1.934   3.501
   56    HD2  PHE  16           HD2      PHE  16  -0.162  -6.137   2.832
   57    HE1  PHE  16           HE1      PHE  16  -1.698  -1.740   4.559
   58    HE2  PHE  16           HE2      PHE  16  -2.388  -5.947   3.914
   59    HZ   PHE  16           HZ       PHE  16  -3.173  -3.759   4.744
   60    H    ALA  17           H        ALA  17   3.335  -6.820   2.385
   61    HA   ALA  17           HA       ALA  17   5.382  -6.249   0.272
   62    HB1  ALA  17           HB1      ALA  17   4.244  -8.863   1.342
   63    HB2  ALA  17           HB2      ALA  17   5.527  -8.706   0.121
   64    HB3  ALA  17           HB3      ALA  17   5.813  -8.139   1.782
   65    H    VAL  18           H        VAL  18   4.884  -6.400  -1.937
   66    HA   VAL  18           HA       VAL  18   2.199  -7.345  -2.802
   67    HB   VAL  18           HB       VAL  18   1.939  -5.319  -4.216
   68   HG11  VAL  18          HG11      VAL  18   0.678  -5.491  -2.089
   69   HG12  VAL  18          HG12      VAL  18   1.995  -4.644  -1.245
   70   HG13  VAL  18          HG13      VAL  18   1.069  -3.828  -2.517
   71   HG21  VAL  18          HG21      VAL  18   4.202  -4.495  -4.267
   72   HG22  VAL  18          HG22      VAL  18   3.080  -3.298  -3.579
   73   HG23  VAL  18          HG23      VAL  18   4.163  -4.206  -2.511
   74    H    GLN  19           H        GLN  19   1.984  -7.726  -5.092
   75    HA   GLN  19           HA       GLN  19   4.603  -8.463  -6.337
   76    HB2  GLN  19           HB2      GLN  19   1.736  -9.271  -6.874
   77    HB3  GLN  19           HB3      GLN  19   3.045  -9.650  -7.989
   78    HG2  GLN  19           HG2      GLN  19   2.998 -10.484  -5.051
   79    HG3  GLN  19           HG3      GLN  19   2.529 -11.512  -6.402
   80   HE21  GLN  19          HE21      GLN  19   4.593 -12.235  -4.581
   81   HE22  GLN  19          HE22      GLN  19   6.128 -12.195  -5.466
   82    H    MET  20           H        MET  20   5.339  -6.408  -6.869
   83    HA   MET  20           HA       MET  20   4.798  -5.919  -9.701
   84    HB2  MET  20           HB2      MET  20   4.988  -3.407  -9.340
   85    HB3  MET  20           HB3      MET  20   3.435  -4.113  -8.900
   86    HG2  MET  20           HG2      MET  20   3.831  -3.924  -6.584
   87    HG3  MET  20           HG3      MET  20   5.571  -3.766  -6.788
   88    HE1  MET  20           HE1      MET  20   3.676  -1.964  -4.951
   89    HE2  MET  20           HE2      MET  20   5.466  -2.012  -4.979
   90    HE3  MET  20           HE3      MET  20   4.556  -0.452  -5.075
   91    H    THR  21           H        THR  21   6.771  -5.165 -10.768
   92    HA   THR  21           HA       THR  21   9.154  -4.685  -9.091
   93    HB   THR  21           HB       THR  21   8.796  -7.076  -9.042
   94    HG1  THR  21           HG1      THR  21  10.811  -7.540  -9.066
   95   HG21  THR  21          HG21      THR  21   9.664  -7.127 -11.926
   96   HG22  THR  21          HG22      THR  21   8.056  -7.580 -11.288
   97   HG23  THR  21          HG23      THR  21   9.485  -8.515 -10.820
   98    H    CYS  22           H        CYS  22   7.588  -3.736 -11.728
   99    HA   CYS  22           HA       CYS  22  10.042  -2.448 -12.750
  100    HB2  CYS  22           HB2      CYS  22  10.005  -3.428 -14.717
  101    HB3  CYS  22           HB3      CYS  22   8.881  -4.549 -14.051
  102    H    GLN  23           H        GLN  23   9.601  -0.539 -14.153
  103    HA   GLN  23           HA       GLN  23   8.823   1.358 -12.243
  104    HB2  GLN  23           HB2      GLN  23   9.570   1.580 -15.164
  105    HB3  GLN  23           HB3      GLN  23   9.285   3.000 -14.171
  106    HG2  GLN  23           HG2      GLN  23  11.332   0.874 -13.405
  107    HG3  GLN  23           HG3      GLN  23  11.711   2.262 -14.416
  108   HE21  GLN  23          HE21      GLN  23  11.915   1.259 -11.237
  109   HE22  GLN  23          HE22      GLN  23  11.816   2.862 -10.485
  110    H    SER  24           H        SER  24   6.893   0.584 -15.252
  111    HA   SER  24           HA       SER  24   5.058   2.781 -14.750
  112    HB2  SER  24           HB2      SER  24   4.855   0.298 -16.492
  113    HB3  SER  24           HB3      SER  24   3.616   1.568 -16.431
  114    HG   SER  24           HG       SER  24   5.050   1.929 -18.113
  115    H    CYS  25           H        CYS  25   5.242  -0.355 -13.278
  116    HA   CYS  25           HA       CYS  25   2.426  -0.384 -12.488
  117    HB2  CYS  25           HB2      CYS  25   4.776  -2.119 -11.663
  118    HB3  CYS  25           HB3      CYS  25   3.072  -2.462 -11.407
  119    H    VAL  26           H        VAL  26   5.556   0.524 -11.082
  120    HA   VAL  26           HA       VAL  26   4.920   1.017  -8.407
  121    HB   VAL  26           HB       VAL  26   6.644   2.938 -10.004
  122   HG11  VAL  26          HG11      VAL  26   8.154   2.723  -8.128
  123   HG12  VAL  26          HG12      VAL  26   6.529   3.072  -7.479
  124   HG13  VAL  26          HG13      VAL  26   7.186   1.411  -7.446
  125   HG21  VAL  26          HG21      VAL  26   8.501   1.328  -9.911
  126   HG22  VAL  26          HG22      VAL  26   7.313   0.063  -9.433
  127   HG23  VAL  26          HG23      VAL  26   7.188   0.866 -10.992
  128    H    ASP  27           H        ASP  27   4.775   3.293 -11.173
  129    HA   ASP  27           HA       ASP  27   3.390   5.431  -9.887
  130    HB2  ASP  27           HB2      ASP  27   3.907   4.515 -12.708
  131    HB3  ASP  27           HB3      ASP  27   2.542   5.590 -12.465
  132    H    ALA  28           H        ALA  28   2.158   2.409 -11.401
  133    HA   ALA  28           HA       ALA  28  -0.602   3.352 -11.398
  134    HB1  ALA  28           HB1      ALA  28   0.378   0.463 -11.414
  135    HB2  ALA  28           HB2      ALA  28  -1.194   1.066 -11.922
  136    HB3  ALA  28           HB3      ALA  28   0.250   1.490 -12.875
  137    H    VAL  29           H        VAL  29   1.313   1.304  -9.087
  138    HA   VAL  29           HA       VAL  29  -0.972   0.897  -7.441
  139    HB   VAL  29           HB       VAL  29   1.980   0.424  -6.890
  140   HG11  VAL  29          HG11      VAL  29   1.183  -1.138  -5.183
  141   HG12  VAL  29          HG12      VAL  29   0.549   0.481  -4.838
  142   HG13  VAL  29          HG13      VAL  29  -0.504  -0.752  -5.591
  143   HG21  VAL  29          HG21      VAL  29  -0.212  -1.538  -7.758
  144   HG22  VAL  29          HG22      VAL  29   1.045  -0.950  -8.831
  145   HG23  VAL  29          HG23      VAL  29   1.485  -1.933  -7.438
  146    H    ARG  30           H        ARG  30   1.765   3.217  -7.382
  147    HA   ARG  30           HA       ARG  30   1.137   4.613  -4.923
  148    HB2  ARG  30           HB2      ARG  30   2.388   5.434  -7.619
  149    HB3  ARG  30           HB3      ARG  30   2.222   6.570  -6.306
  150    HG2  ARG  30           HG2      ARG  30   3.723   5.365  -4.892
  151    HG3  ARG  30           HG3      ARG  30   3.740   3.953  -5.950
  152    HD2  ARG  30           HD2      ARG  30   4.979   5.011  -7.649
  153    HD3  ARG  30           HD3      ARG  30   4.683   6.637  -6.996
  154    HE   ARG  30           HE       ARG  30   6.928   5.055  -6.516
  155   HH11  ARG  30          HH11      ARG  30   4.951   7.249  -4.598
  156   HH12  ARG  30          HH12      ARG  30   6.161   7.319  -3.350
  157   HH21  ARG  30          HH21      ARG  30   8.353   5.233  -4.958
  158   HH22  ARG  30          HH22      ARG  30   7.995   6.175  -3.517
  159    H    LYS  31           H        LYS  31  -0.186   4.988  -8.263
  160    HA   LYS  31           HA       LYS  31  -1.851   7.220  -7.256
  161    HB2  LYS  31           HB2      LYS  31  -1.356   6.246 -10.070
  162    HB3  LYS  31           HB3      LYS  31  -2.391   7.618  -9.588
  163    HG2  LYS  31           HG2      LYS  31  -0.325   8.353  -8.112
  164    HG3  LYS  31           HG3      LYS  31   0.621   7.292  -9.148
  165    HD2  LYS  31           HD2      LYS  31   0.088   8.677 -11.081
  166    HD3  LYS  31           HD3      LYS  31  -1.155   9.550 -10.147
  167    HE2  LYS  31           HE2      LYS  31   0.597  10.271  -8.526
  168    HE3  LYS  31           HE3      LYS  31   1.837   9.538  -9.548
  169    HZ1  LYS  31           HZ1      LYS  31   1.177  11.072 -11.334
  170    HZ2  LYS  31           HZ2      LYS  31   1.506  11.978 -10.001
  171    HZ3  LYS  31           HZ3      LYS  31  -0.046  11.668 -10.465
  172    H    SER  32           H        SER  32  -2.471   3.860  -7.766
  173    HA   SER  32           HA       SER  32  -5.334   4.198  -7.232
  174    HB2  SER  32           HB2      SER  32  -4.224   2.101  -8.120
  175    HB3  SER  32           HB3      SER  32  -3.659   1.838  -6.455
  176    HG   SER  32           HG       SER  32  -6.320   1.984  -7.476
  177    H    LEU  33           H        LEU  33  -2.372   3.947  -5.231
  178    HA   LEU  33           HA       LEU  33  -3.652   3.991  -2.647
  179    HB2  LEU  33           HB2      LEU  33  -0.885   4.542  -3.759
  180    HB3  LEU  33           HB3      LEU  33  -1.209   4.884  -2.088
  181    HG   LEU  33           HG       LEU  33  -1.805   2.136  -3.234
  182   HD11  LEU  33          HD11      LEU  33   0.382   1.403  -2.609
  183   HD12  LEU  33          HD12      LEU  33   0.830   3.005  -1.955
  184   HD13  LEU  33          HD13      LEU  33   0.612   2.762  -3.696
  185   HD21  LEU  33          HD21      LEU  33  -2.678   2.720  -0.981
  186   HD22  LEU  33          HD22      LEU  33  -1.041   3.208  -0.489
  187   HD23  LEU  33          HD23      LEU  33  -1.384   1.509  -0.862
  188    H    GLN  34           H        GLN  34  -2.398   6.618  -4.706
  189    HA   GLN  34           HA       GLN  34  -2.656   8.674  -2.781
  190    HB2  GLN  34           HB2      GLN  34  -2.284   8.496  -5.725
  191    HB3  GLN  34           HB3      GLN  34  -2.883  10.012  -5.169
  192    HG2  GLN  34           HG2      GLN  34  -0.999  10.228  -3.570
  193    HG3  GLN  34           HG3      GLN  34  -0.402   8.650  -4.061
  194   HE21  GLN  34          HE21      GLN  34   1.655   9.585  -4.805
  195   HE22  GLN  34          HE22      GLN  34   1.728  10.718  -6.131
  196    H    GLY  35           H        GLY  35  -4.141   9.849  -2.075
  197    HA2  GLY  35           HA2      GLY  35  -6.205  10.810  -1.670
  198    HA3  GLY  35           HA3      GLY  35  -6.720  10.371  -3.299
  199    H    VAL  36           H        VAL  36  -5.692   7.790  -1.055
  200    HA   VAL  36           HA       VAL  36  -8.278   6.521  -1.028
  201    HB   VAL  36           HB       VAL  36  -5.622   6.024   0.328
  202   HG11  VAL  36          HG11      VAL  36  -8.190   4.465   0.865
  203   HG12  VAL  36          HG12      VAL  36  -6.552   3.930   1.288
  204   HG13  VAL  36          HG13      VAL  36  -7.225   5.363   2.061
  205   HG21  VAL  36          HG21      VAL  36  -7.370   4.267  -1.458
  206   HG22  VAL  36          HG22      VAL  36  -6.089   5.320  -2.072
  207   HG23  VAL  36          HG23      VAL  36  -5.680   3.985  -0.986
  208    H    ALA  37           H        ALA  37  -9.789   6.603   0.377
  209    HA   ALA  37           HA       ALA  37 -10.086   8.779   2.266
  210    HB1  ALA  37           HB1      ALA  37 -12.195   7.598   2.880
  211    HB2  ALA  37           HB2      ALA  37 -12.019   7.831   1.132
  212    HB3  ALA  37           HB3      ALA  37 -11.719   6.238   1.848
  213    H    GLY  38           H        GLY  38  -8.925   8.932   4.090
  214    HA2  GLY  38           HA2      GLY  38  -8.563   8.257   6.365
  215    HA3  GLY  38           HA3      GLY  38  -8.617   6.563   5.884
  216    H    VAL  39           H        VAL  39  -6.723   8.317   3.594
  217    HA   VAL  39           HA       VAL  39  -4.224   7.439   4.944
  218    HB   VAL  39           HB       VAL  39  -4.909   6.888   2.511
  219   HG11  VAL  39          HG11      VAL  39  -4.115   8.333   0.775
  220   HG12  VAL  39          HG12      VAL  39  -5.211   9.302   1.776
  221   HG13  VAL  39          HG13      VAL  39  -3.460   9.502   1.930
  222   HG21  VAL  39          HG21      VAL  39  -2.590   6.658   1.882
  223   HG22  VAL  39          HG22      VAL  39  -2.083   7.828   3.115
  224   HG23  VAL  39          HG23      VAL  39  -2.778   6.265   3.595
  225    H    GLN  40           H        GLN  40  -2.549   8.750   5.471
  226    HA   GLN  40           HA       GLN  40  -2.791  11.723   5.142
  227    HB2  GLN  40           HB2      GLN  40  -1.373   9.911   7.127
  228    HB3  GLN  40           HB3      GLN  40  -0.710  11.487   6.769
  229    HG2  GLN  40           HG2      GLN  40  -3.001  12.482   7.286
  230    HG3  GLN  40           HG3      GLN  40  -3.429  10.893   7.930
  231   HE21  GLN  40          HE21      GLN  40  -3.579  12.948   9.703
  232   HE22  GLN  40          HE22      GLN  40  -2.186  13.041  10.759
  233    H    ASP  41           H        ASP  41  -0.552   8.948   4.726
  234    HA   ASP  41           HA       ASP  41   0.978  10.388   2.647
  235    HB2  ASP  41           HB2      ASP  41   2.271   9.241   5.148
  236    HB3  ASP  41           HB3      ASP  41   3.131   9.798   3.789
  237    H    VAL  42           H        VAL  42   2.324   8.962   1.476
  238    HA   VAL  42           HA       VAL  42   2.364   6.070   2.090
  239    HB   VAL  42           HB       VAL  42   1.877   5.441  -0.197
  240   HG11  VAL  42          HG11      VAL  42   0.057   5.471   1.492
  241   HG12  VAL  42          HG12      VAL  42  -0.424   7.079   0.908
  242   HG13  VAL  42          HG13      VAL  42  -0.533   5.677  -0.162
  243   HG21  VAL  42          HG21      VAL  42   2.429   7.498  -1.452
  244   HG22  VAL  42          HG22      VAL  42   0.815   6.897  -1.838
  245   HG23  VAL  42          HG23      VAL  42   1.004   8.295  -0.755
  246    H    GLU  43           H        GLU  43   4.182   4.939   1.203
  247    HA   GLU  43           HA       GLU  43   5.872   6.292  -0.793
  248    HB2  GLU  43           HB2      GLU  43   6.835   6.809   1.370
  249    HB3  GLU  43           HB3      GLU  43   6.822   5.100   1.804
  250    HG2  GLU  43           HG2      GLU  43   8.907   5.704   1.171
  251    HG3  GLU  43           HG3      GLU  43   8.381   4.625  -0.096
  252    H    VAL  44           H        VAL  44   6.745   4.835  -2.245
  253    HA   VAL  44           HA       VAL  44   6.154   1.929  -1.830
  254    HB   VAL  44           HB       VAL  44   5.933   3.552  -4.338
  255   HG11  VAL  44          HG11      VAL  44   6.518   0.561  -4.250
  256   HG12  VAL  44          HG12      VAL  44   5.846   1.453  -5.640
  257   HG13  VAL  44          HG13      VAL  44   7.476   1.820  -5.071
  258   HG21  VAL  44          HG21      VAL  44   3.960   2.888  -2.920
  259   HG22  VAL  44          HG22      VAL  44   3.898   2.207  -4.559
  260   HG23  VAL  44          HG23      VAL  44   4.420   1.186  -3.215
  261    H    HIS  45           H        HIS  45   7.673   0.546  -1.841
  262    HA   HIS  45           HA       HIS  45  10.392   1.343  -2.801
  263    HB2  HIS  45           HB2      HIS  45   9.562  -0.484  -0.493
  264    HB3  HIS  45           HB3      HIS  45  11.191  -0.407  -1.157
  265    HD1  HIS  45           HD1      HIS  45  12.774   1.009   0.154
  266    HD2  HIS  45           HD2      HIS  45   8.770   2.257   0.467
  267    HE1  HIS  45           HE1      HIS  45  12.761   2.993   1.766
  268    H    LEU  46           H        LEU  46   9.911   0.692  -4.855
  269    HA   LEU  46           HA       LEU  46   8.993  -1.917  -5.652
  270    HB2  LEU  46           HB2      LEU  46   9.142   0.268  -6.969
  271    HB3  LEU  46           HB3      LEU  46  10.870   0.059  -7.058
  272    HG   LEU  46           HG       LEU  46   9.614  -0.535  -9.097
  273   HD11  LEU  46          HD11      LEU  46  10.960  -3.056  -8.143
  274   HD12  LEU  46          HD12      LEU  46  11.858  -1.567  -8.533
  275   HD13  LEU  46          HD13      LEU  46  10.873  -2.347  -9.763
  276   HD21  LEU  46          HD21      LEU  46   8.215  -2.446  -9.275
  277   HD22  LEU  46          HD22      LEU  46   7.637  -1.559  -7.862
  278   HD23  LEU  46          HD23      LEU  46   8.625  -3.010  -7.635
  279    H    GLU  47           H        GLU  47  12.105  -0.493  -4.811
  280    HA   GLU  47           HA       GLU  47  13.937  -2.581  -5.369
  281    HB2  GLU  47           HB2      GLU  47  13.811  -0.507  -3.148
  282    HB3  GLU  47           HB3      GLU  47  15.227  -1.522  -3.434
  283    HG2  GLU  47           HG2      GLU  47  15.737  -0.518  -5.493
  284    HG3  GLU  47           HG3      GLU  47  14.118   0.134  -5.717
  285    H    ASP  48           H        ASP  48  11.618  -2.414  -2.681
  286    HA   ASP  48           HA       ASP  48  12.642  -5.000  -1.662
  287    HB2  ASP  48           HB2      ASP  48  11.376  -2.549  -0.480
  288    HB3  ASP  48           HB3      ASP  48  10.750  -4.026   0.117
  289    H    GLN  49           H        GLN  49  10.298  -3.792  -3.736
  290    HA   GLN  49           HA       GLN  49   8.128  -4.098  -4.265
  291    HB2  GLN  49           HB2      GLN  49   8.318  -6.955  -3.309
  292    HB3  GLN  49           HB3      GLN  49   7.282  -6.257  -4.534
  293    HG2  GLN  49           HG2      GLN  49   9.059  -5.876  -6.078
  294    HG3  GLN  49           HG3      GLN  49  10.135  -6.630  -4.944
  295   HE21  GLN  49          HE21      GLN  49   7.606  -7.235  -7.197
  296   HE22  GLN  49          HE22      GLN  49   7.793  -8.989  -7.208
  297    H    MET  50           H        MET  50   8.589  -2.914  -1.851
  298    HA   MET  50           HA       MET  50   6.414  -3.908  -0.086
  299    HB2  MET  50           HB2      MET  50   8.575  -4.127   0.954
  300    HB3  MET  50           HB3      MET  50   8.958  -2.425   0.639
  301    HG2  MET  50           HG2      MET  50   7.506  -1.643   2.283
  302    HG3  MET  50           HG3      MET  50   6.528  -3.105   2.291
  303    HE1  MET  50           HE1      MET  50   6.735  -5.074   3.777
  304    HE2  MET  50           HE2      MET  50   8.106  -5.553   2.744
  305    HE3  MET  50           HE3      MET  50   8.263  -5.610   4.512
  306    H    VAL  51           H        VAL  51   5.094  -2.364   0.967
  307    HA   VAL  51           HA       VAL  51   5.060   0.399  -0.169
  308    HB   VAL  51           HB       VAL  51   2.498  -1.083   0.499
  309   HG11  VAL  51          HG11      VAL  51   1.610   0.542  -1.085
  310   HG12  VAL  51          HG12      VAL  51   2.555   1.410   0.137
  311   HG13  VAL  51          HG13      VAL  51   3.258   1.102  -1.464
  312   HG21  VAL  51          HG21      VAL  51   3.446  -2.553  -1.141
  313   HG22  VAL  51          HG22      VAL  51   2.204  -1.571  -1.921
  314   HG23  VAL  51          HG23      VAL  51   3.926  -1.189  -2.184
  315    H    LEU  52           H        LEU  52   4.804   1.990   1.266
  316    HA   LEU  52           HA       LEU  52   4.014   1.376   4.084
  317    HB2  LEU  52           HB2      LEU  52   5.670   3.650   2.914
  318    HB3  LEU  52           HB3      LEU  52   5.001   3.665   4.525
  319    HG   LEU  52           HG       LEU  52   6.292   1.288   4.685
  320   HD11  LEU  52          HD11      LEU  52   7.974   2.838   2.686
  321   HD12  LEU  52          HD12      LEU  52   7.133   1.306   2.351
  322   HD13  LEU  52          HD13      LEU  52   8.446   1.345   3.529
  323   HD21  LEU  52          HD21      LEU  52   8.219   2.444   5.667
  324   HD22  LEU  52          HD22      LEU  52   6.713   3.245   6.138
  325   HD23  LEU  52          HD23      LEU  52   7.731   3.956   4.870
  326    H    VAL  53           H        VAL  53   2.161   2.111   4.746
  327    HA   VAL  53           HA       VAL  53   0.756   4.281   3.267
  328    HB   VAL  53           HB       VAL  53  -0.534   1.659   4.110
  329   HG11  VAL  53          HG11      VAL  53  -2.491   2.531   2.891
  330   HG12  VAL  53          HG12      VAL  53  -2.032   3.660   4.169
  331   HG13  VAL  53          HG13      VAL  53  -1.607   4.015   2.485
  332   HG21  VAL  53          HG21      VAL  53   0.270   2.633   1.354
  333   HG22  VAL  53          HG22      VAL  53   0.818   1.164   2.186
  334   HG23  VAL  53          HG23      VAL  53  -0.860   1.290   1.658
  335    H    HIS  54           H        HIS  54   0.812   5.825   4.711
  336    HA   HIS  54           HA       HIS  54   0.546   5.368   7.594
  337    HB2  HIS  54           HB2      HIS  54   0.785   7.947   6.037
  338    HB3  HIS  54           HB3      HIS  54   1.018   7.779   7.732
  339    HD1  HIS  54           HD1      HIS  54   3.421   7.238   8.585
  340    HD2  HIS  54           HD2      HIS  54   2.816   6.495   4.503
  341    HE1  HIS  54           HE1      HIS  54   5.668   6.493   7.652
  342    H    THR  55           H        THR  55  -1.574   4.804   8.151
  343    HA   THR  55           HA       THR  55  -3.830   6.482   7.194
  344    HB   THR  55           HB       THR  55  -3.470   4.875   5.424
  345    HG1  THR  55           HG1      THR  55  -5.608   5.450   6.091
  346   HG21  THR  55          HG21      THR  55  -2.457   2.981   6.739
  347   HG22  THR  55          HG22      THR  55  -3.789   2.488   5.683
  348   HG23  THR  55          HG23      THR  55  -4.058   2.649   7.430
  349    H    THR  56           H        THR  56  -5.855   6.142   8.223
  350    HA   THR  56           HA       THR  56  -5.812   4.950  10.924
  351    HB   THR  56           HB       THR  56  -8.021   5.934  11.188
  352    HG1  THR  56           HG1      THR  56  -8.934   7.050   9.447
  353   HG21  THR  56          HG21      THR  56  -6.324   8.002   9.741
  354   HG22  THR  56          HG22      THR  56  -6.022   7.464  11.410
  355   HG23  THR  56          HG23      THR  56  -7.547   8.258  10.999
  356    H    LEU  57           H        LEU  57  -6.422   3.715   7.847
  357    HA   LEU  57           HA       LEU  57  -8.776   2.145   8.371
  358    HB2  LEU  57           HB2      LEU  57  -6.569   1.909   6.299
  359    HB3  LEU  57           HB3      LEU  57  -8.058   0.973   6.249
  360    HG   LEU  57           HG       LEU  57  -7.896   4.018   6.043
  361   HD11  LEU  57          HD11      LEU  57  -8.406   1.853   3.951
  362   HD12  LEU  57          HD12      LEU  57  -6.927   2.838   4.107
  363   HD13  LEU  57          HD13      LEU  57  -8.457   3.600   3.674
  364   HD21  LEU  57          HD21      LEU  57 -10.262   3.846   5.335
  365   HD22  LEU  57          HD22      LEU  57 -10.062   3.291   6.994
  366   HD23  LEU  57          HD23      LEU  57 -10.253   2.107   5.678
  367    HA   PRO  58           HA       PRO  58  -6.735  -1.550  10.094
  368    HB2  PRO  58           HB2      PRO  58  -8.932  -3.205   8.997
  369    HB3  PRO  58           HB3      PRO  58  -8.513  -2.933  10.707
  370    HG2  PRO  58           HG2      PRO  58 -10.791  -1.883   9.580
  371    HG3  PRO  58           HG3      PRO  58  -9.851  -0.965  10.802
  372    HD2  PRO  58           HD2      PRO  58  -9.615  -0.791   7.770
  373    HD3  PRO  58           HD3      PRO  58  -9.941   0.523   8.904
  374    H    SER  59           H        SER  59  -5.336  -3.080   9.094
  375    HA   SER  59           HA       SER  59  -4.826  -2.887   6.300
  376    HB2  SER  59           HB2      SER  59  -3.559  -5.110   6.687
  377    HB3  SER  59           HB3      SER  59  -2.985  -3.644   7.469
  378    HG   SER  59           HG       SER  59  -4.111  -5.955   8.503
  379    H    GLN  60           H        GLN  60  -7.255  -4.779   7.880
  380    HA   GLN  60           HA       GLN  60  -7.796  -6.741   5.890
  381    HB2  GLN  60           HB2      GLN  60  -9.751  -5.138   7.589
  382    HB3  GLN  60           HB3      GLN  60 -10.093  -6.672   6.788
  383    HG2  GLN  60           HG2      GLN  60  -8.496  -7.827   8.288
  384    HG3  GLN  60           HG3      GLN  60  -8.094  -6.291   9.069
  385   HE21  GLN  60          HE21      GLN  60  -8.848  -7.653  11.056
  386   HE22  GLN  60          HE22      GLN  60 -10.594  -7.684  11.325
  387    H    GLU  61           H        GLU  61  -8.644  -3.208   5.958
  388    HA   GLU  61           HA       GLU  61 -10.122  -3.449   3.391
  389    HB2  GLU  61           HB2      GLU  61  -9.281  -0.950   4.804
  390    HB3  GLU  61           HB3      GLU  61 -10.352  -1.125   3.405
  391    HG2  GLU  61           HG2      GLU  61 -10.758  -1.986   6.230
  392    HG3  GLU  61           HG3      GLU  61 -11.701  -0.862   5.213
  393    H    VAL  62           H        VAL  62  -6.995  -2.096   4.622
  394    HA   VAL  62           HA       VAL  62  -6.255  -0.995   2.144
  395    HB   VAL  62           HB       VAL  62  -4.247  -1.967   4.192
  396   HG11  VAL  62          HG11      VAL  62  -3.414  -0.935   2.074
  397   HG12  VAL  62          HG12      VAL  62  -4.390   0.505   2.417
  398   HG13  VAL  62          HG13      VAL  62  -3.033   0.066   3.483
  399   HG21  VAL  62          HG21      VAL  62  -5.977   0.509   4.410
  400   HG22  VAL  62          HG22      VAL  62  -5.829  -0.828   5.577
  401   HG23  VAL  62          HG23      VAL  62  -4.474   0.239   5.328
  402    H    GLN  63           H        GLN  63  -5.622  -4.298   3.428
  403    HA   GLN  63           HA       GLN  63  -4.039  -5.251   1.251
  404    HB2  GLN  63           HB2      GLN  63  -4.398  -6.482   3.346
  405    HB3  GLN  63           HB3      GLN  63  -6.112  -6.637   3.007
  406    HG2  GLN  63           HG2      GLN  63  -5.644  -8.043   1.038
  407    HG3  GLN  63           HG3      GLN  63  -3.898  -7.768   1.258
  408   HE21  GLN  63          HE21      GLN  63  -3.345  -9.980   1.551
  409   HE22  GLN  63          HE22      GLN  63  -3.831 -10.839   3.025
  410    H    ALA  64           H        ALA  64  -7.599  -4.847   1.535
  411    HA   ALA  64           HA       ALA  64  -8.061  -6.252  -0.955
  412    HB1  ALA  64           HB1      ALA  64  -9.699  -6.291   0.932
  413    HB2  ALA  64           HB2      ALA  64  -9.894  -4.528   0.850
  414    HB3  ALA  64           HB3      ALA  64 -10.445  -5.548  -0.496
  415    H    LEU  65           H        LEU  65  -7.649  -2.911   0.115
  416    HA   LEU  65           HA       LEU  65  -8.399  -1.558  -2.279
  417    HB2  LEU  65           HB2      LEU  65  -6.807  -0.818   0.144
  418    HB3  LEU  65           HB3      LEU  65  -7.037   0.302  -1.177
  419    HG   LEU  65           HG       LEU  65  -9.428  -1.076   0.137
  420   HD11  LEU  65          HD11      LEU  65  -9.725   0.922   1.539
  421   HD12  LEU  65          HD12      LEU  65  -8.152   1.548   0.983
  422   HD13  LEU  65          HD13      LEU  65  -8.255   0.050   1.947
  423   HD21  LEU  65          HD21      LEU  65 -10.640   0.902  -0.685
  424   HD22  LEU  65          HD22      LEU  65  -9.848   0.051  -2.017
  425   HD23  LEU  65          HD23      LEU  65  -9.136   1.551  -1.374
  426    H    LEU  66           H        LEU  66  -5.280  -2.592  -0.981
  427    HA   LEU  66           HA       LEU  66  -3.582  -1.992  -3.207
  428    HB2  LEU  66           HB2      LEU  66  -3.471  -4.058  -0.973
  429    HB3  LEU  66           HB3      LEU  66  -2.161  -3.832  -2.119
  430    HG   LEU  66           HG       LEU  66  -3.154  -1.457  -0.509
  431   HD11  LEU  66          HD11      LEU  66  -1.126  -3.536   0.420
  432   HD12  LEU  66          HD12      LEU  66  -2.689  -3.170   1.190
  433   HD13  LEU  66          HD13      LEU  66  -1.423  -1.956   1.182
  434   HD21  LEU  66          HD21      LEU  66  -0.452  -2.217  -1.688
  435   HD22  LEU  66          HD22      LEU  66  -0.813  -0.734  -0.793
  436   HD23  LEU  66          HD23      LEU  66  -1.590  -1.027  -2.359
  437    H    GLU  67           H        GLU  67  -5.330  -5.066  -2.381
  438    HA   GLU  67           HA       GLU  67  -4.702  -6.494  -4.743
  439    HB2  GLU  67           HB2      GLU  67  -6.852  -6.556  -2.656
  440    HB3  GLU  67           HB3      GLU  67  -7.201  -7.423  -4.092
  441    HG2  GLU  67           HG2      GLU  67  -4.476  -8.088  -3.241
  442    HG3  GLU  67           HG3      GLU  67  -5.579  -8.255  -1.889
  443    H    GLY  68           H        GLY  68  -6.952  -3.836  -4.372
  444    HA2  GLY  68           HA2      GLY  68  -8.420  -4.065  -6.828
  445    HA3  GLY  68           HA3      GLY  68  -8.124  -2.596  -5.894
  446    H    THR  69           H        THR  69  -5.065  -3.331  -6.326
  447    HA   THR  69           HA       THR  69  -4.746  -1.961  -8.924
  448    HB   THR  69           HB       THR  69  -2.368  -1.855  -8.437
  449    HG1  THR  69           HG1      THR  69  -2.929  -3.298  -6.076
  450   HG21  THR  69          HG21      THR  69  -2.452  -0.406  -6.550
  451   HG22  THR  69          HG22      THR  69  -3.990  -1.094  -5.989
  452   HG23  THR  69          HG23      THR  69  -3.899  -0.194  -7.523
  453    H    GLY  70           H        GLY  70  -5.507  -5.048  -8.294
  454    HA2  GLY  70           HA2      GLY  70  -5.635  -6.812  -9.769
  455    HA3  GLY  70           HA3      GLY  70  -4.604  -5.942 -10.913
  456    H    ARG  71           H        ARG  71  -3.567  -6.572  -7.613
  457    HA   ARG  71           HA       ARG  71  -1.498  -8.541  -8.447
  458    HB2  ARG  71           HB2      ARG  71  -1.218  -5.888  -6.931
  459    HB3  ARG  71           HB3      ARG  71   0.091  -7.055  -7.174
  460    HG2  ARG  71           HG2      ARG  71   0.021  -6.756  -9.564
  461    HG3  ARG  71           HG3      ARG  71  -1.401  -5.721  -9.485
  462    HD2  ARG  71           HD2      ARG  71  -0.214  -4.004  -8.247
  463    HD3  ARG  71           HD3      ARG  71   1.248  -4.968  -8.264
  464    HE   ARG  71           HE       ARG  71   0.123  -3.386 -10.451
  465   HH11  ARG  71          HH11      ARG  71   2.177  -6.254  -9.966
  466   HH12  ARG  71          HH12      ARG  71   2.503  -6.341 -11.678
  467   HH21  ARG  71          HH21      ARG  71   0.723  -3.605 -12.602
  468   HH22  ARG  71          HH22      ARG  71   1.824  -4.898 -13.020
  469    H    GLN  72           H        GLN  72  -0.514  -9.609  -6.643
  470    HA   GLN  72           HA       GLN  72  -2.179 -10.022  -4.288
  471    HB2  GLN  72           HB2      GLN  72   0.456 -11.056  -5.228
  472    HB3  GLN  72           HB3      GLN  72   0.228 -11.036  -3.502
  473    HG2  GLN  72           HG2      GLN  72  -1.733 -12.397  -5.385
  474    HG3  GLN  72           HG3      GLN  72  -0.374 -13.214  -4.604
  475   HE21  GLN  72          HE21      GLN  72  -3.551 -11.797  -4.073
  476   HE22  GLN  72          HE22      GLN  72  -3.644 -12.125  -2.345
  477    H    ALA  73           H        ALA  73  -1.741  -9.552  -2.297
  478    HA   ALA  73           HA       ALA  73   0.167  -7.471  -1.396
  479    HB1  ALA  73           HB1      ALA  73  -1.645  -6.044  -0.529
  480    HB2  ALA  73           HB2      ALA  73  -1.769  -6.195  -2.296
  481    HB3  ALA  73           HB3      ALA  73  -2.869  -7.113  -1.248
  482    H    VAL  74           H        VAL  74   0.952  -8.181   0.456
  483    HA   VAL  74           HA       VAL  74  -0.707  -9.720   2.414
  484    HB   VAL  74           HB       VAL  74   2.000 -10.534   1.286
  485   HG11  VAL  74          HG11      VAL  74   0.418 -11.740   3.605
  486   HG12  VAL  74          HG12      VAL  74   1.839 -12.482   2.841
  487   HG13  VAL  74          HG13      VAL  74   2.012 -10.957   3.710
  488   HG21  VAL  74          HG21      VAL  74  -0.723 -11.899   1.293
  489   HG22  VAL  74          HG22      VAL  74   0.138 -11.268  -0.129
  490   HG23  VAL  74          HG23      VAL  74   0.790 -12.657   0.738
  491    H    LEU  75           H        LEU  75  -0.489  -8.866   4.377
  492    HA   LEU  75           HA       LEU  75   1.394  -6.710   4.799
  493    HB2  LEU  75           HB2      LEU  75  -0.892  -6.730   5.585
  494    HB3  LEU  75           HB3      LEU  75  -0.486  -7.921   6.778
  495    HG   LEU  75           HG       LEU  75   0.953  -6.389   7.999
  496   HD11  LEU  75          HD11      LEU  75   1.385  -4.046   7.189
  497   HD12  LEU  75          HD12      LEU  75   0.684  -4.473   5.631
  498   HD13  LEU  75          HD13      LEU  75   2.187  -5.222   6.159
  499   HD21  LEU  75          HD21      LEU  75  -1.174  -4.828   6.598
  500   HD22  LEU  75          HD22      LEU  75  -0.518  -4.425   8.229
  501   HD23  LEU  75          HD23      LEU  75  -1.484  -5.921   7.998
  502    H    LYS  76           H        LYS  76   3.119  -6.585   6.021
  503    HA   LYS  76           HA       LYS  76   4.275  -9.077   7.168
  504    HB2  LYS  76           HB2      LYS  76   5.698  -6.683   5.945
  505    HB3  LYS  76           HB3      LYS  76   6.491  -8.030   6.742
  506    HG2  LYS  76           HG2      LYS  76   4.842  -8.145   4.181
  507    HG3  LYS  76           HG3      LYS  76   6.595  -8.309   4.330
  508    HD2  LYS  76           HD2      LYS  76   6.245 -10.388   5.700
  509    HD3  LYS  76           HD3      LYS  76   4.496 -10.235   5.403
  510    HE2  LYS  76           HE2      LYS  76   4.840 -10.421   2.996
  511    HE3  LYS  76           HE3      LYS  76   6.591 -10.560   3.244
  512    HZ1  LYS  76           HZ1      LYS  76   5.487 -12.765   3.034
  513    HZ2  LYS  76           HZ2      LYS  76   4.604 -12.450   4.395
  514    HZ3  LYS  76           HZ3      LYS  76   6.228 -12.586   4.483
  515    H    GLY  77           H        GLY  77   3.701  -5.669   7.872
  516    HA2  GLY  77           HA2      GLY  77   2.758  -6.063  10.366
  517    HA3  GLY  77           HA3      GLY  77   4.497  -5.889  10.659
  518    H    MET  78           H        MET  78   3.712  -3.989  11.881
  519    HA   MET  78           HA       MET  78   3.003  -1.647  10.262
  520    HB2  MET  78           HB2      MET  78   2.779  -2.268  13.223
  521    HB3  MET  78           HB3      MET  78   2.580  -0.656  12.547
  522    HG2  MET  78           HG2      MET  78   0.386  -1.484  12.626
  523    HG3  MET  78           HG3      MET  78   0.869  -1.614  10.947
  524    HE1  MET  78           HE1      MET  78  -1.125  -3.130  10.346
  525    HE2  MET  78           HE2      MET  78  -1.605  -4.577  11.261
  526    HE3  MET  78           HE3      MET  78  -1.716  -2.969  12.014
  527    H    GLY  79           H        GLY  79   3.990   0.279  10.461
  528    HA2  GLY  79           HA2      GLY  79   6.909   0.104  10.363
  529    HA3  GLY  79           HA3      GLY  79   5.916   1.453   9.840
  Start of MODEL    3
    1    H    GLY   9           H        GLY   9 -10.493   4.000  11.084
    2    HA2  GLY   9           HA2      GLY   9 -10.460   3.798  14.022
    3    HA3  GLY   9           HA3      GLY   9  -9.296   3.119  12.896
    4    H    THR  10           H        THR  10  -7.378   3.834  13.533
    5    HA   THR  10           HA       THR  10  -6.877   6.737  13.716
    6    HB   THR  10           HB       THR  10  -7.148   5.953  15.976
    7    HG1  THR  10           HG1      THR  10  -5.766   7.357  16.369
    8   HG21  THR  10          HG21      THR  10  -4.704   4.195  15.487
    9   HG22  THR  10          HG22      THR  10  -6.358   3.609  15.777
   10   HG23  THR  10          HG23      THR  10  -5.494   4.489  17.049
   11    H    LEU  11           H        LEU  11  -4.897   7.451  13.221
   12    HA   LEU  11           HA       LEU  11  -3.830   6.210  10.938
   13    HB2  LEU  11           HB2      LEU  11  -3.879   8.753  11.846
   14    HB3  LEU  11           HB3      LEU  11  -2.266   8.306  12.369
   15    HG   LEU  11           HG       LEU  11  -2.279   9.605  10.330
   16   HD11  LEU  11          HD11      LEU  11  -0.458   7.920  10.713
   17   HD12  LEU  11          HD12      LEU  11  -0.738   8.430   9.045
   18   HD13  LEU  11          HD13      LEU  11  -1.317   6.836   9.587
   19   HD21  LEU  11          HD21      LEU  11  -4.319   8.992   9.279
   20   HD22  LEU  11          HD22      LEU  11  -3.840   7.295   9.156
   21   HD23  LEU  11          HD23      LEU  11  -3.011   8.489   8.182
   22    H    CYS  12           H        CYS  12  -2.256   4.971  10.522
   23    HA   CYS  12           HA       CYS  12  -0.048   4.270  12.379
   24    HB2  CYS  12           HB2      CYS  12  -2.154   2.338  11.303
   25    HB3  CYS  12           HB3      CYS  12  -0.656   1.835  12.102
   26    HG   CYS  12           HG       CYS  12  -3.234   3.554  13.259
   27    H    THR  13           H        THR  13   1.807   3.647  11.262
   28    HA   THR  13           HA       THR  13   1.923   3.436   8.326
   29    HB   THR  13           HB       THR  13   3.970   2.575  10.414
   30    HG1  THR  13           HG1      THR  13   4.756   4.542  10.355
   31   HG21  THR  13          HG21      THR  13   5.597   3.024   8.590
   32   HG22  THR  13          HG22      THR  13   4.254   3.376   7.482
   33   HG23  THR  13          HG23      THR  13   4.469   1.735   8.138
   34    H    LEU  14           H        LEU  14   1.103   1.713   7.295
   35    HA   LEU  14           HA       LEU  14   1.576  -1.041   8.394
   36    HB2  LEU  14           HB2      LEU  14  -0.382   0.136   6.419
   37    HB3  LEU  14           HB3      LEU  14   0.019  -1.578   6.408
   38    HG   LEU  14           HG       LEU  14  -0.970  -2.032   8.461
   39   HD11  LEU  14          HD11      LEU  14  -0.154  -0.263   9.877
   40   HD12  LEU  14          HD12      LEU  14  -1.903  -0.368  10.011
   41   HD13  LEU  14          HD13      LEU  14  -1.182   0.938   9.044
   42   HD21  LEU  14          HD21      LEU  14  -2.585  -1.589   6.651
   43   HD22  LEU  14          HD22      LEU  14  -2.655   0.128   7.121
   44   HD23  LEU  14          HD23      LEU  14  -3.268  -1.116   8.216
   45    H    GLU  15           H        GLU  15   3.080  -2.275   7.528
   46    HA   GLU  15           HA       GLU  15   4.506  -1.424   5.050
   47    HB2  GLU  15           HB2      GLU  15   5.291  -3.373   7.261
   48    HB3  GLU  15           HB3      GLU  15   6.288  -2.900   5.877
   49    HG2  GLU  15           HG2      GLU  15   6.193  -0.544   6.635
   50    HG3  GLU  15           HG3      GLU  15   5.301  -1.033   8.086
   51    H    PHE  16           H        PHE  16   3.604  -2.332   3.269
   52    HA   PHE  16           HA       PHE  16   2.699  -5.197   3.409
   53    HB2  PHE  16           HB2      PHE  16   1.941  -2.928   1.553
   54    HB3  PHE  16           HB3      PHE  16   1.552  -4.607   1.226
   55    HD1  PHE  16           HD1      PHE  16  -0.079  -5.877   2.565
   56    HD2  PHE  16           HD2      PHE  16   0.766  -1.719   3.369
   57    HE1  PHE  16           HE1      PHE  16  -2.261  -5.651   3.708
   58    HE2  PHE  16           HE2      PHE  16  -1.387  -1.532   4.594
   59    HZ   PHE  16           HZ       PHE  16  -2.874  -3.530   4.806
   60    H    ALA  17           H        ALA  17   3.441  -6.739   2.145
   61    HA   ALA  17           HA       ALA  17   5.554  -6.192   0.115
   62    HB1  ALA  17           HB1      ALA  17   4.621  -8.769   1.450
   63    HB2  ALA  17           HB2      ALA  17   5.936  -8.622   0.251
   64    HB3  ALA  17           HB3      ALA  17   6.094  -7.849   1.837
   65    H    VAL  18           H        VAL  18   4.909  -6.104  -1.947
   66    HA   VAL  18           HA       VAL  18   2.361  -7.376  -2.852
   67    HB   VAL  18           HB       VAL  18   1.847  -5.274  -4.130
   68   HG11  VAL  18          HG11      VAL  18   0.688  -5.709  -1.979
   69   HG12  VAL  18          HG12      VAL  18   1.965  -4.833  -1.110
   70   HG13  VAL  18          HG13      VAL  18   0.918  -3.987  -2.263
   71   HG21  VAL  18          HG21      VAL  18   4.040  -4.223  -4.114
   72   HG22  VAL  18          HG22      VAL  18   2.803  -3.187  -3.369
   73   HG23  VAL  18          HG23      VAL  18   3.972  -4.069  -2.351
   74    H    GLN  19           H        GLN  19   2.328  -8.053  -4.972
   75    HA   GLN  19           HA       GLN  19   5.007  -8.509  -6.063
   76    HB2  GLN  19           HB2      GLN  19   2.211  -9.377  -6.884
   77    HB3  GLN  19           HB3      GLN  19   3.658  -9.839  -7.775
   78    HG2  GLN  19           HG2      GLN  19   3.244 -10.445  -4.806
   79    HG3  GLN  19           HG3      GLN  19   2.853 -11.555  -6.117
   80   HE21  GLN  19          HE21      GLN  19   4.648 -12.203  -7.601
   81   HE22  GLN  19          HE22      GLN  19   6.287 -12.262  -6.947
   82    H    MET  20           H        MET  20   5.771  -6.422  -6.717
   83    HA   MET  20           HA       MET  20   5.096  -5.951  -9.554
   84    HB2  MET  20           HB2      MET  20   5.276  -3.464  -9.192
   85    HB3  MET  20           HB3      MET  20   3.781  -4.208  -8.620
   86    HG2  MET  20           HG2      MET  20   4.439  -4.052  -6.347
   87    HG3  MET  20           HG3      MET  20   6.114  -3.677  -6.759
   88    HE1  MET  20           HE1      MET  20   4.708  -0.526  -4.875
   89    HE2  MET  20           HE2      MET  20   3.839  -2.054  -4.787
   90    HE3  MET  20           HE3      MET  20   5.623  -2.083  -4.764
   91    H    THR  21           H        THR  21   6.793  -5.224 -10.829
   92    HA   THR  21           HA       THR  21   9.410  -4.634  -9.586
   93    HB   THR  21           HB       THR  21   9.054  -7.109  -9.695
   94    HG1  THR  21           HG1      THR  21  11.082  -6.135  -9.542
   95   HG21  THR  21          HG21      THR  21   7.989  -7.250 -11.932
   96   HG22  THR  21          HG22      THR  21   9.405  -8.295 -11.762
   97   HG23  THR  21          HG23      THR  21   9.535  -6.776 -12.674
   98    H    CYS  22           H        CYS  22   7.319  -3.873 -12.160
   99    HA   CYS  22           HA       CYS  22   9.574  -2.336 -13.329
  100    HB2  CYS  22           HB2      CYS  22   9.048  -2.728 -15.465
  101    HB3  CYS  22           HB3      CYS  22   8.679  -4.273 -14.726
  102    H    GLN  23           H        GLN  23   8.967  -0.317 -14.463
  103    HA   GLN  23           HA       GLN  23   8.231   1.365 -12.332
  104    HB2  GLN  23           HB2      GLN  23   8.597   2.104 -15.251
  105    HB3  GLN  23           HB3      GLN  23   8.586   3.224 -13.891
  106    HG2  GLN  23           HG2      GLN  23  10.650   1.056 -14.428
  107    HG3  GLN  23           HG3      GLN  23  10.885   2.798 -14.492
  108   HE21  GLN  23          HE21      GLN  23  11.266   0.072 -12.472
  109   HE22  GLN  23          HE22      GLN  23  11.300   0.956 -10.929
  110    H    SER  24           H        SER  24   6.156   0.244 -14.890
  111    HA   SER  24           HA       SER  24   4.067   2.239 -14.545
  112    HB2  SER  24           HB2      SER  24   3.977  -0.498 -15.876
  113    HB3  SER  24           HB3      SER  24   2.805   0.816 -16.071
  114    HG   SER  24           HG       SER  24   5.468   0.575 -16.959
  115    H    CYS  25           H        CYS  25   4.817  -0.670 -12.770
  116    HA   CYS  25           HA       CYS  25   2.095  -0.994 -11.698
  117    HB2  CYS  25           HB2      CYS  25   4.773  -2.257 -11.036
  118    HB3  CYS  25           HB3      CYS  25   3.206  -2.693 -10.345
  119    H    VAL  26           H        VAL  26   5.280   0.185 -10.582
  120    HA   VAL  26           HA       VAL  26   4.879   1.099  -8.019
  121    HB   VAL  26           HB       VAL  26   6.318   2.957  -9.943
  122   HG11  VAL  26          HG11      VAL  26   8.030   2.926  -8.252
  123   HG12  VAL  26          HG12      VAL  26   6.480   3.213  -7.424
  124   HG13  VAL  26          HG13      VAL  26   7.243   1.594  -7.400
  125   HG21  VAL  26          HG21      VAL  26   8.218   1.463 -10.033
  126   HG22  VAL  26          HG22      VAL  26   7.185   0.160  -9.348
  127   HG23  VAL  26          HG23      VAL  26   6.797   0.885 -10.913
  128    H    ASP  27           H        ASP  27   4.290   3.095 -10.952
  129    HA   ASP  27           HA       ASP  27   3.064   5.273  -9.613
  130    HB2  ASP  27           HB2      ASP  27   3.968   4.888 -12.092
  131    HB3  ASP  27           HB3      ASP  27   2.313   4.452 -12.428
  132    H    ALA  28           H        ALA  28   1.721   2.235 -10.796
  133    HA   ALA  28           HA       ALA  28  -1.062   3.165 -10.712
  134    HB1  ALA  28           HB1      ALA  28   0.080   0.352 -10.985
  135    HB2  ALA  28           HB2      ALA  28  -1.609   0.833 -11.243
  136    HB3  ALA  28           HB3      ALA  28  -0.340   1.461 -12.312
  137    H    VAL  29           H        VAL  29   0.936   0.982  -8.583
  138    HA   VAL  29           HA       VAL  29  -1.165   0.754  -6.688
  139    HB   VAL  29           HB       VAL  29   1.771   0.386  -6.016
  140   HG11  VAL  29          HG11      VAL  29  -0.025   0.239  -4.230
  141   HG12  VAL  29          HG12      VAL  29  -0.823  -1.011  -5.227
  142   HG13  VAL  29          HG13      VAL  29   0.779  -1.320  -4.505
  143   HG21  VAL  29          HG21      VAL  29   1.485  -2.017  -6.615
  144   HG22  VAL  29          HG22      VAL  29  -0.097  -1.643  -7.340
  145   HG23  VAL  29          HG23      VAL  29   1.392  -1.020  -8.045
  146    H    ARG  30           H        ARG  30   1.442   3.199  -7.071
  147    HA   ARG  30           HA       ARG  30   1.005   4.598  -4.559
  148    HB2  ARG  30           HB2      ARG  30   1.950   5.425  -7.375
  149    HB3  ARG  30           HB3      ARG  30   1.808   6.593  -6.083
  150    HG2  ARG  30           HG2      ARG  30   3.493   5.610  -4.774
  151    HG3  ARG  30           HG3      ARG  30   3.482   4.107  -5.702
  152    HD2  ARG  30           HD2      ARG  30   4.659   5.008  -7.520
  153    HD3  ARG  30           HD3      ARG  30   4.232   6.680  -7.087
  154    HE   ARG  30           HE       ARG  30   5.737   5.785  -4.931
  155   HH11  ARG  30          HH11      ARG  30   6.401   6.230  -8.358
  156   HH12  ARG  30          HH12      ARG  30   8.092   6.482  -8.057
  157   HH21  ARG  30          HH21      ARG  30   7.792   6.163  -4.631
  158   HH22  ARG  30          HH22      ARG  30   8.927   6.268  -5.954
  159    H    LYS  31           H        LYS  31  -0.558   4.863  -7.781
  160    HA   LYS  31           HA       LYS  31  -2.244   7.056  -6.962
  161    HB2  LYS  31           HB2      LYS  31  -2.081   5.338  -9.440
  162    HB3  LYS  31           HB3      LYS  31  -3.323   6.605  -9.214
  163    HG2  LYS  31           HG2      LYS  31  -1.705   8.267  -8.722
  164    HG3  LYS  31           HG3      LYS  31  -0.362   7.104  -8.696
  165    HD2  LYS  31           HD2      LYS  31  -0.544   6.830 -11.123
  166    HD3  LYS  31           HD3      LYS  31  -1.919   7.989 -11.155
  167    HE2  LYS  31           HE2      LYS  31  -0.553   9.688 -10.026
  168    HE3  LYS  31           HE3      LYS  31   0.778   8.554  -9.848
  169    HZ1  LYS  31           HZ1      LYS  31   1.097   8.516 -12.233
  170    HZ2  LYS  31           HZ2      LYS  31   1.041  10.107 -11.805
  171    HZ3  LYS  31           HZ3      LYS  31  -0.255   9.418 -12.505
  172    H    SER  32           H        SER  32  -2.727   3.621  -6.768
  173    HA   SER  32           HA       SER  32  -5.510   3.874  -5.936
  174    HB2  SER  32           HB2      SER  32  -4.376   1.793  -6.858
  175    HB3  SER  32           HB3      SER  32  -3.628   1.609  -5.253
  176    HG   SER  32           HG       SER  32  -5.812   1.764  -4.417
  177    H    LEU  33           H        LEU  33  -2.807   5.088  -4.440
  178    HA   LEU  33           HA       LEU  33  -4.084   4.991  -1.730
  179    HB2  LEU  33           HB2      LEU  33  -1.209   5.732  -2.314
  180    HB3  LEU  33           HB3      LEU  33  -1.945   5.347  -0.762
  181    HG   LEU  33           HG       LEU  33  -1.588   3.295  -2.957
  182   HD11  LEU  33          HD11      LEU  33   0.308   3.758  -0.641
  183   HD12  LEU  33          HD12      LEU  33   0.627   4.248  -2.320
  184   HD13  LEU  33          HD13      LEU  33   0.433   2.535  -1.922
  185   HD21  LEU  33          HD21      LEU  33  -1.725   1.680  -1.214
  186   HD22  LEU  33          HD22      LEU  33  -3.181   2.694  -1.213
  187   HD23  LEU  33          HD23      LEU  33  -1.911   2.949   0.023
  188    H    GLN  34           H        GLN  34  -2.558   7.021  -4.227
  189    HA   GLN  34           HA       GLN  34  -2.526   9.471  -2.841
  190    HB2  GLN  34           HB2      GLN  34  -2.486   8.604  -5.703
  191    HB3  GLN  34           HB3      GLN  34  -2.623  10.299  -5.452
  192    HG2  GLN  34           HG2      GLN  34  -0.560  10.428  -4.211
  193    HG3  GLN  34           HG3      GLN  34  -0.461   8.679  -4.082
  194   HE21  GLN  34          HE21      GLN  34   1.795   9.103  -5.062
  195   HE22  GLN  34          HE22      GLN  34   1.824   9.042  -6.834
  196    H    GLY  35           H        GLY  35  -3.850  10.860  -2.301
  197    HA2  GLY  35           HA2      GLY  35  -5.787  12.077  -1.913
  198    HA3  GLY  35           HA3      GLY  35  -6.359  11.568  -3.502
  199    H    VAL  36           H        VAL  36  -5.776   8.836  -1.395
  200    HA   VAL  36           HA       VAL  36  -8.626   8.264  -1.445
  201    HB   VAL  36           HB       VAL  36  -6.262   6.675  -0.403
  202   HG11  VAL  36          HG11      VAL  36  -8.236   5.974   0.860
  203   HG12  VAL  36          HG12      VAL  36  -9.190   5.861  -0.642
  204   HG13  VAL  36          HG13      VAL  36  -7.834   4.751  -0.345
  205   HG21  VAL  36          HG21      VAL  36  -8.046   6.349  -2.865
  206   HG22  VAL  36          HG22      VAL  36  -6.373   6.933  -2.886
  207   HG23  VAL  36          HG23      VAL  36  -6.719   5.273  -2.390
  208    H    ALA  37           H        ALA  37 -10.001   8.550   0.061
  209    HA   ALA  37           HA       ALA  37  -9.557  10.035   2.443
  210    HB1  ALA  37           HB1      ALA  37 -11.884   8.228   1.683
  211    HB2  ALA  37           HB2      ALA  37 -11.894   9.434   2.990
  212    HB3  ALA  37           HB3      ALA  37 -11.716   9.956   1.304
  213    H    GLY  38           H        GLY  38  -8.545   9.484   4.212
  214    HA2  GLY  38           HA2      GLY  38  -8.308   8.206   6.244
  215    HA3  GLY  38           HA3      GLY  38  -8.670   6.724   5.361
  216    H    VAL  39           H        VAL  39  -6.602   8.382   3.304
  217    HA   VAL  39           HA       VAL  39  -4.119   7.218   4.508
  218    HB   VAL  39           HB       VAL  39  -4.770   8.010   1.653
  219   HG11  VAL  39          HG11      VAL  39  -2.594   6.923   1.098
  220   HG12  VAL  39          HG12      VAL  39  -2.368   8.360   2.086
  221   HG13  VAL  39          HG13      VAL  39  -2.241   6.748   2.833
  222   HG21  VAL  39          HG21      VAL  39  -4.560   5.585   1.185
  223   HG22  VAL  39          HG22      VAL  39  -4.342   5.263   2.919
  224   HG23  VAL  39          HG23      VAL  39  -5.882   5.908   2.307
  225    H    GLN  40           H        GLN  40  -2.558   8.547   5.244
  226    HA   GLN  40           HA       GLN  40  -2.786  11.478   4.731
  227    HB2  GLN  40           HB2      GLN  40  -1.586   9.822   6.975
  228    HB3  GLN  40           HB3      GLN  40  -1.272  11.529   6.782
  229    HG2  GLN  40           HG2      GLN  40  -4.058  10.324   7.115
  230    HG3  GLN  40           HG3      GLN  40  -3.103  11.053   8.407
  231   HE21  GLN  40          HE21      GLN  40  -2.811  13.343   8.447
  232   HE22  GLN  40          HE22      GLN  40  -3.866  14.386   7.482
  233    H    ASP  41           H        ASP  41  -0.394   8.802   4.744
  234    HA   ASP  41           HA       ASP  41   1.289  10.308   2.864
  235    HB2  ASP  41           HB2      ASP  41   2.378   9.250   5.501
  236    HB3  ASP  41           HB3      ASP  41   3.353   9.796   4.193
  237    H    VAL  42           H        VAL  42   2.874   8.928   1.876
  238    HA   VAL  42           HA       VAL  42   2.755   6.006   2.288
  239    HB   VAL  42           HB       VAL  42   2.440   5.507  -0.023
  240   HG11  VAL  42          HG11      VAL  42   0.176   7.316   0.889
  241   HG12  VAL  42          HG12      VAL  42   0.094   6.052  -0.327
  242   HG13  VAL  42          HG13      VAL  42   0.414   5.615   1.361
  243   HG21  VAL  42          HG21      VAL  42   3.313   7.505  -1.162
  244   HG22  VAL  42          HG22      VAL  42   1.716   7.062  -1.751
  245   HG23  VAL  42          HG23      VAL  42   1.892   8.425  -0.622
  246    H    GLU  43           H        GLU  43   4.500   4.834   1.294
  247    HA   GLU  43           HA       GLU  43   6.455   6.295  -0.319
  248    HB2  GLU  43           HB2      GLU  43   7.317   6.725   1.945
  249    HB3  GLU  43           HB3      GLU  43   7.371   5.005   2.291
  250    HG2  GLU  43           HG2      GLU  43   9.099   4.660   0.615
  251    HG3  GLU  43           HG3      GLU  43   8.866   6.282  -0.031
  252    H    VAL  44           H        VAL  44   6.829   5.012  -2.047
  253    HA   VAL  44           HA       VAL  44   6.483   2.062  -1.745
  254    HB   VAL  44           HB       VAL  44   6.193   3.889  -4.139
  255   HG11  VAL  44          HG11      VAL  44   5.896   1.831  -5.507
  256   HG12  VAL  44          HG12      VAL  44   7.580   2.099  -5.037
  257   HG13  VAL  44          HG13      VAL  44   6.605   0.862  -4.197
  258   HG21  VAL  44          HG21      VAL  44   4.261   3.350  -2.683
  259   HG22  VAL  44          HG22      VAL  44   4.085   2.604  -4.290
  260   HG23  VAL  44          HG23      VAL  44   4.620   1.624  -2.937
  261    H    HIS  45           H        HIS  45   7.984   0.632  -1.971
  262    HA   HIS  45           HA       HIS  45  10.659   1.428  -3.047
  263    HB2  HIS  45           HB2      HIS  45   9.903  -0.491  -0.835
  264    HB3  HIS  45           HB3      HIS  45  11.508  -0.427  -1.581
  265    HD1  HIS  45           HD1      HIS  45  13.230   1.030  -0.442
  266    HD2  HIS  45           HD2      HIS  45   9.248   1.955   0.575
  267    HE1  HIS  45           HE1      HIS  45  13.355   2.843   1.348
  268    H    LEU  46           H        LEU  46  10.366   0.740  -5.145
  269    HA   LEU  46           HA       LEU  46   9.011  -1.702  -5.906
  270    HB2  LEU  46           HB2      LEU  46   9.328   0.435  -7.208
  271    HB3  LEU  46           HB3      LEU  46  11.014   0.068  -7.401
  272    HG   LEU  46           HG       LEU  46   9.462  -0.361  -9.345
  273   HD11  LEU  46          HD11      LEU  46  11.775  -1.247  -9.146
  274   HD12  LEU  46          HD12      LEU  46  10.684  -2.131 -10.216
  275   HD13  LEU  46          HD13      LEU  46  11.080  -2.789  -8.617
  276   HD21  LEU  46          HD21      LEU  46   8.182  -2.368  -9.489
  277   HD22  LEU  46          HD22      LEU  46   7.680  -1.572  -7.989
  278   HD23  LEU  46          HD23      LEU  46   8.780  -2.958  -7.922
  279    H    GLU  47           H        GLU  47  12.322  -0.777  -5.247
  280    HA   GLU  47           HA       GLU  47  13.622  -3.255  -5.996
  281    HB2  GLU  47           HB2      GLU  47  14.331  -0.739  -4.505
  282    HB3  GLU  47           HB3      GLU  47  15.305  -2.166  -4.170
  283    HG2  GLU  47           HG2      GLU  47  16.325  -0.842  -5.942
  284    HG3  GLU  47           HG3      GLU  47  15.868  -2.458  -6.474
  285    H    ASP  48           H        ASP  48  12.000  -2.364  -2.914
  286    HA   ASP  48           HA       ASP  48  12.795  -4.917  -1.769
  287    HB2  ASP  48           HB2      ASP  48  11.214  -2.478  -0.890
  288    HB3  ASP  48           HB3      ASP  48  11.215  -3.924   0.020
  289    H    GLN  49           H        GLN  49  10.457  -3.887  -3.971
  290    HA   GLN  49           HA       GLN  49   8.290  -4.270  -4.479
  291    HB2  GLN  49           HB2      GLN  49   8.664  -7.057  -3.352
  292    HB3  GLN  49           HB3      GLN  49   7.513  -6.518  -4.555
  293    HG2  GLN  49           HG2      GLN  49   8.947  -7.411  -6.035
  294    HG3  GLN  49           HG3      GLN  49   9.618  -5.801  -5.971
  295   HE21  GLN  49          HE21      GLN  49  11.514  -6.988  -6.919
  296   HE22  GLN  49          HE22      GLN  49  12.516  -8.018  -5.900
  297    H    MET  50           H        MET  50   8.624  -2.875  -2.203
  298    HA   MET  50           HA       MET  50   6.557  -3.883  -0.334
  299    HB2  MET  50           HB2      MET  50   8.731  -4.196   0.652
  300    HB3  MET  50           HB3      MET  50   9.194  -2.525   0.294
  301    HG2  MET  50           HG2      MET  50   7.916  -1.615   1.979
  302    HG3  MET  50           HG3      MET  50   6.782  -2.960   2.030
  303    HE1  MET  50           HE1      MET  50   8.015  -5.513   2.420
  304    HE2  MET  50           HE2      MET  50   8.260  -5.630   4.173
  305    HE3  MET  50           HE3      MET  50   6.774  -4.888   3.538
  306    H    VAL  51           H        VAL  51   5.239  -2.311   0.716
  307    HA   VAL  51           HA       VAL  51   5.487   0.517  -0.171
  308    HB   VAL  51           HB       VAL  51   2.824  -0.974  -0.093
  309   HG11  VAL  51          HG11      VAL  51   3.823   1.750  -0.939
  310   HG12  VAL  51          HG12      VAL  51   2.359   1.067  -1.676
  311   HG13  VAL  51          HG13      VAL  51   2.443   1.349   0.088
  312   HG21  VAL  51          HG21      VAL  51   4.637  -0.443  -2.475
  313   HG22  VAL  51          HG22      VAL  51   4.089  -1.987  -1.857
  314   HG23  VAL  51          HG23      VAL  51   2.911  -0.897  -2.589
  315    H    LEU  52           H        LEU  52   5.365   1.922   1.394
  316    HA   LEU  52           HA       LEU  52   4.252   1.239   4.069
  317    HB2  LEU  52           HB2      LEU  52   5.768   3.677   3.019
  318    HB3  LEU  52           HB3      LEU  52   5.099   3.535   4.622
  319    HG   LEU  52           HG       LEU  52   6.661   1.423   4.848
  320   HD11  LEU  52          HD11      LEU  52   8.077   2.844   2.570
  321   HD12  LEU  52          HD12      LEU  52   7.431   1.189   2.539
  322   HD13  LEU  52          HD13      LEU  52   8.776   1.586   3.605
  323   HD21  LEU  52          HD21      LEU  52   6.937   3.570   6.061
  324   HD22  LEU  52          HD22      LEU  52   7.807   4.245   4.664
  325   HD23  LEU  52          HD23      LEU  52   8.498   2.896   5.583
  326    H    VAL  53           H        VAL  53   2.359   1.950   4.711
  327    HA   VAL  53           HA       VAL  53   0.959   4.094   3.179
  328    HB   VAL  53           HB       VAL  53  -0.318   1.473   4.035
  329   HG11  VAL  53          HG11      VAL  53  -1.356   3.811   2.347
  330   HG12  VAL  53          HG12      VAL  53  -2.261   2.336   2.753
  331   HG13  VAL  53          HG13      VAL  53  -1.821   3.481   4.024
  332   HG21  VAL  53          HG21      VAL  53  -0.617   1.037   1.598
  333   HG22  VAL  53          HG22      VAL  53   0.480   2.398   1.259
  334   HG23  VAL  53          HG23      VAL  53   1.064   0.961   2.128
  335    H    HIS  54           H        HIS  54   0.906   5.666   4.644
  336    HA   HIS  54           HA       HIS  54   0.491   5.115   7.506
  337    HB2  HIS  54           HB2      HIS  54   0.889   7.725   6.046
  338    HB3  HIS  54           HB3      HIS  54   0.929   7.514   7.767
  339    HD1  HIS  54           HD1      HIS  54   3.230   6.835   8.836
  340    HD2  HIS  54           HD2      HIS  54   3.008   6.372   4.672
  341    HE1  HIS  54           HE1      HIS  54   5.600   6.354   8.035
  342    H    THR  55           H        THR  55  -1.642   4.496   7.849
  343    HA   THR  55           HA       THR  55  -3.832   6.231   6.827
  344    HB   THR  55           HB       THR  55  -3.420   4.641   5.063
  345    HG1  THR  55           HG1      THR  55  -5.590   5.185   5.645
  346   HG21  THR  55          HG21      THR  55  -4.055   2.397   7.030
  347   HG22  THR  55          HG22      THR  55  -2.432   2.753   6.397
  348   HG23  THR  55          HG23      THR  55  -3.719   2.252   5.292
  349    H    THR  56           H        THR  56  -5.910   5.926   7.747
  350    HA   THR  56           HA       THR  56  -5.927   4.904  10.507
  351    HB   THR  56           HB       THR  56  -8.094   5.983  10.693
  352    HG1  THR  56           HG1      THR  56  -8.779   7.183   8.779
  353   HG21  THR  56          HG21      THR  56  -7.491   8.256  10.423
  354   HG22  THR  56          HG22      THR  56  -6.385   7.902   9.078
  355   HG23  THR  56          HG23      THR  56  -5.971   7.412  10.736
  356    H    LEU  57           H        LEU  57  -6.776   3.670   7.447
  357    HA   LEU  57           HA       LEU  57  -9.124   2.165   8.104
  358    HB2  LEU  57           HB2      LEU  57  -7.059   1.849   5.889
  359    HB3  LEU  57           HB3      LEU  57  -8.634   1.074   5.882
  360    HG   LEU  57           HG       LEU  57  -8.051   4.068   5.696
  361   HD11  LEU  57          HD11      LEU  57  -9.036   3.847   3.471
  362   HD12  LEU  57          HD12      LEU  57  -9.307   2.102   3.745
  363   HD13  LEU  57          HD13      LEU  57  -7.653   2.756   3.652
  364   HD21  LEU  57          HD21      LEU  57 -10.507   4.332   5.312
  365   HD22  LEU  57          HD22      LEU  57 -10.107   3.871   6.965
  366   HD23  LEU  57          HD23      LEU  57 -10.739   2.649   5.839
  367    HA   PRO  58           HA       PRO  58  -7.336  -1.475   9.991
  368    HB2  PRO  58           HB2      PRO  58  -9.295  -3.194   8.531
  369    HB3  PRO  58           HB3      PRO  58  -9.089  -2.987  10.289
  370    HG2  PRO  58           HG2      PRO  58 -11.240  -1.921   8.962
  371    HG3  PRO  58           HG3      PRO  58 -10.403  -0.947  10.221
  372    HD2  PRO  58           HD2      PRO  58  -9.842  -0.957   7.251
  373    HD3  PRO  58           HD3      PRO  58 -10.341   0.431   8.180
  374    H    SER  59           H        SER  59  -5.733  -3.057   9.373
  375    HA   SER  59           HA       SER  59  -4.677  -2.741   6.821
  376    HB2  SER  59           HB2      SER  59  -3.987  -5.251   8.296
  377    HB3  SER  59           HB3      SER  59  -2.975  -4.081   7.407
  378    HG   SER  59           HG       SER  59  -3.809  -4.121  10.050
  379    H    GLN  60           H        GLN  60  -7.136  -5.030   7.746
  380    HA   GLN  60           HA       GLN  60  -6.973  -6.765   5.448
  381    HB2  GLN  60           HB2      GLN  60  -9.558  -6.197   6.893
  382    HB3  GLN  60           HB3      GLN  60  -9.013  -7.650   6.077
  383    HG2  GLN  60           HG2      GLN  60  -8.766  -8.288   8.281
  384    HG3  GLN  60           HG3      GLN  60  -7.142  -7.740   7.923
  385   HE21  GLN  60          HE21      GLN  60  -6.542  -6.989  10.024
  386   HE22  GLN  60          HE22      GLN  60  -7.549  -5.870  10.928
  387    H    GLU  61           H        GLU  61  -8.470  -3.549   5.974
  388    HA   GLU  61           HA       GLU  61 -10.095  -3.593   3.546
  389    HB2  GLU  61           HB2      GLU  61 -10.535  -2.285   5.676
  390    HB3  GLU  61           HB3      GLU  61  -9.170  -1.235   5.237
  391    HG2  GLU  61           HG2      GLU  61 -10.306  -0.578   3.176
  392    HG3  GLU  61           HG3      GLU  61 -11.639  -1.681   3.563
  393    H    VAL  62           H        VAL  62  -6.917  -2.265   4.581
  394    HA   VAL  62           HA       VAL  62  -6.309  -1.025   2.088
  395    HB   VAL  62           HB       VAL  62  -4.219  -2.079   4.022
  396   HG11  VAL  62          HG11      VAL  62  -3.030  -0.028   3.369
  397   HG12  VAL  62          HG12      VAL  62  -3.558  -0.879   1.911
  398   HG13  VAL  62          HG13      VAL  62  -4.461   0.537   2.473
  399   HG21  VAL  62          HG21      VAL  62  -5.643  -1.106   5.603
  400   HG22  VAL  62          HG22      VAL  62  -4.346   0.012   5.333
  401   HG23  VAL  62          HG23      VAL  62  -5.937   0.333   4.584
  402    H    GLN  63           H        GLN  63  -5.533  -4.279   3.448
  403    HA   GLN  63           HA       GLN  63  -3.854  -5.212   1.378
  404    HB2  GLN  63           HB2      GLN  63  -4.254  -6.449   3.466
  405    HB3  GLN  63           HB3      GLN  63  -5.936  -6.708   3.035
  406    HG2  GLN  63           HG2      GLN  63  -5.315  -8.119   1.143
  407    HG3  GLN  63           HG3      GLN  63  -3.608  -7.701   1.343
  408   HE21  GLN  63          HE21      GLN  63  -3.130 -10.012   1.485
  409   HE22  GLN  63          HE22      GLN  63  -3.497 -10.910   2.948
  410    H    ALA  64           H        ALA  64  -7.458  -5.149   1.482
  411    HA   ALA  64           HA       ALA  64  -7.606  -6.490  -1.102
  412    HB1  ALA  64           HB1      ALA  64  -9.677  -5.205   0.726
  413    HB2  ALA  64           HB2      ALA  64 -10.057  -6.081  -0.777
  414    HB3  ALA  64           HB3      ALA  64  -9.277  -6.927   0.576
  415    H    LEU  65           H        LEU  65  -7.629  -3.096   0.088
  416    HA   LEU  65           HA       LEU  65  -8.373  -1.878  -2.346
  417    HB2  LEU  65           HB2      LEU  65  -6.821  -0.961   0.041
  418    HB3  LEU  65           HB3      LEU  65  -6.955   0.061  -1.368
  419    HG   LEU  65           HG       LEU  65  -9.400  -1.063   0.058
  420   HD11  LEU  65          HD11      LEU  65  -9.626   1.152   1.074
  421   HD12  LEU  65          HD12      LEU  65  -8.080   1.663   0.351
  422   HD13  LEU  65          HD13      LEU  65  -8.120   0.380   1.587
  423   HD21  LEU  65          HD21      LEU  65  -9.037   1.181  -1.970
  424   HD22  LEU  65          HD22      LEU  65 -10.541   0.816  -1.098
  425   HD23  LEU  65          HD23      LEU  65  -9.881  -0.363  -2.227
  426    H    LEU  66           H        LEU  66  -5.206  -2.780  -1.059
  427    HA   LEU  66           HA       LEU  66  -3.555  -2.039  -3.287
  428    HB2  LEU  66           HB2      LEU  66  -3.285  -4.040  -1.006
  429    HB3  LEU  66           HB3      LEU  66  -1.987  -3.738  -2.145
  430    HG   LEU  66           HG       LEU  66  -3.201  -1.422  -0.590
  431   HD11  LEU  66          HD11      LEU  66  -2.604  -3.063   1.120
  432   HD12  LEU  66          HD12      LEU  66  -1.431  -1.753   1.111
  433   HD13  LEU  66          HD13      LEU  66  -1.011  -3.311   0.363
  434   HD21  LEU  66          HD21      LEU  66  -0.928  -0.498  -0.880
  435   HD22  LEU  66          HD22      LEU  66  -1.677  -0.875  -2.439
  436   HD23  LEU  66          HD23      LEU  66  -0.436  -1.955  -1.759
  437    H    GLU  67           H        GLU  67  -5.162  -5.150  -2.416
  438    HA   GLU  67           HA       GLU  67  -4.259  -6.608  -4.678
  439    HB2  GLU  67           HB2      GLU  67  -6.574  -6.821  -2.771
  440    HB3  GLU  67           HB3      GLU  67  -6.574  -7.854  -4.138
  441    HG2  GLU  67           HG2      GLU  67  -3.971  -8.227  -3.237
  442    HG3  GLU  67           HG3      GLU  67  -4.821  -7.923  -1.733
  443    H    GLY  68           H        GLY  68  -7.018  -4.399  -4.391
  444    HA2  GLY  68           HA2      GLY  68  -8.176  -4.872  -6.969
  445    HA3  GLY  68           HA3      GLY  68  -8.365  -3.425  -5.976
  446    H    THR  69           H        THR  69  -5.113  -3.566  -6.333
  447    HA   THR  69           HA       THR  69  -4.978  -1.883  -8.750
  448    HB   THR  69           HB       THR  69  -2.655  -1.540  -8.253
  449    HG1  THR  69           HG1      THR  69  -2.828  -3.401  -6.160
  450   HG21  THR  69          HG21      THR  69  -4.109  -1.602  -5.595
  451   HG22  THR  69          HG22      THR  69  -4.389  -0.424  -6.880
  452   HG23  THR  69          HG23      THR  69  -2.793  -0.538  -6.124
  453    H    GLY  70           H        GLY  70  -5.140  -5.214  -8.233
  454    HA2  GLY  70           HA2      GLY  70  -5.353  -6.721 -10.014
  455    HA3  GLY  70           HA3      GLY  70  -4.301  -5.739 -11.030
  456    H    ARG  71           H        ARG  71  -3.392  -6.724  -7.735
  457    HA   ARG  71           HA       ARG  71  -1.655  -8.941  -8.598
  458    HB2  ARG  71           HB2      ARG  71   0.351  -7.851  -7.541
  459    HB3  ARG  71           HB3      ARG  71  -0.201  -7.090  -9.019
  460    HG2  ARG  71           HG2      ARG  71  -1.417  -5.358  -7.601
  461    HG3  ARG  71           HG3      ARG  71  -0.736  -6.115  -6.164
  462    HD2  ARG  71           HD2      ARG  71   0.512  -4.111  -6.814
  463    HD3  ARG  71           HD3      ARG  71   1.508  -5.568  -6.907
  464    HE   ARG  71           HE       ARG  71   1.798  -5.218  -9.183
  465   HH11  ARG  71          HH11      ARG  71  -1.129  -3.350  -8.437
  466   HH12  ARG  71          HH12      ARG  71  -1.197  -2.862 -10.133
  467   HH21  ARG  71          HH21      ARG  71   1.568  -4.473 -11.160
  468   HH22  ARG  71          HH22      ARG  71   0.227  -3.380 -11.526
  469    H    GLN  72           H        GLN  72  -0.489  -9.827  -6.657
  470    HA   GLN  72           HA       GLN  72  -2.279 -10.009  -4.352
  471    HB2  GLN  72           HB2      GLN  72  -0.333 -11.694  -5.493
  472    HB3  GLN  72           HB3      GLN  72   0.328 -11.276  -3.936
  473    HG2  GLN  72           HG2      GLN  72  -2.505 -12.355  -4.357
  474    HG3  GLN  72           HG3      GLN  72  -1.100 -13.378  -4.058
  475   HE21  GLN  72          HE21      GLN  72  -3.424 -11.191  -2.535
  476   HE22  GLN  72          HE22      GLN  72  -2.728 -11.316  -0.924
  477    H    ALA  73           H        ALA  73  -1.624  -9.764  -2.283
  478    HA   ALA  73           HA       ALA  73   0.371  -7.752  -1.430
  479    HB1  ALA  73           HB1      ALA  73  -1.589  -6.416  -2.277
  480    HB2  ALA  73           HB2      ALA  73  -2.636  -7.278  -1.134
  481    HB3  ALA  73           HB3      ALA  73  -1.337  -6.235  -0.526
  482    H    VAL  74           H        VAL  74   1.088  -8.198   0.523
  483    HA   VAL  74           HA       VAL  74  -0.585  -9.593   2.571
  484    HB   VAL  74           HB       VAL  74   2.244 -10.326   1.703
  485   HG11  VAL  74          HG11      VAL  74   2.135 -12.072   3.486
  486   HG12  VAL  74          HG12      VAL  74   2.151 -10.447   4.160
  487   HG13  VAL  74          HG13      VAL  74   0.622 -11.359   4.081
  488   HG21  VAL  74          HG21      VAL  74   1.275 -12.581   1.359
  489   HG22  VAL  74          HG22      VAL  74  -0.338 -11.949   1.768
  490   HG23  VAL  74          HG23      VAL  74   0.518 -11.374   0.320
  491    H    LEU  75           H        LEU  75  -0.408  -8.633   4.536
  492    HA   LEU  75           HA       LEU  75   1.393  -6.304   4.846
  493    HB2  LEU  75           HB2      LEU  75  -0.923  -6.166   5.550
  494    HB3  LEU  75           HB3      LEU  75  -0.771  -7.536   6.561
  495    HG   LEU  75           HG       LEU  75  -0.884  -5.228   7.574
  496   HD11  LEU  75          HD11      LEU  75   1.285  -7.025   8.574
  497   HD12  LEU  75          HD12      LEU  75  -0.451  -7.051   8.951
  498   HD13  LEU  75          HD13      LEU  75   0.525  -5.675   9.454
  499   HD21  LEU  75          HD21      LEU  75   0.753  -4.106   6.114
  500   HD22  LEU  75          HD22      LEU  75   2.003  -4.844   7.142
  501   HD23  LEU  75          HD23      LEU  75   0.809  -3.757   7.851
  502    H    LYS  76           H        LYS  76   3.107  -6.202   5.926
  503    HA   LYS  76           HA       LYS  76   4.356  -8.701   7.037
  504    HB2  LYS  76           HB2      LYS  76   5.644  -6.118   6.101
  505    HB3  LYS  76           HB3      LYS  76   6.481  -7.524   6.716
  506    HG2  LYS  76           HG2      LYS  76   4.754  -7.510   4.202
  507    HG3  LYS  76           HG3      LYS  76   6.486  -7.279   4.211
  508    HD2  LYS  76           HD2      LYS  76   5.050  -9.809   5.104
  509    HD3  LYS  76           HD3      LYS  76   5.848  -9.566   3.563
  510    HE2  LYS  76           HE2      LYS  76   7.167  -9.747   6.293
  511    HE3  LYS  76           HE3      LYS  76   7.260 -10.898   4.956
  512    HZ1  LYS  76           HZ1      LYS  76   8.495  -8.217   5.121
  513    HZ2  LYS  76           HZ2      LYS  76   8.378  -9.000   3.676
  514    HZ3  LYS  76           HZ3      LYS  76   9.249  -9.638   4.919
  515    H    GLY  77           H        GLY  77   3.372  -5.491   8.017
  516    HA2  GLY  77           HA2      GLY  77   2.665  -5.969  10.479
  517    HA3  GLY  77           HA3      GLY  77   4.412  -5.811  10.751
  518    H    MET  78           H        MET  78   3.410  -4.126  12.154
  519    HA   MET  78           HA       MET  78   2.711  -1.610  10.784
  520    HB2  MET  78           HB2      MET  78   2.363  -2.585  13.639
  521    HB3  MET  78           HB3      MET  78   2.041  -0.938  13.093
  522    HG2  MET  78           HG2      MET  78  -0.060  -2.000  12.987
  523    HG3  MET  78           HG3      MET  78   0.504  -1.881  11.331
  524    HE1  MET  78           HE1      MET  78  -1.034  -3.487  10.283
  525    HE2  MET  78           HE2      MET  78  -1.470  -5.085  10.916
  526    HE3  MET  78           HE3      MET  78  -1.918  -3.621  11.823
  527    H    GLY  79           H        GLY  79   4.044  -0.025  10.542
  528    HA2  GLY  79           HA2      GLY  79   6.814  -0.245  11.362
  529    HA3  GLY  79           HA3      GLY  79   6.103   1.047  10.405
  Start of MODEL    4
    1    H    GLY   9           H        GLY   9  -9.585   3.264  11.146
    2    HA2  GLY   9           HA2      GLY   9  -9.796   3.280  14.087
    3    HA3  GLY   9           HA3      GLY   9  -8.460   2.704  13.088
    4    H    THR  10           H        THR  10  -6.722   3.772  13.598
    5    HA   THR  10           HA       THR  10  -6.683   6.721  13.720
    6    HB   THR  10           HB       THR  10  -6.815   5.936  16.002
    7    HG1  THR  10           HG1      THR  10  -5.690   7.651  16.029
    8   HG21  THR  10          HG21      THR  10  -5.778   3.705  15.828
    9   HG22  THR  10          HG22      THR  10  -4.962   4.691  17.053
   10   HG23  THR  10          HG23      THR  10  -4.203   4.449  15.468
   11    H    LEU  11           H        LEU  11  -4.660   7.655  13.303
   12    HA   LEU  11           HA       LEU  11  -3.527   6.512  10.981
   13    HB2  LEU  11           HB2      LEU  11  -3.652   9.035  11.904
   14    HB3  LEU  11           HB3      LEU  11  -2.033   8.607  12.458
   15    HG   LEU  11           HG       LEU  11  -1.916   9.874  10.452
   16   HD11  LEU  11          HD11      LEU  11  -1.153   7.060   9.628
   17   HD12  LEU  11          HD12      LEU  11  -0.220   8.042  10.789
   18   HD13  LEU  11          HD13      LEU  11  -0.440   8.601   9.130
   19   HD21  LEU  11          HD21      LEU  11  -3.981   9.446   9.345
   20   HD22  LEU  11          HD22      LEU  11  -3.633   7.718   9.200
   21   HD23  LEU  11          HD23      LEU  11  -2.696   8.869   8.256
   22    H    CYS  12           H        CYS  12  -1.993   5.265  10.607
   23    HA   CYS  12           HA       CYS  12   0.332   4.642  12.308
   24    HB2  CYS  12           HB2      CYS  12  -1.997   2.770  11.740
   25    HB3  CYS  12           HB3      CYS  12  -0.368   2.123  12.015
   26    HG   CYS  12           HG       CYS  12  -1.768   4.353  14.000
   27    H    THR  13           H        THR  13   1.991   3.507  11.125
   28    HA   THR  13           HA       THR  13   1.734   3.477   8.161
   29    HB   THR  13           HB       THR  13   4.106   2.734   9.903
   30    HG1  THR  13           HG1      THR  13   4.854   4.753   9.195
   31   HG21  THR  13          HG21      THR  13   3.892   3.339   6.912
   32   HG22  THR  13          HG22      THR  13   4.201   1.733   7.614
   33   HG23  THR  13          HG23      THR  13   5.392   3.021   7.814
   34    H    LEU  14           H        LEU  14   1.008   1.785   7.118
   35    HA   LEU  14           HA       LEU  14   1.395  -1.007   8.164
   36    HB2  LEU  14           HB2      LEU  14  -0.573   0.309   6.311
   37    HB3  LEU  14           HB3      LEU  14  -0.160  -1.384   6.088
   38    HG   LEU  14           HG       LEU  14  -1.137  -2.103   8.044
   39   HD11  LEU  14          HD11      LEU  14  -1.876  -0.765   9.921
   40   HD12  LEU  14          HD12      LEU  14  -1.218   0.713   9.171
   41   HD13  LEU  14          HD13      LEU  14  -0.148  -0.615   9.697
   42   HD21  LEU  14          HD21      LEU  14  -2.829  -1.282   6.448
   43   HD22  LEU  14          HD22      LEU  14  -2.776   0.327   7.203
   44   HD23  LEU  14          HD23      LEU  14  -3.392  -1.054   8.112
   45    H    GLU  15           H        GLU  15   2.806  -2.304   7.227
   46    HA   GLU  15           HA       GLU  15   4.249  -1.362   4.773
   47    HB2  GLU  15           HB2      GLU  15   5.269  -2.878   7.205
   48    HB3  GLU  15           HB3      GLU  15   6.184  -2.607   5.707
   49    HG2  GLU  15           HG2      GLU  15   5.717  -0.105   6.030
   50    HG3  GLU  15           HG3      GLU  15   5.160  -0.508   7.655
   51    H    PHE  16           H        PHE  16   3.233  -2.387   3.158
   52    HA   PHE  16           HA       PHE  16   2.635  -5.310   3.420
   53    HB2  PHE  16           HB2      PHE  16   1.614  -3.151   1.530
   54    HB3  PHE  16           HB3      PHE  16   1.335  -4.862   1.284
   55    HD1  PHE  16           HD2      PHE  16   0.474  -2.024   3.475
   56    HD2  PHE  16           HD1      PHE  16  -0.232  -6.157   2.479
   57    HE1  PHE  16           HE2      PHE  16  -1.750  -1.902   4.569
   58    HE2  PHE  16           HE1      PHE  16  -2.485  -6.026   3.542
   59    HZ   PHE  16           HZ       PHE  16  -3.259  -3.892   4.546
   60    H    ALA  17           H        ALA  17   3.547  -6.752   2.290
   61    HA   ALA  17           HA       ALA  17   5.631  -6.116   0.244
   62    HB1  ALA  17           HB1      ALA  17   6.090  -7.942   1.814
   63    HB2  ALA  17           HB2      ALA  17   4.591  -8.782   1.311
   64    HB3  ALA  17           HB3      ALA  17   5.929  -8.572   0.167
   65    H    VAL  18           H        VAL  18   5.353  -6.505  -1.963
   66    HA   VAL  18           HA       VAL  18   2.685  -7.329  -3.040
   67    HB   VAL  18           HB       VAL  18   2.831  -5.287  -4.573
   68   HG11  VAL  18          HG11      VAL  18   2.408  -4.683  -1.611
   69   HG12  VAL  18          HG12      VAL  18   1.780  -3.768  -2.989
   70   HG13  VAL  18          HG13      VAL  18   1.209  -5.417  -2.701
   71   HG21  VAL  18          HG21      VAL  18   4.025  -3.379  -3.795
   72   HG22  VAL  18          HG22      VAL  18   4.715  -4.284  -2.437
   73   HG23  VAL  18          HG23      VAL  18   5.175  -4.705  -4.105
   74    H    GLN  19           H        GLN  19   2.712  -7.477  -5.499
   75    HA   GLN  19           HA       GLN  19   5.361  -8.599  -6.404
   76    HB2  GLN  19           HB2      GLN  19   2.529  -9.181  -7.338
   77    HB3  GLN  19           HB3      GLN  19   4.006  -9.852  -8.044
   78    HG2  GLN  19           HG2      GLN  19   4.567 -10.925  -5.879
   79    HG3  GLN  19           HG3      GLN  19   3.082 -10.280  -5.175
   80   HE21  GLN  19          HE21      GLN  19   2.955 -12.753  -4.776
   81   HE22  GLN  19          HE22      GLN  19   2.108 -13.662  -6.048
   82    H    MET  20           H        MET  20   6.276  -6.520  -7.019
   83    HA   MET  20           HA       MET  20   5.720  -6.006  -9.847
   84    HB2  MET  20           HB2      MET  20   5.591  -3.527  -9.486
   85    HB3  MET  20           HB3      MET  20   4.173  -4.414  -8.922
   86    HG2  MET  20           HG2      MET  20   5.026  -4.301  -6.591
   87    HG3  MET  20           HG3      MET  20   6.449  -3.418  -7.169
   88    HE1  MET  20           HE1      MET  20   4.497  -0.973  -4.997
   89    HE2  MET  20           HE2      MET  20   5.518  -2.459  -5.019
   90    HE3  MET  20           HE3      MET  20   6.109  -0.951  -5.748
   91    H    THR  21           H        THR  21   7.477  -5.076 -10.946
   92    HA   THR  21           HA       THR  21   9.852  -4.190  -9.483
   93    HB   THR  21           HB       THR  21   9.934  -6.655  -9.494
   94    HG1  THR  21           HG1      THR  21  12.096  -5.372 -10.772
   95   HG21  THR  21          HG21      THR  21   9.295  -7.086 -11.844
   96   HG22  THR  21          HG22      THR  21  10.844  -7.829 -11.390
   97   HG23  THR  21          HG23      THR  21  10.824  -6.350 -12.376
   98    H    CYS  22           H        CYS  22   7.910  -3.597 -12.022
   99    HA   CYS  22           HA       CYS  22  10.000  -1.793 -13.037
  100    HB2  CYS  22           HB2      CYS  22   9.432  -1.968 -15.305
  101    HB3  CYS  22           HB3      CYS  22   9.865  -3.541 -14.702
  102    H    GLN  23           H        GLN  23   9.284   0.202 -13.869
  103    HA   GLN  23           HA       GLN  23   8.066   1.358 -11.715
  104    HB2  GLN  23           HB2      GLN  23   9.815   2.267 -13.404
  105    HB3  GLN  23           HB3      GLN  23   8.442   2.871 -14.299
  106    HG2  GLN  23           HG2      GLN  23   9.434   4.575 -12.835
  107    HG3  GLN  23           HG3      GLN  23   7.756   4.259 -12.404
  108   HE21  GLN  23          HE21      GLN  23  10.596   2.185 -11.375
  109   HE22  GLN  23          HE22      GLN  23  10.503   2.717  -9.712
  110    H    SER  24           H        SER  24   6.406   0.685 -14.773
  111    HA   SER  24           HA       SER  24   4.204   2.456 -14.500
  112    HB2  SER  24           HB2      SER  24   4.087  -0.387 -15.590
  113    HB3  SER  24           HB3      SER  24   2.970   0.939 -15.946
  114    HG   SER  24           HG       SER  24   5.379   1.853 -16.519
  115    H    CYS  25           H        CYS  25   4.725  -0.706 -12.936
  116    HA   CYS  25           HA       CYS  25   2.091  -0.943 -11.828
  117    HB2  CYS  25           HB2      CYS  25   4.738  -2.274 -11.171
  118    HB3  CYS  25           HB3      CYS  25   3.129  -2.862 -10.750
  119    H    VAL  26           H        VAL  26   5.205   0.300 -10.617
  120    HA   VAL  26           HA       VAL  26   4.698   0.788  -7.877
  121    HB   VAL  26           HB       VAL  26   6.470   2.452  -9.725
  122   HG11  VAL  26          HG11      VAL  26   6.793   1.404  -6.888
  123   HG12  VAL  26          HG12      VAL  26   8.123   2.105  -7.802
  124   HG13  VAL  26          HG13      VAL  26   6.714   3.111  -7.463
  125   HG21  VAL  26          HG21      VAL  26   6.850  -0.368  -8.738
  126   HG22  VAL  26          HG22      VAL  26   6.816   0.174 -10.423
  127   HG23  VAL  26          HG23      VAL  26   8.164   0.656  -9.425
  128    H    ASP  27           H        ASP  27   4.444   3.052 -10.669
  129    HA   ASP  27           HA       ASP  27   3.090   5.130  -9.270
  130    HB2  ASP  27           HB2      ASP  27   4.173   4.898 -11.715
  131    HB3  ASP  27           HB3      ASP  27   2.537   4.536 -12.178
  132    H    ALA  28           H        ALA  28   1.881   2.143 -10.752
  133    HA   ALA  28           HA       ALA  28  -0.907   3.041 -10.785
  134    HB1  ALA  28           HB1      ALA  28   0.249   0.241 -11.101
  135    HB2  ALA  28           HB2      ALA  28  -1.405   0.749 -11.486
  136    HB3  ALA  28           HB3      ALA  28  -0.037   1.407 -12.411
  137    H    VAL  29           H        VAL  29   1.015   0.934  -8.546
  138    HA   VAL  29           HA       VAL  29  -1.261   0.378  -6.908
  139    HB   VAL  29           HB       VAL  29   1.723   0.108  -6.356
  140   HG11  VAL  29          HG11      VAL  29   1.076  -1.516  -4.672
  141   HG12  VAL  29          HG12      VAL  29   0.219  -0.001  -4.318
  142   HG13  VAL  29          HG13      VAL  29  -0.632  -1.352  -5.129
  143   HG21  VAL  29          HG21      VAL  29   1.508  -2.217  -6.978
  144   HG22  VAL  29          HG22      VAL  29  -0.249  -2.085  -7.183
  145   HG23  VAL  29          HG23      VAL  29   0.823  -1.320  -8.330
  146    H    ARG  30           H        ARG  30   1.278   2.893  -6.891
  147    HA   ARG  30           HA       ARG  30   0.524   4.214  -4.423
  148    HB2  ARG  30           HB2      ARG  30   1.828   5.021  -7.076
  149    HB3  ARG  30           HB3      ARG  30   1.456   6.250  -5.877
  150    HG2  ARG  30           HG2      ARG  30   3.023   5.525  -4.365
  151    HG3  ARG  30           HG3      ARG  30   3.016   3.865  -4.939
  152    HD2  ARG  30           HD2      ARG  30   5.103   5.390  -5.342
  153    HD3  ARG  30           HD3      ARG  30   4.596   4.214  -6.553
  154    HE   ARG  30           HE       ARG  30   4.640   5.882  -7.991
  155   HH11  ARG  30          HH11      ARG  30   4.420   7.513  -4.971
  156   HH12  ARG  30          HH12      ARG  30   4.026   9.050  -5.679
  157   HH21  ARG  30          HH21      ARG  30   3.711   7.773  -8.892
  158   HH22  ARG  30          HH22      ARG  30   3.593   9.188  -7.866
  159    H    LYS  31           H        LYS  31  -0.856   4.346  -7.703
  160    HA   LYS  31           HA       LYS  31  -2.608   6.553  -7.003
  161    HB2  LYS  31           HB2      LYS  31  -2.118   4.952  -9.499
  162    HB3  LYS  31           HB3      LYS  31  -3.440   6.147  -9.377
  163    HG2  LYS  31           HG2      LYS  31  -1.975   7.878  -8.664
  164    HG3  LYS  31           HG3      LYS  31  -0.599   6.775  -8.465
  165    HD2  LYS  31           HD2      LYS  31  -0.396   6.546 -10.895
  166    HD3  LYS  31           HD3      LYS  31  -1.813   7.624 -11.110
  167    HE2  LYS  31           HE2      LYS  31  -0.725   9.381  -9.803
  168    HE3  LYS  31           HE3      LYS  31   0.637   8.328  -9.433
  169    HZ1  LYS  31           HZ1      LYS  31   1.284   8.352 -11.736
  170    HZ2  LYS  31           HZ2      LYS  31   1.123   9.908 -11.209
  171    HZ3  LYS  31           HZ3      LYS  31  -0.042   9.225 -12.178
  172    H    SER  32           H        SER  32  -3.112   3.127  -6.767
  173    HA   SER  32           HA       SER  32  -5.971   3.342  -6.207
  174    HB2  SER  32           HB2      SER  32  -4.989   1.173  -6.498
  175    HB3  SER  32           HB3      SER  32  -3.859   1.421  -5.149
  176    HG   SER  32           HG       SER  32  -5.699   0.190  -4.482
  177    H    LEU  33           H        LEU  33  -3.016   3.833  -4.263
  178    HA   LEU  33           HA       LEU  33  -4.389   4.377  -1.771
  179    HB2  LEU  33           HB2      LEU  33  -1.531   5.075  -2.561
  180    HB3  LEU  33           HB3      LEU  33  -2.161   4.899  -0.938
  181    HG   LEU  33           HG       LEU  33  -2.011   2.587  -2.919
  182   HD11  LEU  33          HD11      LEU  33  -0.020   1.845  -1.743
  183   HD12  LEU  33          HD12      LEU  33  -0.051   3.295  -0.712
  184   HD13  LEU  33          HD13      LEU  33   0.263   3.438  -2.447
  185   HD21  LEU  33          HD21      LEU  33  -2.195   1.207  -0.956
  186   HD22  LEU  33          HD22      LEU  33  -3.599   2.277  -1.091
  187   HD23  LEU  33          HD23      LEU  33  -2.305   2.646   0.087
  188    H    GLN  34           H        GLN  34  -3.006   6.452  -4.323
  189    HA   GLN  34           HA       GLN  34  -3.153   8.893  -2.883
  190    HB2  GLN  34           HB2      GLN  34  -2.873   8.092  -5.745
  191    HB3  GLN  34           HB3      GLN  34  -3.214   9.759  -5.449
  192    HG2  GLN  34           HG2      GLN  34  -1.273  10.046  -4.051
  193    HG3  GLN  34           HG3      GLN  34  -0.968   8.315  -4.013
  194   HE21  GLN  34          HE21      GLN  34   1.207   9.480  -4.684
  195   HE22  GLN  34          HE22      GLN  34   1.486   9.492  -6.429
  196    H    GLY  35           H        GLY  35  -4.617  10.134  -2.377
  197    HA2  GLY  35           HA2      GLY  35  -6.615  11.352  -2.320
  198    HA3  GLY  35           HA3      GLY  35  -7.227  10.401  -3.672
  199    H    VAL  36           H        VAL  36  -6.261   8.220  -1.193
  200    HA   VAL  36           HA       VAL  36  -9.013   7.492  -0.758
  201    HB   VAL  36           HB       VAL  36  -6.411   6.503   0.453
  202   HG11  VAL  36          HG11      VAL  36  -9.237   5.427   0.882
  203   HG12  VAL  36          HG12      VAL  36  -7.739   4.581   1.312
  204   HG13  VAL  36          HG13      VAL  36  -8.151   6.086   2.133
  205   HG21  VAL  36          HG21      VAL  36  -6.887   4.509  -0.919
  206   HG22  VAL  36          HG22      VAL  36  -8.402   5.241  -1.496
  207   HG23  VAL  36          HG23      VAL  36  -6.840   5.949  -1.939
  208    H    ALA  37           H        ALA  37 -10.333   8.213   0.645
  209    HA   ALA  37           HA       ALA  37  -9.789  10.214   2.629
  210    HB1  ALA  37           HB1      ALA  37 -11.974   9.983   1.596
  211    HB2  ALA  37           HB2      ALA  37 -12.175   8.351   2.258
  212    HB3  ALA  37           HB3      ALA  37 -12.133   9.754   3.344
  213    H    GLY  38           H        GLY  38  -8.438   9.851   4.243
  214    HA2  GLY  38           HA2      GLY  38  -8.081   8.994   6.503
  215    HA3  GLY  38           HA3      GLY  38  -8.634   7.409   5.972
  216    H    VAL  39           H        VAL  39  -6.603   8.813   3.539
  217    HA   VAL  39           HA       VAL  39  -4.152   7.598   4.735
  218    HB   VAL  39           HB       VAL  39  -4.960   7.212   2.285
  219   HG11  VAL  39          HG11      VAL  39  -3.299   9.709   1.798
  220   HG12  VAL  39          HG12      VAL  39  -4.052   8.637   0.602
  221   HG13  VAL  39          HG13      VAL  39  -5.063   9.631   1.658
  222   HG21  VAL  39          HG21      VAL  39  -2.045   7.848   2.917
  223   HG22  VAL  39          HG22      VAL  39  -2.878   6.318   3.264
  224   HG23  VAL  39          HG23      VAL  39  -2.641   6.835   1.590
  225    H    GLN  40           H        GLN  40  -2.362   8.819   5.292
  226    HA   GLN  40           HA       GLN  40  -2.499  11.805   5.055
  227    HB2  GLN  40           HB2      GLN  40  -1.005   9.888   6.853
  228    HB3  GLN  40           HB3      GLN  40  -0.307  11.451   6.515
  229    HG2  GLN  40           HG2      GLN  40  -3.137  11.166   7.579
  230    HG3  GLN  40           HG3      GLN  40  -1.725  11.224   8.625
  231   HE21  GLN  40          HE21      GLN  40  -3.434  13.135   9.253
  232   HE22  GLN  40          HE22      GLN  40  -2.967  14.683   8.586
  233    H    ASP  41           H        ASP  41  -0.378   8.952   4.407
  234    HA   ASP  41           HA       ASP  41   1.038  10.294   2.211
  235    HB2  ASP  41           HB2      ASP  41   2.267   9.683   4.931
  236    HB3  ASP  41           HB3      ASP  41   3.247   9.793   3.507
  237    H    VAL  42           H        VAL  42   2.758   8.893   1.394
  238    HA   VAL  42           HA       VAL  42   2.679   5.988   1.948
  239    HB   VAL  42           HB       VAL  42   2.530   5.447  -0.443
  240   HG11  VAL  42          HG11      VAL  42   0.056   6.921   0.527
  241   HG12  VAL  42          HG12      VAL  42   0.126   5.663  -0.711
  242   HG13  VAL  42          HG13      VAL  42   0.524   5.264   0.972
  243   HG21  VAL  42          HG21      VAL  42   1.616   8.310  -0.919
  244   HG22  VAL  42          HG22      VAL  42   3.139   7.601  -1.493
  245   HG23  VAL  42          HG23      VAL  42   1.600   6.979  -2.097
  246    H    GLU  43           H        GLU  43   4.527   4.850   1.154
  247    HA   GLU  43           HA       GLU  43   6.514   6.252  -0.493
  248    HB2  GLU  43           HB2      GLU  43   7.240   6.862   1.790
  249    HB3  GLU  43           HB3      GLU  43   7.321   5.155   2.236
  250    HG2  GLU  43           HG2      GLU  43   9.143   4.762   0.697
  251    HG3  GLU  43           HG3      GLU  43   8.937   6.343  -0.043
  252    H    VAL  44           H        VAL  44   7.029   4.805  -2.107
  253    HA   VAL  44           HA       VAL  44   6.572   1.899  -1.572
  254    HB   VAL  44           HB       VAL  44   5.222   2.904  -3.384
  255   HG11  VAL  44          HG11      VAL  44   6.904   4.504  -4.316
  256   HG12  VAL  44          HG12      VAL  44   7.818   3.102  -4.942
  257   HG13  VAL  44          HG13      VAL  44   6.163   3.408  -5.475
  258   HG21  VAL  44          HG21      VAL  44   7.198   0.833  -4.326
  259   HG22  VAL  44          HG22      VAL  44   5.817   0.523  -3.246
  260   HG23  VAL  44          HG23      VAL  44   5.532   1.134  -4.887
  261    H    HIS  45           H        HIS  45   8.144   0.427  -1.752
  262    HA   HIS  45           HA       HIS  45  10.804   1.318  -2.744
  263    HB2  HIS  45           HB2      HIS  45  10.152  -0.603  -0.449
  264    HB3  HIS  45           HB3      HIS  45  11.732  -0.399  -1.163
  265    HD1  HIS  45           HD1      HIS  45  13.266   1.140   0.107
  266    HD2  HIS  45           HD2      HIS  45   9.186   1.976   0.737
  267    HE1  HIS  45           HE1      HIS  45  13.165   3.040   1.810
  268    H    LEU  46           H        LEU  46  10.801   0.637  -4.683
  269    HA   LEU  46           HA       LEU  46   9.541  -1.775  -5.673
  270    HB2  LEU  46           HB2      LEU  46   9.806   0.459  -6.769
  271    HB3  LEU  46           HB3      LEU  46  11.511   0.246  -6.885
  272    HG   LEU  46           HG       LEU  46  10.108  -0.112  -8.955
  273   HD11  LEU  46          HD11      LEU  46  11.440  -1.867  -9.870
  274   HD12  LEU  46          HD12      LEU  46  11.932  -2.414  -8.257
  275   HD13  LEU  46          HD13      LEU  46  12.427  -0.814  -8.852
  276   HD21  LEU  46          HD21      LEU  46   8.376  -1.539  -7.716
  277   HD22  LEU  46          HD22      LEU  46   9.538  -2.862  -7.796
  278   HD23  LEU  46          HD23      LEU  46   8.906  -2.131  -9.298
  279    H    GLU  47           H        GLU  47  12.755  -0.784  -4.739
  280    HA   GLU  47           HA       GLU  47  14.208  -3.188  -5.511
  281    HB2  GLU  47           HB2      GLU  47  14.802  -0.942  -3.549
  282    HB3  GLU  47           HB3      GLU  47  15.950  -2.235  -3.925
  283    HG2  GLU  47           HG2      GLU  47  16.061  -1.585  -6.251
  284    HG3  GLU  47           HG3      GLU  47  14.761  -0.410  -6.052
  285    H    ASP  48           H        ASP  48  12.030  -2.697  -2.859
  286    HA   ASP  48           HA       ASP  48  12.906  -5.221  -1.614
  287    HB2  ASP  48           HB2      ASP  48  11.582  -2.638  -0.697
  288    HB3  ASP  48           HB3      ASP  48  11.434  -4.083   0.214
  289    H    GLN  49           H        GLN  49  10.697  -4.054  -3.800
  290    HA   GLN  49           HA       GLN  49   8.500  -4.238  -4.304
  291    HB2  GLN  49           HB2      GLN  49   8.673  -7.108  -3.420
  292    HB3  GLN  49           HB3      GLN  49   7.638  -6.382  -4.647
  293    HG2  GLN  49           HG2      GLN  49   9.137  -7.310  -6.079
  294    HG3  GLN  49           HG3      GLN  49   9.864  -5.728  -5.887
  295   HE21  GLN  49          HE21      GLN  49  12.125  -6.030  -5.886
  296   HE22  GLN  49          HE22      GLN  49  12.919  -7.378  -5.108
  297    H    MET  50           H        MET  50   8.592  -2.922  -2.150
  298    HA   MET  50           HA       MET  50   6.584  -4.021  -0.262
  299    HB2  MET  50           HB2      MET  50   8.769  -4.301   0.722
  300    HB3  MET  50           HB3      MET  50   9.257  -2.678   0.251
  301    HG2  MET  50           HG2      MET  50   8.876  -2.690   2.594
  302    HG3  MET  50           HG3      MET  50   7.671  -1.693   1.829
  303    HE1  MET  50           HE1      MET  50   8.506  -4.935   3.710
  304    HE2  MET  50           HE2      MET  50   6.923  -5.718   3.914
  305    HE3  MET  50           HE3      MET  50   7.703  -5.700   2.314
  306    H    VAL  51           H        VAL  51   5.301  -2.381   0.846
  307    HA   VAL  51           HA       VAL  51   5.402   0.393  -0.235
  308    HB   VAL  51           HB       VAL  51   2.726  -1.010   0.089
  309   HG11  VAL  51          HG11      VAL  51   2.925   1.477  -0.187
  310   HG12  VAL  51          HG12      VAL  51   3.799   1.206  -1.717
  311   HG13  VAL  51          HG13      VAL  51   2.097   0.715  -1.560
  312   HG21  VAL  51          HG21      VAL  51   3.761  -2.484  -1.459
  313   HG22  VAL  51          HG22      VAL  51   2.662  -1.431  -2.347
  314   HG23  VAL  51          HG23      VAL  51   4.417  -1.139  -2.425
  315    H    LEU  52           H        LEU  52   5.417   1.846   1.343
  316    HA   LEU  52           HA       LEU  52   4.211   1.313   4.005
  317    HB2  LEU  52           HB2      LEU  52   5.733   3.719   2.899
  318    HB3  LEU  52           HB3      LEU  52   4.990   3.648   4.471
  319    HG   LEU  52           HG       LEU  52   6.547   1.657   4.980
  320   HD11  LEU  52          HD11      LEU  52   8.713   1.686   3.772
  321   HD12  LEU  52          HD12      LEU  52   8.007   2.777   2.567
  322   HD13  LEU  52          HD13      LEU  52   7.391   1.115   2.749
  323   HD21  LEU  52          HD21      LEU  52   7.754   4.406   4.474
  324   HD22  LEU  52          HD22      LEU  52   8.364   3.174   5.595
  325   HD23  LEU  52          HD23      LEU  52   6.804   3.945   5.901
  326    H    VAL  53           H        VAL  53   2.335   2.037   4.579
  327    HA   VAL  53           HA       VAL  53   0.914   4.137   3.004
  328    HB   VAL  53           HB       VAL  53  -0.350   1.585   4.075
  329   HG11  VAL  53          HG11      VAL  53  -2.315   2.367   2.765
  330   HG12  VAL  53          HG12      VAL  53  -1.853   3.583   3.959
  331   HG13  VAL  53          HG13      VAL  53  -1.413   3.810   2.255
  332   HG21  VAL  53          HG21      VAL  53  -0.706   0.994   1.657
  333   HG22  VAL  53          HG22      VAL  53   0.442   2.288   1.233
  334   HG23  VAL  53          HG23      VAL  53   0.972   0.896   2.192
  335    H    HIS  54           H        HIS  54   0.828   5.802   4.381
  336    HA   HIS  54           HA       HIS  54   0.652   5.388   7.306
  337    HB2  HIS  54           HB2      HIS  54   0.923   7.943   5.693
  338    HB3  HIS  54           HB3      HIS  54   1.140   7.779   7.409
  339    HD1  HIS  54           HD1      HIS  54   3.616   7.673   8.106
  340    HD2  HIS  54           HD2      HIS  54   2.912   6.347   4.188
  341    HE1  HIS  54           HE1      HIS  54   5.895   7.140   7.107
  342    H    THR  55           H        THR  55  -1.482   4.846   7.859
  343    HA   THR  55           HA       THR  55  -3.691   6.590   6.899
  344    HB   THR  55           HB       THR  55  -3.353   4.951   5.137
  345    HG1  THR  55           HG1      THR  55  -5.493   5.608   5.786
  346   HG21  THR  55          HG21      THR  55  -4.030   2.773   7.166
  347   HG22  THR  55          HG22      THR  55  -2.417   3.040   6.471
  348   HG23  THR  55          HG23      THR  55  -3.767   2.578   5.423
  349    H    THR  56           H        THR  56  -5.746   6.296   7.887
  350    HA   THR  56           HA       THR  56  -5.777   5.188  10.624
  351    HB   THR  56           HB       THR  56  -8.052   6.155  10.713
  352    HG1  THR  56           HG1      THR  56  -8.611   7.485   8.821
  353   HG21  THR  56          HG21      THR  56  -6.094   8.176   9.568
  354   HG22  THR  56          HG22      THR  56  -6.155   7.626  11.261
  355   HG23  THR  56          HG23      THR  56  -7.525   8.500  10.574
  356    H    LEU  57           H        LEU  57  -6.524   4.016   7.483
  357    HA   LEU  57           HA       LEU  57  -8.924   2.588   8.054
  358    HB2  LEU  57           HB2      LEU  57  -6.767   2.122   5.963
  359    HB3  LEU  57           HB3      LEU  57  -8.350   1.352   5.943
  360    HG   LEU  57           HG       LEU  57  -7.722   4.307   5.540
  361   HD11  LEU  57          HD11      LEU  57  -9.044   2.190   3.795
  362   HD12  LEU  57          HD12      LEU  57  -7.388   2.821   3.610
  363   HD13  LEU  57          HD13      LEU  57  -8.780   3.886   3.364
  364   HD21  LEU  57          HD21      LEU  57 -10.175   4.564   5.138
  365   HD22  LEU  57          HD22      LEU  57  -9.720   4.356   6.831
  366   HD23  LEU  57          HD23      LEU  57 -10.417   2.987   5.929
  367    HA   PRO  58           HA       PRO  58  -7.338  -1.066  10.096
  368    HB2  PRO  58           HB2      PRO  58  -9.423  -2.753   8.865
  369    HB3  PRO  58           HB3      PRO  58  -9.250  -2.278  10.575
  370    HG2  PRO  58           HG2      PRO  58 -11.284  -1.317   8.979
  371    HG3  PRO  58           HG3      PRO  58 -10.521  -0.303  10.251
  372    HD2  PRO  58           HD2      PRO  58  -9.792  -0.474   7.317
  373    HD3  PRO  58           HD3      PRO  58 -10.251   0.977   8.181
  374    H    SER  59           H        SER  59  -5.856  -2.749   9.456
  375    HA   SER  59           HA       SER  59  -4.898  -2.513   6.828
  376    HB2  SER  59           HB2      SER  59  -3.977  -5.030   7.826
  377    HB3  SER  59           HB3      SER  59  -3.098  -3.526   7.577
  378    HG   SER  59           HG       SER  59  -3.925  -2.875   9.720
  379    H    GLN  60           H        GLN  60  -7.388  -4.707   7.905
  380    HA   GLN  60           HA       GLN  60  -7.504  -6.482   5.686
  381    HB2  GLN  60           HB2      GLN  60  -9.934  -5.295   7.093
  382    HB3  GLN  60           HB3      GLN  60  -9.797  -6.827   6.240
  383    HG2  GLN  60           HG2      GLN  60  -9.671  -7.564   8.433
  384    HG3  GLN  60           HG3      GLN  60  -7.973  -7.381   8.075
  385   HE21  GLN  60          HE21      GLN  60  -6.852  -6.119   9.558
  386   HE22  GLN  60          HE22      GLN  60  -7.729  -5.276  10.841
  387    H    GLU  61           H        GLU  61  -8.683  -3.119   6.025
  388    HA   GLU  61           HA       GLU  61 -10.277  -3.125   3.595
  389    HB2  GLU  61           HB2      GLU  61 -10.630  -1.748   5.699
  390    HB3  GLU  61           HB3      GLU  61  -9.217  -0.776   5.221
  391    HG2  GLU  61           HG2      GLU  61 -10.353  -0.136   3.146
  392    HG3  GLU  61           HG3      GLU  61 -11.744  -1.139   3.613
  393    H    VAL  62           H        VAL  62  -7.035  -1.949   4.566
  394    HA   VAL  62           HA       VAL  62  -6.341  -0.819   2.030
  395    HB   VAL  62           HB       VAL  62  -4.357  -1.884   4.080
  396   HG11  VAL  62          HG11      VAL  62  -4.395   0.643   2.375
  397   HG12  VAL  62          HG12      VAL  62  -3.030   0.042   3.351
  398   HG13  VAL  62          HG13      VAL  62  -3.569  -0.855   1.925
  399   HG21  VAL  62          HG21      VAL  62  -5.923   0.686   4.393
  400   HG22  VAL  62          HG22      VAL  62  -5.841  -0.691   5.527
  401   HG23  VAL  62          HG23      VAL  62  -4.421   0.290   5.267
  402    H    GLN  63           H        GLN  63  -5.766  -4.053   3.534
  403    HA   GLN  63           HA       GLN  63  -4.154  -5.189   1.494
  404    HB2  GLN  63           HB2      GLN  63  -4.664  -6.286   3.646
  405    HB3  GLN  63           HB3      GLN  63  -6.338  -6.482   3.165
  406    HG2  GLN  63           HG2      GLN  63  -5.641  -7.891   1.240
  407    HG3  GLN  63           HG3      GLN  63  -3.946  -7.693   1.708
  408   HE21  GLN  63          HE21      GLN  63  -6.765  -9.565   2.166
  409   HE22  GLN  63          HE22      GLN  63  -6.172 -10.533   3.522
  410    H    ALA  64           H        ALA  64  -7.764  -4.854   1.574
  411    HA   ALA  64           HA       ALA  64  -7.966  -6.289  -0.960
  412    HB1  ALA  64           HB1      ALA  64  -9.995  -4.697   0.683
  413    HB2  ALA  64           HB2      ALA  64 -10.385  -5.721  -0.717
  414    HB3  ALA  64           HB3      ALA  64  -9.723  -6.448   0.758
  415    H    LEU  65           H        LEU  65  -7.680  -2.885   0.065
  416    HA   LEU  65           HA       LEU  65  -8.315  -1.710  -2.438
  417    HB2  LEU  65           HB2      LEU  65  -6.867  -0.794   0.011
  418    HB3  LEU  65           HB3      LEU  65  -6.868   0.203  -1.419
  419    HG   LEU  65           HG       LEU  65  -9.426  -0.802  -0.094
  420   HD11  LEU  65          HD11      LEU  65  -8.185   0.659   1.444
  421   HD12  LEU  65          HD12      LEU  65  -9.621   1.477   0.824
  422   HD13  LEU  65          HD13      LEU  65  -8.024   1.890   0.162
  423   HD21  LEU  65          HD21      LEU  65 -10.479   1.014  -1.393
  424   HD22  LEU  65          HD22      LEU  65  -9.751  -0.183  -2.446
  425   HD23  LEU  65          HD23      LEU  65  -8.921   1.368  -2.170
  426    H    LEU  66           H        LEU  66  -5.289  -2.771  -1.020
  427    HA   LEU  66           HA       LEU  66  -3.536  -2.126  -3.232
  428    HB2  LEU  66           HB2      LEU  66  -3.378  -4.048  -0.878
  429    HB3  LEU  66           HB3      LEU  66  -2.065  -3.839  -2.028
  430    HG   LEU  66           HG       LEU  66  -3.160  -1.399  -0.603
  431   HD11  LEU  66          HD11      LEU  66  -1.118  -3.370   0.493
  432   HD12  LEU  66          HD12      LEU  66  -2.709  -2.998   1.197
  433   HD13  LEU  66          HD13      LEU  66  -1.460  -1.755   1.159
  434   HD21  LEU  66          HD21      LEU  66  -0.413  -2.192  -1.677
  435   HD22  LEU  66          HD22      LEU  66  -0.804  -0.657  -0.887
  436   HD23  LEU  66          HD23      LEU  66  -1.553  -1.061  -2.443
  437    H    GLU  67           H        GLU  67  -5.196  -5.186  -2.244
  438    HA   GLU  67           HA       GLU  67  -4.477  -6.744  -4.516
  439    HB2  GLU  67           HB2      GLU  67  -6.784  -6.727  -2.555
  440    HB3  GLU  67           HB3      GLU  67  -6.808  -7.851  -3.852
  441    HG2  GLU  67           HG2      GLU  67  -4.303  -8.388  -3.009
  442    HG3  GLU  67           HG3      GLU  67  -4.896  -7.729  -1.508
  443    H    GLY  68           H        GLY  68  -7.043  -4.324  -4.180
  444    HA2  GLY  68           HA2      GLY  68  -8.339  -4.678  -6.691
  445    HA3  GLY  68           HA3      GLY  68  -8.293  -3.199  -5.722
  446    H    THR  69           H        THR  69  -5.102  -3.616  -6.196
  447    HA   THR  69           HA       THR  69  -4.931  -1.919  -8.589
  448    HB   THR  69           HB       THR  69  -2.490  -1.905  -8.192
  449    HG1  THR  69           HG1      THR  69  -2.914  -3.671  -6.072
  450   HG21  THR  69          HG21      THR  69  -3.561  -0.308  -7.014
  451   HG22  THR  69          HG22      THR  69  -2.548  -1.096  -5.811
  452   HG23  THR  69          HG23      THR  69  -4.271  -1.421  -5.813
  453    H    GLY  70           H        GLY  70  -5.387  -5.210  -8.201
  454    HA2  GLY  70           HA2      GLY  70  -5.824  -6.642  -9.991
  455    HA3  GLY  70           HA3      GLY  70  -4.818  -5.676 -11.070
  456    H    ARG  71           H        ARG  71  -3.372  -6.407  -8.081
  457    HA   ARG  71           HA       ARG  71  -1.978  -8.880  -8.870
  458    HB2  ARG  71           HB2      ARG  71   0.234  -7.860  -8.376
  459    HB3  ARG  71           HB3      ARG  71  -0.540  -7.145  -9.777
  460    HG2  ARG  71           HG2      ARG  71  -1.270  -5.207  -8.367
  461    HG3  ARG  71           HG3      ARG  71  -0.521  -5.946  -6.955
  462    HD2  ARG  71           HD2      ARG  71   0.926  -4.216  -7.854
  463    HD3  ARG  71           HD3      ARG  71   1.677  -5.798  -8.019
  464    HE   ARG  71           HE       ARG  71   1.608  -5.604 -10.342
  465   HH11  ARG  71          HH11      ARG  71  -0.757  -3.260  -9.173
  466   HH12  ARG  71          HH12      ARG  71  -0.994  -2.681 -10.823
  467   HH21  ARG  71          HH21      ARG  71   1.271  -4.720 -12.251
  468   HH22  ARG  71          HH22      ARG  71   0.117  -3.398 -12.444
  469    H    GLN  72           H        GLN  72  -0.484  -9.490  -7.013
  470    HA   GLN  72           HA       GLN  72  -2.110  -9.517  -4.599
  471    HB2  GLN  72           HB2      GLN  72   0.455 -10.933  -5.370
  472    HB3  GLN  72           HB3      GLN  72  -0.265 -11.040  -3.766
  473    HG2  GLN  72           HG2      GLN  72  -2.485 -11.656  -5.086
  474    HG3  GLN  72           HG3      GLN  72  -1.368 -12.061  -6.395
  475   HE21  GLN  72          HE21      GLN  72  -1.912 -12.596  -2.873
  476   HE22  GLN  72          HE22      GLN  72  -1.395 -14.292  -2.904
  477    H    ALA  73           H        ALA  73  -1.592  -9.151  -2.639
  478    HA   ALA  73           HA       ALA  73   0.646  -7.432  -1.700
  479    HB1  ALA  73           HB1      ALA  73  -2.305  -6.754  -1.340
  480    HB2  ALA  73           HB2      ALA  73  -0.917  -5.887  -0.641
  481    HB3  ALA  73           HB3      ALA  73  -1.165  -5.899  -2.402
  482    H    VAL  74           H        VAL  74   1.285  -8.105   0.266
  483    HA   VAL  74           HA       VAL  74  -0.451  -9.732   2.074
  484    HB   VAL  74           HB       VAL  74   2.350 -10.452   1.111
  485   HG11  VAL  74          HG11      VAL  74   0.697 -11.722   3.347
  486   HG12  VAL  74          HG12      VAL  74   2.179 -12.413   2.652
  487   HG13  VAL  74          HG13      VAL  74   2.260 -10.891   3.534
  488   HG21  VAL  74          HG21      VAL  74  -0.310 -11.933   0.985
  489   HG22  VAL  74          HG22      VAL  74   0.581 -11.235  -0.387
  490   HG23  VAL  74          HG23      VAL  74   1.265 -12.604   0.491
  491    H    LEU  75           H        LEU  75  -0.326  -8.958   4.123
  492    HA   LEU  75           HA       LEU  75   1.384  -6.680   4.588
  493    HB2  LEU  75           HB2      LEU  75  -0.923  -6.811   5.230
  494    HB3  LEU  75           HB3      LEU  75  -0.586  -8.038   6.394
  495    HG   LEU  75           HG       LEU  75   0.548  -6.507   7.880
  496   HD11  LEU  75          HD11      LEU  75   0.922  -4.761   5.416
  497   HD12  LEU  75          HD12      LEU  75   2.107  -5.182   6.679
  498   HD13  LEU  75          HD13      LEU  75   0.867  -4.007   7.010
  499   HD21  LEU  75          HD21      LEU  75  -1.876  -6.031   7.404
  500   HD22  LEU  75          HD22      LEU  75  -1.259  -4.851   6.191
  501   HD23  LEU  75          HD23      LEU  75  -0.933  -4.594   7.943
  502    H    LYS  76           H        LYS  76   3.049  -6.427   5.810
  503    HA   LYS  76           HA       LYS  76   4.337  -8.838   7.034
  504    HB2  LYS  76           HB2      LYS  76   5.637  -6.349   5.894
  505    HB3  LYS  76           HB3      LYS  76   6.478  -7.648   6.713
  506    HG2  LYS  76           HG2      LYS  76   4.888  -7.929   4.120
  507    HG3  LYS  76           HG3      LYS  76   6.646  -7.850   4.265
  508    HD2  LYS  76           HD2      LYS  76   6.667  -9.926   5.571
  509    HD3  LYS  76           HD3      LYS  76   4.905 -10.082   5.380
  510    HE2  LYS  76           HE2      LYS  76   5.092 -10.269   2.986
  511    HE3  LYS  76           HE3      LYS  76   6.828  -9.916   3.035
  512    HZ1  LYS  76           HZ1      LYS  76   6.251 -12.326   2.842
  513    HZ2  LYS  76           HZ2      LYS  76   5.633 -12.302   4.352
  514    HZ3  LYS  76           HZ3      LYS  76   7.229 -11.989   4.117
  515    H    GLY  77           H        GLY  77   3.506  -5.481   7.758
  516    HA2  GLY  77           HA2      GLY  77   2.366  -6.087  10.097
  517    HA3  GLY  77           HA3      GLY  77   4.043  -5.811  10.612
  518    H    MET  78           H        MET  78   2.925  -4.220  11.883
  519    HA   MET  78           HA       MET  78   2.039  -1.739  10.557
  520    HB2  MET  78           HB2      MET  78   1.713  -2.777  13.403
  521    HB3  MET  78           HB3      MET  78   1.135  -1.234  12.784
  522    HG2  MET  78           HG2      MET  78  -0.761  -2.568  12.618
  523    HG3  MET  78           HG3      MET  78  -0.112  -2.596  10.987
  524    HE1  MET  78           HE1      MET  78  -2.276  -4.601  11.634
  525    HE2  MET  78           HE2      MET  78  -1.320  -4.513  10.140
  526    HE3  MET  78           HE3      MET  78  -1.571  -6.086  10.943
  527    H    GLY  79           H        GLY  79   4.146  -1.025   9.990
  528    HA2  GLY  79           HA2      GLY  79   5.842   0.473  10.204
  529    HA3  GLY  79           HA3      GLY  79   5.127   0.917  11.744
  Start of MODEL    5
    1    H    GLY   9           H        GLY   9 -10.142   4.715  11.275
    2    HA2  GLY   9           HA2      GLY   9 -10.184   4.975  14.214
    3    HA3  GLY   9           HA3      GLY   9  -9.101   3.985  13.238
    4    H    THR  10           H        THR  10  -7.142   4.650  13.925
    5    HA   THR  10           HA       THR  10  -6.418   7.515  13.696
    6    HB   THR  10           HB       THR  10  -6.850   7.089  16.021
    7    HG1  THR  10           HG1      THR  10  -5.338   8.377  16.314
    8   HG21  THR  10          HG21      THR  10  -5.323   5.633  17.354
    9   HG22  THR  10          HG22      THR  10  -4.736   4.916  15.835
   10   HG23  THR  10          HG23      THR  10  -6.439   4.746  16.310
   11    H    LEU  11           H        LEU  11  -4.393   8.073  13.274
   12    HA   LEU  11           HA       LEU  11  -3.467   6.624  11.052
   13    HB2  LEU  11           HB2      LEU  11  -3.361   9.218  11.834
   14    HB3  LEU  11           HB3      LEU  11  -1.738   8.720  12.284
   15    HG   LEU  11           HG       LEU  11  -1.758   9.903  10.205
   16   HD11  LEU  11          HD11      LEU  11  -0.508   8.550   8.793
   17   HD12  LEU  11          HD12      LEU  11  -1.187   7.034   9.454
   18   HD13  LEU  11          HD13      LEU  11  -0.104   8.036  10.441
   19   HD21  LEU  11          HD21      LEU  11  -3.923   9.518   9.321
   20   HD22  LEU  11          HD22      LEU  11  -3.654   7.766   9.218
   21   HD23  LEU  11          HD23      LEU  11  -2.768   8.843   8.150
   22    H    CYS  12           H        CYS  12  -1.883   5.297  10.667
   23    HA   CYS  12           HA       CYS  12   0.519   5.063  12.280
   24    HB2  CYS  12           HB2      CYS  12  -1.334   3.462  13.272
   25    HB3  CYS  12           HB3      CYS  12  -0.952   2.470  11.841
   26    HG   CYS  12           HG       CYS  12   0.329   1.536  13.887
   27    H    THR  13           H        THR  13   2.089   3.630  11.266
   28    HA   THR  13           HA       THR  13   2.002   3.533   8.276
   29    HB   THR  13           HB       THR  13   4.098   2.548  10.224
   30    HG1  THR  13           HG1      THR  13   5.121   4.363   9.988
   31   HG21  THR  13          HG21      THR  13   4.191   3.088   7.214
   32   HG22  THR  13          HG22      THR  13   4.347   1.497   8.002
   33   HG23  THR  13          HG23      THR  13   5.609   2.718   8.211
   34    H    LEU  14           H        LEU  14   1.395   1.784   7.215
   35    HA   LEU  14           HA       LEU  14   1.681  -0.952   8.446
   36    HB2  LEU  14           HB2      LEU  14  -0.460   0.312   6.841
   37    HB3  LEU  14           HB3      LEU  14  -0.015  -1.355   6.449
   38    HG   LEU  14           HG       LEU  14  -0.267  -0.596   9.391
   39   HD11  LEU  14          HD11      LEU  14  -2.569  -1.327   7.613
   40   HD12  LEU  14          HD12      LEU  14  -2.276   0.265   8.391
   41   HD13  LEU  14          HD13      LEU  14  -2.555  -1.166   9.408
   42   HD21  LEU  14          HD21      LEU  14  -0.802  -3.059   7.697
   43   HD22  LEU  14          HD22      LEU  14  -1.110  -2.977   9.437
   44   HD23  LEU  14          HD23      LEU  14   0.550  -2.840   8.831
   45    H    GLU  15           H        GLU  15   2.672  -2.438   7.487
   46    HA   GLU  15           HA       GLU  15   4.570  -1.624   5.301
   47    HB2  GLU  15           HB2      GLU  15   5.242  -3.456   7.634
   48    HB3  GLU  15           HB3      GLU  15   6.308  -2.899   6.343
   49    HG2  GLU  15           HG2      GLU  15   5.739  -0.520   7.140
   50    HG3  GLU  15           HG3      GLU  15   5.094  -1.270   8.592
   51    H    PHE  16           H        PHE  16   3.403  -2.437   3.647
   52    HA   PHE  16           HA       PHE  16   2.776  -5.365   3.627
   53    HB2  PHE  16           HB2      PHE  16   1.745  -2.971   2.065
   54    HB3  PHE  16           HB3      PHE  16   1.474  -4.587   1.500
   55    HD1  PHE  16           HD1      PHE  16  -0.090  -6.100   2.616
   56    HD2  PHE  16           HD2      PHE  16   0.585  -2.051   3.936
   57    HE1  PHE  16           HE1      PHE  16  -2.350  -6.066   3.675
   58    HE2  PHE  16           HE2      PHE  16  -1.635  -2.042   5.066
   59    HZ   PHE  16           HZ       PHE  16  -3.134  -4.025   4.850
   60    H    ALA  17           H        ALA  17   3.128  -6.594   1.790
   61    HA   ALA  17           HA       ALA  17   5.379  -5.797  -0.040
   62    HB1  ALA  17           HB1      ALA  17   6.109  -7.477   1.583
   63    HB2  ALA  17           HB2      ALA  17   4.731  -8.523   1.157
   64    HB3  ALA  17           HB3      ALA  17   6.002  -8.197  -0.032
   65    H    VAL  18           H        VAL  18   4.988  -5.970  -2.229
   66    HA   VAL  18           HA       VAL  18   2.407  -7.213  -3.139
   67    HB   VAL  18           HB       VAL  18   2.109  -5.197  -4.637
   68   HG11  VAL  18          HG11      VAL  18   1.912  -4.879  -1.609
   69   HG12  VAL  18          HG12      VAL  18   1.283  -3.681  -2.746
   70   HG13  VAL  18          HG13      VAL  18   0.647  -5.335  -2.762
   71   HG21  VAL  18          HG21      VAL  18   4.250  -4.023  -2.880
   72   HG22  VAL  18          HG22      VAL  18   4.321  -4.330  -4.612
   73   HG23  VAL  18          HG23      VAL  18   3.169  -3.133  -3.971
   74    H    GLN  19           H        GLN  19   2.202  -7.732  -5.352
   75    HA   GLN  19           HA       GLN  19   4.778  -8.693  -6.448
   76    HB2  GLN  19           HB2      GLN  19   2.816 -10.148  -5.999
   77    HB3  GLN  19           HB3      GLN  19   1.903  -9.298  -7.246
   78    HG2  GLN  19           HG2      GLN  19   3.455 -10.104  -8.970
   79    HG3  GLN  19           HG3      GLN  19   4.516 -10.799  -7.735
   80   HE21  GLN  19          HE21      GLN  19   1.159 -11.072  -9.079
   81   HE22  GLN  19          HE22      GLN  19   1.026 -12.786  -8.673
   82    H    MET  20           H        MET  20   5.737  -6.816  -7.358
   83    HA   MET  20           HA       MET  20   4.827  -6.238 -10.111
   84    HB2  MET  20           HB2      MET  20   5.284  -3.778  -9.775
   85    HB3  MET  20           HB3      MET  20   3.811  -4.378  -9.024
   86    HG2  MET  20           HG2      MET  20   4.682  -4.272  -6.859
   87    HG3  MET  20           HG3      MET  20   6.360  -4.239  -7.405
   88    HE1  MET  20           HE1      MET  20   4.285  -2.004  -5.406
   89    HE2  MET  20           HE2      MET  20   5.936  -2.663  -5.260
   90    HE3  MET  20           HE3      MET  20   5.685  -0.904  -5.422
   91    H    THR  21           H        THR  21   6.460  -5.160 -11.462
   92    HA   THR  21           HA       THR  21   9.274  -5.726 -10.631
   93    HB   THR  21           HB       THR  21   9.522  -6.860 -12.923
   94    HG1  THR  21           HG1      THR  21   7.721  -6.598 -13.951
   95   HG21  THR  21          HG21      THR  21   7.850  -8.264 -10.813
   96   HG22  THR  21          HG22      THR  21   9.621  -8.115 -10.810
   97   HG23  THR  21          HG23      THR  21   8.812  -9.032 -12.090
   98    H    CYS  22           H        CYS  22   7.298  -3.530 -12.561
   99    HA   CYS  22           HA       CYS  22   9.829  -2.112 -13.055
  100    HB2  CYS  22           HB2      CYS  22   9.487  -1.736 -15.367
  101    HB3  CYS  22           HB3      CYS  22   9.585  -3.408 -15.025
  102    H    GLN  23           H        GLN  23   9.473   0.104 -14.049
  103    HA   GLN  23           HA       GLN  23   8.753   1.342 -11.633
  104    HB2  GLN  23           HB2      GLN  23   9.590   2.728 -14.185
  105    HB3  GLN  23           HB3      GLN  23   9.721   3.341 -12.545
  106    HG2  GLN  23           HG2      GLN  23  11.336   1.175 -13.883
  107    HG3  GLN  23           HG3      GLN  23  11.887   2.650 -13.114
  108   HE21  GLN  23          HE21      GLN  23  10.719   2.428 -10.463
  109   HE22  GLN  23          HE22      GLN  23  11.539   1.056  -9.758
  110    H    SER  24           H        SER  24   6.792   1.351 -14.593
  111    HA   SER  24           HA       SER  24   5.101   3.573 -13.648
  112    HB2  SER  24           HB2      SER  24   4.504   1.431 -15.706
  113    HB3  SER  24           HB3      SER  24   3.603   2.931 -15.461
  114    HG   SER  24           HG       SER  24   5.304   2.729 -17.188
  115    H    CYS  25           H        CYS  25   5.106   0.058 -13.077
  116    HA   CYS  25           HA       CYS  25   2.350  -0.038 -12.249
  117    HB2  CYS  25           HB2      CYS  25   4.692  -1.924 -11.795
  118    HB3  CYS  25           HB3      CYS  25   2.984  -2.292 -11.546
  119    H    VAL  26           H        VAL  26   5.415   0.460 -10.587
  120    HA   VAL  26           HA       VAL  26   4.785   0.681  -7.856
  121    HB   VAL  26           HB       VAL  26   6.430   2.799  -9.292
  122   HG11  VAL  26          HG11      VAL  26   8.015   2.361  -7.467
  123   HG12  VAL  26          HG12      VAL  26   6.401   2.660  -6.766
  124   HG13  VAL  26          HG13      VAL  26   7.048   0.989  -6.925
  125   HG21  VAL  26          HG21      VAL  26   7.014   0.871 -10.526
  126   HG22  VAL  26          HG22      VAL  26   8.315   1.215  -9.390
  127   HG23  VAL  26          HG23      VAL  26   7.147  -0.108  -9.058
  128    H    ASP  27           H        ASP  27   4.424   3.226 -10.390
  129    HA   ASP  27           HA       ASP  27   2.958   4.983  -8.607
  130    HB2  ASP  27           HB2      ASP  27   3.844   5.063 -11.442
  131    HB3  ASP  27           HB3      ASP  27   2.378   5.961 -11.045
  132    H    ALA  28           H        ALA  28   1.965   2.341 -10.724
  133    HA   ALA  28           HA       ALA  28  -0.846   3.112 -10.715
  134    HB1  ALA  28           HB1      ALA  28   0.166   1.506 -12.355
  135    HB2  ALA  28           HB2      ALA  28   0.293   0.306 -11.056
  136    HB3  ALA  28           HB3      ALA  28  -1.293   0.907 -11.556
  137    H    VAL  29           H        VAL  29   1.144   0.972  -8.594
  138    HA   VAL  29           HA       VAL  29  -1.061   0.369  -6.870
  139    HB   VAL  29           HB       VAL  29   1.939   0.029  -6.454
  140   HG11  VAL  29          HG11      VAL  29  -0.370  -1.553  -5.295
  141   HG12  VAL  29          HG12      VAL  29   1.345  -1.717  -4.894
  142   HG13  VAL  29          HG13      VAL  29   0.471  -0.250  -4.402
  143   HG21  VAL  29          HG21      VAL  29   1.702  -2.263  -7.240
  144   HG22  VAL  29          HG22      VAL  29  -0.051  -2.083  -7.438
  145   HG23  VAL  29          HG23      VAL  29   1.041  -1.245  -8.515
  146    H    ARG  30           H        ARG  30   1.451   2.907  -6.840
  147    HA   ARG  30           HA       ARG  30   0.715   4.048  -4.270
  148    HB2  ARG  30           HB2      ARG  30   1.803   5.291  -6.863
  149    HB3  ARG  30           HB3      ARG  30   1.649   6.184  -5.374
  150    HG2  ARG  30           HG2      ARG  30   3.415   5.148  -4.328
  151    HG3  ARG  30           HG3      ARG  30   3.332   3.687  -5.310
  152    HD2  ARG  30           HD2      ARG  30   4.468   4.653  -7.136
  153    HD3  ARG  30           HD3      ARG  30   4.082   6.304  -6.622
  154    HE   ARG  30           HE       ARG  30   5.659   5.375  -4.592
  155   HH11  ARG  30          HH11      ARG  30   6.209   5.802  -8.076
  156   HH12  ARG  30          HH12      ARG  30   7.947   5.777  -7.833
  157   HH21  ARG  30          HH21      ARG  30   7.871   5.640  -4.431
  158   HH22  ARG  30          HH22      ARG  30   8.752   6.054  -5.868
  159    H    LYS  31           H        LYS  31  -0.632   4.450  -7.568
  160    HA   LYS  31           HA       LYS  31  -2.404   6.554  -6.714
  161    HB2  LYS  31           HB2      LYS  31  -2.020   5.111  -9.329
  162    HB3  LYS  31           HB3      LYS  31  -3.328   6.298  -9.082
  163    HG2  LYS  31           HG2      LYS  31  -1.788   7.955  -8.239
  164    HG3  LYS  31           HG3      LYS  31  -0.423   6.830  -8.304
  165    HD2  LYS  31           HD2      LYS  31  -0.576   6.851 -10.786
  166    HD3  LYS  31           HD3      LYS  31  -1.895   8.062 -10.662
  167    HE2  LYS  31           HE2      LYS  31  -0.358   9.397  -9.118
  168    HE3  LYS  31           HE3      LYS  31   0.925   8.258  -9.500
  169    HZ1  LYS  31           HZ1      LYS  31   1.179  10.114 -10.931
  170    HZ2  LYS  31           HZ2      LYS  31  -0.385  10.143 -11.390
  171    HZ3  LYS  31           HZ3      LYS  31   0.569   8.913 -11.898
  172    H    SER  32           H        SER  32  -2.885   3.110  -6.693
  173    HA   SER  32           HA       SER  32  -5.734   3.322  -6.113
  174    HB2  SER  32           HB2      SER  32  -4.551   1.276  -6.906
  175    HB3  SER  32           HB3      SER  32  -3.885   1.073  -5.276
  176    HG   SER  32           HG       SER  32  -5.790   0.192  -4.796
  177    H    LEU  33           H        LEU  33  -3.005   4.314  -4.331
  178    HA   LEU  33           HA       LEU  33  -4.475   4.350  -1.722
  179    HB2  LEU  33           HB2      LEU  33  -1.576   5.057  -2.270
  180    HB3  LEU  33           HB3      LEU  33  -2.317   4.704  -0.720
  181    HG   LEU  33           HG       LEU  33  -1.983   2.589  -2.896
  182   HD11  LEU  33          HD11      LEU  33   0.008   1.827  -1.757
  183   HD12  LEU  33          HD12      LEU  33  -0.118   3.140  -0.563
  184   HD13  LEU  33          HD13      LEU  33   0.239   3.506  -2.255
  185   HD21  LEU  33          HD21      LEU  33  -3.611   2.112  -1.097
  186   HD22  LEU  33          HD22      LEU  33  -2.315   2.364   0.114
  187   HD23  LEU  33          HD23      LEU  33  -2.196   1.047  -1.075
  188    H    GLN  34           H        GLN  34  -3.296   6.396  -4.290
  189    HA   GLN  34           HA       GLN  34  -3.486   8.878  -2.814
  190    HB2  GLN  34           HB2      GLN  34  -3.021   8.102  -5.671
  191    HB3  GLN  34           HB3      GLN  34  -3.406   9.752  -5.327
  192    HG2  GLN  34           HG2      GLN  34  -1.523  10.042  -3.856
  193    HG3  GLN  34           HG3      GLN  34  -1.245   8.312  -3.773
  194   HE21  GLN  34          HE21      GLN  34   0.974   8.498  -4.541
  195   HE22  GLN  34          HE22      GLN  34   1.287   8.845  -6.238
  196    H    GLY  35           H        GLY  35  -5.038  10.251  -2.622
  197    HA2  GLY  35           HA2      GLY  35  -7.181  11.150  -2.581
  198    HA3  GLY  35           HA3      GLY  35  -7.534  10.320  -4.100
  199    H    VAL  36           H        VAL  36  -6.547   8.454  -1.250
  200    HA   VAL  36           HA       VAL  36  -9.296   7.323  -0.964
  201    HB   VAL  36           HB       VAL  36  -6.622   6.293   0.029
  202   HG11  VAL  36          HG11      VAL  36  -9.377   4.988   0.136
  203   HG12  VAL  36          HG12      VAL  36  -7.844   4.271   0.666
  204   HG13  VAL  36          HG13      VAL  36  -8.506   5.646   1.542
  205   HG21  VAL  36          HG21      VAL  36  -7.033   4.452  -1.589
  206   HG22  VAL  36          HG22      VAL  36  -8.470   5.300  -2.189
  207   HG23  VAL  36          HG23      VAL  36  -6.855   6.008  -2.404
  208    H    ALA  37           H        ALA  37 -10.533   8.181   0.587
  209    HA   ALA  37           HA       ALA  37  -9.579   9.883   2.664
  210    HB1  ALA  37           HB1      ALA  37 -12.200   8.384   2.310
  211    HB2  ALA  37           HB2      ALA  37 -11.895   9.588   3.586
  212    HB3  ALA  37           HB3      ALA  37 -11.836  10.076   1.890
  213    H    GLY  38           H        GLY  38  -8.554   9.442   4.442
  214    HA2  GLY  38           HA2      GLY  38  -8.237   8.323   6.549
  215    HA3  GLY  38           HA3      GLY  38  -8.712   6.792   5.811
  216    H    VAL  39           H        VAL  39  -6.800   8.205   3.476
  217    HA   VAL  39           HA       VAL  39  -4.218   7.152   4.594
  218    HB   VAL  39           HB       VAL  39  -5.035   7.634   1.720
  219   HG11  VAL  39          HG11      VAL  39  -2.504   6.390   2.928
  220   HG12  VAL  39          HG12      VAL  39  -2.906   6.425   1.198
  221   HG13  VAL  39          HG13      VAL  39  -2.590   7.933   2.053
  222   HG21  VAL  39          HG21      VAL  39  -6.169   5.640   2.644
  223   HG22  VAL  39          HG22      VAL  39  -4.914   5.163   1.501
  224   HG23  VAL  39          HG23      VAL  39  -4.620   5.016   3.246
  225    H    GLN  40           H        GLN  40  -2.652   8.524   5.045
  226    HA   GLN  40           HA       GLN  40  -2.989  11.424   4.403
  227    HB2  GLN  40           HB2      GLN  40  -1.600   9.833   6.576
  228    HB3  GLN  40           HB3      GLN  40  -1.029  11.437   6.226
  229    HG2  GLN  40           HG2      GLN  40  -3.922  10.783   6.967
  230    HG3  GLN  40           HG3      GLN  40  -2.692  11.461   8.055
  231   HE21  GLN  40          HE21      GLN  40  -1.658  13.525   7.360
  232   HE22  GLN  40          HE22      GLN  40  -2.630  14.645   6.386
  233    H    ASP  41           H        ASP  41  -0.521   8.849   4.345
  234    HA   ASP  41           HA       ASP  41   0.855  10.093   2.069
  235    HB2  ASP  41           HB2      ASP  41   2.094   9.791   4.819
  236    HB3  ASP  41           HB3      ASP  41   3.079   9.725   3.404
  237    H    VAL  42           H        VAL  42   2.588   8.700   1.343
  238    HA   VAL  42           HA       VAL  42   2.472   5.849   2.037
  239    HB   VAL  42           HB       VAL  42   2.184   5.141  -0.258
  240   HG11  VAL  42          HG11      VAL  42  -0.191   5.503  -0.494
  241   HG12  VAL  42          HG12      VAL  42   0.201   5.277   1.217
  242   HG13  VAL  42          HG13      VAL  42  -0.152   6.900   0.579
  243   HG21  VAL  42          HG21      VAL  42   1.589   8.036  -0.966
  244   HG22  VAL  42          HG22      VAL  42   2.917   7.018  -1.582
  245   HG23  VAL  42          HG23      VAL  42   1.253   6.635  -2.003
  246    H    GLU  43           H        GLU  43   4.262   4.635   1.170
  247    HA   GLU  43           HA       GLU  43   6.281   6.066  -0.388
  248    HB2  GLU  43           HB2      GLU  43   6.946   6.668   1.888
  249    HB3  GLU  43           HB3      GLU  43   7.023   4.972   2.364
  250    HG2  GLU  43           HG2      GLU  43   8.877   4.553   0.975
  251    HG3  GLU  43           HG3      GLU  43   8.590   5.985  -0.004
  252    H    VAL  44           H        VAL  44   7.140   4.701  -1.897
  253    HA   VAL  44           HA       VAL  44   6.572   1.734  -1.647
  254    HB   VAL  44           HB       VAL  44   5.938   3.511  -3.982
  255   HG11  VAL  44          HG11      VAL  44   6.887   1.320  -4.686
  256   HG12  VAL  44          HG12      VAL  44   5.716   0.498  -3.631
  257   HG13  VAL  44          HG13      VAL  44   5.158   1.462  -5.029
  258   HG21  VAL  44          HG21      VAL  44   3.679   2.378  -3.499
  259   HG22  VAL  44          HG22      VAL  44   4.395   1.926  -1.930
  260   HG23  VAL  44          HG23      VAL  44   4.207   3.635  -2.347
  261    H    HIS  45           H        HIS  45   8.107   0.496  -1.963
  262    HA   HIS  45           HA       HIS  45  10.710   1.390  -3.147
  263    HB2  HIS  45           HB2      HIS  45   9.968  -0.167  -0.658
  264    HB3  HIS  45           HB3      HIS  45  11.580  -0.289  -1.374
  265    HD1  HIS  45           HD1      HIS  45  13.298   1.517  -0.788
  266    HD2  HIS  45           HD2      HIS  45   9.363   2.425   0.361
  267    HE1  HIS  45           HE1      HIS  45  13.455   3.624   0.631
  268    H    LEU  46           H        LEU  46  10.239   0.494  -5.186
  269    HA   LEU  46           HA       LEU  46   9.514  -2.195  -5.727
  270    HB2  LEU  46           HB2      LEU  46   9.569  -0.380  -7.244
  271    HB3  LEU  46           HB3      LEU  46  11.273  -0.229  -7.193
  272    HG   LEU  46           HG       LEU  46  11.665  -1.923  -8.711
  273   HD11  LEU  46          HD11      LEU  46   9.207  -3.405  -7.650
  274   HD12  LEU  46          HD12      LEU  46  10.921  -3.941  -7.623
  275   HD13  LEU  46          HD13      LEU  46  10.074  -3.859  -9.137
  276   HD21  LEU  46          HD21      LEU  46   9.831  -2.006 -10.341
  277   HD22  LEU  46          HD22      LEU  46   9.846  -0.403  -9.598
  278   HD23  LEU  46          HD23      LEU  46   8.673  -1.620  -9.027
  279    H    GLU  47           H        GLU  47  12.592  -0.732  -4.916
  280    HA   GLU  47           HA       GLU  47  14.201  -3.127  -5.137
  281    HB2  GLU  47           HB2      GLU  47  14.660  -0.478  -3.776
  282    HB3  GLU  47           HB3      GLU  47  15.866  -1.768  -3.724
  283    HG2  GLU  47           HG2      GLU  47  16.255  -1.723  -6.033
  284    HG3  GLU  47           HG3      GLU  47  14.697  -0.995  -6.406
  285    H    ASP  48           H        ASP  48  11.812  -2.572  -2.780
  286    HA   ASP  48           HA       ASP  48  12.789  -5.031  -1.412
  287    HB2  ASP  48           HB2      ASP  48  11.888  -2.461  -0.272
  288    HB3  ASP  48           HB3      ASP  48  10.847  -3.741   0.196
  289    H    GLN  49           H        GLN  49  10.683  -3.919  -3.685
  290    HA   GLN  49           HA       GLN  49   8.551  -3.975  -4.261
  291    HB2  GLN  49           HB2      GLN  49   8.571  -6.830  -3.294
  292    HB3  GLN  49           HB3      GLN  49   7.443  -6.084  -4.425
  293    HG2  GLN  49           HG2      GLN  49   8.777  -7.131  -5.927
  294    HG3  GLN  49           HG3      GLN  49   9.557  -5.561  -5.880
  295   HE21  GLN  49          HE21      GLN  49  11.741  -5.490  -5.220
  296   HE22  GLN  49          HE22      GLN  49  12.617  -6.869  -4.575
  297    H    MET  50           H        MET  50   8.969  -2.844  -1.746
  298    HA   MET  50           HA       MET  50   6.726  -3.750  -0.041
  299    HB2  MET  50           HB2      MET  50   8.804  -3.648   1.096
  300    HB3  MET  50           HB3      MET  50   9.132  -2.012   0.521
  301    HG2  MET  50           HG2      MET  50   7.953  -1.021   2.132
  302    HG3  MET  50           HG3      MET  50   6.670  -2.201   2.177
  303    HE1  MET  50           HE1      MET  50   6.606  -4.384   3.621
  304    HE2  MET  50           HE2      MET  50   8.059  -4.964   2.765
  305    HE3  MET  50           HE3      MET  50   7.999  -4.988   4.538
  306    H    VAL  51           H        VAL  51   5.104  -2.465   0.609
  307    HA   VAL  51           HA       VAL  51   4.750   0.243  -0.501
  308    HB   VAL  51           HB       VAL  51   2.200  -0.695  -0.200
  309   HG11  VAL  51          HG11      VAL  51   4.014  -1.228  -2.593
  310   HG12  VAL  51          HG12      VAL  51   2.226  -1.312  -2.618
  311   HG13  VAL  51          HG13      VAL  51   3.032   0.226  -2.315
  312   HG21  VAL  51          HG21      VAL  51   1.807  -2.854  -0.655
  313   HG22  VAL  51          HG22      VAL  51   3.508  -3.194  -1.116
  314   HG23  VAL  51          HG23      VAL  51   3.092  -2.870   0.538
  315    H    LEU  52           H        LEU  52   4.951   1.622   1.102
  316    HA   LEU  52           HA       LEU  52   3.874   0.977   3.782
  317    HB2  LEU  52           HB2      LEU  52   5.570   3.341   2.898
  318    HB3  LEU  52           HB3      LEU  52   4.930   3.078   4.494
  319    HG   LEU  52           HG       LEU  52   7.067   2.344   4.789
  320   HD11  LEU  52          HD11      LEU  52   7.231  -0.005   5.003
  321   HD12  LEU  52          HD12      LEU  52   6.006  -0.280   3.745
  322   HD13  LEU  52          HD13      LEU  52   5.542   0.470   5.284
  323   HD21  LEU  52          HD21      LEU  52   7.891   2.683   2.525
  324   HD22  LEU  52          HD22      LEU  52   7.176   1.145   2.007
  325   HD23  LEU  52          HD23      LEU  52   8.502   1.163   3.195
  326    H    VAL  53           H        VAL  53   2.293   1.977   4.682
  327    HA   VAL  53           HA       VAL  53   0.813   4.058   3.149
  328    HB   VAL  53           HB       VAL  53  -0.617   1.622   4.255
  329   HG11  VAL  53          HG11      VAL  53  -1.869   3.796   3.995
  330   HG12  VAL  53          HG12      VAL  53  -1.457   3.794   2.273
  331   HG13  VAL  53          HG13      VAL  53  -2.488   2.515   2.945
  332   HG21  VAL  53          HG21      VAL  53  -0.981   0.946   1.876
  333   HG22  VAL  53          HG22      VAL  53   0.274   2.117   1.403
  334   HG23  VAL  53          HG23      VAL  53   0.680   0.733   2.437
  335    H    HIS  54           H        HIS  54   0.975   5.679   4.496
  336    HA   HIS  54           HA       HIS  54   0.686   5.401   7.407
  337    HB2  HIS  54           HB2      HIS  54   0.945   7.900   5.716
  338    HB3  HIS  54           HB3      HIS  54   1.120   7.802   7.437
  339    HD1  HIS  54           HD1      HIS  54   3.500   7.226   8.378
  340    HD2  HIS  54           HD2      HIS  54   2.976   6.398   4.300
  341    HE1  HIS  54           HE1      HIS  54   5.816   6.695   7.448
  342    H    THR  55           H        THR  55  -1.407   4.819   7.948
  343    HA   THR  55           HA       THR  55  -3.685   6.429   6.920
  344    HB   THR  55           HB       THR  55  -3.326   4.728   5.256
  345    HG1  THR  55           HG1      THR  55  -5.471   5.305   5.925
  346   HG21  THR  55          HG21      THR  55  -2.261   2.930   6.671
  347   HG22  THR  55          HG22      THR  55  -3.587   2.359   5.651
  348   HG23  THR  55          HG23      THR  55  -3.855   2.610   7.387
  349    H    THR  56           H        THR  56  -5.635   6.264   7.958
  350    HA   THR  56           HA       THR  56  -5.679   5.280  10.743
  351    HB   THR  56           HB       THR  56  -7.831   6.465  10.845
  352    HG1  THR  56           HG1      THR  56  -8.233   7.765   8.853
  353   HG21  THR  56          HG21      THR  56  -5.660   7.829  11.019
  354   HG22  THR  56          HG22      THR  56  -7.146   8.706  10.659
  355   HG23  THR  56          HG23      THR  56  -5.993   8.355   9.357
  356    H    LEU  57           H        LEU  57  -6.413   4.001   7.695
  357    HA   LEU  57           HA       LEU  57  -8.857   2.568   8.285
  358    HB2  LEU  57           HB2      LEU  57  -6.750   2.232   6.110
  359    HB3  LEU  57           HB3      LEU  57  -8.312   1.445   6.082
  360    HG   LEU  57           HG       LEU  57  -7.826   4.461   5.932
  361   HD11  LEU  57          HD11      LEU  57  -8.834   2.480   3.853
  362   HD12  LEU  57          HD12      LEU  57  -7.211   3.212   3.892
  363   HD13  LEU  57          HD13      LEU  57  -8.639   4.231   3.637
  364   HD21  LEU  57          HD21      LEU  57  -9.962   4.071   7.050
  365   HD22  LEU  57          HD22      LEU  57 -10.422   2.892   5.800
  366   HD23  LEU  57          HD23      LEU  57 -10.242   4.611   5.391
  367    HA   PRO  58           HA       PRO  58  -7.032  -1.092  10.087
  368    HB2  PRO  58           HB2      PRO  58  -9.082  -2.854   8.952
  369    HB3  PRO  58           HB3      PRO  58  -8.906  -2.302  10.638
  370    HG2  PRO  58           HG2      PRO  58 -10.995  -1.490   9.006
  371    HG3  PRO  58           HG3      PRO  58 -10.298  -0.436  10.281
  372    HD2  PRO  58           HD2      PRO  58  -9.545  -0.568   7.359
  373    HD3  PRO  58           HD3      PRO  58 -10.063   0.856   8.211
  374    H    SER  59           H        SER  59  -5.575  -2.817   9.412
  375    HA   SER  59           HA       SER  59  -4.608  -2.647   6.774
  376    HB2  SER  59           HB2      SER  59  -3.904  -5.240   7.832
  377    HB3  SER  59           HB3      SER  59  -2.921  -3.813   7.510
  378    HG   SER  59           HG       SER  59  -3.917  -4.819   9.874
  379    H    GLN  60           H        GLN  60  -7.061  -4.810   8.026
  380    HA   GLN  60           HA       GLN  60  -7.433  -6.624   5.911
  381    HB2  GLN  60           HB2      GLN  60  -9.543  -5.238   7.635
  382    HB3  GLN  60           HB3      GLN  60  -9.751  -6.722   6.714
  383    HG2  GLN  60           HG2      GLN  60  -9.454  -7.593   8.790
  384    HG3  GLN  60           HG3      GLN  60  -7.785  -7.627   8.264
  385   HE21  GLN  60          HE21      GLN  60  -9.792  -6.662  10.816
  386   HE22  GLN  60          HE22      GLN  60  -8.502  -5.764  11.600
  387    H    GLU  61           H        GLU  61  -8.428  -3.219   6.116
  388    HA   GLU  61           HA       GLU  61 -10.085  -3.254   3.685
  389    HB2  GLU  61           HB2      GLU  61 -10.497  -1.938   5.840
  390    HB3  GLU  61           HB3      GLU  61  -9.134  -0.900   5.348
  391    HG2  GLU  61           HG2      GLU  61 -10.276  -0.215   3.367
  392    HG3  GLU  61           HG3      GLU  61 -11.579  -1.379   3.678
  393    H    VAL  62           H        VAL  62  -6.882  -1.998   4.703
  394    HA   VAL  62           HA       VAL  62  -6.220  -0.778   2.221
  395    HB   VAL  62           HB       VAL  62  -4.153  -1.931   4.128
  396   HG11  VAL  62          HG11      VAL  62  -4.292   0.674   2.559
  397   HG12  VAL  62          HG12      VAL  62  -2.895   0.071   3.488
  398   HG13  VAL  62          HG13      VAL  62  -3.426  -0.779   2.031
  399   HG21  VAL  62          HG21      VAL  62  -4.194   0.126   5.467
  400   HG22  VAL  62          HG22      VAL  62  -5.692   0.639   4.633
  401   HG23  VAL  62          HG23      VAL  62  -5.647  -0.810   5.658
  402    H    GLN  63           H        GLN  63  -5.682  -4.104   3.503
  403    HA   GLN  63           HA       GLN  63  -4.017  -5.043   1.410
  404    HB2  GLN  63           HB2      GLN  63  -4.488  -6.356   3.449
  405    HB3  GLN  63           HB3      GLN  63  -6.164  -6.542   2.970
  406    HG2  GLN  63           HG2      GLN  63  -5.446  -7.757   0.896
  407    HG3  GLN  63           HG3      GLN  63  -3.748  -7.481   1.354
  408   HE21  GLN  63          HE21      GLN  63  -3.102  -9.584   1.470
  409   HE22  GLN  63          HE22      GLN  63  -3.724 -10.702   2.676
  410    H    ALA  64           H        ALA  64  -7.612  -4.685   1.431
  411    HA   ALA  64           HA       ALA  64  -7.802  -5.997  -1.168
  412    HB1  ALA  64           HB1      ALA  64  -9.605  -6.168   0.536
  413    HB2  ALA  64           HB2      ALA  64  -9.832  -4.408   0.504
  414    HB3  ALA  64           HB3      ALA  64 -10.214  -5.381  -0.933
  415    H    LEU  65           H        LEU  65  -7.491  -2.674   0.070
  416    HA   LEU  65           HA       LEU  65  -8.050  -1.279  -2.355
  417    HB2  LEU  65           HB2      LEU  65  -6.519  -0.616   0.135
  418    HB3  LEU  65           HB3      LEU  65  -6.554   0.478  -1.216
  419    HG   LEU  65           HG       LEU  65  -9.080  -0.555   0.157
  420   HD11  LEU  65          HD11      LEU  65  -9.143   1.714   1.199
  421   HD12  LEU  65          HD12      LEU  65  -7.501   2.003   0.567
  422   HD13  LEU  65          HD13      LEU  65  -7.798   0.717   1.761
  423   HD21  LEU  65          HD21      LEU  65  -8.596   1.777  -1.763
  424   HD22  LEU  65          HD22      LEU  65 -10.123   1.439  -0.923
  425   HD23  LEU  65          HD23      LEU  65  -9.516   0.298  -2.122
  426    H    LEU  66           H        LEU  66  -5.115  -2.586  -0.962
  427    HA   LEU  66           HA       LEU  66  -3.273  -1.940  -3.098
  428    HB2  LEU  66           HB2      LEU  66  -3.275  -3.951  -0.811
  429    HB3  LEU  66           HB3      LEU  66  -1.918  -3.779  -1.912
  430    HG   LEU  66           HG       LEU  66  -2.946  -1.347  -0.408
  431   HD11  LEU  66          HD11      LEU  66  -1.267  -1.831   1.349
  432   HD12  LEU  66          HD12      LEU  66  -0.979  -3.431   0.626
  433   HD13  LEU  66          HD13      LEU  66  -2.561  -3.022   1.331
  434   HD21  LEU  66          HD21      LEU  66  -0.568  -0.667  -0.651
  435   HD22  LEU  66          HD22      LEU  66  -1.323  -0.981  -2.225
  436   HD23  LEU  66          HD23      LEU  66  -0.228  -2.181  -1.512
  437    H    GLU  67           H        GLU  67  -5.113  -4.966  -2.314
  438    HA   GLU  67           HA       GLU  67  -4.195  -6.436  -4.574
  439    HB2  GLU  67           HB2      GLU  67  -6.467  -6.637  -2.619
  440    HB3  GLU  67           HB3      GLU  67  -6.640  -7.549  -4.052
  441    HG2  GLU  67           HG2      GLU  67  -3.970  -8.096  -3.180
  442    HG3  GLU  67           HG3      GLU  67  -4.941  -8.051  -1.722
  443    H    GLY  68           H        GLY  68  -6.889  -4.130  -4.363
  444    HA2  GLY  68           HA2      GLY  68  -8.163  -4.529  -6.822
  445    HA3  GLY  68           HA3      GLY  68  -7.989  -2.979  -6.001
  446    H    THR  69           H        THR  69  -4.934  -3.438  -6.423
  447    HA   THR  69           HA       THR  69  -4.603  -1.977  -8.904
  448    HB   THR  69           HB       THR  69  -2.175  -2.141  -8.376
  449    HG1  THR  69           HG1      THR  69  -2.749  -3.694  -6.146
  450   HG21  THR  69          HG21      THR  69  -3.987  -1.522  -6.019
  451   HG22  THR  69          HG22      THR  69  -3.274  -0.441  -7.234
  452   HG23  THR  69          HG23      THR  69  -2.263  -1.253  -6.039
  453    H    GLY  70           H        GLY  70  -5.244  -5.227  -8.340
  454    HA2  GLY  70           HA2      GLY  70  -5.625  -6.846  -9.972
  455    HA3  GLY  70           HA3      GLY  70  -4.581  -6.001 -11.123
  456    H    ARG  71           H        ARG  71  -3.419  -6.506  -7.892
  457    HA   ARG  71           HA       ARG  71  -1.486  -8.625  -8.698
  458    HB2  ARG  71           HB2      ARG  71  -0.940  -5.964  -7.290
  459    HB3  ARG  71           HB3      ARG  71   0.260  -7.210  -7.650
  460    HG2  ARG  71           HG2      ARG  71  -0.040  -6.873 -10.053
  461    HG3  ARG  71           HG3      ARG  71  -1.320  -5.681  -9.781
  462    HD2  ARG  71           HD2      ARG  71   0.148  -4.134  -8.737
  463    HD3  ARG  71           HD3      ARG  71   1.471  -5.293  -8.699
  464    HE   ARG  71           HE       ARG  71   0.576  -3.667 -10.983
  465   HH11  ARG  71          HH11      ARG  71   2.389  -6.636 -10.290
  466   HH12  ARG  71          HH12      ARG  71   2.934  -6.705 -11.951
  467   HH21  ARG  71          HH21      ARG  71   1.390  -3.815 -12.922
  468   HH22  ARG  71          HH22      ARG  71   2.321  -5.227 -13.416
  469    H    GLN  72           H        GLN  72  -0.383  -9.502  -6.799
  470    HA   GLN  72           HA       GLN  72  -2.140  -9.805  -4.473
  471    HB2  GLN  72           HB2      GLN  72   0.117 -11.254  -5.586
  472    HB3  GLN  72           HB3      GLN  72   0.369 -10.991  -3.879
  473    HG2  GLN  72           HG2      GLN  72  -2.294 -12.065  -4.898
  474    HG3  GLN  72           HG3      GLN  72  -0.908 -13.124  -4.656
  475   HE21  GLN  72          HE21      GLN  72  -3.335 -11.138  -2.948
  476   HE22  GLN  72          HE22      GLN  72  -2.895 -11.748  -1.368
  477    H    ALA  73           H        ALA  73  -1.531  -9.494  -2.443
  478    HA   ALA  73           HA       ALA  73   0.374  -7.358  -1.617
  479    HB1  ALA  73           HB1      ALA  73  -1.413  -5.978  -0.681
  480    HB2  ALA  73           HB2      ALA  73  -1.647  -6.149  -2.437
  481    HB3  ALA  73           HB3      ALA  73  -2.656  -7.076  -1.309
  482    H    VAL  74           H        VAL  74   1.322  -8.398  -0.014
  483    HA   VAL  74           HA       VAL  74  -0.196 -10.041   1.985
  484    HB   VAL  74           HB       VAL  74   2.614 -10.304   0.869
  485   HG11  VAL  74          HG11      VAL  74   2.794 -10.732   3.262
  486   HG12  VAL  74          HG12      VAL  74   1.375 -11.809   3.207
  487   HG13  VAL  74          HG13      VAL  74   2.889 -12.254   2.385
  488   HG21  VAL  74          HG21      VAL  74   1.844 -12.590   0.259
  489   HG22  VAL  74          HG22      VAL  74   0.228 -12.199   0.893
  490   HG23  VAL  74          HG23      VAL  74   0.871 -11.339  -0.524
  491    H    LEU  75           H        LEU  75  -0.176  -9.198   3.977
  492    HA   LEU  75           HA       LEU  75   1.521  -6.912   4.594
  493    HB2  LEU  75           HB2      LEU  75  -0.785  -7.091   5.214
  494    HB3  LEU  75           HB3      LEU  75  -0.466  -8.419   6.272
  495    HG   LEU  75           HG       LEU  75   0.693  -7.032   7.872
  496   HD11  LEU  75          HD11      LEU  75   1.034  -4.481   7.213
  497   HD12  LEU  75          HD12      LEU  75   1.039  -5.079   5.558
  498   HD13  LEU  75          HD13      LEU  75   2.243  -5.619   6.748
  499   HD21  LEU  75          HD21      LEU  75  -1.759  -6.515   7.410
  500   HD22  LEU  75          HD22      LEU  75  -1.111  -5.187   6.382
  501   HD23  LEU  75          HD23      LEU  75  -0.795  -5.196   8.158
  502    H    LYS  76           H        LYS  76   3.186  -6.745   5.847
  503    HA   LYS  76           HA       LYS  76   4.527  -9.205   6.868
  504    HB2  LYS  76           HB2      LYS  76   5.820  -6.532   6.270
  505    HB3  LYS  76           HB3      LYS  76   6.607  -8.026   6.702
  506    HG2  LYS  76           HG2      LYS  76   5.081  -7.521   4.114
  507    HG3  LYS  76           HG3      LYS  76   6.823  -7.476   4.292
  508    HD2  LYS  76           HD2      LYS  76   5.076  -9.939   4.675
  509    HD3  LYS  76           HD3      LYS  76   5.968  -9.550   3.217
  510    HE2  LYS  76           HE2      LYS  76   7.249 -10.113   5.928
  511    HE3  LYS  76           HE3      LYS  76   7.052 -11.284   4.620
  512    HZ1  LYS  76           HZ1      LYS  76   8.436  -9.777   3.217
  513    HZ2  LYS  76           HZ2      LYS  76   9.226 -10.434   4.504
  514    HZ3  LYS  76           HZ3      LYS  76   8.761  -8.879   4.588
  515    H    GLY  77           H        GLY  77   3.654  -5.903   7.831
  516    HA2  GLY  77           HA2      GLY  77   2.536  -6.599  10.228
  517    HA3  GLY  77           HA3      GLY  77   4.213  -6.189  10.643
  518    H    MET  78           H        MET  78   2.849  -4.562  11.907
  519    HA   MET  78           HA       MET  78   2.214  -2.103  10.452
  520    HB2  MET  78           HB2      MET  78   2.156  -2.755  13.426
  521    HB3  MET  78           HB3      MET  78   1.675  -1.243  12.663
  522    HG2  MET  78           HG2      MET  78  -0.413  -2.243  12.746
  523    HG3  MET  78           HG3      MET  78   0.141  -2.787  11.190
  524    HE1  MET  78           HE1      MET  78  -1.158  -4.884  10.747
  525    HE2  MET  78           HE2      MET  78  -1.677  -6.018  12.014
  526    HE3  MET  78           HE3      MET  78  -2.183  -4.316  12.087
  527    H    GLY  79           H        GLY  79   3.322  -0.152  11.004
  528    HA2  GLY  79           HA2      GLY  79   6.188  -0.633  10.760
  529    HA3  GLY  79           HA3      GLY  79   5.442   0.918  10.575
  Start of MODEL    6
    1    H    GLY   9           H        GLY   9 -10.674   4.311  11.244
    2    HA2  GLY   9           HA2      GLY   9 -10.449   4.452  14.151
    3    HA3  GLY   9           HA3      GLY   9  -9.391   3.613  13.025
    4    H    THR  10           H        THR  10  -7.447   4.267  13.595
    5    HA   THR  10           HA       THR  10  -6.748   7.140  13.728
    6    HB   THR  10           HB       THR  10  -7.254   6.281  15.951
    7    HG1  THR  10           HG1      THR  10  -5.966   7.927  15.892
    8   HG21  THR  10          HG21      THR  10  -5.744   4.749  17.109
    9   HG22  THR  10          HG22      THR  10  -4.700   4.614  15.673
   10   HG23  THR  10          HG23      THR  10  -6.331   3.927  15.656
   11    H    LEU  11           H        LEU  11  -4.522   7.589  13.512
   12    HA   LEU  11           HA       LEU  11  -3.717   6.158  11.199
   13    HB2  LEU  11           HB2      LEU  11  -3.346   8.741  11.817
   14    HB3  LEU  11           HB3      LEU  11  -1.766   8.145  12.310
   15    HG   LEU  11           HG       LEU  11  -2.043   6.849   9.897
   16   HD11  LEU  11          HD11      LEU  11  -3.467   9.499   9.633
   17   HD12  LEU  11          HD12      LEU  11  -4.158   7.900   9.378
   18   HD13  LEU  11          HD13      LEU  11  -2.917   8.516   8.265
   19   HD21  LEU  11          HD21      LEU  11  -0.929   9.634  10.123
   20   HD22  LEU  11          HD22      LEU  11  -0.705   8.450   8.796
   21   HD23  LEU  11          HD23      LEU  11  -0.065   8.102  10.415
   22    H    CYS  12           H        CYS  12  -2.212   4.821  10.698
   23    HA   CYS  12           HA       CYS  12   0.035   4.028  12.458
   24    HB2  CYS  12           HB2      CYS  12  -2.353   2.359  11.617
   25    HB3  CYS  12           HB3      CYS  12  -0.773   1.588  11.893
   26    HG   CYS  12           HG       CYS  12  -2.192   3.700  14.001
   27    H    THR  13           H        THR  13   1.632   2.796  11.288
   28    HA   THR  13           HA       THR  13   1.630   3.247   8.296
   29    HB   THR  13           HB       THR  13   3.950   2.750  10.192
   30    HG1  THR  13           HG1      THR  13   4.451   4.907   9.577
   31   HG21  THR  13          HG21      THR  13   4.367   1.789   7.934
   32   HG22  THR  13          HG22      THR  13   5.343   3.240   8.205
   33   HG23  THR  13          HG23      THR  13   3.885   3.338   7.194
   34    H    LEU  14           H        LEU  14   1.110   1.563   7.139
   35    HA   LEU  14           HA       LEU  14   1.545  -1.220   8.178
   36    HB2  LEU  14           HB2      LEU  14  -0.336   0.046   6.190
   37    HB3  LEU  14           HB3      LEU  14   0.006  -1.677   6.175
   38    HG   LEU  14           HG       LEU  14  -1.100  -2.140   8.122
   39   HD11  LEU  14          HD11      LEU  14  -0.117  -0.579   9.697
   40   HD12  LEU  14          HD12      LEU  14  -1.873  -0.612   9.834
   41   HD13  LEU  14          HD13      LEU  14  -1.083   0.757   9.011
   42   HD21  LEU  14          HD21      LEU  14  -2.578   0.314   7.067
   43   HD22  LEU  14          HD22      LEU  14  -3.293  -1.012   7.996
   44   HD23  LEU  14          HD23      LEU  14  -2.667  -1.315   6.365
   45    H    GLU  15           H        GLU  15   3.199  -2.334   7.436
   46    HA   GLU  15           HA       GLU  15   4.649  -1.497   4.959
   47    HB2  GLU  15           HB2      GLU  15   5.467  -3.165   7.372
   48    HB3  GLU  15           HB3      GLU  15   6.444  -2.999   5.909
   49    HG2  GLU  15           HG2      GLU  15   6.511  -0.564   6.209
   50    HG3  GLU  15           HG3      GLU  15   5.632  -0.715   7.743
   51    H    PHE  16           H        PHE  16   3.435  -2.465   3.349
   52    HA   PHE  16           HA       PHE  16   2.829  -5.401   3.569
   53    HB2  PHE  16           HB2      PHE  16   1.891  -3.265   1.604
   54    HB3  PHE  16           HB3      PHE  16   1.567  -4.981   1.432
   55    HD1  PHE  16           HD1      PHE  16   0.687  -2.013   3.431
   56    HD2  PHE  16           HD2      PHE  16  -0.073  -6.174   2.593
   57    HE1  PHE  16           HE1      PHE  16  -1.549  -1.819   4.482
   58    HE2  PHE  16           HE2      PHE  16  -2.322  -5.977   3.649
   59    HZ   PHE  16           HZ       PHE  16  -3.068  -3.804   4.568
   60    H    ALA  17           H        ALA  17   3.497  -6.881   2.230
   61    HA   ALA  17           HA       ALA  17   5.631  -6.297   0.220
   62    HB1  ALA  17           HB1      ALA  17   6.076  -8.154   1.734
   63    HB2  ALA  17           HB2      ALA  17   4.527  -8.927   1.279
   64    HB3  ALA  17           HB3      ALA  17   5.833  -8.751   0.085
   65    H    VAL  18           H        VAL  18   5.311  -6.580  -1.957
   66    HA   VAL  18           HA       VAL  18   2.687  -7.537  -2.981
   67    HB   VAL  18           HB       VAL  18   2.727  -5.548  -4.606
   68   HG11  VAL  18          HG11      VAL  18   1.101  -5.639  -2.723
   69   HG12  VAL  18          HG12      VAL  18   2.281  -4.822  -1.668
   70   HG13  VAL  18          HG13      VAL  18   1.622  -3.988  -3.079
   71   HG21  VAL  18          HG21      VAL  18   4.548  -4.365  -2.521
   72   HG22  VAL  18          HG22      VAL  18   5.030  -4.834  -4.168
   73   HG23  VAL  18          HG23      VAL  18   3.813  -3.551  -3.915
   74    H    GLN  19           H        GLN  19   2.739  -7.952  -5.349
   75    HA   GLN  19           HA       GLN  19   5.496  -8.710  -6.272
   76    HB2  GLN  19           HB2      GLN  19   4.065 -10.622  -6.012
   77    HB3  GLN  19           HB3      GLN  19   2.784  -9.855  -6.949
   78    HG2  GLN  19           HG2      GLN  19   3.840 -11.532  -8.284
   79    HG3  GLN  19           HG3      GLN  19   4.167  -9.967  -8.989
   80   HE21  GLN  19          HE21      GLN  19   5.572 -12.857  -8.651
   81   HE22  GLN  19          HE22      GLN  19   7.242 -12.312  -8.725
   82    H    MET  20           H        MET  20   6.141  -6.743  -7.119
   83    HA   MET  20           HA       MET  20   5.217  -6.356  -9.877
   84    HB2  MET  20           HB2      MET  20   5.273  -3.856  -9.573
   85    HB3  MET  20           HB3      MET  20   3.855  -4.675  -8.898
   86    HG2  MET  20           HG2      MET  20   4.834  -4.510  -6.640
   87    HG3  MET  20           HG3      MET  20   6.282  -3.743  -7.315
   88    HE1  MET  20           HE1      MET  20   5.392  -2.697  -5.113
   89    HE2  MET  20           HE2      MET  20   5.985  -1.163  -5.787
   90    HE3  MET  20           HE3      MET  20   4.354  -1.219  -5.087
   91    H    THR  21           H        THR  21   6.861  -5.687 -11.283
   92    HA   THR  21           HA       THR  21   9.547  -5.233 -10.023
   93    HB   THR  21           HB       THR  21  10.551  -6.503 -11.849
   94    HG1  THR  21           HG1      THR  21   9.069  -7.957 -12.936
   95   HG21  THR  21          HG21      THR  21  10.043  -8.677 -10.956
   96   HG22  THR  21          HG22      THR  21   8.460  -8.139 -10.351
   97   HG23  THR  21          HG23      THR  21   9.963  -7.525  -9.624
   98    H    CYS  22           H        CYS  22   7.371  -3.909 -12.442
   99    HA   CYS  22           HA       CYS  22   9.622  -2.303 -13.512
  100    HB2  CYS  22           HB2      CYS  22   8.866  -2.512 -15.593
  101    HB3  CYS  22           HB3      CYS  22   8.272  -4.022 -14.955
  102    H    GLN  23           H        GLN  23   9.064  -0.226 -14.368
  103    HA   GLN  23           HA       GLN  23   8.215   1.483 -12.259
  104    HB2  GLN  23           HB2      GLN  23   8.920   2.045 -15.149
  105    HB3  GLN  23           HB3      GLN  23   8.661   3.296 -13.930
  106    HG2  GLN  23           HG2      GLN  23  10.773   1.089 -13.721
  107    HG3  GLN  23           HG3      GLN  23  11.069   2.732 -14.252
  108   HE21  GLN  23          HE21      GLN  23  11.211   0.749 -11.499
  109   HE22  GLN  23          HE22      GLN  23  11.088   2.046 -10.296
  110    H    SER  24           H        SER  24   6.232   0.079 -14.745
  111    HA   SER  24           HA       SER  24   4.107   2.140 -14.511
  112    HB2  SER  24           HB2      SER  24   4.100  -0.491 -16.042
  113    HB3  SER  24           HB3      SER  24   2.878   0.788 -16.125
  114    HG   SER  24           HG       SER  24   5.453   0.681 -17.190
  115    H    CYS  25           H        CYS  25   4.928  -0.646 -12.686
  116    HA   CYS  25           HA       CYS  25   2.154  -1.067 -11.753
  117    HB2  CYS  25           HB2      CYS  25   4.849  -2.166 -10.895
  118    HB3  CYS  25           HB3      CYS  25   3.299  -2.611 -10.182
  119    H    VAL  26           H        VAL  26   5.246   0.132 -10.493
  120    HA   VAL  26           HA       VAL  26   4.752   1.007  -7.971
  121    HB   VAL  26           HB       VAL  26   6.230   2.968  -9.711
  122   HG11  VAL  26          HG11      VAL  26   6.603   3.182  -7.332
  123   HG12  VAL  26          HG12      VAL  26   7.032   1.438  -7.184
  124   HG13  VAL  26          HG13      VAL  26   8.078   2.553  -8.053
  125   HG21  VAL  26          HG21      VAL  26   6.688   1.085 -10.922
  126   HG22  VAL  26          HG22      VAL  26   8.127   1.520  -9.998
  127   HG23  VAL  26          HG23      VAL  26   7.096   0.137  -9.473
  128    H    ASP  27           H        ASP  27   4.280   3.142 -10.825
  129    HA   ASP  27           HA       ASP  27   3.055   5.329  -9.553
  130    HB2  ASP  27           HB2      ASP  27   3.949   4.959 -11.974
  131    HB3  ASP  27           HB3      ASP  27   2.359   4.305 -12.315
  132    H    ALA  28           H        ALA  28   1.630   2.327 -10.797
  133    HA   ALA  28           HA       ALA  28  -1.136   3.265 -10.527
  134    HB1  ALA  28           HB1      ALA  28  -1.729   1.015 -11.220
  135    HB2  ALA  28           HB2      ALA  28  -0.441   1.657 -12.253
  136    HB3  ALA  28           HB3      ALA  28  -0.054   0.460 -11.004
  137    H    VAL  29           H        VAL  29   0.988   1.014  -8.553
  138    HA   VAL  29           HA       VAL  29  -1.087   0.622  -6.652
  139    HB   VAL  29           HB       VAL  29   1.874   0.212  -6.132
  140   HG11  VAL  29          HG11      VAL  29   0.195  -0.084  -4.251
  141   HG12  VAL  29          HG12      VAL  29  -0.667  -1.255  -5.294
  142   HG13  VAL  29          HG13      VAL  29   0.978  -1.606  -4.701
  143   HG21  VAL  29          HG21      VAL  29   1.399  -1.042  -8.217
  144   HG22  VAL  29          HG22      VAL  29   1.477  -2.162  -6.878
  145   HG23  VAL  29          HG23      VAL  29  -0.101  -1.657  -7.526
  146    H    ARG  30           H        ARG  30   1.315   3.188  -7.014
  147    HA   ARG  30           HA       ARG  30   0.783   4.477  -4.447
  148    HB2  ARG  30           HB2      ARG  30   1.706   5.448  -7.225
  149    HB3  ARG  30           HB3      ARG  30   1.534   6.555  -5.866
  150    HG2  ARG  30           HG2      ARG  30   3.293   5.503  -4.633
  151    HG3  ARG  30           HG3      ARG  30   3.306   4.105  -5.687
  152    HD2  ARG  30           HD2      ARG  30   4.930   5.040  -6.952
  153    HD3  ARG  30           HD3      ARG  30   3.801   6.312  -7.417
  154    HE   ARG  30           HE       ARG  30   4.899   6.921  -4.815
  155   HH11  ARG  30          HH11      ARG  30   6.046   6.948  -8.152
  156   HH12  ARG  30          HH12      ARG  30   6.896   8.467  -7.866
  157   HH21  ARG  30          HH21      ARG  30   6.172   8.578  -4.543
  158   HH22  ARG  30          HH22      ARG  30   7.269   9.116  -5.822
  159    H    LYS  31           H        LYS  31  -0.743   4.765  -7.679
  160    HA   LYS  31           HA       LYS  31  -2.465   6.887  -6.834
  161    HB2  LYS  31           HB2      LYS  31  -2.260   5.233  -9.336
  162    HB3  LYS  31           HB3      LYS  31  -3.552   6.447  -9.116
  163    HG2  LYS  31           HG2      LYS  31  -1.977   8.186  -8.585
  164    HG3  LYS  31           HG3      LYS  31  -0.621   7.049  -8.530
  165    HD2  LYS  31           HD2      LYS  31  -0.792   6.673 -10.951
  166    HD3  LYS  31           HD3      LYS  31  -2.166   7.828 -11.031
  167    HE2  LYS  31           HE2      LYS  31  -0.823   9.567 -10.004
  168    HE3  LYS  31           HE3      LYS  31   0.509   8.453  -9.713
  169    HZ1  LYS  31           HZ1      LYS  31  -0.452   9.155 -12.442
  170    HZ2  LYS  31           HZ2      LYS  31   0.858   8.247 -12.078
  171    HZ3  LYS  31           HZ3      LYS  31   0.849   9.866 -11.723
  172    H    SER  32           H        SER  32  -3.017   3.433  -6.753
  173    HA   SER  32           HA       SER  32  -5.815   3.453  -6.150
  174    HB2  SER  32           HB2      SER  32  -4.419   1.452  -6.590
  175    HB3  SER  32           HB3      SER  32  -3.642   1.653  -5.001
  176    HG   SER  32           HG       SER  32  -5.358   0.207  -4.729
  177    H    LEU  33           H        LEU  33  -3.050   4.433  -4.186
  178    HA   LEU  33           HA       LEU  33  -4.576   4.552  -1.659
  179    HB2  LEU  33           HB2      LEU  33  -1.769   5.552  -2.185
  180    HB3  LEU  33           HB3      LEU  33  -2.456   5.041  -0.652
  181    HG   LEU  33           HG       LEU  33  -1.872   3.159  -2.960
  182   HD11  LEU  33          HD11      LEU  33   0.206   4.247  -2.218
  183   HD12  LEU  33          HD12      LEU  33   0.176   2.526  -1.822
  184   HD13  LEU  33          HD13      LEU  33  -0.125   3.738  -0.550
  185   HD21  LEU  33          HD21      LEU  33  -2.276   2.579  -0.019
  186   HD22  LEU  33          HD22      LEU  33  -1.906   1.411  -1.315
  187   HD23  LEU  33          HD23      LEU  33  -3.459   2.270  -1.323
  188    H    GLN  34           H        GLN  34  -3.223   6.743  -4.120
  189    HA   GLN  34           HA       GLN  34  -3.155   9.085  -2.602
  190    HB2  GLN  34           HB2      GLN  34  -1.764   8.515  -4.482
  191    HB3  GLN  34           HB3      GLN  34  -3.154   8.460  -5.563
  192    HG2  GLN  34           HG2      GLN  34  -3.463  10.765  -5.470
  193    HG3  GLN  34           HG3      GLN  34  -2.271  11.006  -4.167
  194   HE21  GLN  34          HE21      GLN  34  -0.021  10.118  -4.858
  195   HE22  GLN  34          HE22      GLN  34   0.410  10.330  -6.542
  196    H    GLY  35           H        GLY  35  -4.617  10.550  -2.088
  197    HA2  GLY  35           HA2      GLY  35  -6.567  11.790  -2.042
  198    HA3  GLY  35           HA3      GLY  35  -7.067  11.036  -3.557
  199    H    VAL  36           H        VAL  36  -6.416   8.633  -1.148
  200    HA   VAL  36           HA       VAL  36  -9.254   8.011  -0.939
  201    HB   VAL  36           HB       VAL  36  -6.785   6.608   0.138
  202   HG11  VAL  36          HG11      VAL  36  -8.320   4.690   0.579
  203   HG12  VAL  36          HG12      VAL  36  -8.633   6.065   1.635
  204   HG13  VAL  36          HG13      VAL  36  -9.710   5.747   0.249
  205   HG21  VAL  36          HG21      VAL  36  -7.327   4.929  -1.574
  206   HG22  VAL  36          HG22      VAL  36  -8.754   5.859  -2.075
  207   HG23  VAL  36          HG23      VAL  36  -7.125   6.502  -2.353
  208    H    ALA  37           H        ALA  37 -10.513   8.493   0.638
  209    HA   ALA  37           HA       ALA  37  -9.909  10.164   2.843
  210    HB1  ALA  37           HB1      ALA  37 -12.119   9.494   3.716
  211    HB2  ALA  37           HB2      ALA  37 -12.175   9.838   1.978
  212    HB3  ALA  37           HB3      ALA  37 -12.180   8.156   2.550
  213    H    GLY  38           H        GLY  38  -8.602   9.816   4.490
  214    HA2  GLY  38           HA2      GLY  38  -8.155   8.791   6.620
  215    HA3  GLY  38           HA3      GLY  38  -8.508   7.205   5.942
  216    H    VAL  39           H        VAL  39  -6.628   8.796   3.617
  217    HA   VAL  39           HA       VAL  39  -4.101   7.651   4.643
  218    HB   VAL  39           HB       VAL  39  -5.102   7.410   2.247
  219   HG11  VAL  39          HG11      VAL  39  -3.482   9.936   1.757
  220   HG12  VAL  39          HG12      VAL  39  -4.326   8.928   0.571
  221   HG13  VAL  39          HG13      VAL  39  -5.253   9.866   1.751
  222   HG21  VAL  39          HG21      VAL  39  -2.836   7.083   1.351
  223   HG22  VAL  39          HG22      VAL  39  -2.142   8.020   2.688
  224   HG23  VAL  39          HG23      VAL  39  -2.949   6.468   3.006
  225    H    GLN  40           H        GLN  40  -2.312   8.856   5.262
  226    HA   GLN  40           HA       GLN  40  -2.491  11.837   5.063
  227    HB2  GLN  40           HB2      GLN  40  -1.197   9.968   7.075
  228    HB3  GLN  40           HB3      GLN  40  -0.621  11.601   6.826
  229    HG2  GLN  40           HG2      GLN  40  -3.057  12.379   7.140
  230    HG3  GLN  40           HG3      GLN  40  -3.367  10.753   7.730
  231   HE21  GLN  40          HE21      GLN  40  -3.998  12.038   9.766
  232   HE22  GLN  40          HE22      GLN  40  -2.679  12.585  10.817
  233    H    ASP  41           H        ASP  41  -0.298   9.055   4.610
  234    HA   ASP  41           HA       ASP  41   1.229  10.483   2.556
  235    HB2  ASP  41           HB2      ASP  41   2.501   9.452   5.124
  236    HB3  ASP  41           HB3      ASP  41   3.402   9.842   3.709
  237    H    VAL  42           H        VAL  42   2.701   8.984   1.500
  238    HA   VAL  42           HA       VAL  42   2.408   6.062   1.929
  239    HB   VAL  42           HB       VAL  42   1.976   5.663  -0.431
  240   HG11  VAL  42          HG11      VAL  42  -0.387   6.226  -0.505
  241   HG12  VAL  42          HG12      VAL  42   0.066   5.741   1.140
  242   HG13  VAL  42          HG13      VAL  42  -0.186   7.456   0.736
  243   HG21  VAL  42          HG21      VAL  42   2.799   7.729  -1.504
  244   HG22  VAL  42          HG22      VAL  42   1.143   7.372  -1.985
  245   HG23  VAL  42          HG23      VAL  42   1.455   8.642  -0.788
  246    H    GLU  43           H        GLU  43   4.186   4.848   1.021
  247    HA   GLU  43           HA       GLU  43   5.988   6.177  -0.827
  248    HB2  GLU  43           HB2      GLU  43   6.998   6.935   1.264
  249    HB3  GLU  43           HB3      GLU  43   7.069   5.281   1.887
  250    HG2  GLU  43           HG2      GLU  43   8.836   4.710   0.506
  251    HG3  GLU  43           HG3      GLU  43   8.351   5.786  -0.791
  252    H    VAL  44           H        VAL  44   6.650   4.694  -2.343
  253    HA   VAL  44           HA       VAL  44   6.318   1.784  -1.686
  254    HB   VAL  44           HB       VAL  44   4.747   2.516  -3.286
  255   HG11  VAL  44          HG11      VAL  44   5.846   4.405  -4.372
  256   HG12  VAL  44          HG12      VAL  44   7.064   3.313  -5.072
  257   HG13  VAL  44          HG13      VAL  44   5.359   3.156  -5.535
  258   HG21  VAL  44          HG21      VAL  44   5.745   0.255  -3.413
  259   HG22  VAL  44          HG22      VAL  44   5.197   0.886  -4.983
  260   HG23  VAL  44          HG23      VAL  44   6.931   0.864  -4.593
  261    H    HIS  45           H        HIS  45   7.969   0.540  -1.601
  262    HA   HIS  45           HA       HIS  45  10.569   1.422  -2.759
  263    HB2  HIS  45           HB2      HIS  45   9.986  -0.414  -0.384
  264    HB3  HIS  45           HB3      HIS  45  11.570  -0.219  -1.111
  265    HD1  HIS  45           HD1      HIS  45  13.079   1.513   0.074
  266    HD2  HIS  45           HD2      HIS  45   8.956   1.973   0.772
  267    HE1  HIS  45           HE1      HIS  45  12.854   3.314   1.855
  268    H    LEU  46           H        LEU  46  10.063   0.645  -4.818
  269    HA   LEU  46           HA       LEU  46   9.439  -2.037  -5.516
  270    HB2  LEU  46           HB2      LEU  46   9.448  -0.082  -6.935
  271    HB3  LEU  46           HB3      LEU  46  11.168   0.051  -6.855
  272    HG   LEU  46           HG       LEU  46  11.565  -1.491  -8.480
  273   HD11  LEU  46          HD11      LEU  46   9.199  -3.143  -7.469
  274   HD12  LEU  46          HD12      LEU  46  10.941  -3.584  -7.503
  275   HD13  LEU  46          HD13      LEU  46  10.063  -3.464  -8.989
  276   HD21  LEU  46          HD21      LEU  46   9.678  -1.565 -10.089
  277   HD22  LEU  46          HD22      LEU  46   9.715   0.017  -9.283
  278   HD23  LEU  46          HD23      LEU  46   8.563  -1.249  -8.738
  279    H    GLU  47           H        GLU  47  12.483  -0.469  -4.676
  280    HA   GLU  47           HA       GLU  47  14.195  -2.740  -5.008
  281    HB2  GLU  47           HB2      GLU  47  14.442  -0.213  -3.375
  282    HB3  GLU  47           HB3      GLU  47  15.746  -1.407  -3.481
  283    HG2  GLU  47           HG2      GLU  47  16.058  -1.106  -5.794
  284    HG3  GLU  47           HG3      GLU  47  14.467  -0.390  -6.040
  285    H    ASP  48           H        ASP  48  11.745  -2.559  -2.678
  286    HA   ASP  48           HA       ASP  48  12.912  -5.044  -1.553
  287    HB2  ASP  48           HB2      ASP  48  12.121  -2.735  -0.038
  288    HB3  ASP  48           HB3      ASP  48  10.883  -3.936   0.200
  289    H    GLN  49           H        GLN  49  10.684  -3.939  -3.668
  290    HA   GLN  49           HA       GLN  49   8.525  -4.218  -4.287
  291    HB2  GLN  49           HB2      GLN  49   8.699  -7.068  -3.280
  292    HB3  GLN  49           HB3      GLN  49   7.690  -6.397  -4.549
  293    HG2  GLN  49           HG2      GLN  49   9.652  -5.902  -5.947
  294    HG3  GLN  49           HG3      GLN  49  10.540  -6.844  -4.748
  295   HE21  GLN  49          HE21      GLN  49   8.355  -7.026  -7.453
  296   HE22  GLN  49          HE22      GLN  49   8.072  -8.772  -7.409
  297    H    MET  50           H        MET  50   8.765  -2.930  -1.917
  298    HA   MET  50           HA       MET  50   6.554  -3.977  -0.230
  299    HB2  MET  50           HB2      MET  50   8.621  -4.182   0.942
  300    HB3  MET  50           HB3      MET  50   9.089  -2.519   0.574
  301    HG2  MET  50           HG2      MET  50   7.573  -1.591   2.090
  302    HG3  MET  50           HG3      MET  50   6.585  -3.044   2.173
  303    HE1  MET  50           HE1      MET  50   6.796  -4.960   3.632
  304    HE2  MET  50           HE2      MET  50   8.284  -5.464   2.795
  305    HE3  MET  50           HE3      MET  50   8.245  -5.413   4.567
  306    H    VAL  51           H        VAL  51   5.095  -2.461   0.702
  307    HA   VAL  51           HA       VAL  51   5.165   0.319  -0.367
  308    HB   VAL  51           HB       VAL  51   2.520  -1.120  -0.026
  309   HG11  VAL  51          HG11      VAL  51   1.869   0.556  -1.717
  310   HG12  VAL  51          HG12      VAL  51   2.695   1.372  -0.375
  311   HG13  VAL  51          HG13      VAL  51   3.568   1.049  -1.896
  312   HG21  VAL  51          HG21      VAL  51   4.239  -1.296  -2.517
  313   HG22  VAL  51          HG22      VAL  51   3.582  -2.621  -1.524
  314   HG23  VAL  51          HG23      VAL  51   2.485  -1.602  -2.455
  315    H    LEU  52           H        LEU  52   4.965   1.838   1.104
  316    HA   LEU  52           HA       LEU  52   3.966   1.248   3.847
  317    HB2  LEU  52           HB2      LEU  52   5.748   3.459   2.713
  318    HB3  LEU  52           HB3      LEU  52   4.923   3.624   4.227
  319    HG   LEU  52           HG       LEU  52   6.094   1.315   4.834
  320   HD11  LEU  52          HD11      LEU  52   8.325   1.079   3.819
  321   HD12  LEU  52          HD12      LEU  52   7.939   2.395   2.685
  322   HD13  LEU  52          HD13      LEU  52   7.057   0.852   2.606
  323   HD21  LEU  52          HD21      LEU  52   8.030   2.554   5.703
  324   HD22  LEU  52          HD22      LEU  52   6.542   3.486   5.928
  325   HD23  LEU  52          HD23      LEU  52   7.659   3.917   4.618
  326    H    VAL  53           H        VAL  53   2.206   2.105   4.574
  327    HA   VAL  53           HA       VAL  53   0.783   4.218   3.047
  328    HB   VAL  53           HB       VAL  53  -0.576   1.702   4.076
  329   HG11  VAL  53          HG11      VAL  53  -1.522   3.938   2.208
  330   HG12  VAL  53          HG12      VAL  53  -2.498   2.576   2.798
  331   HG13  VAL  53          HG13      VAL  53  -1.941   3.818   3.925
  332   HG21  VAL  53          HG21      VAL  53   0.255   2.359   1.233
  333   HG22  VAL  53          HG22      VAL  53   0.732   0.951   2.200
  334   HG23  VAL  53          HG23      VAL  53  -0.941   1.116   1.665
  335    H    HIS  54           H        HIS  54   0.771   5.826   4.461
  336    HA   HIS  54           HA       HIS  54   0.660   5.333   7.370
  337    HB2  HIS  54           HB2      HIS  54   0.979   7.954   5.877
  338    HB3  HIS  54           HB3      HIS  54   1.292   7.668   7.549
  339    HD1  HIS  54           HD1      HIS  54   3.720   7.070   8.196
  340    HD2  HIS  54           HD2      HIS  54   2.812   6.377   4.170
  341    HE1  HIS  54           HE1      HIS  54   5.904   6.348   7.077
  342    H    THR  55           H        THR  55  -1.492   4.852   7.940
  343    HA   THR  55           HA       THR  55  -3.622   6.716   7.057
  344    HB   THR  55           HB       THR  55  -3.295   5.160   5.188
  345    HG1  THR  55           HG1      THR  55  -5.425   5.830   5.831
  346   HG21  THR  55          HG21      THR  55  -3.801   2.778   5.342
  347   HG22  THR  55          HG22      THR  55  -4.058   2.893   7.091
  348   HG23  THR  55          HG23      THR  55  -2.437   3.148   6.409
  349    H    THR  56           H        THR  56  -5.743   6.375   7.944
  350    HA   THR  56           HA       THR  56  -5.859   5.092  10.600
  351    HB   THR  56           HB       THR  56  -8.041   6.165  10.793
  352    HG1  THR  56           HG1      THR  56  -8.582   7.598   8.958
  353   HG21  THR  56          HG21      THR  56  -6.315   8.292   9.522
  354   HG22  THR  56          HG22      THR  56  -5.898   7.569  11.096
  355   HG23  THR  56          HG23      THR  56  -7.439   8.414  10.884
  356    H    LEU  57           H        LEU  57  -6.400   4.036   7.444
  357    HA   LEU  57           HA       LEU  57  -8.797   2.493   7.866
  358    HB2  LEU  57           HB2      LEU  57  -6.625   2.248   5.754
  359    HB3  LEU  57           HB3      LEU  57  -8.195   1.453   5.698
  360    HG   LEU  57           HG       LEU  57  -7.651   4.447   5.506
  361   HD11  LEU  57          HD11      LEU  57  -7.234   3.093   3.472
  362   HD12  LEU  57          HD12      LEU  57  -8.604   4.196   3.276
  363   HD13  LEU  57          HD13      LEU  57  -8.899   2.466   3.558
  364   HD21  LEU  57          HD21      LEU  57 -10.312   3.006   5.674
  365   HD22  LEU  57          HD22      LEU  57 -10.088   4.662   5.083
  366   HD23  LEU  57          HD23      LEU  57  -9.692   4.273   6.757
  367    HA   PRO  58           HA       PRO  58  -6.938  -1.113   9.810
  368    HB2  PRO  58           HB2      PRO  58  -9.013  -2.797   8.497
  369    HB3  PRO  58           HB3      PRO  58  -8.759  -2.530  10.239
  370    HG2  PRO  58           HG2      PRO  58 -10.908  -1.475   8.933
  371    HG3  PRO  58           HG3      PRO  58 -10.042  -0.497  10.169
  372    HD2  PRO  58           HD2      PRO  58  -9.566  -0.521   7.190
  373    HD3  PRO  58           HD3      PRO  58  -9.999   0.874   8.152
  374    H    SER  59           H        SER  59  -5.409  -2.808   9.065
  375    HA   SER  59           HA       SER  59  -4.627  -2.651   6.327
  376    HB2  SER  59           HB2      SER  59  -3.549  -5.034   7.062
  377    HB3  SER  59           HB3      SER  59  -2.803  -3.465   7.290
  378    HG   SER  59           HG       SER  59  -3.958  -5.248   9.076
  379    H    GLN  60           H        GLN  60  -7.078  -4.666   7.773
  380    HA   GLN  60           HA       GLN  60  -7.551  -6.542   5.707
  381    HB2  GLN  60           HB2      GLN  60  -9.616  -4.964   7.320
  382    HB3  GLN  60           HB3      GLN  60  -9.883  -6.447   6.424
  383    HG2  GLN  60           HG2      GLN  60  -9.769  -7.278   8.522
  384    HG3  GLN  60           HG3      GLN  60  -8.092  -7.491   8.066
  385   HE21  GLN  60          HE21      GLN  60  -9.382  -7.198  10.782
  386   HE22  GLN  60          HE22      GLN  60  -8.468  -5.885  11.495
  387    H    GLU  61           H        GLU  61  -8.399  -3.082   5.922
  388    HA   GLU  61           HA       GLU  61 -10.016  -3.048   3.495
  389    HB2  GLU  61           HB2      GLU  61 -10.342  -1.682   5.597
  390    HB3  GLU  61           HB3      GLU  61  -8.914  -0.729   5.128
  391    HG2  GLU  61           HG2      GLU  61 -10.003  -0.002   3.110
  392    HG3  GLU  61           HG3      GLU  61 -11.393  -1.058   3.465
  393    H    VAL  62           H        VAL  62  -6.719  -1.977   4.461
  394    HA   VAL  62           HA       VAL  62  -6.067  -0.836   1.925
  395    HB   VAL  62           HB       VAL  62  -4.078  -1.870   3.975
  396   HG11  VAL  62          HG11      VAL  62  -4.073   0.544   2.119
  397   HG12  VAL  62          HG12      VAL  62  -2.732   0.029   3.172
  398   HG13  VAL  62          HG13      VAL  62  -3.223  -0.976   1.805
  399   HG21  VAL  62          HG21      VAL  62  -5.538  -0.545   5.345
  400   HG22  VAL  62          HG22      VAL  62  -4.097   0.382   5.030
  401   HG23  VAL  62          HG23      VAL  62  -5.592   0.757   4.132
  402    H    GLN  63           H        GLN  63  -5.558  -4.142   3.318
  403    HA   GLN  63           HA       GLN  63  -4.004  -5.159   1.161
  404    HB2  GLN  63           HB2      GLN  63  -4.390  -6.458   3.219
  405    HB3  GLN  63           HB3      GLN  63  -6.097  -6.589   2.848
  406    HG2  GLN  63           HG2      GLN  63  -5.510  -7.833   0.720
  407    HG3  GLN  63           HG3      GLN  63  -3.797  -7.616   1.108
  408   HE21  GLN  63          HE21      GLN  63  -3.193  -9.759   1.238
  409   HE22  GLN  63          HE22      GLN  63  -3.858 -10.861   2.445
  410    H    ALA  64           H        ALA  64  -7.613  -4.747   1.354
  411    HA   ALA  64           HA       ALA  64  -7.917  -6.073  -1.229
  412    HB1  ALA  64           HB1      ALA  64  -9.637  -6.297   0.469
  413    HB2  ALA  64           HB2      ALA  64  -9.853  -4.537   0.552
  414    HB3  ALA  64           HB3      ALA  64 -10.304  -5.423  -0.923
  415    H    LEU  65           H        LEU  65  -7.415  -2.742  -0.099
  416    HA   LEU  65           HA       LEU  65  -8.021  -1.465  -2.572
  417    HB2  LEU  65           HB2      LEU  65  -6.429  -0.709  -0.149
  418    HB3  LEU  65           HB3      LEU  65  -6.437   0.314  -1.557
  419    HG   LEU  65           HG       LEU  65  -9.002  -0.573  -0.153
  420   HD11  LEU  65          HD11      LEU  65  -7.650   0.715   1.415
  421   HD12  LEU  65          HD12      LEU  65  -9.008   1.690   0.851
  422   HD13  LEU  65          HD13      LEU  65  -7.385   1.981   0.185
  423   HD21  LEU  65          HD21      LEU  65  -8.416   1.658  -2.147
  424   HD22  LEU  65          HD22      LEU  65  -9.967   1.397  -1.316
  425   HD23  LEU  65          HD23      LEU  65  -9.372   0.188  -2.451
  426    H    LEU  66           H        LEU  66  -5.051  -2.765  -1.201
  427    HA   LEU  66           HA       LEU  66  -3.282  -2.216  -3.421
  428    HB2  LEU  66           HB2      LEU  66  -3.191  -4.167  -1.092
  429    HB3  LEU  66           HB3      LEU  66  -1.859  -3.947  -2.218
  430    HG   LEU  66           HG       LEU  66  -2.955  -1.553  -0.703
  431   HD11  LEU  66          HD11      LEU  66  -2.470  -3.198   1.034
  432   HD12  LEU  66          HD12      LEU  66  -1.210  -1.969   1.012
  433   HD13  LEU  66          HD13      LEU  66  -0.892  -3.563   0.290
  434   HD21  LEU  66          HD21      LEU  66  -1.387  -1.131  -2.553
  435   HD22  LEU  66          HD22      LEU  66  -0.207  -2.245  -1.821
  436   HD23  LEU  66          HD23      LEU  66  -0.653  -0.740  -0.992
  437    H    GLU  67           H        GLU  67  -5.171  -5.135  -2.491
  438    HA   GLU  67           HA       GLU  67  -4.497  -6.738  -4.773
  439    HB2  GLU  67           HB2      GLU  67  -6.765  -6.641  -2.775
  440    HB3  GLU  67           HB3      GLU  67  -6.876  -7.720  -4.106
  441    HG2  GLU  67           HG2      GLU  67  -4.368  -8.393  -3.292
  442    HG3  GLU  67           HG3      GLU  67  -4.990  -7.812  -1.756
  443    H    GLY  68           H        GLY  68  -7.017  -4.252  -4.326
  444    HA2  GLY  68           HA2      GLY  68  -8.317  -4.463  -6.847
  445    HA3  GLY  68           HA3      GLY  68  -8.208  -3.023  -5.828
  446    H    THR  69           H        THR  69  -5.050  -3.751  -6.385
  447    HA   THR  69           HA       THR  69  -4.815  -2.063  -8.817
  448    HB   THR  69           HB       THR  69  -2.523  -1.749  -8.318
  449    HG1  THR  69           HG1      THR  69  -2.690  -3.626  -6.235
  450   HG21  THR  69          HG21      THR  69  -4.221  -0.613  -6.903
  451   HG22  THR  69          HG22      THR  69  -2.605  -0.731  -6.196
  452   HG23  THR  69          HG23      THR  69  -3.896  -1.789  -5.627
  453    H    GLY  70           H        GLY  70  -5.187  -5.356  -8.171
  454    HA2  GLY  70           HA2      GLY  70  -5.500  -6.883  -9.932
  455    HA3  GLY  70           HA3      GLY  70  -4.390  -5.991 -10.953
  456    H    ARG  71           H        ARG  71  -3.196  -6.749  -7.758
  457    HA   ARG  71           HA       ARG  71  -1.648  -9.100  -8.675
  458    HB2  ARG  71           HB2      ARG  71   0.494  -7.968  -8.071
  459    HB3  ARG  71           HB3      ARG  71  -0.310  -7.262  -9.462
  460    HG2  ARG  71           HG2      ARG  71  -1.211  -5.439  -8.020
  461    HG3  ARG  71           HG3      ARG  71  -0.421  -6.153  -6.621
  462    HD2  ARG  71           HD2      ARG  71   0.893  -4.299  -7.366
  463    HD3  ARG  71           HD3      ARG  71   1.786  -5.775  -7.688
  464    HE   ARG  71           HE       ARG  71   1.767  -5.271  -9.956
  465   HH11  ARG  71          HH11      ARG  71  -1.012  -3.524  -8.634
  466   HH12  ARG  71          HH12      ARG  71  -1.228  -2.712 -10.178
  467   HH21  ARG  71          HH21      ARG  71   1.569  -3.744 -11.672
  468   HH22  ARG  71          HH22      ARG  71   0.119  -2.775 -11.704
  469    H    GLN  72           H        GLN  72  -0.154  -9.814  -6.913
  470    HA   GLN  72           HA       GLN  72  -1.562 -10.335  -4.482
  471    HB2  GLN  72           HB2      GLN  72  -0.059 -11.911  -5.436
  472    HB3  GLN  72           HB3      GLN  72   1.313 -10.810  -5.336
  473    HG2  GLN  72           HG2      GLN  72   0.145 -11.307  -2.677
  474    HG3  GLN  72           HG3      GLN  72   0.482 -12.811  -3.496
  475   HE21  GLN  72          HE21      GLN  72   1.864 -10.952  -1.243
  476   HE22  GLN  72          HE22      GLN  72   3.541 -11.266  -1.633
  477    H    ALA  73           H        ALA  73  -1.432  -9.587  -2.575
  478    HA   ALA  73           HA       ALA  73   0.489  -7.495  -1.619
  479    HB1  ALA  73           HB1      ALA  73  -1.393  -6.260  -2.650
  480    HB2  ALA  73           HB2      ALA  73  -2.546  -7.145  -1.629
  481    HB3  ALA  73           HB3      ALA  73  -1.355  -6.058  -0.882
  482    H    VAL  74           H        VAL  74   1.263  -8.332   0.184
  483    HA   VAL  74           HA       VAL  74  -0.482  -9.806   2.129
  484    HB   VAL  74           HB       VAL  74   2.272 -10.547   1.108
  485   HG11  VAL  74          HG11      VAL  74   0.760 -11.728   3.483
  486   HG12  VAL  74          HG12      VAL  74   2.191 -12.460   2.723
  487   HG13  VAL  74          HG13      VAL  74   2.336 -10.902   3.530
  488   HG21  VAL  74          HG21      VAL  74   1.244 -12.675   0.512
  489   HG22  VAL  74          HG22      VAL  74  -0.299 -12.175   1.240
  490   HG23  VAL  74          HG23      VAL  74   0.293 -11.371  -0.218
  491    H    LEU  75           H        LEU  75  -0.374  -8.932   4.108
  492    HA   LEU  75           HA       LEU  75   1.502  -6.785   4.639
  493    HB2  LEU  75           HB2      LEU  75  -0.823  -6.800   5.338
  494    HB3  LEU  75           HB3      LEU  75  -0.485  -8.039   6.499
  495    HG   LEU  75           HG       LEU  75   0.858  -6.565   7.870
  496   HD11  LEU  75          HD11      LEU  75   2.352  -5.368   6.409
  497   HD12  LEU  75          HD12      LEU  75   1.299  -4.126   7.039
  498   HD13  LEU  75          HD13      LEU  75   1.007  -4.754   5.420
  499   HD21  LEU  75          HD21      LEU  75  -1.552  -5.992   7.652
  500   HD22  LEU  75          HD22      LEU  75  -1.045  -4.850   6.346
  501   HD23  LEU  75          HD23      LEU  75  -0.524  -4.574   8.048
  502    H    LYS  76           H        LYS  76   3.185  -6.731   5.813
  503    HA   LYS  76           HA       LYS  76   4.395  -9.263   6.861
  504    HB2  LYS  76           HB2      LYS  76   5.790  -6.682   6.070
  505    HB3  LYS  76           HB3      LYS  76   6.557  -8.180   6.547
  506    HG2  LYS  76           HG2      LYS  76   4.837  -7.810   4.055
  507    HG3  LYS  76           HG3      LYS  76   6.587  -7.740   4.084
  508    HD2  LYS  76           HD2      LYS  76   5.037 -10.236   4.918
  509    HD3  LYS  76           HD3      LYS  76   5.549  -9.907   3.266
  510    HE2  LYS  76           HE2      LYS  76   7.923  -9.620   4.140
  511    HE3  LYS  76           HE3      LYS  76   7.356 -10.275   5.684
  512    HZ1  LYS  76           HZ1      LYS  76   7.250 -11.647   3.047
  513    HZ2  LYS  76           HZ2      LYS  76   6.667 -12.284   4.460
  514    HZ3  LYS  76           HZ3      LYS  76   8.280 -11.995   4.263
  515    H    GLY  77           H        GLY  77   3.628  -5.939   7.748
  516    HA2  GLY  77           HA2      GLY  77   2.649  -6.398  10.175
  517    HA3  GLY  77           HA3      GLY  77   4.377  -6.263  10.561
  518    H    MET  78           H        MET  78   3.680  -4.430  11.819
  519    HA   MET  78           HA       MET  78   2.887  -1.999  10.336
  520    HB2  MET  78           HB2      MET  78   2.532  -2.885  13.221
  521    HB3  MET  78           HB3      MET  78   2.201  -1.261  12.622
  522    HG2  MET  78           HG2      MET  78   0.112  -2.316  12.568
  523    HG3  MET  78           HG3      MET  78   0.660  -2.286  10.901
  524    HE1  MET  78           HE1      MET  78  -1.804  -4.057  11.784
  525    HE2  MET  78           HE2      MET  78  -1.098  -3.809  10.169
  526    HE3  MET  78           HE3      MET  78  -1.424  -5.460  10.755
  527    H    GLY  79           H        GLY  79   3.847  -0.050  10.766
  528    HA2  GLY  79           HA2      GLY  79   6.649   0.038  11.693
  529    HA3  GLY  79           HA3      GLY  79   5.701   1.400  11.119
  Start of MODEL    7
    1    H    GLY   9           H        GLY   9 -10.122   3.861  12.346
    2    HA2  GLY   9           HA2      GLY   9  -8.942   3.352  14.945
    3    HA3  GLY   9           HA3      GLY   9  -8.227   3.153  13.345
    4    H    THR  10           H        THR  10  -6.404   4.026  14.009
    5    HA   THR  10           HA       THR  10  -6.179   6.984  14.140
    6    HB   THR  10           HB       THR  10  -6.160   6.202  16.419
    7    HG1  THR  10           HG1      THR  10  -4.588   7.458  16.978
    8   HG21  THR  10          HG21      THR  10  -5.112   3.963  16.153
    9   HG22  THR  10          HG22      THR  10  -4.257   4.952  17.346
   10   HG23  THR  10          HG23      THR  10  -3.574   4.739  15.723
   11    H    LEU  11           H        LEU  11  -4.203   7.814  13.499
   12    HA   LEU  11           HA       LEU  11  -3.366   6.564  11.102
   13    HB2  LEU  11           HB2      LEU  11  -3.296   9.123  12.037
   14    HB3  LEU  11           HB3      LEU  11  -1.620   8.645  12.299
   15    HG   LEU  11           HG       LEU  11  -1.875   9.904  10.290
   16   HD11  LEU  11          HD11      LEU  11  -1.229   7.067   9.463
   17   HD12  LEU  11          HD12      LEU  11  -0.123   8.147  10.348
   18   HD13  LEU  11          HD13      LEU  11  -0.692   8.602   8.735
   19   HD21  LEU  11          HD21      LEU  11  -4.134   9.397   9.620
   20   HD22  LEU  11          HD22      LEU  11  -3.730   7.697   9.332
   21   HD23  LEU  11          HD23      LEU  11  -3.040   8.941   8.295
   22    H    CYS  12           H        CYS  12  -1.844   5.253  10.588
   23    HA   CYS  12           HA       CYS  12   0.613   4.704  12.102
   24    HB2  CYS  12           HB2      CYS  12  -1.691   2.720  11.875
   25    HB3  CYS  12           HB3      CYS  12  -0.013   2.181  12.070
   26    HG   CYS  12           HG       CYS  12  -1.220   4.535  14.002
   27    H    THR  13           H        THR  13   2.087   3.418  10.913
   28    HA   THR  13           HA       THR  13   1.688   3.438   7.966
   29    HB   THR  13           HB       THR  13   4.155   3.012   9.658
   30    HG1  THR  13           HG1      THR  13   3.818   5.169   7.947
   31   HG21  THR  13          HG21      THR  13   5.407   3.317   7.559
   32   HG22  THR  13          HG22      THR  13   3.879   3.355   6.640
   33   HG23  THR  13          HG23      THR  13   4.395   1.869   7.471
   34    H    LEU  14           H        LEU  14   0.768   1.672   7.178
   35    HA   LEU  14           HA       LEU  14   1.361  -1.064   8.188
   36    HB2  LEU  14           HB2      LEU  14  -0.435   0.130   6.062
   37    HB3  LEU  14           HB3      LEU  14  -0.126  -1.597   6.172
   38    HG   LEU  14           HG       LEU  14  -1.299  -1.899   8.131
   39   HD11  LEU  14          HD11      LEU  14  -0.423  -0.114   9.518
   40   HD12  LEU  14          HD12      LEU  14  -2.163  -0.253   9.623
   41   HD13  LEU  14          HD13      LEU  14  -1.440   1.081   8.672
   42   HD21  LEU  14          HD21      LEU  14  -2.702   0.377   6.659
   43   HD22  LEU  14          HD22      LEU  14  -3.495  -0.768   7.751
   44   HD23  LEU  14          HD23      LEU  14  -2.788  -1.348   6.233
   45    H    GLU  15           H        GLU  15   3.038  -2.227   7.418
   46    HA   GLU  15           HA       GLU  15   4.374  -1.437   4.859
   47    HB2  GLU  15           HB2      GLU  15   5.416  -3.177   7.121
   48    HB3  GLU  15           HB3      GLU  15   6.273  -2.748   5.645
   49    HG2  GLU  15           HG2      GLU  15   6.080  -0.355   6.266
   50    HG3  GLU  15           HG3      GLU  15   5.394  -0.823   7.829
   51    H    PHE  16           H        PHE  16   3.303  -2.455   3.252
   52    HA   PHE  16           HA       PHE  16   2.641  -5.372   3.546
   53    HB2  PHE  16           HB2      PHE  16   1.750  -3.296   1.509
   54    HB3  PHE  16           HB3      PHE  16   1.386  -5.013   1.417
   55    HD1  PHE  16           HD1      PHE  16   0.634  -1.931   3.298
   56    HD2  PHE  16           HD2      PHE  16  -0.274  -6.102   2.684
   57    HE1  PHE  16           HE1      PHE  16  -1.582  -1.607   4.359
   58    HE2  PHE  16           HE2      PHE  16  -2.481  -5.783   3.785
   59    HZ   PHE  16           HZ       PHE  16  -3.150  -3.539   4.592
   60    H    ALA  17           H        ALA  17   3.285  -6.867   2.256
   61    HA   ALA  17           HA       ALA  17   5.438  -6.334   0.240
   62    HB1  ALA  17           HB1      ALA  17   5.960  -8.075   1.880
   63    HB2  ALA  17           HB2      ALA  17   4.492  -8.972   1.415
   64    HB3  ALA  17           HB3      ALA  17   5.823  -8.741   0.240
   65    H    VAL  18           H        VAL  18   5.137  -6.754  -1.912
   66    HA   VAL  18           HA       VAL  18   2.488  -7.667  -2.970
   67    HB   VAL  18           HB       VAL  18   2.607  -5.674  -4.552
   68   HG11  VAL  18          HG11      VAL  18   0.959  -5.736  -2.745
   69   HG12  VAL  18          HG12      VAL  18   2.134  -5.033  -1.610
   70   HG13  VAL  18          HG13      VAL  18   1.557  -4.098  -3.005
   71   HG21  VAL  18          HG21      VAL  18   4.458  -4.550  -2.433
   72   HG22  VAL  18          HG22      VAL  18   4.959  -5.040  -4.074
   73   HG23  VAL  18          HG23      VAL  18   3.791  -3.727  -3.843
   74    H    GLN  19           H        GLN  19   2.586  -7.942  -5.408
   75    HA   GLN  19           HA       GLN  19   5.383  -8.475  -6.323
   76    HB2  GLN  19           HB2      GLN  19   4.573 -10.026  -7.965
   77    HB3  GLN  19           HB3      GLN  19   4.313 -10.544  -6.306
   78    HG2  GLN  19           HG2      GLN  19   1.912 -10.043  -6.474
   79    HG3  GLN  19           HG3      GLN  19   2.133  -9.443  -8.122
   80   HE21  GLN  19          HE21      GLN  19   2.969 -11.035  -9.790
   81   HE22  GLN  19          HE22      GLN  19   2.560 -12.726  -9.543
   82    H    MET  20           H        MET  20   5.921  -6.423  -6.948
   83    HA   MET  20           HA       MET  20   5.222  -5.968  -9.747
   84    HB2  MET  20           HB2      MET  20   5.134  -3.463  -9.354
   85    HB3  MET  20           HB3      MET  20   3.686  -4.351  -8.887
   86    HG2  MET  20           HG2      MET  20   4.065  -4.077  -6.595
   87    HG3  MET  20           HG3      MET  20   5.794  -3.825  -6.799
   88    HE1  MET  20           HE1      MET  20   4.771  -0.526  -5.142
   89    HE2  MET  20           HE2      MET  20   3.840  -2.010  -4.941
   90    HE3  MET  20           HE3      MET  20   5.624  -2.107  -5.033
   91    H    THR  21           H        THR  21   7.021  -5.092 -10.897
   92    HA   THR  21           HA       THR  21   9.380  -4.190  -9.403
   93    HB   THR  21           HB       THR  21   9.345  -6.669  -9.263
   94    HG1  THR  21           HG1      THR  21  11.213  -5.864  -8.702
   95   HG21  THR  21          HG21      THR  21  10.356  -6.581 -12.111
   96   HG22  THR  21          HG22      THR  21   8.800  -7.262 -11.559
   97   HG23  THR  21          HG23      THR  21  10.323  -7.978 -11.006
   98    H    CYS  22           H        CYS  22   7.581  -3.822 -12.166
   99    HA   CYS  22           HA       CYS  22   9.843  -2.384 -13.462
  100    HB2  CYS  22           HB2      CYS  22   9.241  -3.089 -15.384
  101    HB3  CYS  22           HB3      CYS  22   8.084  -4.144 -14.626
  102    H    GLN  23           H        GLN  23   9.533  -0.249 -14.221
  103    HA   GLN  23           HA       GLN  23   8.694   1.412 -12.087
  104    HB2  GLN  23           HB2      GLN  23   9.562   2.165 -14.877
  105    HB3  GLN  23           HB3      GLN  23   9.327   3.308 -13.558
  106    HG2  GLN  23           HG2      GLN  23  11.347   1.031 -13.588
  107    HG3  GLN  23           HG3      GLN  23  11.694   2.732 -13.834
  108   HE21  GLN  23          HE21      GLN  23  11.556   0.268 -11.478
  109   HE22  GLN  23          HE22      GLN  23  11.656   1.322 -10.063
  110    H    SER  24           H        SER  24   6.692   0.374 -14.741
  111    HA   SER  24           HA       SER  24   4.775   2.603 -14.574
  112    HB2  SER  24           HB2      SER  24   4.439  -0.185 -15.767
  113    HB3  SER  24           HB3      SER  24   3.395   1.219 -16.051
  114    HG   SER  24           HG       SER  24   4.985   0.821 -17.735
  115    H    CYS  25           H        CYS  25   5.164  -0.430 -12.840
  116    HA   CYS  25           HA       CYS  25   2.370  -0.494 -11.962
  117    HB2  CYS  25           HB2      CYS  25   4.789  -2.200 -11.305
  118    HB3  CYS  25           HB3      CYS  25   3.117  -2.531 -10.828
  119    H    VAL  26           H        VAL  26   5.545   0.361 -10.616
  120    HA   VAL  26           HA       VAL  26   5.050   1.043  -7.978
  121    HB   VAL  26           HB       VAL  26   6.517   3.043  -9.716
  122   HG11  VAL  26          HG11      VAL  26   8.219   2.920  -7.998
  123   HG12  VAL  26          HG12      VAL  26   6.656   3.106  -7.177
  124   HG13  VAL  26          HG13      VAL  26   7.457   1.508  -7.269
  125   HG21  VAL  26          HG21      VAL  26   8.457   1.587  -9.889
  126   HG22  VAL  26          HG22      VAL  26   7.414   0.213  -9.393
  127   HG23  VAL  26          HG23      VAL  26   7.044   1.133 -10.861
  128    H    ASP  27           H        ASP  27   4.550   3.158 -10.841
  129    HA   ASP  27           HA       ASP  27   3.248   5.293  -9.490
  130    HB2  ASP  27           HB2      ASP  27   4.287   5.132 -11.894
  131    HB3  ASP  27           HB3      ASP  27   2.721   4.509 -12.371
  132    H    ALA  28           H        ALA  28   1.971   2.380 -11.106
  133    HA   ALA  28           HA       ALA  28  -0.790   3.276 -11.005
  134    HB1  ALA  28           HB1      ALA  28   0.356   0.477 -11.319
  135    HB2  ALA  28           HB2      ALA  28  -1.297   0.998 -11.723
  136    HB3  ALA  28           HB3      ALA  28   0.089   1.645 -12.635
  137    H    VAL  29           H        VAL  29   1.182   1.197  -8.865
  138    HA   VAL  29           HA       VAL  29  -0.968   0.580  -7.108
  139    HB   VAL  29           HB       VAL  29   2.046   0.300  -6.785
  140   HG11  VAL  29          HG11      VAL  29   0.839   0.184  -4.613
  141   HG12  VAL  29          HG12      VAL  29  -0.238  -1.059  -5.317
  142   HG13  VAL  29          HG13      VAL  29   1.492  -1.396  -5.090
  143   HG21  VAL  29          HG21      VAL  29   0.922  -1.081  -8.701
  144   HG22  VAL  29          HG22      VAL  29   1.785  -2.000  -7.466
  145   HG23  VAL  29          HG23      VAL  29   0.027  -1.893  -7.438
  146    H    ARG  30           H        ARG  30   1.655   3.035  -7.028
  147    HA   ARG  30           HA       ARG  30   0.986   4.323  -4.537
  148    HB2  ARG  30           HB2      ARG  30   1.988   5.346  -7.264
  149    HB3  ARG  30           HB3      ARG  30   1.772   6.430  -5.902
  150    HG2  ARG  30           HG2      ARG  30   3.549   5.533  -4.692
  151    HG3  ARG  30           HG3      ARG  30   3.565   4.026  -5.610
  152    HD2  ARG  30           HD2      ARG  30   4.634   4.977  -7.489
  153    HD3  ARG  30           HD3      ARG  30   4.235   6.639  -6.986
  154    HE   ARG  30           HE       ARG  30   5.862   5.615  -4.961
  155   HH11  ARG  30          HH11      ARG  30   6.370   6.277  -8.432
  156   HH12  ARG  30          HH12      ARG  30   8.065   6.519  -8.141
  157   HH21  ARG  30          HH21      ARG  30   7.967   5.912  -4.791
  158   HH22  ARG  30          HH22      ARG  30   8.978   6.015  -6.228
  159    H    LYS  31           H        LYS  31  -0.512   4.686  -7.787
  160    HA   LYS  31           HA       LYS  31  -2.132   6.861  -6.792
  161    HB2  LYS  31           HB2      LYS  31  -1.926   5.515  -9.471
  162    HB3  LYS  31           HB3      LYS  31  -3.099   6.819  -9.121
  163    HG2  LYS  31           HG2      LYS  31  -1.312   8.253  -8.236
  164    HG3  LYS  31           HG3      LYS  31  -0.119   6.980  -8.481
  165    HD2  LYS  31           HD2      LYS  31  -0.482   7.142 -10.935
  166    HD3  LYS  31           HD3      LYS  31  -1.581   8.533 -10.644
  167    HE2  LYS  31           HE2      LYS  31   0.151   9.642  -9.323
  168    HE3  LYS  31           HE3      LYS  31   1.212   8.254  -9.478
  169    HZ1  LYS  31           HZ1      LYS  31   1.850   9.977 -11.068
  170    HZ2  LYS  31           HZ2      LYS  31   0.369   9.944 -11.768
  171    HZ3  LYS  31           HZ3      LYS  31   1.366   8.613 -11.841
  172    H    SER  32           H        SER  32  -2.817   3.454  -6.911
  173    HA   SER  32           HA       SER  32  -5.664   3.642  -6.468
  174    HB2  SER  32           HB2      SER  32  -4.636   1.508  -6.906
  175    HB3  SER  32           HB3      SER  32  -3.624   1.627  -5.447
  176    HG   SER  32           HG       SER  32  -5.453   0.355  -4.965
  177    H    LEU  33           H        LEU  33  -2.869   3.978  -4.282
  178    HA   LEU  33           HA       LEU  33  -4.390   4.164  -1.826
  179    HB2  LEU  33           HB2      LEU  33  -1.616   5.257  -2.395
  180    HB3  LEU  33           HB3      LEU  33  -2.247   4.727  -0.843
  181    HG   LEU  33           HG       LEU  33  -1.734   2.858  -3.186
  182   HD11  LEU  33          HD11      LEU  33   0.102   3.362  -0.833
  183   HD12  LEU  33          HD12      LEU  33   0.357   3.973  -2.474
  184   HD13  LEU  33          HD13      LEU  33   0.338   2.231  -2.193
  185   HD21  LEU  33          HD21      LEU  33  -1.720   1.132  -1.507
  186   HD22  LEU  33          HD22      LEU  33  -3.282   1.964  -1.544
  187   HD23  LEU  33          HD23      LEU  33  -2.115   2.320  -0.238
  188    H    GLN  34           H        GLN  34  -3.049   6.589  -4.112
  189    HA   GLN  34           HA       GLN  34  -3.228   8.696  -2.243
  190    HB2  GLN  34           HB2      GLN  34  -1.475   8.248  -3.842
  191    HB3  GLN  34           HB3      GLN  34  -2.568   8.560  -5.195
  192    HG2  GLN  34           HG2      GLN  34  -2.721  10.799  -4.698
  193    HG3  GLN  34           HG3      GLN  34  -2.047  10.647  -3.052
  194   HE21  GLN  34          HE21      GLN  34  -1.121  10.036  -6.486
  195   HE22  GLN  34          HE22      GLN  34   0.594  10.378  -6.221
  196    H    GLY  35           H        GLY  35  -4.760  10.101  -1.832
  197    HA2  GLY  35           HA2      GLY  35  -6.705  11.375  -2.068
  198    HA3  GLY  35           HA3      GLY  35  -7.109  10.551  -3.566
  199    H    VAL  36           H        VAL  36  -6.447   8.211  -1.091
  200    HA   VAL  36           HA       VAL  36  -9.272   7.541  -0.895
  201    HB   VAL  36           HB       VAL  36  -6.755   6.245   0.176
  202   HG11  VAL  36          HG11      VAL  36  -9.615   5.211   0.387
  203   HG12  VAL  36          HG12      VAL  36  -8.141   4.296   0.768
  204   HG13  VAL  36          HG13      VAL  36  -8.571   5.695   1.745
  205   HG21  VAL  36          HG21      VAL  36  -7.135   6.067  -2.278
  206   HG22  VAL  36          HG22      VAL  36  -7.289   4.500  -1.480
  207   HG23  VAL  36          HG23      VAL  36  -8.747   5.390  -1.976
  208    H    ALA  37           H        ALA  37 -10.530   7.758   0.699
  209    HA   ALA  37           HA       ALA  37 -10.229   9.747   2.706
  210    HB1  ALA  37           HB1      ALA  37 -12.387   9.102   1.725
  211    HB2  ALA  37           HB2      ALA  37 -12.279   7.503   2.498
  212    HB3  ALA  37           HB3      ALA  37 -12.428   8.967   3.492
  213    H    GLY  38           H        GLY  38  -8.888   9.656   4.402
  214    HA2  GLY  38           HA2      GLY  38  -8.344   8.919   6.609
  215    HA3  GLY  38           HA3      GLY  38  -8.871   7.282   6.226
  216    H    VAL  39           H        VAL  39  -6.980   8.351   3.641
  217    HA   VAL  39           HA       VAL  39  -4.410   7.336   4.785
  218    HB   VAL  39           HB       VAL  39  -5.176   7.987   1.918
  219   HG11  VAL  39          HG11      VAL  39  -3.003   6.909   1.343
  220   HG12  VAL  39          HG12      VAL  39  -2.777   8.404   2.240
  221   HG13  VAL  39          HG13      VAL  39  -2.585   6.840   3.068
  222   HG21  VAL  39          HG21      VAL  39  -6.218   5.892   2.734
  223   HG22  VAL  39          HG22      VAL  39  -4.950   5.559   1.550
  224   HG23  VAL  39          HG23      VAL  39  -4.632   5.305   3.275
  225    H    GLN  40           H        GLN  40  -2.772   8.694   5.239
  226    HA   GLN  40           HA       GLN  40  -3.046  11.627   4.657
  227    HB2  GLN  40           HB2      GLN  40  -1.536   9.994   6.721
  228    HB3  GLN  40           HB3      GLN  40  -0.942  11.565   6.234
  229    HG2  GLN  40           HG2      GLN  40  -3.193  12.560   6.802
  230    HG3  GLN  40           HG3      GLN  40  -3.653  10.986   7.457
  231   HE21  GLN  40          HE21      GLN  40  -3.935  12.553   9.464
  232   HE22  GLN  40          HE22      GLN  40  -2.500  12.654  10.475
  233    H    ASP  41           H        ASP  41  -0.686   8.910   4.492
  234    HA   ASP  41           HA       ASP  41   0.740  10.215   2.268
  235    HB2  ASP  41           HB2      ASP  41   1.931   9.648   5.016
  236    HB3  ASP  41           HB3      ASP  41   2.914   9.858   3.600
  237    H    VAL  42           H        VAL  42   2.460   8.880   1.484
  238    HA   VAL  42           HA       VAL  42   2.264   5.934   1.903
  239    HB   VAL  42           HB       VAL  42   2.179   5.547  -0.520
  240   HG11  VAL  42          HG11      VAL  42  -0.189   5.963  -0.836
  241   HG12  VAL  42          HG12      VAL  42   0.126   5.423   0.826
  242   HG13  VAL  42          HG13      VAL  42  -0.212   7.137   0.480
  243   HG21  VAL  42          HG21      VAL  42   1.420   7.226  -2.130
  244   HG22  VAL  42          HG22      VAL  42   1.454   8.485  -0.885
  245   HG23  VAL  42          HG23      VAL  42   2.962   7.726  -1.428
  246    H    GLU  43           H        GLU  43   4.080   4.735   0.999
  247    HA   GLU  43           HA       GLU  43   6.101   6.173  -0.507
  248    HB2  GLU  43           HB2      GLU  43   6.957   6.707   1.711
  249    HB3  GLU  43           HB3      GLU  43   6.934   5.005   2.183
  250    HG2  GLU  43           HG2      GLU  43   8.647   4.462   0.558
  251    HG3  GLU  43           HG3      GLU  43   8.552   6.067  -0.160
  252    H    VAL  44           H        VAL  44   6.822   4.828  -2.089
  253    HA   VAL  44           HA       VAL  44   6.341   1.895  -1.742
  254    HB   VAL  44           HB       VAL  44   6.155   3.682  -4.155
  255   HG11  VAL  44          HG11      VAL  44   6.592   0.656  -4.182
  256   HG12  VAL  44          HG12      VAL  44   5.924   1.619  -5.526
  257   HG13  VAL  44          HG13      VAL  44   7.584   1.904  -4.982
  258   HG21  VAL  44          HG21      VAL  44   4.151   3.082  -2.775
  259   HG22  VAL  44          HG22      VAL  44   4.056   2.338  -4.389
  260   HG23  VAL  44          HG23      VAL  44   4.560   1.360  -3.021
  261    H    HIS  45           H        HIS  45   7.822   0.515  -1.707
  262    HA   HIS  45           HA       HIS  45  10.565   1.243  -2.609
  263    HB2  HIS  45           HB2      HIS  45   9.626  -0.655  -0.420
  264    HB3  HIS  45           HB3      HIS  45  11.290  -0.589  -0.990
  265    HD1  HIS  45           HD1      HIS  45  12.860   1.067   0.265
  266    HD2  HIS  45           HD2      HIS  45   8.752   1.747   0.827
  267    HE1  HIS  45           HE1      HIS  45  12.681   2.698   2.208
  268    H    LEU  46           H        LEU  46  10.256   0.626  -4.670
  269    HA   LEU  46           HA       LEU  46   9.180  -1.888  -5.600
  270    HB2  LEU  46           HB2      LEU  46   9.503   0.391  -6.756
  271    HB3  LEU  46           HB3      LEU  46  11.207   0.050  -6.852
  272    HG   LEU  46           HG       LEU  46   9.871  -0.266  -8.930
  273   HD11  LEU  46          HD11      LEU  46  12.085  -1.390  -8.542
  274   HD12  LEU  46          HD12      LEU  46  11.029  -2.148  -9.728
  275   HD13  LEU  46          HD13      LEU  46  11.192  -2.874  -8.126
  276   HD21  LEU  46          HD21      LEU  46   8.816  -2.812  -7.655
  277   HD22  LEU  46          HD22      LEU  46   8.410  -2.121  -9.245
  278   HD23  LEU  46          HD23      LEU  46   7.876  -1.315  -7.764
  279    H    GLU  47           H        GLU  47  12.373  -0.736  -4.616
  280    HA   GLU  47           HA       GLU  47  13.905  -3.033  -5.405
  281    HB2  GLU  47           HB2      GLU  47  14.358  -0.744  -3.473
  282    HB3  GLU  47           HB3      GLU  47  15.523  -2.059  -3.607
  283    HG2  GLU  47           HG2      GLU  47  15.731  -1.684  -6.042
  284    HG3  GLU  47           HG3      GLU  47  14.589  -0.339  -5.937
  285    H    ASP  48           H        ASP  48  11.658  -2.845  -2.822
  286    HA   ASP  48           HA       ASP  48  12.665  -5.489  -1.829
  287    HB2  ASP  48           HB2      ASP  48  12.026  -3.160  -0.282
  288    HB3  ASP  48           HB3      ASP  48  10.696  -4.252  -0.062
  289    H    GLN  49           H        GLN  49  10.378  -4.079  -3.783
  290    HA   GLN  49           HA       GLN  49   8.195  -4.230  -4.259
  291    HB2  GLN  49           HB2      GLN  49   8.216  -7.154  -3.561
  292    HB3  GLN  49           HB3      GLN  49   7.259  -6.298  -4.768
  293    HG2  GLN  49           HG2      GLN  49   9.287  -5.666  -6.031
  294    HG3  GLN  49           HG3      GLN  49  10.105  -6.804  -5.008
  295   HE21  GLN  49          HE21      GLN  49  10.715  -7.703  -7.136
  296   HE22  GLN  49          HE22      GLN  49   9.629  -8.928  -7.833
  297    H    MET  50           H        MET  50   8.488  -3.017  -2.048
  298    HA   MET  50           HA       MET  50   6.393  -4.058  -0.250
  299    HB2  MET  50           HB2      MET  50   8.444  -4.309   0.922
  300    HB3  MET  50           HB3      MET  50   9.003  -2.697   0.479
  301    HG2  MET  50           HG2      MET  50   7.644  -1.611   2.008
  302    HG3  MET  50           HG3      MET  50   6.501  -2.937   2.152
  303    HE1  MET  50           HE1      MET  50   6.633  -4.953   3.548
  304    HE2  MET  50           HE2      MET  50   8.149  -5.528   2.795
  305    HE3  MET  50           HE3      MET  50   8.010  -5.428   4.564
  306    H    VAL  51           H        VAL  51   4.975  -2.503   0.689
  307    HA   VAL  51           HA       VAL  51   5.147   0.289  -0.325
  308    HB   VAL  51           HB       VAL  51   2.518  -1.238  -0.160
  309   HG11  VAL  51          HG11      VAL  51   2.111   1.077  -0.145
  310   HG12  VAL  51          HG12      VAL  51   3.513   1.427  -1.160
  311   HG13  VAL  51          HG13      VAL  51   2.066   0.707  -1.891
  312   HG21  VAL  51          HG21      VAL  51   3.758  -2.402  -1.868
  313   HG22  VAL  51          HG22      VAL  51   2.578  -1.358  -2.651
  314   HG23  VAL  51          HG23      VAL  51   4.296  -0.876  -2.601
  315    H    LEU  52           H        LEU  52   4.847   1.804   1.136
  316    HA   LEU  52           HA       LEU  52   3.734   1.170   3.820
  317    HB2  LEU  52           HB2      LEU  52   5.418   3.496   2.811
  318    HB3  LEU  52           HB3      LEU  52   4.609   3.475   4.359
  319    HG   LEU  52           HG       LEU  52   5.965   1.430   4.978
  320   HD11  LEU  52          HD11      LEU  52   7.433   2.126   2.438
  321   HD12  LEU  52          HD12      LEU  52   6.713   0.553   2.868
  322   HD13  LEU  52          HD13      LEU  52   8.129   1.128   3.741
  323   HD21  LEU  52          HD21      LEU  52   6.550   3.809   5.632
  324   HD22  LEU  52          HD22      LEU  52   7.613   3.883   4.223
  325   HD23  LEU  52          HD23      LEU  52   7.945   2.722   5.527
  326    H    VAL  53           H        VAL  53   1.925   1.921   4.432
  327    HA   VAL  53           HA       VAL  53   0.596   4.183   3.001
  328    HB   VAL  53           HB       VAL  53  -0.813   1.701   4.033
  329   HG11  VAL  53          HG11      VAL  53  -2.154   3.828   3.948
  330   HG12  VAL  53          HG12      VAL  53  -1.725   4.018   2.240
  331   HG13  VAL  53          HG13      VAL  53  -2.736   2.657   2.761
  332   HG21  VAL  53          HG21      VAL  53  -0.043   2.372   1.183
  333   HG22  VAL  53          HG22      VAL  53   0.448   0.951   2.126
  334   HG23  VAL  53          HG23      VAL  53  -1.236   1.133   1.643
  335    H    HIS  54           H        HIS  54   0.528   5.793   4.406
  336    HA   HIS  54           HA       HIS  54   0.431   5.359   7.330
  337    HB2  HIS  54           HB2      HIS  54   0.622   7.966   5.786
  338    HB3  HIS  54           HB3      HIS  54   0.904   7.722   7.478
  339    HD1  HIS  54           HD1      HIS  54   3.390   7.933   8.016
  340    HD2  HIS  54           HD2      HIS  54   2.611   6.155   4.279
  341    HE1  HIS  54           HE1      HIS  54   5.651   7.340   6.999
  342    H    THR  55           H        THR  55  -1.652   4.779   7.899
  343    HA   THR  55           HA       THR  55  -3.897   6.552   7.111
  344    HB   THR  55           HB       THR  55  -3.649   5.031   5.254
  345    HG1  THR  55           HG1      THR  55  -5.743   5.640   6.020
  346   HG21  THR  55          HG21      THR  55  -4.024   2.658   5.387
  347   HG22  THR  55          HG22      THR  55  -4.231   2.717   7.151
  348   HG23  THR  55          HG23      THR  55  -2.642   3.045   6.421
  349    H    THR  56           H        THR  56  -5.889   6.202   8.210
  350    HA   THR  56           HA       THR  56  -5.681   4.892  10.857
  351    HB   THR  56           HB       THR  56  -7.748   5.942  11.395
  352    HG1  THR  56           HG1      THR  56  -8.807   7.210   9.858
  353   HG21  THR  56          HG21      THR  56  -7.189   8.225  11.294
  354   HG22  THR  56          HG22      THR  56  -6.366   8.069   9.729
  355   HG23  THR  56          HG23      THR  56  -5.629   7.421  11.202
  356    H    LEU  57           H        LEU  57  -6.811   4.060   7.737
  357    HA   LEU  57           HA       LEU  57  -9.098   2.509   8.179
  358    HB2  LEU  57           HB2      LEU  57  -6.807   2.236   6.187
  359    HB3  LEU  57           HB3      LEU  57  -8.299   1.342   6.003
  360    HG   LEU  57           HG       LEU  57  -8.074   4.397   5.995
  361   HD11  LEU  57          HD11      LEU  57  -8.554   2.414   3.731
  362   HD12  LEU  57          HD12      LEU  57  -7.053   3.335   4.014
  363   HD13  LEU  57          HD13      LEU  57  -8.552   4.185   3.601
  364   HD21  LEU  57          HD21      LEU  57 -10.443   2.594   5.410
  365   HD22  LEU  57          HD22      LEU  57 -10.389   4.341   5.132
  366   HD23  LEU  57          HD23      LEU  57 -10.294   3.711   6.779
  367    HA   PRO  58           HA       PRO  58  -7.583  -1.304  10.031
  368    HB2  PRO  58           HB2      PRO  58  -9.447  -2.923   8.404
  369    HB3  PRO  58           HB3      PRO  58  -9.469  -2.672  10.164
  370    HG2  PRO  58           HG2      PRO  58 -11.387  -1.596   8.499
  371    HG3  PRO  58           HG3      PRO  58 -10.785  -0.677   9.922
  372    HD2  PRO  58           HD2      PRO  58  -9.761  -0.543   7.075
  373    HD3  PRO  58           HD3      PRO  58 -10.408   0.797   7.985
  374    H    SER  59           H        SER  59  -5.864  -2.754   9.335
  375    HA   SER  59           HA       SER  59  -4.887  -2.325   6.699
  376    HB2  SER  59           HB2      SER  59  -3.920  -4.808   7.972
  377    HB3  SER  59           HB3      SER  59  -3.042  -3.440   7.274
  378    HG   SER  59           HG       SER  59  -3.366  -3.993   9.784
  379    H    GLN  60           H        GLN  60  -7.096  -4.705   7.855
  380    HA   GLN  60           HA       GLN  60  -7.466  -6.528   5.784
  381    HB2  GLN  60           HB2      GLN  60  -9.759  -4.990   7.077
  382    HB3  GLN  60           HB3      GLN  60  -9.743  -6.663   6.522
  383    HG2  GLN  60           HG2      GLN  60  -8.178  -7.226   8.387
  384    HG3  GLN  60           HG3      GLN  60  -8.250  -5.544   8.937
  385   HE21  GLN  60          HE21      GLN  60  -8.812  -7.345  10.757
  386   HE22  GLN  60          HE22      GLN  60 -10.549  -7.504  11.023
  387    H    GLU  61           H        GLU  61  -8.567  -3.123   5.892
  388    HA   GLU  61           HA       GLU  61 -10.100  -3.285   3.411
  389    HB2  GLU  61           HB2      GLU  61 -10.599  -1.858   5.475
  390    HB3  GLU  61           HB3      GLU  61  -9.234  -0.820   4.987
  391    HG2  GLU  61           HG2      GLU  61 -10.345  -0.431   2.806
  392    HG3  GLU  61           HG3      GLU  61 -11.688  -1.464   3.373
  393    H    VAL  62           H        VAL  62  -6.961  -1.917   4.467
  394    HA   VAL  62           HA       VAL  62  -6.300  -0.718   1.984
  395    HB   VAL  62           HB       VAL  62  -4.280  -1.700   4.035
  396   HG11  VAL  62          HG11      VAL  62  -3.454  -0.659   1.926
  397   HG12  VAL  62          HG12      VAL  62  -4.408   0.791   2.294
  398   HG13  VAL  62          HG13      VAL  62  -3.059   0.306   3.354
  399   HG21  VAL  62          HG21      VAL  62  -5.888  -0.576   5.424
  400   HG22  VAL  62          HG22      VAL  62  -4.510   0.464   5.210
  401   HG23  VAL  62          HG23      VAL  62  -5.997   0.792   4.285
  402    H    GLN  63           H        GLN  63  -5.645  -3.973   3.377
  403    HA   GLN  63           HA       GLN  63  -3.924  -5.033   1.404
  404    HB2  GLN  63           HB2      GLN  63  -4.586  -6.214   3.491
  405    HB3  GLN  63           HB3      GLN  63  -6.224  -6.362   2.895
  406    HG2  GLN  63           HG2      GLN  63  -5.360  -7.735   0.950
  407    HG3  GLN  63           HG3      GLN  63  -3.747  -7.668   1.686
  408   HE21  GLN  63          HE21      GLN  63  -6.870  -9.209   1.729
  409   HE22  GLN  63          HE22      GLN  63  -6.655 -10.103   3.237
  410    H    ALA  64           H        ALA  64  -7.527  -4.755   1.332
  411    HA   ALA  64           HA       ALA  64  -7.623  -6.109  -1.249
  412    HB1  ALA  64           HB1      ALA  64  -9.677  -4.899   0.620
  413    HB2  ALA  64           HB2      ALA  64 -10.099  -5.573  -0.973
  414    HB3  ALA  64           HB3      ALA  64  -9.360  -6.600   0.272
  415    H    LEU  65           H        LEU  65  -7.522  -2.736  -0.085
  416    HA   LEU  65           HA       LEU  65  -8.106  -1.485  -2.569
  417    HB2  LEU  65           HB2      LEU  65  -6.673  -0.640  -0.082
  418    HB3  LEU  65           HB3      LEU  65  -6.693   0.395  -1.484
  419    HG   LEU  65           HG       LEU  65  -9.243  -0.662  -0.184
  420   HD11  LEU  65          HD11      LEU  65  -7.816   1.998   0.177
  421   HD12  LEU  65          HD12      LEU  65  -8.023   0.732   1.413
  422   HD13  LEU  65          HD13      LEU  65  -9.436   1.601   0.799
  423   HD21  LEU  65          HD21      LEU  65 -10.292   1.230  -1.405
  424   HD22  LEU  65          HD22      LEU  65  -9.568   0.065  -2.511
  425   HD23  LEU  65          HD23      LEU  65  -8.732   1.597  -2.171
  426    H    LEU  66           H        LEU  66  -5.084  -2.553  -1.099
  427    HA   LEU  66           HA       LEU  66  -3.283  -1.919  -3.265
  428    HB2  LEU  66           HB2      LEU  66  -3.234  -3.859  -0.922
  429    HB3  LEU  66           HB3      LEU  66  -1.908  -3.759  -2.066
  430    HG   LEU  66           HG       LEU  66  -2.831  -1.206  -0.729
  431   HD11  LEU  66          HD11      LEU  66  -1.262  -1.631   1.120
  432   HD12  LEU  66          HD12      LEU  66  -1.000  -3.289   0.524
  433   HD13  LEU  66          HD13      LEU  66  -2.587  -2.791   1.144
  434   HD21  LEU  66          HD21      LEU  66  -0.115  -2.295  -1.624
  435   HD22  LEU  66          HD22      LEU  66  -0.409  -0.688  -0.941
  436   HD23  LEU  66          HD23      LEU  66  -1.108  -1.120  -2.515
  437    H    GLU  67           H        GLU  67  -5.036  -4.980  -2.402
  438    HA   GLU  67           HA       GLU  67  -4.179  -6.404  -4.714
  439    HB2  GLU  67           HB2      GLU  67  -6.458  -6.643  -2.763
  440    HB3  GLU  67           HB3      GLU  67  -6.499  -7.644  -4.150
  441    HG2  GLU  67           HG2      GLU  67  -3.859  -7.999  -3.232
  442    HG3  GLU  67           HG3      GLU  67  -4.778  -7.819  -1.745
  443    H    GLY  68           H        GLY  68  -6.751  -4.031  -4.435
  444    HA2  GLY  68           HA2      GLY  68  -7.977  -4.347  -6.986
  445    HA3  GLY  68           HA3      GLY  68  -7.869  -2.853  -6.050
  446    H    THR  69           H        THR  69  -4.715  -3.704  -6.492
  447    HA   THR  69           HA       THR  69  -4.351  -2.090  -8.957
  448    HB   THR  69           HB       THR  69  -2.031  -1.852  -8.328
  449    HG1  THR  69           HG1      THR  69  -2.552  -3.445  -6.069
  450   HG21  THR  69          HG21      THR  69  -3.905  -1.403  -5.974
  451   HG22  THR  69          HG22      THR  69  -3.465  -0.285  -7.287
  452   HG23  THR  69          HG23      THR  69  -2.263  -0.791  -6.090
  453    H    GLY  70           H        GLY  70  -5.070  -5.194  -8.537
  454    HA2  GLY  70           HA2      GLY  70  -5.286  -6.601 -10.404
  455    HA3  GLY  70           HA3      GLY  70  -3.938  -5.797 -11.203
  456    H    ARG  71           H        ARG  71  -3.279  -6.672  -7.990
  457    HA   ARG  71           HA       ARG  71  -1.733  -9.120  -8.597
  458    HB2  ARG  71           HB2      ARG  71   0.345  -7.970  -7.784
  459    HB3  ARG  71           HB3      ARG  71  -0.271  -7.396  -9.313
  460    HG2  ARG  71           HG2      ARG  71  -1.399  -5.473  -7.964
  461    HG3  ARG  71           HG3      ARG  71  -0.441  -6.023  -6.602
  462    HD2  ARG  71           HD2      ARG  71   0.702  -4.204  -7.597
  463    HD3  ARG  71           HD3      ARG  71   1.621  -5.627  -8.048
  464    HE   ARG  71           HE       ARG  71  -0.244  -4.060  -9.807
  465   HH11  ARG  71          HH11      ARG  71   2.418  -6.455  -9.800
  466   HH12  ARG  71          HH12      ARG  71   2.572  -6.228 -11.537
  467   HH21  ARG  71          HH21      ARG  71   0.158  -3.953 -11.966
  468   HH22  ARG  71          HH22      ARG  71   1.473  -4.925 -12.629
  469    H    GLN  72           H        GLN  72  -0.626  -9.923  -6.700
  470    HA   GLN  72           HA       GLN  72  -2.258  -9.922  -4.315
  471    HB2  GLN  72           HB2      GLN  72   0.311 -11.236  -5.129
  472    HB3  GLN  72           HB3      GLN  72  -0.047 -11.169  -3.422
  473    HG2  GLN  72           HG2      GLN  72  -2.167 -12.228  -5.304
  474    HG3  GLN  72           HG3      GLN  72  -0.802 -13.240  -4.837
  475   HE21  GLN  72          HE21      GLN  72  -3.617 -11.419  -3.437
  476   HE22  GLN  72          HE22      GLN  72  -3.606 -12.357  -1.967
  477    H    ALA  73           H        ALA  73  -1.775  -9.406  -2.352
  478    HA   ALA  73           HA       ALA  73   0.328  -7.506  -1.501
  479    HB1  ALA  73           HB1      ALA  73  -1.268  -5.886  -0.650
  480    HB2  ALA  73           HB2      ALA  73  -1.505  -6.074  -2.403
  481    HB3  ALA  73           HB3      ALA  73  -2.637  -6.833  -1.263
  482    H    VAL  74           H        VAL  74   1.002  -8.181   0.398
  483    HA   VAL  74           HA       VAL  74  -0.704  -9.726   2.320
  484    HB   VAL  74           HB       VAL  74   2.073 -10.360   1.255
  485   HG11  VAL  74          HG11      VAL  74   2.107 -12.271   2.871
  486   HG12  VAL  74          HG12      VAL  74   2.258 -10.696   3.641
  487   HG13  VAL  74          HG13      VAL  74   0.700 -11.558   3.681
  488   HG21  VAL  74          HG21      VAL  74  -0.491 -11.999   1.391
  489   HG22  VAL  74          HG22      VAL  74   0.217 -11.285  -0.079
  490   HG23  VAL  74          HG23      VAL  74   1.074 -12.577   0.765
  491    H    LEU  75           H        LEU  75  -0.542  -8.844   4.350
  492    HA   LEU  75           HA       LEU  75   1.310  -6.646   4.760
  493    HB2  LEU  75           HB2      LEU  75  -1.017  -6.653   5.460
  494    HB3  LEU  75           HB3      LEU  75  -0.690  -7.864   6.643
  495    HG   LEU  75           HG       LEU  75   0.482  -6.343   8.077
  496   HD11  LEU  75          HD11      LEU  75   0.920  -4.647   5.584
  497   HD12  LEU  75          HD12      LEU  75   2.134  -5.239   6.746
  498   HD13  LEU  75          HD13      LEU  75   1.059  -3.953   7.210
  499   HD21  LEU  75          HD21      LEU  75  -1.887  -5.684   7.562
  500   HD22  LEU  75          HD22      LEU  75  -1.187  -4.603   6.307
  501   HD23  LEU  75          HD23      LEU  75  -0.854  -4.285   8.045
  502    H    LYS  76           H        LYS  76   2.973  -6.520   5.940
  503    HA   LYS  76           HA       LYS  76   4.230  -8.992   7.082
  504    HB2  LYS  76           HB2      LYS  76   5.547  -6.407   6.158
  505    HB3  LYS  76           HB3      LYS  76   6.370  -7.784   6.827
  506    HG2  LYS  76           HG2      LYS  76   4.868  -7.677   4.186
  507    HG3  LYS  76           HG3      LYS  76   6.607  -7.790   4.415
  508    HD2  LYS  76           HD2      LYS  76   4.506  -9.911   4.942
  509    HD3  LYS  76           HD3      LYS  76   5.763  -9.951   3.723
  510    HE2  LYS  76           HE2      LYS  76   6.345  -9.966   6.722
  511    HE3  LYS  76           HE3      LYS  76   6.083 -11.426   5.772
  512    HZ1  LYS  76           HZ1      LYS  76   7.983 -10.890   4.420
  513    HZ2  LYS  76           HZ2      LYS  76   8.433 -10.937   5.972
  514    HZ3  LYS  76           HZ3      LYS  76   8.261  -9.482   5.231
  515    H    GLY  77           H        GLY  77   3.426  -5.646   7.870
  516    HA2  GLY  77           HA2      GLY  77   2.318  -5.923  10.258
  517    HA3  GLY  77           HA3      GLY  77   4.032  -5.990  10.722
  518    H    MET  78           H        MET  78   3.123  -4.032  11.897
  519    HA   MET  78           HA       MET  78   2.974  -1.588  10.277
  520    HB2  MET  78           HB2      MET  78   2.247  -2.335  13.097
  521    HB3  MET  78           HB3      MET  78   2.599  -0.645  12.721
  522    HG2  MET  78           HG2      MET  78   0.189  -1.133  12.443
  523    HG3  MET  78           HG3      MET  78   1.003  -0.556  11.004
  524    HE1  MET  78           HE1      MET  78  -0.913  -3.523  12.694
  525    HE2  MET  78           HE2      MET  78  -0.613  -4.863  11.560
  526    HE3  MET  78           HE3      MET  78   0.715  -4.218  12.546
  527    H    GLY  79           H        GLY  79   4.400  -0.173  10.010
  528    HA2  GLY  79           HA2      GLY  79   7.041  -0.208  11.439
  529    HA3  GLY  79           HA3      GLY  79   6.826   0.271   9.755
  Start of MODEL    8
    1    H    GLY   9           H        GLY   9 -10.545   4.755  14.670
    2    HA2  GLY   9           HA2      GLY   9  -8.436   3.012  13.741
    3    HA3  GLY   9           HA3      GLY   9  -9.369   3.797  12.450
    4    H    THR  10           H        THR  10  -6.630   4.122  13.982
    5    HA   THR  10           HA       THR  10  -6.502   7.077  13.825
    6    HB   THR  10           HB       THR  10  -6.715   6.318  16.131
    7    HG1  THR  10           HG1      THR  10  -5.366   7.732  16.859
    8   HG21  THR  10          HG21      THR  10  -3.826   5.356  15.894
    9   HG22  THR  10          HG22      THR  10  -5.201   4.244  15.933
   10   HG23  THR  10          HG23      THR  10  -4.874   5.292  17.326
   11    H    LEU  11           H        LEU  11  -4.495   7.951  13.403
   12    HA   LEU  11           HA       LEU  11  -3.427   6.636  11.154
   13    HB2  LEU  11           HB2      LEU  11  -3.579   9.242  11.907
   14    HB3  LEU  11           HB3      LEU  11  -1.893   8.901  12.285
   15    HG   LEU  11           HG       LEU  11  -2.104   9.995  10.158
   16   HD11  LEU  11          HD11      LEU  11  -0.270   8.309  10.465
   17   HD12  LEU  11          HD12      LEU  11  -0.749   8.680   8.803
   18   HD13  LEU  11          HD13      LEU  11  -1.267   7.151   9.556
   19   HD21  LEU  11          HD21      LEU  11  -3.083   8.735   8.200
   20   HD22  LEU  11          HD22      LEU  11  -4.264   9.325   9.388
   21   HD23  LEU  11          HD23      LEU  11  -3.808   7.620   9.349
   22    H    CYS  12           H        CYS  12  -1.946   5.376  10.816
   23    HA   CYS  12           HA       CYS  12   0.475   4.831  12.419
   24    HB2  CYS  12           HB2      CYS  12  -1.750   2.792  11.898
   25    HB3  CYS  12           HB3      CYS  12  -0.160   2.408  12.578
   26    HG   CYS  12           HG       CYS  12  -2.659   4.182  13.767
   27    H    THR  13           H        THR  13   2.011   3.443  11.212
   28    HA   THR  13           HA       THR  13   1.596   3.481   8.251
   29    HB   THR  13           HB       THR  13   4.077   3.028   9.903
   30    HG1  THR  13           HG1      THR  13   3.048   5.219   9.671
   31   HG21  THR  13          HG21      THR  13   5.299   3.321   7.765
   32   HG22  THR  13          HG22      THR  13   3.755   3.346   6.887
   33   HG23  THR  13          HG23      THR  13   4.295   1.868   7.724
   34    H    LEU  14           H        LEU  14   0.902   1.737   7.294
   35    HA   LEU  14           HA       LEU  14   1.492  -1.024   8.300
   36    HB2  LEU  14           HB2      LEU  14  -0.458   0.181   6.335
   37    HB3  LEU  14           HB3      LEU  14  -0.044  -1.528   6.302
   38    HG   LEU  14           HG       LEU  14  -1.017  -1.997   8.377
   39   HD11  LEU  14          HD11      LEU  14  -1.422   0.949   8.954
   40   HD12  LEU  14          HD12      LEU  14  -0.267  -0.141   9.756
   41   HD13  LEU  14          HD13      LEU  14  -1.990  -0.437   9.925
   42   HD21  LEU  14          HD21      LEU  14  -2.788   0.114   7.060
   43   HD22  LEU  14          HD22      LEU  14  -3.342  -1.160   8.159
   44   HD23  LEU  14          HD23      LEU  14  -2.685  -1.589   6.576
   45    H    GLU  15           H        GLU  15   3.076  -2.233   7.355
   46    HA   GLU  15           HA       GLU  15   4.282  -1.294   4.774
   47    HB2  GLU  15           HB2      GLU  15   5.548  -2.577   7.199
   48    HB3  GLU  15           HB3      GLU  15   6.204  -2.837   5.577
   49    HG2  GLU  15           HG2      GLU  15   6.300  -0.373   5.238
   50    HG3  GLU  15           HG3      GLU  15   5.891  -0.150   6.949
   51    H    PHE  16           H        PHE  16   3.167  -2.361   3.237
   52    HA   PHE  16           HA       PHE  16   2.580  -5.274   3.602
   53    HB2  PHE  16           HB2      PHE  16   1.587  -3.170   1.631
   54    HB3  PHE  16           HB3      PHE  16   1.257  -4.876   1.459
   55    HD1  PHE  16           HD1      PHE  16   0.491  -1.937   3.524
   56    HD2  PHE  16           HD2      PHE  16  -0.348  -6.087   2.704
   57    HE1  PHE  16           HE1      PHE  16  -1.683  -1.717   4.672
   58    HE2  PHE  16           HE2      PHE  16  -2.568  -5.858   3.825
   59    HZ   PHE  16           HZ       PHE  16  -3.238  -3.688   4.799
   60    H    ALA  17           H        ALA  17   3.104  -6.800   2.194
   61    HA   ALA  17           HA       ALA  17   5.299  -6.342   0.221
   62    HB1  ALA  17           HB1      ALA  17   4.108  -8.894   1.401
   63    HB2  ALA  17           HB2      ALA  17   5.413  -8.824   0.206
   64    HB3  ALA  17           HB3      ALA  17   5.671  -8.150   1.826
   65    H    VAL  18           H        VAL  18   4.828  -6.230  -1.930
   66    HA   VAL  18           HA       VAL  18   2.311  -7.404  -3.012
   67    HB   VAL  18           HB       VAL  18   1.814  -5.264  -4.166
   68   HG11  VAL  18          HG11      VAL  18   0.801  -4.079  -2.300
   69   HG12  VAL  18          HG12      VAL  18   0.616  -5.808  -2.038
   70   HG13  VAL  18          HG13      VAL  18   1.852  -4.896  -1.130
   71   HG21  VAL  18          HG21      VAL  18   2.721  -3.201  -3.279
   72   HG22  VAL  18          HG22      VAL  18   3.843  -4.128  -2.245
   73   HG23  VAL  18          HG23      VAL  18   4.002  -4.185  -4.011
   74    H    GLN  19           H        GLN  19   2.399  -8.155  -5.042
   75    HA   GLN  19           HA       GLN  19   5.015  -8.370  -6.250
   76    HB2  GLN  19           HB2      GLN  19   3.319 -10.174  -6.117
   77    HB3  GLN  19           HB3      GLN  19   2.311  -9.296  -7.269
   78    HG2  GLN  19           HG2      GLN  19   4.177  -9.498  -8.963
   79    HG3  GLN  19           HG3      GLN  19   5.095 -10.446  -7.783
   80   HE21  GLN  19          HE21      GLN  19   4.093 -12.596  -7.084
   81   HE22  GLN  19          HE22      GLN  19   3.015 -13.381  -8.241
   82    H    MET  20           H        MET  20   5.710  -6.300  -6.922
   83    HA   MET  20           HA       MET  20   4.778  -5.651  -9.663
   84    HB2  MET  20           HB2      MET  20   5.200  -3.205  -9.163
   85    HB3  MET  20           HB3      MET  20   3.717  -3.896  -8.503
   86    HG2  MET  20           HG2      MET  20   4.561  -3.957  -6.301
   87    HG3  MET  20           HG3      MET  20   6.228  -3.676  -6.827
   88    HE1  MET  20           HE1      MET  20   5.659  -2.094  -4.585
   89    HE2  MET  20           HE2      MET  20   4.709  -0.557  -4.708
   90    HE3  MET  20           HE3      MET  20   3.881  -2.108  -4.788
   91    H    THR  21           H        THR  21   6.324  -4.699 -11.072
   92    HA   THR  21           HA       THR  21   9.102  -5.513 -10.312
   93    HB   THR  21           HB       THR  21   9.200  -6.608 -12.541
   94    HG1  THR  21           HG1      THR  21   7.348  -7.016 -13.604
   95   HG21  THR  21          HG21      THR  21   6.965  -7.681 -10.765
   96   HG22  THR  21          HG22      THR  21   8.708  -7.927 -10.501
   97   HG23  THR  21          HG23      THR  21   7.935  -8.596 -11.938
   98    H    CYS  22           H        CYS  22   7.430  -3.109 -12.312
   99    HA   CYS  22           HA       CYS  22  10.068  -1.887 -12.770
  100    HB2  CYS  22           HB2      CYS  22  10.033  -1.899 -15.077
  101    HB3  CYS  22           HB3      CYS  22   9.473  -3.496 -14.647
  102    H    GLN  23           H        GLN  23   9.770   0.274 -13.987
  103    HA   GLN  23           HA       GLN  23   8.853   2.027 -12.090
  104    HB2  GLN  23           HB2      GLN  23  10.543   2.311 -13.944
  105    HB3  GLN  23           HB3      GLN  23   9.213   2.707 -15.022
  106    HG2  GLN  23           HG2      GLN  23  10.397   4.696 -14.168
  107    HG3  GLN  23           HG3      GLN  23   8.688   4.700 -13.740
  108   HE21  GLN  23          HE21      GLN  23  11.664   3.210 -12.153
  109   HE22  GLN  23          HE22      GLN  23  11.318   3.992 -10.624
  110    H    SER  24           H        SER  24   6.935   0.962 -14.872
  111    HA   SER  24           HA       SER  24   4.773   2.880 -14.598
  112    HB2  SER  24           HB2      SER  24   4.721   0.087 -15.829
  113    HB3  SER  24           HB3      SER  24   3.576   1.403 -16.131
  114    HG   SER  24           HG       SER  24   6.356   1.342 -16.806
  115    H    CYS  25           H        CYS  25   5.432  -0.162 -12.945
  116    HA   CYS  25           HA       CYS  25   2.679  -0.570 -12.064
  117    HB2  CYS  25           HB2      CYS  25   5.341  -1.857 -11.328
  118    HB3  CYS  25           HB3      CYS  25   3.770  -2.408 -10.797
  119    H    VAL  26           H        VAL  26   5.722   0.692 -10.766
  120    HA   VAL  26           HA       VAL  26   5.115   1.227  -8.093
  121    HB   VAL  26           HB       VAL  26   6.636   3.274  -9.718
  122   HG11  VAL  26          HG11      VAL  26   6.641   3.263  -7.157
  123   HG12  VAL  26          HG12      VAL  26   7.482   1.683  -7.277
  124   HG13  VAL  26          HG13      VAL  26   8.249   3.132  -7.917
  125   HG21  VAL  26          HG21      VAL  26   7.541   0.434  -9.332
  126   HG22  VAL  26          HG22      VAL  26   7.287   1.347 -10.830
  127   HG23  VAL  26          HG23      VAL  26   8.618   1.806  -9.765
  128    H    ASP  27           H        ASP  27   4.648   3.393 -10.936
  129    HA   ASP  27           HA       ASP  27   3.226   5.463  -9.603
  130    HB2  ASP  27           HB2      ASP  27   4.225   5.268 -12.052
  131    HB3  ASP  27           HB3      ASP  27   2.644   4.650 -12.461
  132    H    ALA  28           H        ALA  28   2.133   2.391 -11.041
  133    HA   ALA  28           HA       ALA  28  -0.685   3.112 -10.995
  134    HB1  ALA  28           HB1      ALA  28   0.609   0.369 -11.218
  135    HB2  ALA  28           HB2      ALA  28  -1.051   0.805 -11.653
  136    HB3  ALA  28           HB3      ALA  28   0.306   1.485 -12.581
  137    H    VAL  29           H        VAL  29   1.396   1.136  -8.768
  138    HA   VAL  29           HA       VAL  29  -0.826   0.562  -7.053
  139    HB   VAL  29           HB       VAL  29   2.167   0.200  -6.622
  140   HG11  VAL  29          HG11      VAL  29  -0.213  -1.207  -5.364
  141   HG12  VAL  29          HG12      VAL  29   1.499  -1.490  -4.991
  142   HG13  VAL  29          HG13      VAL  29   0.754   0.058  -4.547
  143   HG21  VAL  29          HG21      VAL  29   1.815  -2.141  -7.289
  144   HG22  VAL  29          HG22      VAL  29   0.086  -1.848  -7.556
  145   HG23  VAL  29          HG23      VAL  29   1.280  -1.122  -8.621
  146    H    ARG  30           H        ARG  30   1.723   3.076  -7.115
  147    HA   ARG  30           HA       ARG  30   1.072   4.339  -4.586
  148    HB2  ARG  30           HB2      ARG  30   2.167   5.311  -7.294
  149    HB3  ARG  30           HB3      ARG  30   1.854   6.434  -5.995
  150    HG2  ARG  30           HG2      ARG  30   3.484   5.452  -4.557
  151    HG3  ARG  30           HG3      ARG  30   3.649   4.026  -5.584
  152    HD2  ARG  30           HD2      ARG  30   4.861   5.110  -7.247
  153    HD3  ARG  30           HD3      ARG  30   4.363   6.735  -6.715
  154    HE   ARG  30           HE       ARG  30   6.705   5.340  -5.975
  155   HH11  ARG  30          HH11      ARG  30   4.439   7.606  -4.405
  156   HH12  ARG  30          HH12      ARG  30   5.632   7.929  -3.165
  157   HH21  ARG  30          HH21      ARG  30   8.037   5.887  -4.478
  158   HH22  ARG  30          HH22      ARG  30   7.669   7.119  -3.304
  159    H    LYS  31           H        LYS  31  -0.288   4.730  -7.899
  160    HA   LYS  31           HA       LYS  31  -2.018   6.842  -7.017
  161    HB2  LYS  31           HB2      LYS  31  -1.727   5.406  -9.633
  162    HB3  LYS  31           HB3      LYS  31  -2.972   6.656  -9.346
  163    HG2  LYS  31           HG2      LYS  31  -1.331   8.234  -8.517
  164    HG3  LYS  31           HG3      LYS  31  -0.024   7.041  -8.628
  165    HD2  LYS  31           HD2      LYS  31  -0.213   7.009 -11.042
  166    HD3  LYS  31           HD3      LYS  31  -1.564   8.193 -10.982
  167    HE2  LYS  31           HE2      LYS  31  -0.143   9.759  -9.732
  168    HE3  LYS  31           HE3      LYS  31   1.181   8.586  -9.718
  169    HZ1  LYS  31           HZ1      LYS  31   0.008   9.691 -12.215
  170    HZ2  LYS  31           HZ2      LYS  31   1.352   8.732 -12.085
  171    HZ3  LYS  31           HZ3      LYS  31   1.381  10.296 -11.537
  172    H    SER  32           H        SER  32  -2.492   3.436  -6.961
  173    HA   SER  32           HA       SER  32  -5.361   3.431  -6.622
  174    HB2  SER  32           HB2      SER  32  -3.683   1.521  -7.018
  175    HB3  SER  32           HB3      SER  32  -3.432   1.534  -5.264
  176    HG   SER  32           HG       SER  32  -5.630   0.827  -6.835
  177    H    LEU  33           H        LEU  33  -2.684   4.231  -4.448
  178    HA   LEU  33           HA       LEU  33  -4.335   4.351  -2.009
  179    HB2  LEU  33           HB2      LEU  33  -1.517   5.385  -2.439
  180    HB3  LEU  33           HB3      LEU  33  -2.257   4.891  -0.927
  181    HG   LEU  33           HG       LEU  33  -1.671   2.893  -3.144
  182   HD11  LEU  33          HD11      LEU  33   0.422   4.139  -2.519
  183   HD12  LEU  33          HD12      LEU  33   0.444   2.400  -2.211
  184   HD13  LEU  33          HD13      LEU  33   0.215   3.542  -0.863
  185   HD21  LEU  33          HD21      LEU  33  -1.564   1.314  -1.332
  186   HD22  LEU  33          HD22      LEU  33  -3.142   2.125  -1.346
  187   HD23  LEU  33          HD23      LEU  33  -1.907   2.583  -0.137
  188    H    GLN  34           H        GLN  34  -2.856   6.603  -4.341
  189    HA   GLN  34           HA       GLN  34  -3.055   8.942  -2.808
  190    HB2  GLN  34           HB2      GLN  34  -1.449   8.428  -4.533
  191    HB3  GLN  34           HB3      GLN  34  -2.735   8.318  -5.741
  192    HG2  GLN  34           HG2      GLN  34  -3.106  10.620  -5.708
  193    HG3  GLN  34           HG3      GLN  34  -2.047  10.899  -4.309
  194   HE21  GLN  34          HE21      GLN  34   0.312  10.323  -4.726
  195   HE22  GLN  34          HE22      GLN  34   0.857  10.493  -6.385
  196    H    GLY  35           H        GLY  35  -4.691  10.263  -2.416
  197    HA2  GLY  35           HA2      GLY  35  -6.725  11.364  -2.606
  198    HA3  GLY  35           HA3      GLY  35  -7.078  10.511  -4.106
  199    H    VAL  36           H        VAL  36  -6.278   8.465  -1.291
  200    HA   VAL  36           HA       VAL  36  -9.126   7.681  -1.046
  201    HB   VAL  36           HB       VAL  36  -6.585   6.397   0.004
  202   HG11  VAL  36          HG11      VAL  36  -9.488   5.484   0.270
  203   HG12  VAL  36          HG12      VAL  36  -8.062   4.508   0.670
  204   HG13  VAL  36          HG13      VAL  36  -8.409   5.961   1.601
  205   HG21  VAL  36          HG21      VAL  36  -7.162   4.585  -1.562
  206   HG22  VAL  36          HG22      VAL  36  -8.607   5.471  -2.090
  207   HG23  VAL  36          HG23      VAL  36  -6.986   6.100  -2.448
  208    H    ALA  37           H        ALA  37 -10.293   8.224   0.624
  209    HA   ALA  37           HA       ALA  37  -9.448  10.201   2.526
  210    HB1  ALA  37           HB1      ALA  37 -11.710   9.914   3.468
  211    HB2  ALA  37           HB2      ALA  37 -11.747  10.073   1.703
  212    HB3  ALA  37           HB3      ALA  37 -11.956   8.474   2.454
  213    H    GLY  38           H        GLY  38  -8.353   9.975   4.346
  214    HA2  GLY  38           HA2      GLY  38  -7.826   9.107   6.474
  215    HA3  GLY  38           HA3      GLY  38  -8.567   7.559   6.064
  216    H    VAL  39           H        VAL  39  -6.553   8.584   3.494
  217    HA   VAL  39           HA       VAL  39  -4.122   7.186   4.570
  218    HB   VAL  39           HB       VAL  39  -5.093   7.611   1.727
  219   HG11  VAL  39          HG11      VAL  39  -3.097   6.241   1.076
  220   HG12  VAL  39          HG12      VAL  39  -2.629   7.787   1.775
  221   HG13  VAL  39          HG13      VAL  39  -2.516   6.311   2.758
  222   HG21  VAL  39          HG21      VAL  39  -5.160   5.146   1.627
  223   HG22  VAL  39          HG22      VAL  39  -4.660   5.044   3.324
  224   HG23  VAL  39          HG23      VAL  39  -6.235   5.742   2.895
  225    H    GLN  40           H        GLN  40  -2.896   8.742   5.466
  226    HA   GLN  40           HA       GLN  40  -3.050  11.550   4.556
  227    HB2  GLN  40           HB2      GLN  40  -1.633  10.072   6.802
  228    HB3  GLN  40           HB3      GLN  40  -1.350  11.763   6.498
  229    HG2  GLN  40           HG2      GLN  40  -4.098  10.576   7.111
  230    HG3  GLN  40           HG3      GLN  40  -3.022  11.328   8.297
  231   HE21  GLN  40          HE21      GLN  40  -2.307  13.641   7.713
  232   HE22  GLN  40          HE22      GLN  40  -3.653  14.663   7.149
  233    H    ASP  41           H        ASP  41  -0.622   8.922   4.583
  234    HA   ASP  41           HA       ASP  41   0.829  10.212   2.406
  235    HB2  ASP  41           HB2      ASP  41   2.073   9.846   5.135
  236    HB3  ASP  41           HB3      ASP  41   3.058   9.732   3.712
  237    H    VAL  42           H        VAL  42   2.512   8.906   1.589
  238    HA   VAL  42           HA       VAL  42   2.414   5.992   2.033
  239    HB   VAL  42           HB       VAL  42   2.111   5.510  -0.330
  240   HG11  VAL  42          HG11      VAL  42  -0.279   5.893  -0.510
  241   HG12  VAL  42          HG12      VAL  42   0.145   5.452   1.155
  242   HG13  VAL  42          HG13      VAL  42  -0.225   7.140   0.730
  243   HG21  VAL  42          HG21      VAL  42   1.227   7.104  -1.962
  244   HG22  VAL  42          HG22      VAL  42   1.366   8.421  -0.781
  245   HG23  VAL  42          HG23      VAL  42   2.818   7.621  -1.414
  246    H    GLU  43           H        GLU  43   4.231   4.854   1.149
  247    HA   GLU  43           HA       GLU  43   5.962   6.251  -0.697
  248    HB2  GLU  43           HB2      GLU  43   6.939   7.007   1.432
  249    HB3  GLU  43           HB3      GLU  43   7.163   5.326   1.950
  250    HG2  GLU  43           HG2      GLU  43   8.859   4.952   0.427
  251    HG3  GLU  43           HG3      GLU  43   8.266   6.122  -0.743
  252    H    VAL  44           H        VAL  44   6.874   4.881  -2.149
  253    HA   VAL  44           HA       VAL  44   6.406   1.960  -1.711
  254    HB   VAL  44           HB       VAL  44   6.243   3.647  -4.201
  255   HG11  VAL  44          HG11      VAL  44   6.597   0.620  -4.110
  256   HG12  VAL  44          HG12      VAL  44   5.985   1.552  -5.500
  257   HG13  VAL  44          HG13      VAL  44   7.644   1.798  -4.938
  258   HG21  VAL  44          HG21      VAL  44   4.118   2.318  -4.383
  259   HG22  VAL  44          HG22      VAL  44   4.576   1.477  -2.916
  260   HG23  VAL  44          HG23      VAL  44   4.214   3.215  -2.846
  261    H    HIS  45           H        HIS  45   7.888   0.549  -1.805
  262    HA   HIS  45           HA       HIS  45  10.634   1.283  -2.717
  263    HB2  HIS  45           HB2      HIS  45   9.737  -0.571  -0.496
  264    HB3  HIS  45           HB3      HIS  45  11.394  -0.433  -1.075
  265    HD1  HIS  45           HD1      HIS  45  12.880   1.306   0.049
  266    HD2  HIS  45           HD2      HIS  45   8.764   1.941   0.641
  267    HE1  HIS  45           HE1      HIS  45  12.681   3.167   1.792
  268    H    LEU  46           H        LEU  46  10.093   0.665  -4.799
  269    HA   LEU  46           HA       LEU  46   9.070  -1.819  -5.669
  270    HB2  LEU  46           HB2      LEU  46   9.436   0.369  -6.871
  271    HB3  LEU  46           HB3      LEU  46  11.138   0.045  -6.947
  272    HG   LEU  46           HG       LEU  46   9.710  -0.325  -9.023
  273   HD11  LEU  46          HD11      LEU  46  11.037  -2.133  -9.848
  274   HD12  LEU  46          HD12      LEU  46  11.485  -2.629  -8.205
  275   HD13  LEU  46          HD13      LEU  46  12.015  -1.053  -8.840
  276   HD21  LEU  46          HD21      LEU  46   9.027  -2.996  -7.744
  277   HD22  LEU  46          HD22      LEU  46   8.593  -2.422  -9.361
  278   HD23  LEU  46          HD23      LEU  46   7.883  -1.644  -7.936
  279    H    GLU  47           H        GLU  47  12.349  -0.848  -4.787
  280    HA   GLU  47           HA       GLU  47  13.679  -3.286  -5.666
  281    HB2  GLU  47           HB2      GLU  47  14.442  -0.845  -4.089
  282    HB3  GLU  47           HB3      GLU  47  15.481  -2.241  -3.977
  283    HG2  GLU  47           HG2      GLU  47  14.615  -1.164  -6.680
  284    HG3  GLU  47           HG3      GLU  47  15.993  -0.504  -5.807
  285    H    ASP  48           H        ASP  48  11.861  -2.661  -2.760
  286    HA   ASP  48           HA       ASP  48  12.841  -5.203  -1.587
  287    HB2  ASP  48           HB2      ASP  48  11.997  -2.532  -0.502
  288    HB3  ASP  48           HB3      ASP  48  11.395  -3.869   0.345
  289    H    GLN  49           H        GLN  49  10.467  -4.127  -3.543
  290    HA   GLN  49           HA       GLN  49   8.246  -4.302  -3.902
  291    HB2  GLN  49           HB2      GLN  49   8.424  -7.135  -2.850
  292    HB3  GLN  49           HB3      GLN  49   7.330  -6.472  -4.035
  293    HG2  GLN  49           HG2      GLN  49   8.782  -7.649  -5.386
  294    HG3  GLN  49           HG3      GLN  49   9.398  -6.007  -5.508
  295   HE21  GLN  49          HE21      GLN  49  11.581  -6.607  -5.991
  296   HE22  GLN  49          HE22      GLN  49  12.586  -7.396  -4.773
  297    H    MET  50           H        MET  50   8.671  -2.924  -1.664
  298    HA   MET  50           HA       MET  50   6.616  -3.888   0.260
  299    HB2  MET  50           HB2      MET  50   9.102  -3.796   1.022
  300    HB3  MET  50           HB3      MET  50   8.928  -2.054   0.975
  301    HG2  MET  50           HG2      MET  50   8.221  -2.180   3.087
  302    HG3  MET  50           HG3      MET  50   6.708  -2.799   2.504
  303    HE1  MET  50           HE1      MET  50   7.901  -5.631   1.344
  304    HE2  MET  50           HE2      MET  50   7.711  -6.761   2.693
  305    HE3  MET  50           HE3      MET  50   6.369  -5.673   2.275
  306    H    VAL  51           H        VAL  51   5.028  -2.393   0.929
  307    HA   VAL  51           HA       VAL  51   5.334   0.437  -0.010
  308    HB   VAL  51           HB       VAL  51   2.713  -1.121   0.003
  309   HG11  VAL  51          HG11      VAL  51   2.160   0.870  -1.552
  310   HG12  VAL  51          HG12      VAL  51   2.351   1.272   0.170
  311   HG13  VAL  51          HG13      VAL  51   3.666   1.610  -0.965
  312   HG21  VAL  51          HG21      VAL  51   2.975  -1.024  -2.504
  313   HG22  VAL  51          HG22      VAL  51   4.675  -0.533  -2.254
  314   HG23  VAL  51          HG23      VAL  51   4.123  -2.092  -1.682
  315    H    LEU  52           H        LEU  52   5.233   1.904   1.435
  316    HA   LEU  52           HA       LEU  52   4.126   1.466   4.149
  317    HB2  LEU  52           HB2      LEU  52   5.679   3.747   2.822
  318    HB3  LEU  52           HB3      LEU  52   4.950   3.890   4.389
  319    HG   LEU  52           HG       LEU  52   6.389   1.790   5.034
  320   HD11  LEU  52          HD11      LEU  52   7.238   1.156   2.840
  321   HD12  LEU  52          HD12      LEU  52   8.573   1.732   3.844
  322   HD13  LEU  52          HD13      LEU  52   7.887   2.799   2.601
  323   HD21  LEU  52          HD21      LEU  52   8.292   3.293   5.582
  324   HD22  LEU  52          HD22      LEU  52   6.736   4.071   5.924
  325   HD23  LEU  52          HD23      LEU  52   7.645   4.510   4.465
  326    H    VAL  53           H        VAL  53   2.197   2.053   4.670
  327    HA   VAL  53           HA       VAL  53   0.781   4.216   3.168
  328    HB   VAL  53           HB       VAL  53  -0.450   1.588   4.070
  329   HG11  VAL  53          HG11      VAL  53  -2.459   2.416   2.875
  330   HG12  VAL  53          HG12      VAL  53  -2.004   3.552   4.148
  331   HG13  VAL  53          HG13      VAL  53  -1.609   3.918   2.457
  332   HG21  VAL  53          HG21      VAL  53   0.229   2.553   1.280
  333   HG22  VAL  53          HG22      VAL  53   0.865   1.119   2.114
  334   HG23  VAL  53          HG23      VAL  53  -0.832   1.168   1.645
  335    H    HIS  54           H        HIS  54   0.686   5.814   4.577
  336    HA   HIS  54           HA       HIS  54   0.497   5.391   7.495
  337    HB2  HIS  54           HB2      HIS  54   0.699   7.941   5.850
  338    HB3  HIS  54           HB3      HIS  54   0.837   7.813   7.580
  339    HD1  HIS  54           HD1      HIS  54   3.223   7.992   8.377
  340    HD2  HIS  54           HD2      HIS  54   2.847   6.320   4.535
  341    HE1  HIS  54           HE1      HIS  54   5.592   7.605   7.515
  342    H    THR  55           H        THR  55  -1.601   4.778   8.046
  343    HA   THR  55           HA       THR  55  -3.853   6.450   7.081
  344    HB   THR  55           HB       THR  55  -3.503   4.805   5.335
  345    HG1  THR  55           HG1      THR  55  -5.626   5.423   5.945
  346   HG21  THR  55          HG21      THR  55  -4.098   2.634   7.395
  347   HG22  THR  55          HG22      THR  55  -2.506   2.934   6.663
  348   HG23  THR  55          HG23      THR  55  -3.865   2.425   5.648
  349    H    THR  56           H        THR  56  -5.895   6.127   8.091
  350    HA   THR  56           HA       THR  56  -5.840   5.027  10.836
  351    HB   THR  56           HB       THR  56  -8.063   6.032  11.059
  352    HG1  THR  56           HG1      THR  56  -8.824   7.288   9.273
  353   HG21  THR  56          HG21      THR  56  -6.323   8.071   9.627
  354   HG22  THR  56          HG22      THR  56  -5.971   7.485  11.263
  355   HG23  THR  56          HG23      THR  56  -7.487   8.330  10.941
  356    H    LEU  57           H        LEU  57  -6.582   3.791   7.758
  357    HA   LEU  57           HA       LEU  57  -8.956   2.313   8.299
  358    HB2  LEU  57           HB2      LEU  57  -6.735   1.986   6.241
  359    HB3  LEU  57           HB3      LEU  57  -8.246   1.095   6.160
  360    HG   LEU  57           HG       LEU  57  -8.003   4.137   6.005
  361   HD11  LEU  57          HD11      LEU  57  -7.098   2.964   4.031
  362   HD12  LEU  57          HD12      LEU  57  -8.600   3.817   3.647
  363   HD13  LEU  57          HD13      LEU  57  -8.625   2.057   3.868
  364   HD21  LEU  57          HD21      LEU  57 -10.388   3.985   5.231
  365   HD22  LEU  57          HD22      LEU  57 -10.171   3.582   6.939
  366   HD23  LEU  57          HD23      LEU  57 -10.405   2.290   5.742
  367    HA   PRO  58           HA       PRO  58  -7.326  -1.522  10.057
  368    HB2  PRO  58           HB2      PRO  58  -9.302  -3.200   8.731
  369    HB3  PRO  58           HB3      PRO  58  -9.275  -2.681  10.433
  370    HG2  PRO  58           HG2      PRO  58 -11.182  -1.821   8.590
  371    HG3  PRO  58           HG3      PRO  58 -10.667  -0.850  10.006
  372    HD2  PRO  58           HD2      PRO  58  -9.610  -0.738   7.174
  373    HD3  PRO  58           HD3      PRO  58 -10.211   0.594   8.128
  374    H    SER  59           H        SER  59  -5.740  -3.051   9.326
  375    HA   SER  59           HA       SER  59  -4.962  -2.887   6.569
  376    HB2  SER  59           HB2      SER  59  -3.764  -5.197   7.593
  377    HB3  SER  59           HB3      SER  59  -3.055  -3.601   7.375
  378    HG   SER  59           HG       SER  59  -3.893  -4.956   9.614
  379    H    GLN  60           H        GLN  60  -7.311  -4.939   8.058
  380    HA   GLN  60           HA       GLN  60  -7.512  -6.996   6.059
  381    HB2  GLN  60           HB2      GLN  60  -9.829  -5.583   7.452
  382    HB3  GLN  60           HB3      GLN  60  -9.807  -7.192   6.730
  383    HG2  GLN  60           HG2      GLN  60  -8.170  -7.888   8.547
  384    HG3  GLN  60           HG3      GLN  60  -8.388  -6.292   9.278
  385   HE21  GLN  60          HE21      GLN  60  -9.256  -7.341  11.225
  386   HE22  GLN  60          HE22      GLN  60 -10.884  -8.032  11.171
  387    H    GLU  61           H        GLU  61  -8.611  -3.589   6.143
  388    HA   GLU  61           HA       GLU  61 -10.224  -3.792   3.725
  389    HB2  GLU  61           HB2      GLU  61 -10.548  -2.328   5.864
  390    HB3  GLU  61           HB3      GLU  61  -9.310  -1.272   5.142
  391    HG2  GLU  61           HG2      GLU  61 -10.716  -1.135   3.093
  392    HG3  GLU  61           HG3      GLU  61 -11.970  -2.067   3.955
  393    H    VAL  62           H        VAL  62  -7.123  -2.188   4.649
  394    HA   VAL  62           HA       VAL  62  -6.566  -1.113   2.117
  395    HB   VAL  62           HB       VAL  62  -4.451  -2.020   4.098
  396   HG11  VAL  62          HG11      VAL  62  -3.263  -0.011   3.305
  397   HG12  VAL  62          HG12      VAL  62  -3.696  -1.034   1.931
  398   HG13  VAL  62          HG13      VAL  62  -4.655   0.415   2.277
  399   HG21  VAL  62          HG21      VAL  62  -4.631   0.183   5.214
  400   HG22  VAL  62          HG22      VAL  62  -6.152   0.479   4.326
  401   HG23  VAL  62          HG23      VAL  62  -6.008  -0.847   5.502
  402    H    GLN  63           H        GLN  63  -5.830  -4.383   3.421
  403    HA   GLN  63           HA       GLN  63  -4.273  -5.377   1.223
  404    HB2  GLN  63           HB2      GLN  63  -4.575  -6.609   3.290
  405    HB3  GLN  63           HB3      GLN  63  -6.308  -6.673   3.066
  406    HG2  GLN  63           HG2      GLN  63  -5.899  -8.041   0.956
  407    HG3  GLN  63           HG3      GLN  63  -4.173  -8.055   1.391
  408   HE21  GLN  63          HE21      GLN  63  -7.437  -8.836   2.889
  409   HE22  GLN  63          HE22      GLN  63  -6.808 -10.262   3.693
  410    H    ALA  64           H        ALA  64  -7.894  -5.042   1.450
  411    HA   ALA  64           HA       ALA  64  -8.170  -6.346  -1.176
  412    HB1  ALA  64           HB1      ALA  64 -10.585  -5.796  -0.799
  413    HB2  ALA  64           HB2      ALA  64  -9.868  -6.659   0.574
  414    HB3  ALA  64           HB3      ALA  64 -10.140  -4.907   0.677
  415    H    LEU  65           H        LEU  65  -7.838  -3.035   0.073
  416    HA   LEU  65           HA       LEU  65  -8.567  -1.709  -2.357
  417    HB2  LEU  65           HB2      LEU  65  -6.896  -0.905   0.011
  418    HB3  LEU  65           HB3      LEU  65  -7.157   0.141  -1.356
  419    HG   LEU  65           HG       LEU  65  -9.400  -1.003   0.371
  420   HD11  LEU  65          HD11      LEU  65  -8.190   1.787   0.272
  421   HD12  LEU  65          HD12      LEU  65  -7.963   0.602   1.582
  422   HD13  LEU  65          HD13      LEU  65  -9.568   1.267   1.269
  423   HD21  LEU  65          HD21      LEU  65 -10.256  -0.473  -1.863
  424   HD22  LEU  65          HD22      LEU  65  -9.430   1.104  -1.841
  425   HD23  LEU  65          HD23      LEU  65 -10.779   0.769  -0.735
  426    H    LEU  66           H        LEU  66  -5.462  -2.767  -1.029
  427    HA   LEU  66           HA       LEU  66  -3.739  -2.105  -3.216
  428    HB2  LEU  66           HB2      LEU  66  -3.629  -4.164  -0.973
  429    HB3  LEU  66           HB3      LEU  66  -2.303  -3.946  -2.097
  430    HG   LEU  66           HG       LEU  66  -3.343  -1.566  -0.517
  431   HD11  LEU  66          HD11      LEU  66  -1.620  -2.057   1.191
  432   HD12  LEU  66          HD12      LEU  66  -1.301  -3.629   0.420
  433   HD13  LEU  66          HD13      LEU  66  -2.877  -3.285   1.174
  434   HD21  LEU  66          HD21      LEU  66  -0.992  -0.832  -0.774
  435   HD22  LEU  66          HD22      LEU  66  -1.763  -1.116  -2.347
  436   HD23  LEU  66          HD23      LEU  66  -0.624  -2.306  -1.680
  437    H    GLU  67           H        GLU  67  -5.491  -5.155  -2.452
  438    HA   GLU  67           HA       GLU  67  -4.591  -6.682  -4.669
  439    HB2  GLU  67           HB2      GLU  67  -6.975  -6.691  -2.813
  440    HB3  GLU  67           HB3      GLU  67  -7.009  -7.778  -4.144
  441    HG2  GLU  67           HG2      GLU  67  -4.584  -8.482  -3.368
  442    HG3  GLU  67           HG3      GLU  67  -4.971  -7.669  -1.888
  443    H    GLY  68           H        GLY  68  -7.022  -4.166  -4.603
  444    HA2  GLY  68           HA2      GLY  68  -8.190  -4.553  -7.194
  445    HA3  GLY  68           HA3      GLY  68  -8.095  -3.039  -6.289
  446    H    THR  69           H        THR  69  -4.931  -3.645  -6.432
  447    HA   THR  69           HA       THR  69  -4.430  -2.126  -8.892
  448    HB   THR  69           HB       THR  69  -2.054  -2.204  -8.278
  449    HG1  THR  69           HG1      THR  69  -2.806  -3.722  -6.036
  450   HG21  THR  69          HG21      THR  69  -3.438  -0.541  -7.310
  451   HG22  THR  69          HG22      THR  69  -2.185  -1.033  -6.171
  452   HG23  THR  69          HG23      THR  69  -3.854  -1.573  -5.924
  453    H    GLY  70           H        GLY  70  -5.191  -5.301  -8.473
  454    HA2  GLY  70           HA2      GLY  70  -5.332  -6.869 -10.201
  455    HA3  GLY  70           HA3      GLY  70  -4.063  -6.060 -11.102
  456    H    ARG  71           H        ARG  71  -3.495  -6.780  -7.701
  457    HA   ARG  71           HA       ARG  71  -1.415  -8.772  -8.459
  458    HB2  ARG  71           HB2      ARG  71  -1.175  -6.255  -6.756
  459    HB3  ARG  71           HB3      ARG  71   0.134  -7.398  -7.071
  460    HG2  ARG  71           HG2      ARG  71   0.176  -6.842  -9.429
  461    HG3  ARG  71           HG3      ARG  71  -1.269  -5.831  -9.280
  462    HD2  ARG  71           HD2      ARG  71  -0.071  -4.381  -7.649
  463    HD3  ARG  71           HD3      ARG  71   1.391  -5.279  -7.974
  464    HE   ARG  71           HE       ARG  71   0.013  -3.327  -9.700
  465   HH11  ARG  71          HH11      ARG  71   2.434  -5.878  -9.837
  466   HH12  ARG  71          HH12      ARG  71   3.047  -5.317 -11.372
  467   HH21  ARG  71          HH21      ARG  71   0.745  -2.694 -11.530
  468   HH22  ARG  71          HH22      ARG  71   2.268  -3.326 -12.173
  469    H    GLN  72           H        GLN  72  -0.327  -9.676  -6.693
  470    HA   GLN  72           HA       GLN  72  -1.779 -10.585  -4.362
  471    HB2  GLN  72           HB2      GLN  72  -0.159 -12.000  -5.314
  472    HB3  GLN  72           HB3      GLN  72   1.084 -10.767  -5.359
  473    HG2  GLN  72           HG2      GLN  72  -0.019 -11.887  -2.748
  474    HG3  GLN  72           HG3      GLN  72   1.286 -12.654  -3.636
  475   HE21  GLN  72          HE21      GLN  72   1.817 -11.893  -1.044
  476   HE22  GLN  72          HE22      GLN  72   2.782 -10.411  -1.042
  477    H    ALA  73           H        ALA  73  -1.617  -9.917  -2.352
  478    HA   ALA  73           HA       ALA  73   0.151  -7.740  -1.402
  479    HB1  ALA  73           HB1      ALA  73  -2.871  -7.410  -1.300
  480    HB2  ALA  73           HB2      ALA  73  -1.654  -6.309  -0.634
  481    HB3  ALA  73           HB3      ALA  73  -1.791  -6.519  -2.394
  482    H    VAL  74           H        VAL  74   0.942  -8.485   0.388
  483    HA   VAL  74           HA       VAL  74  -0.779  -9.802   2.463
  484    HB   VAL  74           HB       VAL  74   1.963 -10.631   1.469
  485   HG11  VAL  74          HG11      VAL  74   2.184 -10.664   3.888
  486   HG12  VAL  74          HG12      VAL  74   0.614 -11.496   4.057
  487   HG13  VAL  74          HG13      VAL  74   2.002 -12.315   3.312
  488   HG21  VAL  74          HG21      VAL  74   0.884 -12.864   1.316
  489   HG22  VAL  74          HG22      VAL  74  -0.645 -12.161   1.879
  490   HG23  VAL  74          HG23      VAL  74   0.044 -11.668   0.319
  491    H    LEU  75           H        LEU  75  -0.615  -8.785   4.401
  492    HA   LEU  75           HA       LEU  75   1.300  -6.621   4.736
  493    HB2  LEU  75           HB2      LEU  75  -1.000  -6.606   5.518
  494    HB3  LEU  75           HB3      LEU  75  -0.641  -7.817   6.693
  495    HG   LEU  75           HG       LEU  75   0.704  -6.312   8.032
  496   HD11  LEU  75          HD11      LEU  75   0.887  -4.618   5.510
  497   HD12  LEU  75          HD12      LEU  75   2.195  -5.120   6.616
  498   HD13  LEU  75          HD13      LEU  75   1.077  -3.871   7.094
  499   HD21  LEU  75          HD21      LEU  75  -0.722  -4.317   8.160
  500   HD22  LEU  75          HD22      LEU  75  -1.702  -5.774   7.780
  501   HD23  LEU  75          HD23      LEU  75  -1.205  -4.649   6.456
  502    H    LYS  76           H        LYS  76   3.001  -6.491   5.923
  503    HA   LYS  76           HA       LYS  76   4.207  -8.986   7.059
  504    HB2  LYS  76           HB2      LYS  76   5.560  -6.389   6.255
  505    HB3  LYS  76           HB3      LYS  76   6.362  -7.811   6.882
  506    HG2  LYS  76           HG2      LYS  76   4.820  -7.652   4.253
  507    HG3  LYS  76           HG3      LYS  76   6.570  -7.632   4.437
  508    HD2  LYS  76           HD2      LYS  76   4.748  -9.982   5.110
  509    HD3  LYS  76           HD3      LYS  76   5.742  -9.805   3.664
  510    HE2  LYS  76           HE2      LYS  76   7.796  -9.720   5.094
  511    HE3  LYS  76           HE3      LYS  76   6.780  -9.995   6.521
  512    HZ1  LYS  76           HZ1      LYS  76   6.056 -12.103   5.481
  513    HZ2  LYS  76           HZ2      LYS  76   7.686 -12.084   5.717
  514    HZ3  LYS  76           HZ3      LYS  76   7.086 -11.845   4.222
  515    H    GLY  77           H        GLY  77   3.599  -5.601   7.892
  516    HA2  GLY  77           HA2      GLY  77   2.449  -6.047  10.348
  517    HA3  GLY  77           HA3      GLY  77   4.177  -5.861  10.708
  518    H    MET  78           H        MET  78   3.305  -3.984  11.908
  519    HA   MET  78           HA       MET  78   2.923  -1.569  10.280
  520    HB2  MET  78           HB2      MET  78   2.742  -2.094  13.268
  521    HB3  MET  78           HB3      MET  78   2.666  -0.500  12.519
  522    HG2  MET  78           HG2      MET  78   0.398  -1.070  12.681
  523    HG3  MET  78           HG3      MET  78   0.811  -1.443  11.021
  524    HE1  MET  78           HE1      MET  78  -1.844  -2.424  12.194
  525    HE2  MET  78           HE2      MET  78  -1.259  -2.860  10.569
  526    HE3  MET  78           HE3      MET  78  -1.879  -4.122  11.661
  527    H    GLY  79           H        GLY  79   4.392   0.105  10.328
  528    HA2  GLY  79           HA2      GLY  79   7.200  -0.551  11.120
  529    HA3  GLY  79           HA3      GLY  79   6.743  -0.688   9.435
  Start of MODEL    9
    1    H    GLY   9           H        GLY   9 -10.169   3.822  11.533
    2    HA2  GLY   9           HA2      GLY   9  -9.982   3.735  14.456
    3    HA3  GLY   9           HA3      GLY   9  -8.867   3.024  13.294
    4    H    THR  10           H        THR  10  -6.871   3.806  13.759
    5    HA   THR  10           HA       THR  10  -6.481   6.729  13.940
    6    HB   THR  10           HB       THR  10  -6.767   5.907  16.207
    7    HG1  THR  10           HG1      THR  10  -5.204   7.128  16.921
    8   HG21  THR  10          HG21      THR  10  -4.985   4.638  17.317
    9   HG22  THR  10          HG22      THR  10  -4.105   4.460  15.783
   10   HG23  THR  10          HG23      THR  10  -5.676   3.660  16.010
   11    H    LEU  11           H        LEU  11  -4.285   7.396  13.752
   12    HA   LEU  11           HA       LEU  11  -3.429   6.320  11.267
   13    HB2  LEU  11           HB2      LEU  11  -3.336   8.798  12.353
   14    HB3  LEU  11           HB3      LEU  11  -1.700   8.238  12.712
   15    HG   LEU  11           HG       LEU  11  -1.725   9.602  10.763
   16   HD11  LEU  11          HD11      LEU  11  -0.476   8.334   9.241
   17   HD12  LEU  11          HD12      LEU  11  -1.204   6.796   9.759
   18   HD13  LEU  11          HD13      LEU  11  -0.104   7.687  10.844
   19   HD21  LEU  11          HD21      LEU  11  -2.766   8.756   8.618
   20   HD22  LEU  11          HD22      LEU  11  -3.916   9.321   9.856
   21   HD23  LEU  11          HD23      LEU  11  -3.664   7.592   9.583
   22    H    CYS  12           H        CYS  12  -2.038   4.983  10.750
   23    HA   CYS  12           HA       CYS  12   0.266   4.052  12.377
   24    HB2  CYS  12           HB2      CYS  12  -2.045   2.308  11.398
   25    HB3  CYS  12           HB3      CYS  12  -0.509   1.681  12.035
   26    HG   CYS  12           HG       CYS  12  -2.800   3.550  13.512
   27    H    THR  13           H        THR  13   1.853   2.980  11.114
   28    HA   THR  13           HA       THR  13   1.648   3.357   8.150
   29    HB   THR  13           HB       THR  13   4.063   2.535   9.800
   30    HG1  THR  13           HG1      THR  13   4.701   4.661   9.473
   31   HG21  THR  13          HG21      THR  13   3.765   3.601   6.949
   32   HG22  THR  13          HG22      THR  13   4.172   1.922   7.389
   33   HG23  THR  13          HG23      THR  13   5.297   3.227   7.765
   34    H    LEU  14           H        LEU  14   0.780   1.676   7.096
   35    HA   LEU  14           HA       LEU  14   1.297  -1.124   8.024
   36    HB2  LEU  14           HB2      LEU  14  -0.626   0.189   6.115
   37    HB3  LEU  14           HB3      LEU  14  -0.272  -1.530   6.015
   38    HG   LEU  14           HG       LEU  14  -1.294  -2.075   8.005
   39   HD11  LEU  14          HD11      LEU  14  -0.274  -0.549   9.580
   40   HD12  LEU  14          HD12      LEU  14  -2.020  -0.588   9.780
   41   HD13  LEU  14          HD13      LEU  14  -1.263   0.802   8.957
   42   HD21  LEU  14          HD21      LEU  14  -2.921  -1.246   6.317
   43   HD22  LEU  14          HD22      LEU  14  -2.837   0.375   7.034
   44   HD23  LEU  14          HD23      LEU  14  -3.509  -0.973   7.968
   45    H    GLU  15           H        GLU  15   2.959  -2.184   7.303
   46    HA   GLU  15           HA       GLU  15   4.380  -1.320   4.819
   47    HB2  GLU  15           HB2      GLU  15   5.310  -2.892   7.256
   48    HB3  GLU  15           HB3      GLU  15   6.249  -2.666   5.776
   49    HG2  GLU  15           HG2      GLU  15   6.060  -0.177   6.095
   50    HG3  GLU  15           HG3      GLU  15   5.307  -0.475   7.667
   51    H    PHE  16           H        PHE  16   3.276  -2.359   3.187
   52    HA   PHE  16           HA       PHE  16   2.781  -5.307   3.442
   53    HB2  PHE  16           HB2      PHE  16   1.682  -3.193   1.540
   54    HB3  PHE  16           HB3      PHE  16   1.465  -4.912   1.296
   55    HD1  PHE  16           HD2      PHE  16   0.435  -2.069   3.389
   56    HD2  PHE  16           HD1      PHE  16  -0.023  -6.266   2.561
   57    HE1  PHE  16           HE2      PHE  16  -1.826  -2.021   4.419
   58    HE2  PHE  16           HE1      PHE  16  -2.315  -6.222   3.588
   59    HZ   PHE  16           HZ       PHE  16  -3.217  -4.087   4.467
   60    H    ALA  17           H        ALA  17   3.684  -6.730   2.261
   61    HA   ALA  17           HA       ALA  17   5.688  -6.029   0.162
   62    HB1  ALA  17           HB1      ALA  17   6.183  -8.469   0.225
   63    HB2  ALA  17           HB2      ALA  17   6.353  -7.719   1.816
   64    HB3  ALA  17           HB3      ALA  17   4.917  -8.696   1.440
   65    H    VAL  18           H        VAL  18   5.294  -6.370  -2.043
   66    HA   VAL  18           HA       VAL  18   2.641  -7.515  -2.891
   67    HB   VAL  18           HB       VAL  18   2.470  -5.499  -4.450
   68   HG11  VAL  18          HG11      VAL  18   1.045  -5.688  -2.416
   69   HG12  VAL  18          HG12      VAL  18   2.310  -4.877  -1.460
   70   HG13  VAL  18          HG13      VAL  18   1.490  -4.011  -2.765
   71   HG21  VAL  18          HG21      VAL  18   4.443  -4.299  -2.533
   72   HG22  VAL  18          HG22      VAL  18   4.798  -4.772  -4.201
   73   HG23  VAL  18          HG23      VAL  18   3.579  -3.507  -3.868
   74    H    GLN  19           H        GLN  19   2.374  -8.137  -5.087
   75    HA   GLN  19           HA       GLN  19   4.921  -8.887  -6.426
   76    HB2  GLN  19           HB2      GLN  19   2.020  -9.533  -7.020
   77    HB3  GLN  19           HB3      GLN  19   3.380 -10.011  -8.051
   78    HG2  GLN  19           HG2      GLN  19   4.422 -11.208  -6.146
   79    HG3  GLN  19           HG3      GLN  19   3.063 -10.770  -5.112
   80   HE21  GLN  19          HE21      GLN  19   3.443 -13.326  -5.077
   81   HE22  GLN  19          HE22      GLN  19   2.338 -14.188  -6.154
   82    H    MET  20           H        MET  20   5.817  -6.875  -7.058
   83    HA   MET  20           HA       MET  20   4.951  -6.323  -9.816
   84    HB2  MET  20           HB2      MET  20   5.302  -3.856  -9.494
   85    HB3  MET  20           HB3      MET  20   3.809  -4.508  -8.810
   86    HG2  MET  20           HG2      MET  20   4.763  -4.459  -6.569
   87    HG3  MET  20           HG3      MET  20   6.315  -3.889  -7.212
   88    HE1  MET  20           HE1      MET  20   4.445  -1.203  -5.025
   89    HE2  MET  20           HE2      MET  20   5.251  -2.804  -5.011
   90    HE3  MET  20           HE3      MET  20   6.149  -1.356  -5.514
   91    H    THR  21           H        THR  21   6.619  -5.991 -11.203
   92    HA   THR  21           HA       THR  21   9.393  -5.817 -10.075
   93    HB   THR  21           HB       THR  21  10.097  -7.449 -11.780
   94    HG1  THR  21           HG1      THR  21   8.566  -8.608 -12.886
   95   HG21  THR  21          HG21      THR  21   7.834  -8.552 -10.069
   96   HG22  THR  21          HG22      THR  21   9.487  -8.228  -9.492
   97   HG23  THR  21          HG23      THR  21   9.209  -9.446 -10.747
   98    H    CYS  22           H        CYS  22   7.380  -4.115 -12.186
   99    HA   CYS  22           HA       CYS  22   9.748  -2.831 -13.337
  100    HB2  CYS  22           HB2      CYS  22   9.157  -2.990 -15.537
  101    HB3  CYS  22           HB3      CYS  22   8.852  -4.588 -14.903
  102    H    GLN  23           H        GLN  23   9.311  -0.695 -14.230
  103    HA   GLN  23           HA       GLN  23   8.551   0.882 -12.073
  104    HB2  GLN  23           HB2      GLN  23  10.250   1.366 -13.823
  105    HB3  GLN  23           HB3      GLN  23   8.963   1.675 -14.983
  106    HG2  GLN  23           HG2      GLN  23   9.868   3.762 -14.280
  107    HG3  GLN  23           HG3      GLN  23   8.251   3.654 -13.608
  108   HE21  GLN  23          HE21      GLN  23   8.092   3.100 -11.246
  109   HE22  GLN  23          HE22      GLN  23   9.408   3.640 -10.205
  110    H    SER  24           H        SER  24   6.402   0.027 -14.770
  111    HA   SER  24           HA       SER  24   4.506   2.183 -14.293
  112    HB2  SER  24           HB2      SER  24   3.872  -0.437 -15.675
  113    HB3  SER  24           HB3      SER  24   3.205   1.171 -15.998
  114    HG   SER  24           HG       SER  24   5.309   1.758 -16.806
  115    H    CYS  25           H        CYS  25   4.851  -0.998 -12.811
  116    HA   CYS  25           HA       CYS  25   2.119  -1.166 -11.850
  117    HB2  CYS  25           HB2      CYS  25   4.752  -2.394 -10.956
  118    HB3  CYS  25           HB3      CYS  25   3.163  -2.858 -10.360
  119    H    VAL  26           H        VAL  26   5.187   0.016 -10.569
  120    HA   VAL  26           HA       VAL  26   4.718   0.739  -7.959
  121    HB   VAL  26           HB       VAL  26   6.273   2.558  -9.843
  122   HG11  VAL  26          HG11      VAL  26   6.452   3.030  -7.441
  123   HG12  VAL  26          HG12      VAL  26   6.928   1.320  -7.134
  124   HG13  VAL  26          HG13      VAL  26   7.983   2.402  -8.059
  125   HG21  VAL  26          HG21      VAL  26   8.145   0.965  -9.715
  126   HG22  VAL  26          HG22      VAL  26   7.008  -0.239  -9.024
  127   HG23  VAL  26          HG23      VAL  26   6.788   0.384 -10.675
  128    H    ASP  27           H        ASP  27   4.288   2.944 -10.763
  129    HA   ASP  27           HA       ASP  27   2.980   5.073  -9.420
  130    HB2  ASP  27           HB2      ASP  27   3.917   4.886 -11.826
  131    HB3  ASP  27           HB3      ASP  27   2.406   4.120 -12.241
  132    H    ALA  28           H        ALA  28   1.760   2.051 -10.776
  133    HA   ALA  28           HA       ALA  28  -1.044   2.870 -10.668
  134    HB1  ALA  28           HB1      ALA  28  -0.108   1.198 -12.259
  135    HB2  ALA  28           HB2      ALA  28   0.063   0.050 -10.919
  136    HB3  ALA  28           HB3      ALA  28  -1.546   0.640 -11.381
  137    H    VAL  29           H        VAL  29   1.078   0.962  -8.415
  138    HA   VAL  29           HA       VAL  29  -1.022   0.543  -6.571
  139    HB   VAL  29           HB       VAL  29   1.918   0.717  -5.833
  140   HG11  VAL  29          HG11      VAL  29  -0.414  -0.960  -4.851
  141   HG12  VAL  29          HG12      VAL  29   1.208  -0.890  -4.119
  142   HG13  VAL  29          HG13      VAL  29   0.147   0.526  -4.030
  143   HG21  VAL  29          HG21      VAL  29   0.357  -1.538  -7.153
  144   HG22  VAL  29          HG22      VAL  29   1.960  -0.910  -7.574
  145   HG23  VAL  29          HG23      VAL  29   1.774  -1.862  -6.124
  146    H    ARG  30           H        ARG  30   1.364   3.185  -6.872
  147    HA   ARG  30           HA       ARG  30   0.640   4.668  -4.518
  148    HB2  ARG  30           HB2      ARG  30   1.598   5.592  -7.299
  149    HB3  ARG  30           HB3      ARG  30   1.557   6.625  -5.881
  150    HG2  ARG  30           HG2      ARG  30   3.291   5.467  -4.781
  151    HG3  ARG  30           HG3      ARG  30   3.134   4.045  -5.777
  152    HD2  ARG  30           HD2      ARG  30   4.802   4.758  -7.098
  153    HD3  ARG  30           HD3      ARG  30   3.791   6.085  -7.638
  154    HE   ARG  30           HE       ARG  30   5.923   6.170  -5.594
  155   HH11  ARG  30          HH11      ARG  30   3.493   8.187  -7.223
  156   HH12  ARG  30          HH12      ARG  30   4.131   9.617  -6.456
  157   HH21  ARG  30          HH21      ARG  30   6.631   7.978  -4.770
  158   HH22  ARG  30          HH22      ARG  30   5.983   9.529  -5.282
  159    H    LYS  31           H        LYS  31  -0.887   4.555  -7.726
  160    HA   LYS  31           HA       LYS  31  -2.706   6.718  -7.081
  161    HB2  LYS  31           HB2      LYS  31  -2.350   4.942  -9.486
  162    HB3  LYS  31           HB3      LYS  31  -3.663   6.151  -9.347
  163    HG2  LYS  31           HG2      LYS  31  -2.092   7.904  -8.783
  164    HG3  LYS  31           HG3      LYS  31  -0.723   6.777  -8.799
  165    HD2  LYS  31           HD2      LYS  31  -0.973   6.466 -11.206
  166    HD3  LYS  31           HD3      LYS  31  -2.394   7.571 -11.209
  167    HE2  LYS  31           HE2      LYS  31  -1.103   9.365 -10.246
  168    HE3  LYS  31           HE3      LYS  31   0.269   8.300  -9.955
  169    HZ1  LYS  31           HZ1      LYS  31   0.616   8.036 -12.315
  170    HZ2  LYS  31           HZ2      LYS  31   0.563   9.663 -12.032
  171    HZ3  LYS  31           HZ3      LYS  31  -0.733   8.891 -12.695
  172    H    SER  32           H        SER  32  -3.043   3.278  -6.576
  173    HA   SER  32           HA       SER  32  -5.920   3.424  -6.054
  174    HB2  SER  32           HB2      SER  32  -4.958   1.278  -6.238
  175    HB3  SER  32           HB3      SER  32  -3.719   1.619  -5.004
  176    HG   SER  32           HG       SER  32  -5.587   0.358  -4.281
  177    H    LEU  33           H        LEU  33  -2.994   4.260  -4.210
  178    HA   LEU  33           HA       LEU  33  -4.429   4.802  -1.731
  179    HB2  LEU  33           HB2      LEU  33  -1.604   5.644  -2.395
  180    HB3  LEU  33           HB3      LEU  33  -2.309   5.261  -0.822
  181    HG   LEU  33           HG       LEU  33  -1.783   3.196  -2.980
  182   HD11  LEU  33          HD11      LEU  33   0.203   2.560  -1.732
  183   HD12  LEU  33          HD12      LEU  33  -0.061   3.901  -0.592
  184   HD13  LEU  33          HD13      LEU  33   0.328   4.233  -2.289
  185   HD21  LEU  33          HD21      LEU  33  -2.297   2.882  -0.018
  186   HD22  LEU  33          HD22      LEU  33  -1.945   1.592  -1.193
  187   HD23  LEU  33          HD23      LEU  33  -3.452   2.515  -1.331
  188    H    GLN  34           H        GLN  34  -3.079   6.795  -4.356
  189    HA   GLN  34           HA       GLN  34  -3.150   9.288  -3.009
  190    HB2  GLN  34           HB2      GLN  34  -2.946   8.305  -5.808
  191    HB3  GLN  34           HB3      GLN  34  -3.313   9.981  -5.702
  192    HG2  GLN  34           HG2      GLN  34  -1.288  10.442  -4.435
  193    HG3  GLN  34           HG3      GLN  34  -0.975   8.720  -4.235
  194   HE21  GLN  34          HE21      GLN  34   1.171   9.072  -5.350
  195   HE22  GLN  34          HE22      GLN  34   1.136   9.040  -7.116
  196    H    GLY  35           H        GLY  35  -4.554  10.657  -2.567
  197    HA2  GLY  35           HA2      GLY  35  -6.520  11.845  -2.353
  198    HA3  GLY  35           HA3      GLY  35  -7.210  10.951  -3.701
  199    H    VAL  36           H        VAL  36  -6.168   8.840  -1.053
  200    HA   VAL  36           HA       VAL  36  -8.972   8.082  -0.722
  201    HB   VAL  36           HB       VAL  36  -6.390   6.930   0.365
  202   HG11  VAL  36          HG11      VAL  36  -8.115   6.450   2.046
  203   HG12  VAL  36          HG12      VAL  36  -9.247   5.930   0.773
  204   HG13  VAL  36          HG13      VAL  36  -7.777   4.994   1.112
  205   HG21  VAL  36          HG21      VAL  36  -6.916   6.582  -2.069
  206   HG22  VAL  36          HG22      VAL  36  -6.947   5.074  -1.146
  207   HG23  VAL  36          HG23      VAL  36  -8.469   5.866  -1.606
  208    H    ALA  37           H        ALA  37 -10.276   8.978   0.645
  209    HA   ALA  37           HA       ALA  37  -9.624  10.683   2.814
  210    HB1  ALA  37           HB1      ALA  37 -12.104   8.963   2.375
  211    HB2  ALA  37           HB2      ALA  37 -11.974  10.334   3.500
  212    HB3  ALA  37           HB3      ALA  37 -11.833  10.607   1.751
  213    H    GLY  38           H        GLY  38  -8.488  10.223   4.568
  214    HA2  GLY  38           HA2      GLY  38  -8.212   9.129   6.708
  215    HA3  GLY  38           HA3      GLY  38  -8.750   7.607   6.004
  216    H    VAL  39           H        VAL  39  -6.650   9.039   3.719
  217    HA   VAL  39           HA       VAL  39  -4.243   7.746   4.879
  218    HB   VAL  39           HB       VAL  39  -5.154   7.504   2.423
  219   HG11  VAL  39          HG11      VAL  39  -5.056   9.936   1.840
  220   HG12  VAL  39          HG12      VAL  39  -3.289   9.845   1.957
  221   HG13  VAL  39          HG13      VAL  39  -4.153   8.869   0.758
  222   HG21  VAL  39          HG21      VAL  39  -3.145   6.399   3.340
  223   HG22  VAL  39          HG22      VAL  39  -2.869   6.961   1.686
  224   HG23  VAL  39          HG23      VAL  39  -2.188   7.869   3.052
  225    H    GLN  40           H        GLN  40  -2.508   8.881   5.616
  226    HA   GLN  40           HA       GLN  40  -2.503  11.873   5.426
  227    HB2  GLN  40           HB2      GLN  40  -1.093   9.852   7.195
  228    HB3  GLN  40           HB3      GLN  40  -0.341  11.399   6.857
  229    HG2  GLN  40           HG2      GLN  40  -2.475  12.541   7.627
  230    HG3  GLN  40           HG3      GLN  40  -3.011  10.962   8.206
  231   HE21  GLN  40          HE21      GLN  40  -2.817  12.864  10.175
  232   HE22  GLN  40          HE22      GLN  40  -1.312  12.672  11.071
  233    H    ASP  41           H        ASP  41  -0.439   9.005   4.803
  234    HA   ASP  41           HA       ASP  41   1.039  10.399   2.663
  235    HB2  ASP  41           HB2      ASP  41   2.264   9.480   5.293
  236    HB3  ASP  41           HB3      ASP  41   3.207   9.699   3.857
  237    H    VAL  42           H        VAL  42   2.553   8.979   1.667
  238    HA   VAL  42           HA       VAL  42   2.232   6.062   1.922
  239    HB   VAL  42           HB       VAL  42   1.707   5.749  -0.400
  240   HG11  VAL  42          HG11      VAL  42  -0.221   5.913   1.113
  241   HG12  VAL  42          HG12      VAL  42  -0.327   7.665   0.813
  242   HG13  VAL  42          HG13      VAL  42  -0.609   6.549  -0.502
  243   HG21  VAL  42          HG21      VAL  42   2.663   7.753  -1.475
  244   HG22  VAL  42          HG22      VAL  42   0.991   7.495  -1.948
  245   HG23  VAL  42          HG23      VAL  42   1.380   8.751  -0.753
  246    H    GLU  43           H        GLU  43   3.991   4.894   0.889
  247    HA   GLU  43           HA       GLU  43   5.729   6.306  -0.942
  248    HB2  GLU  43           HB2      GLU  43   6.555   6.825   1.427
  249    HB3  GLU  43           HB3      GLU  43   6.919   5.124   1.617
  250    HG2  GLU  43           HG2      GLU  43   8.666   5.199   0.194
  251    HG3  GLU  43           HG3      GLU  43   7.969   6.404  -0.887
  252    H    VAL  44           H        VAL  44   6.792   4.731  -2.396
  253    HA   VAL  44           HA       VAL  44   6.387   1.855  -1.666
  254    HB   VAL  44           HB       VAL  44   4.798   2.399  -3.296
  255   HG11  VAL  44          HG11      VAL  44   5.694   4.333  -4.412
  256   HG12  VAL  44          HG12      VAL  44   7.007   3.350  -5.114
  257   HG13  VAL  44          HG13      VAL  44   5.309   3.030  -5.551
  258   HG21  VAL  44          HG21      VAL  44   7.110   0.907  -4.572
  259   HG22  VAL  44          HG22      VAL  44   5.954   0.220  -3.402
  260   HG23  VAL  44          HG23      VAL  44   5.390   0.797  -4.990
  261    H    HIS  45           H        HIS  45   8.042   0.627  -1.634
  262    HA   HIS  45           HA       HIS  45  10.608   1.497  -2.887
  263    HB2  HIS  45           HB2      HIS  45  10.140  -0.018  -0.311
  264    HB3  HIS  45           HB3      HIS  45  11.655  -0.099  -1.189
  265    HD1  HIS  45           HD1      HIS  45  13.350   1.868  -0.896
  266    HD2  HIS  45           HD2      HIS  45   9.499   2.548   0.694
  267    HE1  HIS  45           HE1      HIS  45  13.497   4.040   0.419
  268    H    LEU  46           H        LEU  46   9.938   0.720  -4.792
  269    HA   LEU  46           HA       LEU  46   9.184  -1.920  -5.544
  270    HB2  LEU  46           HB2      LEU  46   9.134   0.168  -6.860
  271    HB3  LEU  46           HB3      LEU  46  10.862   0.317  -6.798
  272    HG   LEU  46           HG       LEU  46   9.913  -0.376  -8.974
  273   HD11  LEU  46          HD11      LEU  46  11.816  -2.481  -7.939
  274   HD12  LEU  46          HD12      LEU  46  12.285  -0.791  -8.185
  275   HD13  LEU  46          HD13      LEU  46  11.700  -1.761  -9.556
  276   HD21  LEU  46          HD21      LEU  46   9.447  -3.098  -7.699
  277   HD22  LEU  46          HD22      LEU  46   9.146  -2.615  -9.380
  278   HD23  LEU  46          HD23      LEU  46   8.168  -1.918  -8.069
  279    H    GLU  47           H        GLU  47  12.263  -0.458  -4.844
  280    HA   GLU  47           HA       GLU  47  14.082  -2.566  -5.389
  281    HB2  GLU  47           HB2      GLU  47  15.345  -1.282  -3.380
  282    HB3  GLU  47           HB3      GLU  47  15.322  -0.736  -5.049
  283    HG2  GLU  47           HG2      GLU  47  13.834   0.996  -4.643
  284    HG3  GLU  47           HG3      GLU  47  13.118   0.208  -3.256
  285    H    ASP  48           H        ASP  48  11.809  -2.425  -2.729
  286    HA   ASP  48           HA       ASP  48  12.990  -4.991  -1.740
  287    HB2  ASP  48           HB2      ASP  48  12.811  -2.865  -0.105
  288    HB3  ASP  48           HB3      ASP  48  11.148  -3.333  -0.021
  289    H    GLN  49           H        GLN  49  10.665  -3.884  -3.698
  290    HA   GLN  49           HA       GLN  49   8.494  -4.151  -4.163
  291    HB2  GLN  49           HB2      GLN  49   8.710  -6.953  -3.026
  292    HB3  GLN  49           HB3      GLN  49   7.562  -6.336  -4.195
  293    HG2  GLN  49           HG2      GLN  49   9.311  -5.897  -5.833
  294    HG3  GLN  49           HG3      GLN  49  10.379  -6.737  -4.715
  295   HE21  GLN  49          HE21      GLN  49   8.127  -7.160  -7.257
  296   HE22  GLN  49          HE22      GLN  49   7.838  -8.890  -7.092
  297    H    MET  50           H        MET  50   9.099  -2.967  -1.581
  298    HA   MET  50           HA       MET  50   6.799  -3.810   0.101
  299    HB2  MET  50           HB2      MET  50   9.100  -3.652   1.094
  300    HB3  MET  50           HB3      MET  50   9.117  -1.937   0.714
  301    HG2  MET  50           HG2      MET  50   8.561  -2.188   3.028
  302    HG3  MET  50           HG3      MET  50   7.168  -1.577   2.195
  303    HE1  MET  50           HE1      MET  50   7.167  -6.077   3.242
  304    HE2  MET  50           HE2      MET  50   7.742  -5.450   1.689
  305    HE3  MET  50           HE3      MET  50   8.713  -5.173   3.153
  306    H    VAL  51           H        VAL  51   5.241  -2.315   0.842
  307    HA   VAL  51           HA       VAL  51   5.226   0.423  -0.318
  308    HB   VAL  51           HB       VAL  51   2.618  -1.078   0.037
  309   HG11  VAL  51          HG11      VAL  51   3.637   1.096  -1.837
  310   HG12  VAL  51          HG12      VAL  51   1.950   0.535  -1.724
  311   HG13  VAL  51          HG13      VAL  51   2.693   1.390  -0.358
  312   HG21  VAL  51          HG21      VAL  51   3.766  -2.577  -1.411
  313   HG22  VAL  51          HG22      VAL  51   2.612  -1.647  -2.363
  314   HG23  VAL  51          HG23      VAL  51   4.351  -1.251  -2.448
  315    H    LEU  52           H        LEU  52   4.779   1.982   1.058
  316    HA   LEU  52           HA       LEU  52   3.953   1.394   3.865
  317    HB2  LEU  52           HB2      LEU  52   5.468   3.744   2.624
  318    HB3  LEU  52           HB3      LEU  52   4.885   3.710   4.260
  319    HG   LEU  52           HG       LEU  52   6.384   1.525   4.482
  320   HD11  LEU  52          HD11      LEU  52   8.454   1.660   3.128
  321   HD12  LEU  52          HD12      LEU  52   7.699   2.918   2.121
  322   HD13  LEU  52          HD13      LEU  52   7.052   1.263   2.138
  323   HD21  LEU  52          HD21      LEU  52   8.297   2.944   5.127
  324   HD22  LEU  52          HD22      LEU  52   6.770   3.649   5.674
  325   HD23  LEU  52          HD23      LEU  52   7.581   4.313   4.242
  326    H    VAL  53           H        VAL  53   2.082   2.050   4.501
  327    HA   VAL  53           HA       VAL  53   0.623   4.238   3.085
  328    HB   VAL  53           HB       VAL  53  -0.612   1.629   4.035
  329   HG11  VAL  53          HG11      VAL  53  -1.724   3.958   2.380
  330   HG12  VAL  53          HG12      VAL  53  -2.615   2.488   2.828
  331   HG13  VAL  53          HG13      VAL  53  -2.118   3.632   4.078
  332   HG21  VAL  53          HG21      VAL  53   0.068   2.504   1.212
  333   HG22  VAL  53          HG22      VAL  53   0.667   1.073   2.072
  334   HG23  VAL  53          HG23      VAL  53  -1.034   1.165   1.614
  335    H    HIS  54           H        HIS  54   0.693   5.811   4.559
  336    HA   HIS  54           HA       HIS  54   0.456   5.278   7.449
  337    HB2  HIS  54           HB2      HIS  54   0.804   7.889   5.965
  338    HB3  HIS  54           HB3      HIS  54   0.971   7.655   7.672
  339    HD1  HIS  54           HD1      HIS  54   3.355   7.262   8.517
  340    HD2  HIS  54           HD2      HIS  54   2.813   6.437   4.442
  341    HE1  HIS  54           HE1      HIS  54   5.688   6.834   7.549
  342    H    THR  55           H        THR  55  -1.706   4.782   7.971
  343    HA   THR  55           HA       THR  55  -3.873   6.655   7.121
  344    HB   THR  55           HB       THR  55  -3.585   5.071   5.270
  345    HG1  THR  55           HG1      THR  55  -5.695   5.780   5.933
  346   HG21  THR  55          HG21      THR  55  -2.718   3.074   6.504
  347   HG22  THR  55          HG22      THR  55  -4.109   2.703   5.474
  348   HG23  THR  55          HG23      THR  55  -4.325   2.847   7.229
  349    H    THR  56           H        THR  56  -5.982   6.208   8.083
  350    HA   THR  56           HA       THR  56  -5.909   4.954  10.763
  351    HB   THR  56           HB       THR  56  -8.085   6.046  11.090
  352    HG1  THR  56           HG1      THR  56  -8.794   7.473   9.410
  353   HG21  THR  56          HG21      THR  56  -5.945   7.352  11.444
  354   HG22  THR  56          HG22      THR  56  -7.383   8.331  11.117
  355   HG23  THR  56          HG23      THR  56  -6.185   8.062   9.836
  356    H    LEU  57           H        LEU  57  -6.698   3.920   7.669
  357    HA   LEU  57           HA       LEU  57  -9.097   2.407   8.083
  358    HB2  LEU  57           HB2      LEU  57  -6.829   2.189   6.057
  359    HB3  LEU  57           HB3      LEU  57  -8.354   1.337   5.890
  360    HG   LEU  57           HG       LEU  57  -8.021   4.379   5.920
  361   HD11  LEU  57          HD11      LEU  57  -8.609   4.203   3.540
  362   HD12  LEU  57          HD12      LEU  57  -8.660   2.432   3.668
  363   HD13  LEU  57          HD13      LEU  57  -7.124   3.306   3.899
  364   HD21  LEU  57          HD21      LEU  57 -10.391   4.395   5.156
  365   HD22  LEU  57          HD22      LEU  57 -10.207   3.825   6.814
  366   HD23  LEU  57          HD23      LEU  57 -10.494   2.656   5.504
  367    HA   PRO  58           HA       PRO  58  -7.507  -1.363   9.846
  368    HB2  PRO  58           HB2      PRO  58  -9.401  -3.021   8.272
  369    HB3  PRO  58           HB3      PRO  58  -9.392  -2.752  10.031
  370    HG2  PRO  58           HG2      PRO  58 -11.332  -1.684   8.422
  371    HG3  PRO  58           HG3      PRO  58 -10.677  -0.756   9.814
  372    HD2  PRO  58           HD2      PRO  58  -9.731  -0.667   6.937
  373    HD3  PRO  58           HD3      PRO  58 -10.344   0.677   7.828
  374    H    SER  59           H        SER  59  -5.806  -2.879   9.199
  375    HA   SER  59           HA       SER  59  -4.812  -2.595   6.535
  376    HB2  SER  59           HB2      SER  59  -3.812  -5.029   7.773
  377    HB3  SER  59           HB3      SER  59  -2.971  -3.568   7.252
  378    HG   SER  59           HG       SER  59  -3.846  -4.382   9.724
  379    H    GLN  60           H        GLN  60  -6.940  -5.044   7.913
  380    HA   GLN  60           HA       GLN  60  -7.281  -6.850   5.815
  381    HB2  GLN  60           HB2      GLN  60  -8.148  -7.036   8.067
  382    HB3  GLN  60           HB3      GLN  60  -9.143  -5.584   7.883
  383    HG2  GLN  60           HG2      GLN  60 -10.634  -6.700   6.355
  384    HG3  GLN  60           HG3      GLN  60  -9.533  -8.075   6.218
  385   HE21  GLN  60          HE21      GLN  60 -11.802  -6.548   8.519
  386   HE22  GLN  60          HE22      GLN  60 -12.035  -8.151   9.233
  387    H    GLU  61           H        GLU  61  -8.430  -3.453   5.984
  388    HA   GLU  61           HA       GLU  61 -10.061  -3.708   3.544
  389    HB2  GLU  61           HB2      GLU  61 -10.532  -2.244   5.602
  390    HB3  GLU  61           HB3      GLU  61  -9.208  -1.201   5.016
  391    HG2  GLU  61           HG2      GLU  61 -10.365  -0.783   2.958
  392    HG3  GLU  61           HG3      GLU  61 -11.649  -1.926   3.428
  393    H    VAL  62           H        VAL  62  -6.911  -2.223   4.540
  394    HA   VAL  62           HA       VAL  62  -6.389  -1.017   2.047
  395    HB   VAL  62           HB       VAL  62  -4.251  -1.914   4.017
  396   HG11  VAL  62          HG11      VAL  62  -3.114   0.117   3.254
  397   HG12  VAL  62          HG12      VAL  62  -3.518  -0.889   1.862
  398   HG13  VAL  62          HG13      VAL  62  -4.511   0.534   2.225
  399   HG21  VAL  62          HG21      VAL  62  -4.531   0.366   5.075
  400   HG22  VAL  62          HG22      VAL  62  -6.100   0.494   4.236
  401   HG23  VAL  62          HG23      VAL  62  -5.793  -0.778   5.438
  402    H    GLN  63           H        GLN  63  -5.630  -4.306   3.241
  403    HA   GLN  63           HA       GLN  63  -3.975  -5.185   1.075
  404    HB2  GLN  63           HB2      GLN  63  -4.417  -6.573   3.083
  405    HB3  GLN  63           HB3      GLN  63  -6.098  -6.685   2.650
  406    HG2  GLN  63           HG2      GLN  63  -5.137  -7.710   0.354
  407    HG3  GLN  63           HG3      GLN  63  -3.691  -7.993   1.346
  408   HE21  GLN  63          HE21      GLN  63  -6.350  -9.553   0.123
  409   HE22  GLN  63          HE22      GLN  63  -6.655 -10.638   1.498
  410    H    ALA  64           H        ALA  64  -7.612  -4.938   1.221
  411    HA   ALA  64           HA       ALA  64  -7.817  -6.177  -1.404
  412    HB1  ALA  64           HB1      ALA  64 -10.222  -5.587  -1.156
  413    HB2  ALA  64           HB2      ALA  64  -9.600  -6.381   0.300
  414    HB3  ALA  64           HB3      ALA  64  -9.849  -4.622   0.289
  415    H    LEU  65           H        LEU  65  -7.622  -2.860  -0.097
  416    HA   LEU  65           HA       LEU  65  -8.260  -1.481  -2.494
  417    HB2  LEU  65           HB2      LEU  65  -6.665  -0.729  -0.058
  418    HB3  LEU  65           HB3      LEU  65  -6.932   0.371  -1.379
  419    HG   LEU  65           HG       LEU  65  -9.179  -0.959   0.213
  420   HD11  LEU  65          HD11      LEU  65  -7.867   0.602   1.596
  421   HD12  LEU  65          HD12      LEU  65  -9.478   1.240   1.255
  422   HD13  LEU  65          HD13      LEU  65  -8.071   1.870   0.364
  423   HD21  LEU  65          HD21      LEU  65 -10.628   0.753  -0.794
  424   HD22  LEU  65          HD22      LEU  65  -9.928  -0.260  -2.052
  425   HD23  LEU  65          HD23      LEU  65  -9.271   1.363  -1.759
  426    H    LEU  66           H        LEU  66  -5.184  -2.536  -1.160
  427    HA   LEU  66           HA       LEU  66  -3.431  -1.843  -3.333
  428    HB2  LEU  66           HB2      LEU  66  -3.320  -3.910  -1.099
  429    HB3  LEU  66           HB3      LEU  66  -1.986  -3.651  -2.205
  430    HG   LEU  66           HG       LEU  66  -3.102  -1.317  -0.607
  431   HD11  LEU  66          HD11      LEU  66  -1.383  -1.780   1.107
  432   HD12  LEU  66          HD12      LEU  66  -1.017  -3.335   0.321
  433   HD13  LEU  66          HD13      LEU  66  -2.608  -3.041   1.062
  434   HD21  LEU  66          HD21      LEU  66  -0.785  -0.496  -0.846
  435   HD22  LEU  66          HD22      LEU  66  -1.525  -0.805  -2.425
  436   HD23  LEU  66          HD23      LEU  66  -0.349  -1.957  -1.750
  437    H    GLU  67           H        GLU  67  -5.268  -4.874  -2.633
  438    HA   GLU  67           HA       GLU  67  -4.277  -6.403  -4.802
  439    HB2  GLU  67           HB2      GLU  67  -6.751  -6.420  -3.093
  440    HB3  GLU  67           HB3      GLU  67  -6.757  -7.426  -4.476
  441    HG2  GLU  67           HG2      GLU  67  -4.366  -8.224  -3.531
  442    HG3  GLU  67           HG3      GLU  67  -5.014  -7.635  -2.021
  443    H    GLY  68           H        GLY  68  -6.892  -3.988  -4.820
  444    HA2  GLY  68           HA2      GLY  68  -7.810  -4.372  -7.502
  445    HA3  GLY  68           HA3      GLY  68  -7.908  -2.879  -6.572
  446    H    THR  69           H        THR  69  -4.697  -3.364  -6.544
  447    HA   THR  69           HA       THR  69  -4.154  -1.706  -8.918
  448    HB   THR  69           HB       THR  69  -1.936  -1.381  -8.064
  449    HG1  THR  69           HG1      THR  69  -2.465  -3.242  -6.045
  450   HG21  THR  69          HG21      THR  69  -3.359   0.023  -6.917
  451   HG22  THR  69          HG22      THR  69  -2.415  -0.741  -5.628
  452   HG23  THR  69          HG23      THR  69  -4.067  -1.248  -5.899
  453    H    GLY  70           H        GLY  70  -4.596  -4.937  -8.535
  454    HA2  GLY  70           HA2      GLY  70  -4.727  -6.297 -10.455
  455    HA3  GLY  70           HA3      GLY  70  -3.422  -5.390 -11.220
  456    H    ARG  71           H        ARG  71  -3.196  -6.658  -7.930
  457    HA   ARG  71           HA       ARG  71  -1.351  -8.830  -8.636
  458    HB2  ARG  71           HB2      ARG  71   0.553  -7.757  -7.454
  459    HB3  ARG  71           HB3      ARG  71   0.043  -6.932  -8.909
  460    HG2  ARG  71           HG2      ARG  71  -1.366  -5.411  -7.217
  461    HG3  ARG  71           HG3      ARG  71  -0.298  -6.078  -6.013
  462    HD2  ARG  71           HD2      ARG  71   0.658  -4.014  -6.731
  463    HD3  ARG  71           HD3      ARG  71   1.657  -5.247  -7.493
  464    HE   ARG  71           HE       ARG  71  -0.445  -3.543  -8.775
  465   HH11  ARG  71          HH11      ARG  71   2.093  -5.944  -9.429
  466   HH12  ARG  71          HH12      ARG  71   1.941  -5.662 -11.148
  467   HH21  ARG  71          HH21      ARG  71  -0.677  -3.484 -10.893
  468   HH22  ARG  71          HH22      ARG  71   0.437  -4.299 -11.961
  469    H    GLN  72           H        GLN  72  -0.309  -9.717  -6.670
  470    HA   GLN  72           HA       GLN  72  -2.135  -9.939  -4.394
  471    HB2  GLN  72           HB2      GLN  72  -0.906 -11.857  -5.455
  472    HB3  GLN  72           HB3      GLN  72   0.590 -11.212  -4.792
  473    HG2  GLN  72           HG2      GLN  72  -0.367 -13.048  -3.436
  474    HG3  GLN  72           HG3      GLN  72  -0.230 -11.551  -2.523
  475   HE21  GLN  72          HE21      GLN  72  -1.977 -11.269  -1.176
  476   HE22  GLN  72          HE22      GLN  72  -3.592 -11.820  -1.545
  477    H    ALA  73           H        ALA  73  -1.603  -9.540  -2.355
  478    HA   ALA  73           HA       ALA  73   0.661  -7.760  -1.561
  479    HB1  ALA  73           HB1      ALA  73  -0.888  -6.349  -0.283
  480    HB2  ALA  73           HB2      ALA  73  -1.301  -6.304  -2.009
  481    HB3  ALA  73           HB3      ALA  73  -2.278  -7.275  -0.890
  482    H    VAL  74           H        VAL  74   1.436  -8.220   0.441
  483    HA   VAL  74           HA       VAL  74   0.018 -10.005   2.345
  484    HB   VAL  74           HB       VAL  74   2.836 -10.409   1.297
  485   HG11  VAL  74          HG11      VAL  74   2.977 -12.307   2.917
  486   HG12  VAL  74          HG12      VAL  74   2.896 -10.751   3.729
  487   HG13  VAL  74          HG13      VAL  74   1.445 -11.780   3.647
  488   HG21  VAL  74          HG21      VAL  74   0.383 -12.196   1.382
  489   HG22  VAL  74          HG22      VAL  74   1.105 -11.496  -0.084
  490   HG23  VAL  74          HG23      VAL  74   1.991 -12.723   0.823
  491    H    LEU  75           H        LEU  75  -0.033  -8.921   4.183
  492    HA   LEU  75           HA       LEU  75   1.662  -6.624   4.664
  493    HB2  LEU  75           HB2      LEU  75  -0.677  -6.828   5.311
  494    HB3  LEU  75           HB3      LEU  75  -0.286  -8.001   6.518
  495    HG   LEU  75           HG       LEU  75   0.782  -6.391   7.943
  496   HD11  LEU  75          HD11      LEU  75   1.053  -3.917   7.021
  497   HD12  LEU  75          HD12      LEU  75   1.102  -4.691   5.436
  498   HD13  LEU  75          HD13      LEU  75   2.305  -5.070   6.697
  499   HD21  LEU  75          HD21      LEU  75  -0.753  -4.523   7.949
  500   HD22  LEU  75          HD22      LEU  75  -1.647  -6.006   7.454
  501   HD23  LEU  75          HD23      LEU  75  -1.069  -4.844   6.203
  502    H    LYS  76           H        LYS  76   3.308  -6.309   5.855
  503    HA   LYS  76           HA       LYS  76   4.643  -8.656   7.160
  504    HB2  LYS  76           HB2      LYS  76   5.931  -6.172   5.981
  505    HB3  LYS  76           HB3      LYS  76   6.759  -7.448   6.830
  506    HG2  LYS  76           HG2      LYS  76   5.391  -7.590   4.141
  507    HG3  LYS  76           HG3      LYS  76   7.095  -7.848   4.519
  508    HD2  LYS  76           HD2      LYS  76   4.780  -9.720   5.093
  509    HD3  LYS  76           HD3      LYS  76   6.088  -9.950   3.939
  510    HE2  LYS  76           HE2      LYS  76   7.731 -10.151   5.746
  511    HE3  LYS  76           HE3      LYS  76   6.491  -9.786   6.958
  512    HZ1  LYS  76           HZ1      LYS  76   6.565 -12.164   5.197
  513    HZ2  LYS  76           HZ2      LYS  76   5.302 -11.811   6.191
  514    HZ3  LYS  76           HZ3      LYS  76   6.757 -12.179   6.827
  515    H    GLY  77           H        GLY  77   3.562  -5.412   7.841
  516    HA2  GLY  77           HA2      GLY  77   2.523  -6.014  10.173
  517    HA3  GLY  77           HA3      GLY  77   4.185  -5.682  10.701
  518    H    MET  78           H        MET  78   2.973  -4.119  11.959
  519    HA   MET  78           HA       MET  78   2.231  -1.598  10.615
  520    HB2  MET  78           HB2      MET  78   1.814  -2.584  13.470
  521    HB3  MET  78           HB3      MET  78   1.333  -1.022  12.821
  522    HG2  MET  78           HG2      MET  78  -0.650  -2.192  12.578
  523    HG3  MET  78           HG3      MET  78   0.079  -2.423  10.997
  524    HE1  MET  78           HE1      MET  78  -1.127  -4.340  10.193
  525    HE2  MET  78           HE2      MET  78  -1.536  -5.821  11.092
  526    HE3  MET  78           HE3      MET  78  -2.240  -4.258  11.580
  527    H    GLY  79           H        GLY  79   3.983  -0.332  10.280
  528    HA2  GLY  79           HA2      GLY  79   5.941   0.841  10.629
  529    HA3  GLY  79           HA3      GLY  79   5.824   0.499  12.356
  Start of MODEL   10
    1    H    GLY   9           H        GLY   9 -10.668   5.804  14.730
    2    HA2  GLY   9           HA2      GLY   9  -8.745   3.797  13.865
    3    HA3  GLY   9           HA3      GLY   9  -9.500   4.822  12.641
    4    H    THR  10           H        THR  10  -6.823   4.566  14.023
    5    HA   THR  10           HA       THR  10  -6.228   7.457  14.219
    6    HB   THR  10           HB       THR  10  -6.292   6.606  16.474
    7    HG1  THR  10           HG1      THR  10  -4.219   7.214  17.102
    8   HG21  THR  10          HG21      THR  10  -4.642   4.984  17.315
    9   HG22  THR  10          HG22      THR  10  -4.033   4.723  15.667
   10   HG23  THR  10          HG23      THR  10  -5.686   4.230  16.101
   11    H    LEU  11           H        LEU  11  -4.228   8.144  13.606
   12    HA   LEU  11           HA       LEU  11  -3.416   6.840  11.174
   13    HB2  LEU  11           HB2      LEU  11  -3.563   9.435  11.886
   14    HB3  LEU  11           HB3      LEU  11  -1.876   9.101  12.280
   15    HG   LEU  11           HG       LEU  11  -2.145  10.235  10.152
   16   HD11  LEU  11          HD11      LEU  11  -0.192   8.748  10.521
   17   HD12  LEU  11          HD12      LEU  11  -0.648   9.006   8.835
   18   HD13  LEU  11          HD13      LEU  11  -1.056   7.461   9.627
   19   HD21  LEU  11          HD21      LEU  11  -4.212   9.379   9.291
   20   HD22  LEU  11          HD22      LEU  11  -3.555   7.733   9.219
   21   HD23  LEU  11          HD23      LEU  11  -2.915   8.977   8.145
   22    H    CYS  12           H        CYS  12  -1.989   5.541  10.843
   23    HA   CYS  12           HA       CYS  12   0.501   5.054  12.371
   24    HB2  CYS  12           HB2      CYS  12  -1.820   3.082  12.135
   25    HB3  CYS  12           HB3      CYS  12  -0.160   2.575  12.485
   26    HG   CYS  12           HG       CYS  12   0.188   4.008  14.611
   27    H    THR  13           H        THR  13   1.939   3.591  11.240
   28    HA   THR  13           HA       THR  13   1.542   3.573   8.282
   29    HB   THR  13           HB       THR  13   3.951   2.911   9.975
   30    HG1  THR  13           HG1      THR  13   4.688   4.818   9.115
   31   HG21  THR  13          HG21      THR  13   4.003   1.618   7.835
   32   HG22  THR  13          HG22      THR  13   5.180   2.932   7.818
   33   HG23  THR  13          HG23      THR  13   3.646   3.111   6.937
   34    H    LEU  14           H        LEU  14   1.132   1.834   7.158
   35    HA   LEU  14           HA       LEU  14   1.451  -0.920   8.327
   36    HB2  LEU  14           HB2      LEU  14  -0.779   0.377   6.883
   37    HB3  LEU  14           HB3      LEU  14  -0.319  -1.234   6.318
   38    HG   LEU  14           HG       LEU  14  -0.517  -0.702   9.321
   39   HD11  LEU  14          HD11      LEU  14  -2.601   0.060   8.399
   40   HD12  LEU  14          HD12      LEU  14  -2.768  -1.456   9.314
   41   HD13  LEU  14          HD13      LEU  14  -2.779  -1.489   7.510
   42   HD21  LEU  14          HD21      LEU  14   0.452  -2.849   8.626
   43   HD22  LEU  14          HD22      LEU  14  -0.885  -3.102   7.485
   44   HD23  LEU  14          HD23      LEU  14  -1.186  -3.132   9.231
   45    H    GLU  15           H        GLU  15   2.454  -2.376   7.220
   46    HA   GLU  15           HA       GLU  15   4.107  -1.413   4.892
   47    HB2  GLU  15           HB2      GLU  15   5.095  -2.998   7.275
   48    HB3  GLU  15           HB3      GLU  15   6.001  -2.541   5.820
   49    HG2  GLU  15           HG2      GLU  15   5.560  -0.134   6.407
   50    HG3  GLU  15           HG3      GLU  15   4.923  -0.682   7.964
   51    H    PHE  16           H        PHE  16   3.093  -2.463   3.306
   52    HA   PHE  16           HA       PHE  16   2.623  -5.424   3.511
   53    HB2  PHE  16           HB2      PHE  16   1.482  -3.233   1.718
   54    HB3  PHE  16           HB3      PHE  16   1.256  -4.931   1.402
   55    HD1  PHE  16           HD1      PHE  16   0.407  -2.264   3.826
   56    HD2  PHE  16           HD2      PHE  16  -0.339  -6.282   2.460
   57    HE1  PHE  16           HE1      PHE  16  -1.793  -2.247   4.990
   58    HE2  PHE  16           HE2      PHE  16  -2.586  -6.238   3.572
   59    HZ   PHE  16           HZ       PHE  16  -3.308  -4.213   4.797
   60    H    ALA  17           H        ALA  17   3.458  -6.819   2.209
   61    HA   ALA  17           HA       ALA  17   5.465  -6.041   0.164
   62    HB1  ALA  17           HB1      ALA  17   6.038  -7.960   1.562
   63    HB2  ALA  17           HB2      ALA  17   4.500  -8.763   1.160
   64    HB3  ALA  17           HB3      ALA  17   5.730  -8.524  -0.092
   65    H    VAL  18           H        VAL  18   5.103  -6.430  -2.085
   66    HA   VAL  18           HA       VAL  18   2.394  -7.232  -3.011
   67    HB   VAL  18           HB       VAL  18   2.423  -5.183  -4.556
   68   HG11  VAL  18          HG11      VAL  18   1.437  -3.669  -2.939
   69   HG12  VAL  18          HG12      VAL  18   0.915  -5.319  -2.577
   70   HG13  VAL  18          HG13      VAL  18   2.173  -4.546  -1.585
   71   HG21  VAL  18          HG21      VAL  18   3.643  -3.267  -3.862
   72   HG22  VAL  18          HG22      VAL  18   4.444  -4.171  -2.559
   73   HG23  VAL  18          HG23      VAL  18   4.769  -4.599  -4.246
   74    H    GLN  19           H        GLN  19   2.253  -7.552  -5.437
   75    HA   GLN  19           HA       GLN  19   4.881  -8.598  -6.443
   76    HB2  GLN  19           HB2      GLN  19   2.019  -9.020  -7.326
   77    HB3  GLN  19           HB3      GLN  19   3.417  -9.676  -8.171
   78    HG2  GLN  19           HG2      GLN  19   2.719 -10.305  -5.272
   79    HG3  GLN  19           HG3      GLN  19   2.269 -11.306  -6.657
   80   HE21  GLN  19          HE21      GLN  19   4.091 -12.363  -7.919
   81   HE22  GLN  19          HE22      GLN  19   5.641 -12.543  -7.097
   82    H    MET  20           H        MET  20   5.927  -6.625  -7.009
   83    HA   MET  20           HA       MET  20   5.387  -5.980  -9.789
   84    HB2  MET  20           HB2      MET  20   5.458  -3.502  -9.415
   85    HB3  MET  20           HB3      MET  20   3.968  -4.279  -8.868
   86    HG2  MET  20           HG2      MET  20   4.824  -4.264  -6.543
   87    HG3  MET  20           HG3      MET  20   6.311  -3.483  -7.103
   88    HE1  MET  20           HE1      MET  20   4.423  -1.075  -4.838
   89    HE2  MET  20           HE2      MET  20   5.387  -2.583  -4.946
   90    HE3  MET  20           HE3      MET  20   6.069  -1.066  -5.541
   91    H    THR  21           H        THR  21   7.092  -4.975 -10.862
   92    HA   THR  21           HA       THR  21   9.738  -4.719  -9.534
   93    HB   THR  21           HB       THR  21   9.670  -7.018  -9.875
   94    HG1  THR  21           HG1      THR  21  11.170  -7.357 -11.631
   95   HG21  THR  21          HG21      THR  21   8.669  -6.597 -12.707
   96   HG22  THR  21          HG22      THR  21   7.802  -7.350 -11.341
   97   HG23  THR  21          HG23      THR  21   9.206  -8.153 -12.010
   98    H    CYS  22           H        CYS  22   7.658  -3.791 -12.174
   99    HA   CYS  22           HA       CYS  22   9.898  -2.151 -13.263
  100    HB2  CYS  22           HB2      CYS  22   9.384  -2.627 -15.334
  101    HB3  CYS  22           HB3      CYS  22   8.531  -4.003 -14.673
  102    H    GLN  23           H        GLN  23   9.417  -0.043 -14.010
  103    HA   GLN  23           HA       GLN  23   8.412   1.475 -11.877
  104    HB2  GLN  23           HB2      GLN  23   9.504   2.147 -14.585
  105    HB3  GLN  23           HB3      GLN  23   8.775   3.425 -13.617
  106    HG2  GLN  23           HG2      GLN  23  11.009   1.586 -12.645
  107    HG3  GLN  23           HG3      GLN  23  11.236   3.230 -13.238
  108   HE21  GLN  23          HE21      GLN  23  11.897   2.198 -10.504
  109   HE22  GLN  23          HE22      GLN  23  10.916   3.188  -9.425
  110    H    SER  24           H        SER  24   6.548   0.473 -14.678
  111    HA   SER  24           HA       SER  24   4.443   2.442 -14.417
  112    HB2  SER  24           HB2      SER  24   4.328  -0.427 -15.449
  113    HB3  SER  24           HB3      SER  24   3.073   0.808 -15.677
  114    HG   SER  24           HG       SER  24   4.611   0.539 -17.455
  115    H    CYS  25           H        CYS  25   5.027  -0.585 -12.635
  116    HA   CYS  25           HA       CYS  25   2.284  -0.714 -11.678
  117    HB2  CYS  25           HB2      CYS  25   4.777  -2.318 -11.073
  118    HB3  CYS  25           HB3      CYS  25   3.125  -2.735 -10.593
  119    H    VAL  26           H        VAL  26   5.434   0.244 -10.353
  120    HA   VAL  26           HA       VAL  26   4.894   1.040  -7.729
  121    HB   VAL  26           HB       VAL  26   6.370   2.937  -9.582
  122   HG11  VAL  26          HG11      VAL  26   8.098   2.752  -7.763
  123   HG12  VAL  26          HG12      VAL  26   6.534   3.344  -7.192
  124   HG13  VAL  26          HG13      VAL  26   7.034   1.635  -6.906
  125   HG21  VAL  26          HG21      VAL  26   8.328   1.520  -9.580
  126   HG22  VAL  26          HG22      VAL  26   7.332   0.184  -8.909
  127   HG23  VAL  26          HG23      VAL  26   6.985   0.859 -10.517
  128    H    ASP  27           H        ASP  27   4.413   3.012 -10.712
  129    HA   ASP  27           HA       ASP  27   3.031   5.147  -9.412
  130    HB2  ASP  27           HB2      ASP  27   4.084   4.809 -11.880
  131    HB3  ASP  27           HB3      ASP  27   2.430   4.408 -12.265
  132    H    ALA  28           H        ALA  28   1.905   2.061 -10.783
  133    HA   ALA  28           HA       ALA  28  -0.876   2.776 -10.918
  134    HB1  ALA  28           HB1      ALA  28   0.229   0.909 -12.183
  135    HB2  ALA  28           HB2      ALA  28   0.341  -0.010 -10.658
  136    HB3  ALA  28           HB3      ALA  28  -1.242   0.407 -11.305
  137    H    VAL  29           H        VAL  29   1.043   0.927  -8.413
  138    HA   VAL  29           HA       VAL  29  -1.254   0.641  -6.775
  139    HB   VAL  29           HB       VAL  29   1.662   0.274  -5.999
  140   HG11  VAL  29          HG11      VAL  29  -0.945  -0.912  -4.967
  141   HG12  VAL  29          HG12      VAL  29   0.685  -1.303  -4.358
  142   HG13  VAL  29          HG13      VAL  29   0.028   0.326  -4.118
  143   HG21  VAL  29          HG21      VAL  29   1.023  -1.202  -7.975
  144   HG22  VAL  29          HG22      VAL  29   1.351  -2.107  -6.504
  145   HG23  VAL  29          HG23      VAL  29  -0.322  -1.823  -7.021
  146    H    ARG  30           H        ARG  30   1.405   3.039  -6.824
  147    HA   ARG  30           HA       ARG  30   0.649   4.509  -4.442
  148    HB2  ARG  30           HB2      ARG  30   1.847   5.353  -7.146
  149    HB3  ARG  30           HB3      ARG  30   1.669   6.461  -5.789
  150    HG2  ARG  30           HG2      ARG  30   3.268   5.239  -4.440
  151    HG3  ARG  30           HG3      ARG  30   3.325   3.915  -5.590
  152    HD2  ARG  30           HD2      ARG  30   5.248   5.135  -6.199
  153    HD3  ARG  30           HD3      ARG  30   4.069   5.714  -7.345
  154    HE   ARG  30           HE       ARG  30   4.001   7.333  -4.932
  155   HH11  ARG  30          HH11      ARG  30   6.050   7.053  -7.829
  156   HH12  ARG  30          HH12      ARG  30   6.908   8.518  -7.316
  157   HH21  ARG  30          HH21      ARG  30   4.895   9.259  -4.719
  158   HH22  ARG  30          HH22      ARG  30   6.285   9.713  -5.704
  159    H    LYS  31           H        LYS  31  -0.661   4.496  -7.766
  160    HA   LYS  31           HA       LYS  31  -2.541   6.641  -7.114
  161    HB2  LYS  31           HB2      LYS  31  -1.948   5.169  -9.665
  162    HB3  LYS  31           HB3      LYS  31  -3.261   6.366  -9.488
  163    HG2  LYS  31           HG2      LYS  31  -1.728   8.019  -8.556
  164    HG3  LYS  31           HG3      LYS  31  -0.373   6.877  -8.614
  165    HD2  LYS  31           HD2      LYS  31  -0.391   6.897 -11.027
  166    HD3  LYS  31           HD3      LYS  31  -1.810   7.992 -11.048
  167    HE2  LYS  31           HE2      LYS  31  -0.619   9.648  -9.724
  168    HE3  LYS  31           HE3      LYS  31   0.741   8.565  -9.480
  169    HZ1  LYS  31           HZ1      LYS  31   1.217   8.614 -11.861
  170    HZ2  LYS  31           HZ2      LYS  31   1.180  10.184 -11.326
  171    HZ3  LYS  31           HZ3      LYS  31  -0.088   9.578 -12.151
  172    H    SER  32           H        SER  32  -2.785   3.173  -6.887
  173    HA   SER  32           HA       SER  32  -5.697   3.307  -6.466
  174    HB2  SER  32           HB2      SER  32  -4.483   1.142  -6.895
  175    HB3  SER  32           HB3      SER  32  -3.809   1.268  -5.254
  176    HG   SER  32           HG       SER  32  -5.699   0.162  -4.983
  177    H    LEU  33           H        LEU  33  -2.745   3.781  -4.550
  178    HA   LEU  33           HA       LEU  33  -4.084   4.171  -2.015
  179    HB2  LEU  33           HB2      LEU  33  -1.270   4.752  -3.026
  180    HB3  LEU  33           HB3      LEU  33  -1.777   4.948  -1.360
  181    HG   LEU  33           HG       LEU  33  -2.150   2.257  -2.732
  182   HD11  LEU  33          HD11      LEU  33  -0.006   1.505  -1.930
  183   HD12  LEU  33          HD12      LEU  33   0.400   3.101  -1.282
  184   HD13  LEU  33          HD13      LEU  33   0.261   2.851  -3.033
  185   HD21  LEU  33          HD21      LEU  33  -3.174   2.697  -0.527
  186   HD22  LEU  33          HD22      LEU  33  -1.564   3.136   0.101
  187   HD23  LEU  33          HD23      LEU  33  -1.894   1.469  -0.435
  188    H    GLN  34           H        GLN  34  -2.829   6.479  -4.452
  189    HA   GLN  34           HA       GLN  34  -3.241   8.829  -2.922
  190    HB2  GLN  34           HB2      GLN  34  -2.780   8.167  -5.784
  191    HB3  GLN  34           HB3      GLN  34  -3.388   9.756  -5.517
  192    HG2  GLN  34           HG2      GLN  34  -1.567  10.274  -3.961
  193    HG3  GLN  34           HG3      GLN  34  -0.982   8.622  -4.036
  194   HE21  GLN  34          HE21      GLN  34   1.112   9.792  -4.605
  195   HE22  GLN  34          HE22      GLN  34   1.351  10.280  -6.270
  196    H    GLY  35           H        GLY  35  -4.844  10.008  -2.464
  197    HA2  GLY  35           HA2      GLY  35  -7.016  10.860  -2.296
  198    HA3  GLY  35           HA3      GLY  35  -7.468   9.975  -3.749
  199    H    VAL  36           H        VAL  36  -6.201   7.841  -1.248
  200    HA   VAL  36           HA       VAL  36  -8.762   6.592  -0.884
  201    HB   VAL  36           HB       VAL  36  -6.006   6.210   0.280
  202   HG11  VAL  36          HG11      VAL  36  -6.784   4.244   1.515
  203   HG12  VAL  36          HG12      VAL  36  -7.505   5.702   2.180
  204   HG13  VAL  36          HG13      VAL  36  -8.473   4.638   1.133
  205   HG21  VAL  36          HG21      VAL  36  -6.200   4.048  -0.850
  206   HG22  VAL  36          HG22      VAL  36  -7.894   4.387  -1.275
  207   HG23  VAL  36          HG23      VAL  36  -6.587   5.346  -1.988
  208    H    ALA  37           H        ALA  37 -10.180   6.841   0.553
  209    HA   ALA  37           HA       ALA  37 -10.222   9.162   2.317
  210    HB1  ALA  37           HB1      ALA  37 -12.232   8.323   1.153
  211    HB2  ALA  37           HB2      ALA  37 -12.151   6.809   2.075
  212    HB3  ALA  37           HB3      ALA  37 -12.461   8.352   2.907
  213    H    GLY  38           H        GLY  38  -8.886   9.166   4.012
  214    HA2  GLY  38           HA2      GLY  38  -8.455   8.534   6.309
  215    HA3  GLY  38           HA3      GLY  38  -8.761   6.850   5.904
  216    H    VAL  39           H        VAL  39  -6.838   8.413   3.454
  217    HA   VAL  39           HA       VAL  39  -4.327   7.371   4.697
  218    HB   VAL  39           HB       VAL  39  -5.162   6.706   2.302
  219   HG11  VAL  39          HG11      VAL  39  -4.268   7.956   0.476
  220   HG12  VAL  39          HG12      VAL  39  -5.318   9.033   1.402
  221   HG13  VAL  39          HG13      VAL  39  -3.552   9.161   1.547
  222   HG21  VAL  39          HG21      VAL  39  -2.258   7.457   2.845
  223   HG22  VAL  39          HG22      VAL  39  -3.059   5.954   3.345
  224   HG23  VAL  39          HG23      VAL  39  -2.841   6.307   1.628
  225    H    GLN  40           H        GLN  40  -2.597   8.682   5.115
  226    HA   GLN  40           HA       GLN  40  -2.825  11.603   4.485
  227    HB2  GLN  40           HB2      GLN  40  -1.195   9.977   6.461
  228    HB3  GLN  40           HB3      GLN  40  -0.610  11.534   5.909
  229    HG2  GLN  40           HG2      GLN  40  -3.338  11.107   7.188
  230    HG3  GLN  40           HG3      GLN  40  -1.896  11.638   8.054
  231   HE21  GLN  40          HE21      GLN  40  -4.031  13.217   8.255
  232   HE22  GLN  40          HE22      GLN  40  -3.855  14.666   7.228
  233    H    ASP  41           H        ASP  41  -0.550   8.814   4.248
  234    HA   ASP  41           HA       ASP  41   0.698   9.935   1.831
  235    HB2  ASP  41           HB2      ASP  41   1.895  10.082   4.612
  236    HB3  ASP  41           HB3      ASP  41   2.945   9.886   3.255
  237    H    VAL  42           H        VAL  42   2.623   8.690   1.288
  238    HA   VAL  42           HA       VAL  42   2.660   5.841   2.088
  239    HB   VAL  42           HB       VAL  42   2.607   5.108  -0.267
  240   HG11  VAL  42          HG11      VAL  42   0.590   4.942   1.136
  241   HG12  VAL  42          HG12      VAL  42   0.057   6.540   0.562
  242   HG13  VAL  42          HG13      VAL  42   0.218   5.198  -0.574
  243   HG21  VAL  42          HG21      VAL  42   3.145   7.187  -1.456
  244   HG22  VAL  42          HG22      VAL  42   1.624   6.507  -2.028
  245   HG23  VAL  42          HG23      VAL  42   1.603   7.902  -0.935
  246    H    GLU  43           H        GLU  43   4.522   4.676   1.380
  247    HA   GLU  43           HA       GLU  43   6.497   6.084  -0.273
  248    HB2  GLU  43           HB2      GLU  43   7.199   6.708   2.010
  249    HB3  GLU  43           HB3      GLU  43   7.329   5.003   2.450
  250    HG2  GLU  43           HG2      GLU  43   9.097   4.681   0.757
  251    HG3  GLU  43           HG3      GLU  43   8.899   6.349   0.210
  252    H    VAL  44           H        VAL  44   6.599   4.672  -1.926
  253    HA   VAL  44           HA       VAL  44   6.513   1.751  -1.390
  254    HB   VAL  44           HB       VAL  44   4.970   2.637  -3.041
  255   HG11  VAL  44          HG11      VAL  44   5.657   3.266  -5.223
  256   HG12  VAL  44          HG12      VAL  44   6.303   4.441  -4.081
  257   HG13  VAL  44          HG13      VAL  44   7.383   3.223  -4.789
  258   HG21  VAL  44          HG21      VAL  44   5.380   0.998  -4.732
  259   HG22  VAL  44          HG22      VAL  44   7.082   0.828  -4.248
  260   HG23  VAL  44          HG23      VAL  44   5.783   0.322  -3.142
  261    H    HIS  45           H        HIS  45   8.146   0.449  -1.580
  262    HA   HIS  45           HA       HIS  45  10.743   1.407  -2.720
  263    HB2  HIS  45           HB2      HIS  45  10.231  -0.538  -0.427
  264    HB3  HIS  45           HB3      HIS  45  11.765  -0.346  -1.252
  265    HD1  HIS  45           HD1      HIS  45  13.420   1.115  -0.021
  266    HD2  HIS  45           HD2      HIS  45   9.384   2.010   0.839
  267    HE1  HIS  45           HE1      HIS  45  13.444   2.799   1.894
  268    H    LEU  46           H        LEU  46  10.192   0.777  -4.763
  269    HA   LEU  46           HA       LEU  46   9.168  -1.716  -5.631
  270    HB2  LEU  46           HB2      LEU  46   9.393   0.466  -6.826
  271    HB3  LEU  46           HB3      LEU  46  11.114   0.265  -6.923
  272    HG   LEU  46           HG       LEU  46   9.701  -0.190  -8.985
  273   HD11  LEU  46          HD11      LEU  46  11.610  -2.404  -8.248
  274   HD12  LEU  46          HD12      LEU  46  12.061  -0.764  -8.778
  275   HD13  LEU  46          HD13      LEU  46  11.151  -1.821  -9.859
  276   HD21  LEU  46          HD21      LEU  46   8.004  -1.662  -7.800
  277   HD22  LEU  46          HD22      LEU  46   9.239  -2.938  -7.773
  278   HD23  LEU  46          HD23      LEU  46   8.653  -2.292  -9.322
  279    H    GLU  47           H        GLU  47  12.452  -0.675  -4.919
  280    HA   GLU  47           HA       GLU  47  13.778  -3.109  -5.749
  281    HB2  GLU  47           HB2      GLU  47  14.601  -0.716  -4.098
  282    HB3  GLU  47           HB3      GLU  47  15.662  -2.119  -4.260
  283    HG2  GLU  47           HG2      GLU  47  15.661  -1.964  -6.679
  284    HG3  GLU  47           HG3      GLU  47  14.502  -0.635  -6.638
  285    H    ASP  48           H        ASP  48  11.838  -2.655  -2.966
  286    HA   ASP  48           HA       ASP  48  12.866  -5.143  -1.755
  287    HB2  ASP  48           HB2      ASP  48  11.648  -2.548  -0.746
  288    HB3  ASP  48           HB3      ASP  48  11.577  -3.991   0.181
  289    H    GLN  49           H        GLN  49  10.619  -4.183  -3.892
  290    HA   GLN  49           HA       GLN  49   8.425  -4.347  -4.350
  291    HB2  GLN  49           HB2      GLN  49   8.512  -7.159  -3.262
  292    HB3  GLN  49           HB3      GLN  49   7.552  -6.488  -4.573
  293    HG2  GLN  49           HG2      GLN  49   9.084  -7.598  -5.848
  294    HG3  GLN  49           HG3      GLN  49   9.856  -6.036  -5.752
  295   HE21  GLN  49          HE21      GLN  49  12.022  -6.732  -5.922
  296   HE22  GLN  49          HE22      GLN  49  12.782  -7.833  -4.771
  297    H    MET  50           H        MET  50   8.637  -2.929  -2.092
  298    HA   MET  50           HA       MET  50   6.593  -3.973  -0.170
  299    HB2  MET  50           HB2      MET  50   8.853  -4.219   0.710
  300    HB3  MET  50           HB3      MET  50   9.239  -2.557   0.289
  301    HG2  MET  50           HG2      MET  50   8.876  -2.673   2.645
  302    HG3  MET  50           HG3      MET  50   7.617  -1.720   1.919
  303    HE1  MET  50           HE1      MET  50   8.473  -5.348   3.131
  304    HE2  MET  50           HE2      MET  50   6.845  -5.992   3.446
  305    HE3  MET  50           HE3      MET  50   7.375  -5.708   1.776
  306    H    VAL  51           H        VAL  51   5.286  -2.443   0.906
  307    HA   VAL  51           HA       VAL  51   5.334   0.362  -0.098
  308    HB   VAL  51           HB       VAL  51   2.673  -1.048   0.263
  309   HG11  VAL  51          HG11      VAL  51   3.768   1.139  -1.568
  310   HG12  VAL  51          HG12      VAL  51   2.060   0.672  -1.417
  311   HG13  VAL  51          HG13      VAL  51   2.889   1.437  -0.044
  312   HG21  VAL  51          HG21      VAL  51   2.565  -1.499  -2.165
  313   HG22  VAL  51          HG22      VAL  51   4.320  -1.226  -2.279
  314   HG23  VAL  51          HG23      VAL  51   3.669  -2.550  -1.280
  315    H    LEU  52           H        LEU  52   5.421   1.752   1.517
  316    HA   LEU  52           HA       LEU  52   4.221   1.163   4.167
  317    HB2  LEU  52           HB2      LEU  52   5.839   3.540   3.162
  318    HB3  LEU  52           HB3      LEU  52   5.119   3.412   4.744
  319    HG   LEU  52           HG       LEU  52   6.574   1.178   4.912
  320   HD11  LEU  52          HD11      LEU  52   8.174   2.715   2.845
  321   HD12  LEU  52          HD12      LEU  52   7.430   1.121   2.606
  322   HD13  LEU  52          HD13      LEU  52   8.735   1.311   3.774
  323   HD21  LEU  52          HD21      LEU  52   8.428   2.456   5.869
  324   HD22  LEU  52          HD22      LEU  52   6.899   3.233   6.289
  325   HD23  LEU  52          HD23      LEU  52   7.909   3.911   4.996
  326    H    VAL  53           H        VAL  53   2.347   1.984   4.800
  327    HA   VAL  53           HA       VAL  53   0.997   4.118   3.197
  328    HB   VAL  53           HB       VAL  53  -0.313   1.583   4.252
  329   HG11  VAL  53          HG11      VAL  53  -1.822   3.556   4.191
  330   HG12  VAL  53          HG12      VAL  53  -1.360   3.874   2.508
  331   HG13  VAL  53          HG13      VAL  53  -2.266   2.404   2.928
  332   HG21  VAL  53          HG21      VAL  53   1.030   0.962   2.326
  333   HG22  VAL  53          HG22      VAL  53  -0.665   1.016   1.843
  334   HG23  VAL  53          HG23      VAL  53   0.426   2.351   1.399
  335    H    HIS  54           H        HIS  54   1.032   5.773   4.530
  336    HA   HIS  54           HA       HIS  54   0.635   5.614   7.431
  337    HB2  HIS  54           HB2      HIS  54   0.751   8.040   5.596
  338    HB3  HIS  54           HB3      HIS  54   0.952   8.042   7.309
  339    HD1  HIS  54           HD1      HIS  54   3.377   8.382   7.983
  340    HD2  HIS  54           HD2      HIS  54   2.948   6.393   4.310
  341    HE1  HIS  54           HE1      HIS  54   5.737   8.008   7.078
  342    H    THR  55           H        THR  55  -1.497   4.979   7.983
  343    HA   THR  55           HA       THR  55  -3.786   6.561   6.934
  344    HB   THR  55           HB       THR  55  -3.450   4.834   5.282
  345    HG1  THR  55           HG1      THR  55  -5.584   5.437   5.950
  346   HG21  THR  55          HG21      THR  55  -2.390   3.040   6.697
  347   HG22  THR  55          HG22      THR  55  -3.743   2.466   5.711
  348   HG23  THR  55          HG23      THR  55  -3.973   2.747   7.447
  349    H    THR  56           H        THR  56  -5.805   6.272   8.041
  350    HA   THR  56           HA       THR  56  -5.636   5.168  10.793
  351    HB   THR  56           HB       THR  56  -7.608   6.293  11.371
  352    HG1  THR  56           HG1      THR  56  -8.775   7.447   9.622
  353   HG21  THR  56          HG21      THR  56  -7.273   8.594  10.841
  354   HG22  THR  56          HG22      THR  56  -6.372   8.211   9.363
  355   HG23  THR  56          HG23      THR  56  -5.675   7.849  10.958
  356    H    LEU  57           H        LEU  57  -6.461   3.968   7.788
  357    HA   LEU  57           HA       LEU  57  -8.795   2.404   8.384
  358    HB2  LEU  57           HB2      LEU  57  -6.677   2.217   6.200
  359    HB3  LEU  57           HB3      LEU  57  -8.166   1.301   6.168
  360    HG   LEU  57           HG       LEU  57  -7.911   4.341   6.024
  361   HD11  LEU  57          HD11      LEU  57  -7.303   3.046   3.993
  362   HD12  LEU  57          HD12      LEU  57  -8.741   4.045   3.769
  363   HD13  LEU  57          HD13      LEU  57  -8.915   2.291   4.010
  364   HD21  LEU  57          HD21      LEU  57  -9.946   3.931   7.237
  365   HD22  LEU  57          HD22      LEU  57 -10.400   2.600   6.153
  366   HD23  LEU  57          HD23      LEU  57 -10.387   4.276   5.569
  367    HA   PRO  58           HA       PRO  58  -6.916  -1.255  10.068
  368    HB2  PRO  58           HB2      PRO  58  -9.039  -2.974   8.972
  369    HB3  PRO  58           HB3      PRO  58  -8.804  -2.475  10.666
  370    HG2  PRO  58           HG2      PRO  58 -10.919  -1.574   9.155
  371    HG3  PRO  58           HG3      PRO  58 -10.120  -0.525  10.375
  372    HD2  PRO  58           HD2      PRO  58  -9.470  -0.735   7.425
  373    HD3  PRO  58           HD3      PRO  58  -9.990   0.715   8.224
  374    H    SER  59           H        SER  59  -5.522  -3.044   9.313
  375    HA   SER  59           HA       SER  59  -4.692  -2.907   6.634
  376    HB2  SER  59           HB2      SER  59  -3.889  -5.432   7.279
  377    HB3  SER  59           HB3      SER  59  -3.015  -3.941   7.585
  378    HG   SER  59           HG       SER  59  -3.572  -5.609   9.387
  379    H    GLN  60           H        GLN  60  -7.282  -4.980   7.897
  380    HA   GLN  60           HA       GLN  60  -7.720  -6.639   5.646
  381    HB2  GLN  60           HB2      GLN  60  -9.704  -5.294   7.549
  382    HB3  GLN  60           HB3      GLN  60 -10.152  -6.477   6.329
  383    HG2  GLN  60           HG2      GLN  60 -10.052  -7.777   8.203
  384    HG3  GLN  60           HG3      GLN  60  -8.482  -8.093   7.501
  385   HE21  GLN  60          HE21      GLN  60 -10.116  -7.006  10.318
  386   HE22  GLN  60          HE22      GLN  60  -8.596  -7.056  11.211
  387    H    GLU  61           H        GLU  61  -8.452  -3.181   6.036
  388    HA   GLU  61           HA       GLU  61 -10.096  -3.043   3.606
  389    HB2  GLU  61           HB2      GLU  61 -10.459  -1.670   5.712
  390    HB3  GLU  61           HB3      GLU  61  -9.004  -0.744   5.281
  391    HG2  GLU  61           HG2      GLU  61  -9.995   0.000   3.217
  392    HG3  GLU  61           HG3      GLU  61 -11.353  -1.118   3.448
  393    H    VAL  62           H        VAL  62  -6.803  -2.027   4.665
  394    HA   VAL  62           HA       VAL  62  -6.108  -0.786   2.204
  395    HB   VAL  62           HB       VAL  62  -4.102  -2.015   4.126
  396   HG11  VAL  62          HG11      VAL  62  -2.757  -0.061   3.496
  397   HG12  VAL  62          HG12      VAL  62  -3.320  -0.875   2.030
  398   HG13  VAL  62          HG13      VAL  62  -4.127   0.606   2.571
  399   HG21  VAL  62          HG21      VAL  62  -5.596   0.577   4.630
  400   HG22  VAL  62          HG22      VAL  62  -5.531  -0.867   5.666
  401   HG23  VAL  62          HG23      VAL  62  -4.087   0.081   5.443
  402    H    GLN  63           H        GLN  63  -5.618  -4.111   3.452
  403    HA   GLN  63           HA       GLN  63  -4.128  -5.347   1.379
  404    HB2  GLN  63           HB2      GLN  63  -4.792  -6.434   3.453
  405    HB3  GLN  63           HB3      GLN  63  -6.480  -6.270   3.046
  406    HG2  GLN  63           HG2      GLN  63  -6.067  -7.777   1.030
  407    HG3  GLN  63           HG3      GLN  63  -4.415  -8.011   1.646
  408   HE21  GLN  63          HE21      GLN  63  -5.455 -10.324   1.474
  409   HE22  GLN  63          HE22      GLN  63  -6.178 -10.896   2.971
  410    H    ALA  64           H        ALA  64  -7.692  -4.634   1.408
  411    HA   ALA  64           HA       ALA  64  -7.967  -5.827  -1.247
  412    HB1  ALA  64           HB1      ALA  64 -10.364  -5.072  -0.899
  413    HB2  ALA  64           HB2      ALA  64  -9.728  -6.160   0.350
  414    HB3  ALA  64           HB3      ALA  64  -9.860  -4.430   0.686
  415    H    LEU  65           H        LEU  65  -7.373  -2.576   0.048
  416    HA   LEU  65           HA       LEU  65  -8.009  -1.167  -2.353
  417    HB2  LEU  65           HB2      LEU  65  -6.371  -0.522   0.076
  418    HB3  LEU  65           HB3      LEU  65  -6.421   0.555  -1.293
  419    HG   LEU  65           HG       LEU  65  -8.930  -0.379   0.167
  420   HD11  LEU  65          HD11      LEU  65  -7.538   0.886   1.707
  421   HD12  LEU  65          HD12      LEU  65  -8.920   1.865   1.206
  422   HD13  LEU  65          HD13      LEU  65  -7.319   2.167   0.487
  423   HD21  LEU  65          HD21      LEU  65  -9.953   1.615  -0.912
  424   HD22  LEU  65          HD22      LEU  65  -9.418   0.427  -2.095
  425   HD23  LEU  65          HD23      LEU  65  -8.445   1.890  -1.812
  426    H    LEU  66           H        LEU  66  -5.026  -2.515  -1.036
  427    HA   LEU  66           HA       LEU  66  -3.246  -1.865  -3.203
  428    HB2  LEU  66           HB2      LEU  66  -3.197  -3.966  -0.999
  429    HB3  LEU  66           HB3      LEU  66  -1.842  -3.672  -2.081
  430    HG   LEU  66           HG       LEU  66  -2.970  -1.377  -0.440
  431   HD11  LEU  66          HD11      LEU  66  -2.550  -3.139   1.198
  432   HD12  LEU  66          HD12      LEU  66  -1.286  -1.918   1.300
  433   HD13  LEU  66          HD13      LEU  66  -0.954  -3.461   0.478
  434   HD21  LEU  66          HD21      LEU  66  -0.636  -0.587  -0.597
  435   HD22  LEU  66          HD22      LEU  66  -1.344  -0.841  -2.201
  436   HD23  LEU  66          HD23      LEU  66  -0.200  -2.030  -1.531
  437    H    GLU  67           H        GLU  67  -4.914  -4.945  -2.361
  438    HA   GLU  67           HA       GLU  67  -4.369  -6.456  -4.705
  439    HB2  GLU  67           HB2      GLU  67  -6.667  -6.353  -2.723
  440    HB3  GLU  67           HB3      GLU  67  -6.726  -7.440  -4.057
  441    HG2  GLU  67           HG2      GLU  67  -4.425  -8.308  -3.285
  442    HG3  GLU  67           HG3      GLU  67  -4.710  -7.473  -1.784
  443    H    GLY  68           H        GLY  68  -6.438  -3.700  -4.315
  444    HA2  GLY  68           HA2      GLY  68  -8.285  -4.118  -6.505
  445    HA3  GLY  68           HA3      GLY  68  -7.953  -2.607  -5.648
  446    H    THR  69           H        THR  69  -4.973  -3.330  -6.367
  447    HA   THR  69           HA       THR  69  -4.929  -1.967  -8.964
  448    HB   THR  69           HB       THR  69  -2.280  -2.624  -7.805
  449    HG1  THR  69           HG1      THR  69  -3.339  -2.205  -5.875
  450   HG21  THR  69          HG21      THR  69  -3.603  -0.009  -8.518
  451   HG22  THR  69          HG22      THR  69  -2.910  -1.108  -9.740
  452   HG23  THR  69          HG23      THR  69  -1.867  -0.440  -8.497
  453    H    GLY  70           H        GLY  70  -5.466  -5.045  -8.371
  454    HA2  GLY  70           HA2      GLY  70  -5.568  -6.757  -9.899
  455    HA3  GLY  70           HA3      GLY  70  -4.776  -5.724 -11.098
  456    H    ARG  71           H        ARG  71  -3.258  -6.357  -8.033
  457    HA   ARG  71           HA       ARG  71  -1.670  -8.667  -8.835
  458    HB2  ARG  71           HB2      ARG  71   0.473  -7.444  -8.175
  459    HB3  ARG  71           HB3      ARG  71  -0.212  -7.087  -9.746
  460    HG2  ARG  71           HG2      ARG  71  -1.253  -4.998  -8.743
  461    HG3  ARG  71           HG3      ARG  71  -0.504  -5.359  -7.224
  462    HD2  ARG  71           HD2      ARG  71   0.656  -3.615  -8.643
  463    HD3  ARG  71           HD3      ARG  71   1.663  -4.971  -8.147
  464    HE   ARG  71           HE       ARG  71   2.054  -5.442 -10.361
  465   HH11  ARG  71          HH11      ARG  71  -1.185  -3.873 -10.509
  466   HH12  ARG  71          HH12      ARG  71  -1.099  -3.978 -12.235
  467   HH21  ARG  71          HH21      ARG  71   1.866  -5.537 -12.456
  468   HH22  ARG  71          HH22      ARG  71   0.444  -4.862 -13.279
  469    H    GLN  72           H        GLN  72  -0.477  -9.500  -7.054
  470    HA   GLN  72           HA       GLN  72  -2.157  -9.522  -4.753
  471    HB2  GLN  72           HB2      GLN  72  -0.850 -11.431  -5.754
  472    HB3  GLN  72           HB3      GLN  72   0.585 -10.798  -4.969
  473    HG2  GLN  72           HG2      GLN  72  -0.505 -12.658  -3.714
  474    HG3  GLN  72           HG3      GLN  72  -0.381 -11.167  -2.778
  475   HE21  GLN  72          HE21      GLN  72  -2.265 -10.726  -1.597
  476   HE22  GLN  72          HE22      GLN  72  -3.862 -10.942  -2.266
  477    H    ALA  73           H        ALA  73  -1.809  -9.080  -2.755
  478    HA   ALA  73           HA       ALA  73   0.480  -7.447  -1.753
  479    HB1  ALA  73           HB1      ALA  73  -1.040  -6.023  -0.505
  480    HB2  ALA  73           HB2      ALA  73  -1.446  -5.933  -2.235
  481    HB3  ALA  73           HB3      ALA  73  -2.454  -6.898  -1.137
  482    H    VAL  74           H        VAL  74   1.239  -8.207   0.129
  483    HA   VAL  74           HA       VAL  74  -0.388 -10.009   1.864
  484    HB   VAL  74           HB       VAL  74   2.402 -10.561   0.816
  485   HG11  VAL  74          HG11      VAL  74   0.889 -11.977   3.057
  486   HG12  VAL  74          HG12      VAL  74   2.372 -12.584   2.292
  487   HG13  VAL  74          HG13      VAL  74   2.425 -11.085   3.210
  488   HG21  VAL  74          HG21      VAL  74   0.627 -11.389  -0.659
  489   HG22  VAL  74          HG22      VAL  74   1.388 -12.756   0.154
  490   HG23  VAL  74          HG23      VAL  74  -0.196 -12.159   0.716
  491    H    LEU  75           H        LEU  75  -0.392  -9.149   3.810
  492    HA   LEU  75           HA       LEU  75   1.358  -6.982   4.493
  493    HB2  LEU  75           HB2      LEU  75  -0.924  -7.140   5.151
  494    HB3  LEU  75           HB3      LEU  75  -0.595  -8.467   6.209
  495    HG   LEU  75           HG       LEU  75   0.685  -7.084   7.744
  496   HD11  LEU  75          HD11      LEU  75   0.817  -5.064   5.454
  497   HD12  LEU  75          HD12      LEU  75   2.150  -5.641   6.467
  498   HD13  LEU  75          HD13      LEU  75   0.985  -4.547   7.126
  499   HD21  LEU  75          HD21      LEU  75  -1.786  -6.625   7.444
  500   HD22  LEU  75          HD22      LEU  75  -1.252  -5.285   6.366
  501   HD23  LEU  75          HD23      LEU  75  -0.818  -5.271   8.120
  502    H    LYS  76           H        LYS  76   3.047  -6.838   5.674
  503    HA   LYS  76           HA       LYS  76   4.358  -9.299   6.742
  504    HB2  LYS  76           HB2      LYS  76   5.657  -6.710   5.848
  505    HB3  LYS  76           HB3      LYS  76   6.484  -8.145   6.423
  506    HG2  LYS  76           HG2      LYS  76   4.823  -7.911   3.880
  507    HG3  LYS  76           HG3      LYS  76   6.578  -7.983   3.977
  508    HD2  LYS  76           HD2      LYS  76   4.809 -10.295   4.839
  509    HD3  LYS  76           HD3      LYS  76   5.436 -10.071   3.212
  510    HE2  LYS  76           HE2      LYS  76   7.767 -10.029   4.091
  511    HE3  LYS  76           HE3      LYS  76   7.147 -10.318   5.725
  512    HZ1  LYS  76           HZ1      LYS  76   6.212 -12.385   4.950
  513    HZ2  LYS  76           HZ2      LYS  76   7.820 -12.382   4.696
  514    HZ3  LYS  76           HZ3      LYS  76   6.788 -12.145   3.409
  515    H    GLY  77           H        GLY  77   3.529  -5.984   7.634
  516    HA2  GLY  77           HA2      GLY  77   2.599  -6.577  10.106
  517    HA3  GLY  77           HA3      GLY  77   4.305  -6.208  10.414
  518    H    MET  78           H        MET  78   3.025  -4.491  11.693
  519    HA   MET  78           HA       MET  78   2.258  -2.126  10.152
  520    HB2  MET  78           HB2      MET  78   2.268  -2.695  13.142
  521    HB3  MET  78           HB3      MET  78   1.788  -1.184  12.378
  522    HG2  MET  78           HG2      MET  78  -0.295  -2.189  12.529
  523    HG3  MET  78           HG3      MET  78   0.205  -2.676  10.934
  524    HE1  MET  78           HE1      MET  78  -1.153  -4.918  10.501
  525    HE2  MET  78           HE2      MET  78  -1.739  -5.848  11.888
  526    HE3  MET  78           HE3      MET  78  -2.078  -4.105  11.790
  527    H    GLY  79           H        GLY  79   3.167  -0.110  10.591
  528    HA2  GLY  79           HA2      GLY  79   6.135  -0.165  10.568
  529    HA3  GLY  79           HA3      GLY  79   5.126   1.148  10.024
  Start of MODEL   11
    1    H    GLY   9           H        GLY   9 -11.005   7.494  13.943
    2    HA2  GLY   9           HA2      GLY   9  -9.676   5.509  15.046
    3    HA3  GLY   9           HA3      GLY   9  -9.583   5.049  13.332
    4    H    THR  10           H        THR  10  -7.477   5.647  14.879
    5    HA   THR  10           HA       THR  10  -6.338   8.121  13.751
    6    HB   THR  10           HB       THR  10  -6.430   8.103  16.185
    7    HG1  THR  10           HG1      THR  10  -4.695   9.164  15.110
    8   HG21  THR  10          HG21      THR  10  -4.920   6.644  17.496
    9   HG22  THR  10          HG22      THR  10  -4.470   5.765  16.020
   10   HG23  THR  10          HG23      THR  10  -6.135   5.686  16.639
   11    H    LEU  11           H        LEU  11  -4.098   8.131  13.349
   12    HA   LEU  11           HA       LEU  11  -3.754   6.405  11.098
   13    HB2  LEU  11           HB2      LEU  11  -3.192   9.000  11.518
   14    HB3  LEU  11           HB3      LEU  11  -1.627   8.351  11.957
   15    HG   LEU  11           HG       LEU  11  -2.063   6.977   9.626
   16   HD11  LEU  11          HD11      LEU  11  -3.407   9.677   9.296
   17   HD12  LEU  11          HD12      LEU  11  -4.183   8.100   9.132
   18   HD13  LEU  11          HD13      LEU  11  -2.947   8.612   7.960
   19   HD21  LEU  11          HD21      LEU  11  -0.910   9.765   9.741
   20   HD22  LEU  11          HD22      LEU  11  -0.672   8.498   8.488
   21   HD23  LEU  11          HD23      LEU  11  -0.065   8.244  10.131
   22    H    CYS  12           H        CYS  12  -2.203   4.979  10.578
   23    HA   CYS  12           HA       CYS  12   0.204   4.629  12.169
   24    HB2  CYS  12           HB2      CYS  12  -1.806   3.044  13.022
   25    HB3  CYS  12           HB3      CYS  12  -1.252   2.068  11.637
   26    HG   CYS  12           HG       CYS  12   0.544   3.275  14.172
   27    H    THR  13           H        THR  13   1.755   3.265  11.147
   28    HA   THR  13           HA       THR  13   1.664   3.295   8.171
   29    HB   THR  13           HB       THR  13   3.835   2.649  10.174
   30    HG1  THR  13           HG1      THR  13   4.642   4.681   9.425
   31   HG21  THR  13          HG21      THR  13   5.391   2.912   8.246
   32   HG22  THR  13          HG22      THR  13   4.005   3.079   7.144
   33   HG23  THR  13          HG23      THR  13   4.309   1.538   7.985
   34    H    LEU  14           H        LEU  14   0.934   1.550   7.135
   35    HA   LEU  14           HA       LEU  14   1.422  -1.209   8.237
   36    HB2  LEU  14           HB2      LEU  14  -0.609  -0.022   6.366
   37    HB3  LEU  14           HB3      LEU  14  -0.154  -1.716   6.234
   38    HG   LEU  14           HG       LEU  14  -1.068  -2.341   8.264
   39   HD11  LEU  14          HD11      LEU  14  -0.179  -0.692   9.791
   40   HD12  LEU  14          HD12      LEU  14  -1.906  -0.923  10.021
   41   HD13  LEU  14          HD13      LEU  14  -1.317   0.534   9.175
   42   HD21  LEU  14          HD21      LEU  14  -2.801  -1.689   6.590
   43   HD22  LEU  14          HD22      LEU  14  -2.851  -0.058   7.293
   44   HD23  LEU  14          HD23      LEU  14  -3.372  -1.450   8.252
   45    H    GLU  15           H        GLU  15   2.916  -2.461   7.338
   46    HA   GLU  15           HA       GLU  15   4.402  -1.490   4.934
   47    HB2  GLU  15           HB2      GLU  15   5.239  -3.296   7.244
   48    HB3  GLU  15           HB3      GLU  15   6.240  -2.889   5.841
   49    HG2  GLU  15           HG2      GLU  15   6.025  -0.488   6.423
   50    HG3  GLU  15           HG3      GLU  15   5.182  -0.926   7.916
   51    H    PHE  16           H        PHE  16   3.274  -2.413   3.255
   52    HA   PHE  16           HA       PHE  16   2.648  -5.344   3.396
   53    HB2  PHE  16           HB2      PHE  16   1.636  -3.128   1.592
   54    HB3  PHE  16           HB3      PHE  16   1.334  -4.828   1.301
   55    HD1  PHE  16           HD2      PHE  16  -0.153  -6.204   2.597
   56    HD2  PHE  16           HD1      PHE  16   0.429  -2.017   3.466
   57    HE1  PHE  16           HE2      PHE  16  -2.365  -6.132   3.720
   58    HE2  PHE  16           HE1      PHE  16  -1.752  -1.962   4.630
   59    HZ   PHE  16           HZ       PHE  16  -3.180  -4.021   4.717
   60    H    ALA  17           H        ALA  17   3.166  -6.774   1.853
   61    HA   ALA  17           HA       ALA  17   5.333  -6.085  -0.117
   62    HB1  ALA  17           HB1      ALA  17   6.066  -7.718   1.536
   63    HB2  ALA  17           HB2      ALA  17   4.652  -8.751   1.186
   64    HB3  ALA  17           HB3      ALA  17   5.902  -8.493  -0.048
   65    H    VAL  18           H        VAL  18   4.942  -6.320  -2.263
   66    HA   VAL  18           HA       VAL  18   2.352  -7.493  -3.166
   67    HB   VAL  18           HB       VAL  18   1.916  -5.374  -4.441
   68   HG11  VAL  18          HG11      VAL  18   0.699  -5.787  -2.313
   69   HG12  VAL  18          HG12      VAL  18   2.010  -4.976  -1.407
   70   HG13  VAL  18          HG13      VAL  18   1.028  -4.076  -2.567
   71   HG21  VAL  18          HG21      VAL  18   3.993  -4.229  -2.574
   72   HG22  VAL  18          HG22      VAL  18   4.187  -4.448  -4.331
   73   HG23  VAL  18          HG23      VAL  18   2.923  -3.355  -3.690
   74    H    GLN  19           H        GLN  19   2.011  -7.733  -5.449
   75    HA   GLN  19           HA       GLN  19   4.480  -8.534  -6.858
   76    HB2  GLN  19           HB2      GLN  19   1.516  -8.709  -7.404
   77    HB3  GLN  19           HB3      GLN  19   2.686  -9.098  -8.658
   78    HG2  GLN  19           HG2      GLN  19   3.628 -10.901  -7.395
   79    HG3  GLN  19           HG3      GLN  19   2.729 -10.456  -5.944
   80   HE21  GLN  19          HE21      GLN  19   2.472 -13.066  -6.743
   81   HE22  GLN  19          HE22      GLN  19   0.838 -13.271  -7.345
   82    H    MET  20           H        MET  20   5.559  -6.394  -7.163
   83    HA   MET  20           HA       MET  20   4.869  -5.623  -9.932
   84    HB2  MET  20           HB2      MET  20   5.440  -3.205  -9.350
   85    HB3  MET  20           HB3      MET  20   3.844  -3.803  -8.904
   86    HG2  MET  20           HG2      MET  20   4.412  -3.971  -6.598
   87    HG3  MET  20           HG3      MET  20   6.139  -3.745  -6.925
   88    HE1  MET  20           HE1      MET  20   5.778  -1.943  -4.848
   89    HE2  MET  20           HE2      MET  20   4.609  -0.569  -4.962
   90    HE3  MET  20           HE3      MET  20   4.032  -2.249  -5.001
   91    H    THR  21           H        THR  21   6.602  -4.532 -11.109
   92    HA   THR  21           HA       THR  21   9.304  -5.486 -10.244
   93    HB   THR  21           HB       THR  21   9.621  -6.212 -12.610
   94    HG1  THR  21           HG1      THR  21   7.996  -6.279 -13.952
   95   HG21  THR  21          HG21      THR  21   7.265  -7.571 -11.226
   96   HG22  THR  21          HG22      THR  21   8.986  -7.882 -10.898
   97   HG23  THR  21          HG23      THR  21   8.305  -8.266 -12.483
   98    H    CYS  22           H        CYS  22   7.730  -3.044 -12.294
   99    HA   CYS  22           HA       CYS  22  10.299  -1.563 -12.373
  100    HB2  CYS  22           HB2      CYS  22  10.394  -1.517 -14.691
  101    HB3  CYS  22           HB3      CYS  22   9.916  -3.156 -14.333
  102    H    GLN  23           H        GLN  23   9.934   0.580 -13.574
  103    HA   GLN  23           HA       GLN  23   8.828   2.246 -11.673
  104    HB2  GLN  23           HB2      GLN  23   9.503   2.842 -14.574
  105    HB3  GLN  23           HB3      GLN  23   9.193   4.077 -13.358
  106    HG2  GLN  23           HG2      GLN  23  11.445   2.024 -13.212
  107    HG3  GLN  23           HG3      GLN  23  11.616   3.691 -13.735
  108   HE21  GLN  23          HE21      GLN  23  12.040   1.702 -11.042
  109   HE22  GLN  23          HE22      GLN  23  11.911   2.964  -9.820
  110    H    SER  24           H        SER  24   7.010   1.098 -14.517
  111    HA   SER  24           HA       SER  24   4.885   3.088 -14.199
  112    HB2  SER  24           HB2      SER  24   3.762   1.774 -15.981
  113    HB3  SER  24           HB3      SER  24   5.398   2.283 -16.412
  114    HG   SER  24           HG       SER  24   4.407  -0.270 -15.792
  115    H    CYS  25           H        CYS  25   5.511  -0.034 -12.756
  116    HA   CYS  25           HA       CYS  25   2.706  -0.552 -12.084
  117    HB2  CYS  25           HB2      CYS  25   5.304  -1.839 -11.171
  118    HB3  CYS  25           HB3      CYS  25   3.668  -2.450 -10.913
  119    H    VAL  26           H        VAL  26   5.661   0.561 -10.476
  120    HA   VAL  26           HA       VAL  26   4.904   1.071  -7.828
  121    HB   VAL  26           HB       VAL  26   6.524   3.167  -9.256
  122   HG11  VAL  26          HG11      VAL  26   6.528   3.109  -6.813
  123   HG12  VAL  26          HG12      VAL  26   7.124   1.414  -6.843
  124   HG13  VAL  26          HG13      VAL  26   8.133   2.727  -7.426
  125   HG21  VAL  26          HG21      VAL  26   7.433   0.307  -9.158
  126   HG22  VAL  26          HG22      VAL  26   7.179   1.380 -10.551
  127   HG23  VAL  26          HG23      VAL  26   8.493   1.732  -9.435
  128    H    ASP  27           H        ASP  27   4.635   3.248 -10.641
  129    HA   ASP  27           HA       ASP  27   3.212   5.405  -9.506
  130    HB2  ASP  27           HB2      ASP  27   4.366   5.084 -11.817
  131    HB3  ASP  27           HB3      ASP  27   2.911   4.259 -12.294
  132    H    ALA  28           H        ALA  28   2.040   2.353 -10.893
  133    HA   ALA  28           HA       ALA  28  -0.744   3.211 -10.979
  134    HB1  ALA  28           HB1      ALA  28   0.197   1.556 -12.547
  135    HB2  ALA  28           HB2      ALA  28   0.464   0.419 -11.208
  136    HB3  ALA  28           HB3      ALA  28  -1.188   0.894 -11.643
  137    H    VAL  29           H        VAL  29   1.079   0.930  -8.794
  138    HA   VAL  29           HA       VAL  29  -1.172   0.545  -7.140
  139    HB   VAL  29           HB       VAL  29   1.733   0.123  -6.343
  140   HG11  VAL  29          HG11      VAL  29  -0.834  -1.338  -5.621
  141   HG12  VAL  29          HG12      VAL  29   0.779  -1.623  -4.927
  142   HG13  VAL  29          HG13      VAL  29  -0.069  -0.105  -4.576
  143   HG21  VAL  29          HG21      VAL  29   1.382  -2.240  -7.123
  144   HG22  VAL  29          HG22      VAL  29  -0.179  -1.754  -7.828
  145   HG23  VAL  29          HG23      VAL  29   1.331  -1.124  -8.475
  146    H    ARG  30           H        ARG  30   1.423   3.014  -7.018
  147    HA   ARG  30           HA       ARG  30   0.641   4.284  -4.548
  148    HB2  ARG  30           HB2      ARG  30   1.836   5.208  -7.236
  149    HB3  ARG  30           HB3      ARG  30   1.470   6.388  -5.991
  150    HG2  ARG  30           HG2      ARG  30   3.098   5.568  -4.510
  151    HG3  ARG  30           HG3      ARG  30   3.303   4.054  -5.397
  152    HD2  ARG  30           HD2      ARG  30   4.649   4.999  -7.036
  153    HD3  ARG  30           HD3      ARG  30   3.816   6.541  -6.984
  154    HE   ARG  30           HE       ARG  30   6.255   5.887  -5.647
  155   HH11  ARG  30          HH11      ARG  30   3.746   8.242  -5.679
  156   HH12  ARG  30          HH12      ARG  30   4.382   9.108  -4.316
  157   HH21  ARG  30          HH21      ARG  30   6.985   6.942  -3.766
  158   HH22  ARG  30          HH22      ARG  30   6.059   8.308  -3.187
  159    H    LYS  31           H        LYS  31  -0.732   4.580  -7.835
  160    HA   LYS  31           HA       LYS  31  -2.464   6.768  -6.972
  161    HB2  LYS  31           HB2      LYS  31  -1.930   5.417  -9.615
  162    HB3  LYS  31           HB3      LYS  31  -3.205   6.650  -9.402
  163    HG2  LYS  31           HG2      LYS  31  -1.677   8.219  -8.427
  164    HG3  LYS  31           HG3      LYS  31  -0.361   7.027  -8.358
  165    HD2  LYS  31           HD2      LYS  31  -0.143   7.078 -10.784
  166    HD3  LYS  31           HD3      LYS  31  -1.465   8.288 -10.889
  167    HE2  LYS  31           HE2      LYS  31  -0.267   9.798  -9.383
  168    HE3  LYS  31           HE3      LYS  31   0.946   8.586  -9.030
  169    HZ1  LYS  31           HZ1      LYS  31   1.696   8.697 -11.337
  170    HZ2  LYS  31           HZ2      LYS  31   1.761  10.188 -10.640
  171    HZ3  LYS  31           HZ3      LYS  31   0.552   9.853 -11.697
  172    H    SER  32           H        SER  32  -2.932   3.343  -7.111
  173    HA   SER  32           HA       SER  32  -5.790   3.523  -6.510
  174    HB2  SER  32           HB2      SER  32  -4.643   1.452  -7.341
  175    HB3  SER  32           HB3      SER  32  -3.852   1.320  -5.753
  176    HG   SER  32           HG       SER  32  -6.125   1.450  -4.927
  177    H    LEU  33           H        LEU  33  -2.969   4.366  -4.659
  178    HA   LEU  33           HA       LEU  33  -4.426   4.230  -2.054
  179    HB2  LEU  33           HB2      LEU  33  -1.568   5.106  -2.630
  180    HB3  LEU  33           HB3      LEU  33  -2.269   4.819  -1.060
  181    HG   LEU  33           HG       LEU  33  -1.968   2.608  -3.127
  182   HD11  LEU  33          HD11      LEU  33  -0.058   3.350  -0.881
  183   HD12  LEU  33          HD12      LEU  33   0.263   3.529  -2.612
  184   HD13  LEU  33          HD13      LEU  33   0.050   1.915  -1.934
  185   HD21  LEU  33          HD21      LEU  33  -2.088   1.150  -1.234
  186   HD22  LEU  33          HD22      LEU  33  -3.541   2.163  -1.316
  187   HD23  LEU  33          HD23      LEU  33  -2.257   2.534  -0.124
  188    H    GLN  34           H        GLN  34  -3.019   6.533  -4.354
  189    HA   GLN  34           HA       GLN  34  -3.311   8.859  -2.747
  190    HB2  GLN  34           HB2      GLN  34  -2.793   8.242  -5.620
  191    HB3  GLN  34           HB3      GLN  34  -3.117   9.893  -5.241
  192    HG2  GLN  34           HG2      GLN  34  -1.280  10.036  -3.688
  193    HG3  GLN  34           HG3      GLN  34  -1.089   8.291  -3.643
  194   HE21  GLN  34          HE21      GLN  34   1.229   8.965  -4.057
  195   HE22  GLN  34          HE22      GLN  34   1.687   9.088  -5.765
  196    H    GLY  35           H        GLY  35  -4.854  10.112  -2.312
  197    HA2  GLY  35           HA2      GLY  35  -6.939  11.200  -2.329
  198    HA3  GLY  35           HA3      GLY  35  -7.361  10.375  -3.826
  199    H    VAL  36           H        VAL  36  -6.434   8.258  -1.145
  200    HA   VAL  36           HA       VAL  36  -9.226   7.346  -0.868
  201    HB   VAL  36           HB       VAL  36  -6.600   6.233   0.179
  202   HG11  VAL  36          HG11      VAL  36  -9.441   5.160   0.508
  203   HG12  VAL  36          HG12      VAL  36  -7.951   4.275   0.902
  204   HG13  VAL  36          HG13      VAL  36  -8.367   5.732   1.806
  205   HG21  VAL  36          HG21      VAL  36  -8.603   5.149  -1.865
  206   HG22  VAL  36          HG22      VAL  36  -7.037   5.878  -2.269
  207   HG23  VAL  36          HG23      VAL  36  -7.089   4.367  -1.357
  208    H    ALA  37           H        ALA  37 -10.432   7.852   0.802
  209    HA   ALA  37           HA       ALA  37  -9.680  10.008   2.556
  210    HB1  ALA  37           HB1      ALA  37 -12.136   8.210   2.601
  211    HB2  ALA  37           HB2      ALA  37 -11.955   9.755   3.452
  212    HB3  ALA  37           HB3      ALA  37 -11.965   9.717   1.676
  213    H    GLY  38           H        GLY  38  -8.456   9.866   4.287
  214    HA2  GLY  38           HA2      GLY  38  -8.064   9.132   6.565
  215    HA3  GLY  38           HA3      GLY  38  -8.582   7.502   6.129
  216    H    VAL  39           H        VAL  39  -6.627   8.764   3.607
  217    HA   VAL  39           HA       VAL  39  -4.148   7.542   4.708
  218    HB   VAL  39           HB       VAL  39  -5.069   7.167   2.285
  219   HG11  VAL  39          HG11      VAL  39  -3.379   9.628   1.715
  220   HG12  VAL  39          HG12      VAL  39  -4.271   8.604   0.573
  221   HG13  VAL  39          HG13      VAL  39  -5.147   9.631   1.720
  222   HG21  VAL  39          HG21      VAL  39  -2.957   6.247   3.163
  223   HG22  VAL  39          HG22      VAL  39  -2.795   6.772   1.482
  224   HG23  VAL  39          HG23      VAL  39  -2.122   7.769   2.785
  225    H    GLN  40           H        GLN  40  -2.319   8.715   5.137
  226    HA   GLN  40           HA       GLN  40  -2.346  11.697   4.833
  227    HB2  GLN  40           HB2      GLN  40  -1.110   9.733   6.748
  228    HB3  GLN  40           HB3      GLN  40  -0.194  11.174   6.408
  229    HG2  GLN  40           HG2      GLN  40  -3.118  11.287   7.205
  230    HG3  GLN  40           HG3      GLN  40  -1.827  11.259   8.398
  231   HE21  GLN  40          HE21      GLN  40  -3.622  13.425   8.203
  232   HE22  GLN  40          HE22      GLN  40  -2.646  14.842   7.751
  233    H    ASP  41           H        ASP  41  -0.291   8.779   4.390
  234    HA   ASP  41           HA       ASP  41   1.093  10.017   2.113
  235    HB2  ASP  41           HB2      ASP  41   2.380   9.533   4.817
  236    HB3  ASP  41           HB3      ASP  41   3.330   9.375   3.372
  237    H    VAL  42           H        VAL  42   2.686   8.667   1.258
  238    HA   VAL  42           HA       VAL  42   2.447   5.699   1.615
  239    HB   VAL  42           HB       VAL  42   2.538   7.210  -1.058
  240   HG11  VAL  42          HG11      VAL  42   2.189   4.981  -2.106
  241   HG12  VAL  42          HG12      VAL  42   3.739   5.102  -1.294
  242   HG13  VAL  42          HG13      VAL  42   2.404   4.215  -0.518
  243   HG21  VAL  42          HG21      VAL  42   0.329   6.260  -1.524
  244   HG22  VAL  42          HG22      VAL  42   0.290   5.545   0.121
  245   HG23  VAL  42          HG23      VAL  42   0.274   7.311  -0.115
  246    H    GLU  43           H        GLU  43   4.393   4.662   1.273
  247    HA   GLU  43           HA       GLU  43   6.481   6.041  -0.236
  248    HB2  GLU  43           HB2      GLU  43   7.125   6.745   1.974
  249    HB3  GLU  43           HB3      GLU  43   7.116   5.089   2.591
  250    HG2  GLU  43           HG2      GLU  43   9.047   4.512   1.460
  251    HG3  GLU  43           HG3      GLU  43   8.820   5.721   0.207
  252    H    VAL  44           H        VAL  44   6.687   4.650  -1.862
  253    HA   VAL  44           HA       VAL  44   6.593   1.724  -1.321
  254    HB   VAL  44           HB       VAL  44   5.090   2.131  -2.990
  255   HG11  VAL  44          HG11      VAL  44   5.630   4.401  -3.636
  256   HG12  VAL  44          HG12      VAL  44   7.062   3.811  -4.531
  257   HG13  VAL  44          HG13      VAL  44   5.411   3.304  -5.001
  258   HG21  VAL  44          HG21      VAL  44   7.614   1.359  -4.491
  259   HG22  VAL  44          HG22      VAL  44   6.629   0.250  -3.511
  260   HG23  VAL  44          HG23      VAL  44   5.939   1.035  -4.949
  261    H    HIS  45           H        HIS  45   8.191   0.517  -1.392
  262    HA   HIS  45           HA       HIS  45  10.826   1.453  -2.415
  263    HB2  HIS  45           HB2      HIS  45  10.175  -0.609  -0.225
  264    HB3  HIS  45           HB3      HIS  45  11.763  -0.348  -0.903
  265    HD1  HIS  45           HD1      HIS  45  13.176   0.760   0.825
  266    HD2  HIS  45           HD2      HIS  45   9.202   2.114   0.904
  267    HE1  HIS  45           HE1      HIS  45  13.095   2.624   2.560
  268    H    LEU  46           H        LEU  46  10.413   0.916  -4.498
  269    HA   LEU  46           HA       LEU  46   9.269  -1.479  -5.478
  270    HB2  LEU  46           HB2      LEU  46   9.704   0.712  -6.617
  271    HB3  LEU  46           HB3      LEU  46  11.398   0.355  -6.701
  272    HG   LEU  46           HG       LEU  46   9.932   0.043  -8.786
  273   HD11  LEU  46          HD11      LEU  46  11.254  -1.780  -9.648
  274   HD12  LEU  46          HD12      LEU  46  11.767  -2.235  -8.016
  275   HD13  LEU  46          HD13      LEU  46  12.248  -0.670  -8.694
  276   HD21  LEU  46          HD21      LEU  46   8.820  -2.040  -9.161
  277   HD22  LEU  46          HD22      LEU  46   8.145  -1.347  -7.674
  278   HD23  LEU  46          HD23      LEU  46   9.314  -2.683  -7.587
  279    H    GLU  47           H        GLU  47  12.606  -0.687  -4.606
  280    HA   GLU  47           HA       GLU  47  13.775  -3.137  -5.637
  281    HB2  GLU  47           HB2      GLU  47  14.886  -1.141  -3.630
  282    HB3  GLU  47           HB3      GLU  47  15.786  -2.459  -4.375
  283    HG2  GLU  47           HG2      GLU  47  15.234  -1.495  -6.642
  284    HG3  GLU  47           HG3      GLU  47  14.621  -0.058  -5.813
  285    H    ASP  48           H        ASP  48  11.870  -2.736  -2.792
  286    HA   ASP  48           HA       ASP  48  12.719  -5.438  -1.869
  287    HB2  ASP  48           HB2      ASP  48  12.106  -2.916  -0.406
  288    HB3  ASP  48           HB3      ASP  48  11.170  -4.234   0.130
  289    H    GLN  49           H        GLN  49  10.528  -4.085  -3.839
  290    HA   GLN  49           HA       GLN  49   8.338  -4.195  -4.338
  291    HB2  GLN  49           HB2      GLN  49   8.408  -7.048  -3.307
  292    HB3  GLN  49           HB3      GLN  49   7.302  -6.328  -4.470
  293    HG2  GLN  49           HG2      GLN  49   8.740  -7.521  -5.834
  294    HG3  GLN  49           HG3      GLN  49   9.310  -5.863  -5.972
  295   HE21  GLN  49          HE21      GLN  49  11.545  -5.910  -6.097
  296   HE22  GLN  49          HE22      GLN  49  12.593  -6.962  -5.181
  297    H    MET  50           H        MET  50   8.873  -3.054  -1.819
  298    HA   MET  50           HA       MET  50   6.608  -3.934  -0.107
  299    HB2  MET  50           HB2      MET  50   8.742  -4.240   0.937
  300    HB3  MET  50           HB3      MET  50   9.224  -2.577   0.621
  301    HG2  MET  50           HG2      MET  50   7.786  -1.681   2.226
  302    HG3  MET  50           HG3      MET  50   6.706  -3.072   2.206
  303    HE1  MET  50           HE1      MET  50   8.391  -5.591   2.627
  304    HE2  MET  50           HE2      MET  50   8.227  -5.710   4.395
  305    HE3  MET  50           HE3      MET  50   6.847  -5.148   3.416
  306    H    VAL  51           H        VAL  51   5.139  -2.453   0.707
  307    HA   VAL  51           HA       VAL  51   5.429   0.392  -0.125
  308    HB   VAL  51           HB       VAL  51   2.775  -1.111  -0.237
  309   HG11  VAL  51          HG11      VAL  51   2.268   0.934  -1.679
  310   HG12  VAL  51          HG12      VAL  51   2.642   1.348   0.010
  311   HG13  VAL  51          HG13      VAL  51   3.878   1.557  -1.251
  312   HG21  VAL  51          HG21      VAL  51   4.232  -2.062  -1.985
  313   HG22  VAL  51          HG22      VAL  51   2.988  -1.030  -2.694
  314   HG23  VAL  51          HG23      VAL  51   4.657  -0.433  -2.535
  315    H    LEU  52           H        LEU  52   5.459   1.682   1.519
  316    HA   LEU  52           HA       LEU  52   4.061   1.091   4.055
  317    HB2  LEU  52           HB2      LEU  52   5.689   3.512   3.169
  318    HB3  LEU  52           HB3      LEU  52   4.896   3.327   4.709
  319    HG   LEU  52           HG       LEU  52   6.406   1.182   4.971
  320   HD11  LEU  52          HD11      LEU  52   7.382   1.089   2.719
  321   HD12  LEU  52          HD12      LEU  52   8.624   1.372   3.936
  322   HD13  LEU  52          HD13      LEU  52   8.045   2.722   2.939
  323   HD21  LEU  52          HD21      LEU  52   8.192   2.570   5.953
  324   HD22  LEU  52          HD22      LEU  52   6.598   3.264   6.311
  325   HD23  LEU  52          HD23      LEU  52   7.601   3.982   5.044
  326    H    VAL  53           H        VAL  53   2.208   1.910   4.565
  327    HA   VAL  53           HA       VAL  53   0.908   4.069   2.987
  328    HB   VAL  53           HB       VAL  53  -0.479   1.531   3.946
  329   HG11  VAL  53          HG11      VAL  53  -2.397   2.427   2.659
  330   HG12  VAL  53          HG12      VAL  53  -1.906   3.587   3.898
  331   HG13  VAL  53          HG13      VAL  53  -1.445   3.858   2.206
  332   HG21  VAL  53          HG21      VAL  53  -0.812   1.040   1.514
  333   HG22  VAL  53          HG22      VAL  53   0.348   2.338   1.137
  334   HG23  VAL  53          HG23      VAL  53   0.866   0.901   2.041
  335    H    HIS  54           H        HIS  54   0.837   5.665   4.382
  336    HA   HIS  54           HA       HIS  54   0.635   5.258   7.308
  337    HB2  HIS  54           HB2      HIS  54   1.049   7.754   5.616
  338    HB3  HIS  54           HB3      HIS  54   1.167   7.664   7.359
  339    HD1  HIS  54           HD1      HIS  54   3.570   7.331   8.243
  340    HD2  HIS  54           HD2      HIS  54   3.028   6.106   4.259
  341    HE1  HIS  54           HE1      HIS  54   5.857   6.602   7.395
  342    H    THR  55           H        THR  55  -1.509   4.777   7.841
  343    HA   THR  55           HA       THR  55  -3.642   6.649   6.993
  344    HB   THR  55           HB       THR  55  -3.453   5.081   5.132
  345    HG1  THR  55           HG1      THR  55  -5.529   5.785   5.858
  346   HG21  THR  55          HG21      THR  55  -4.117   2.833   7.091
  347   HG22  THR  55          HG22      THR  55  -2.541   3.070   6.309
  348   HG23  THR  55          HG23      THR  55  -3.969   2.704   5.329
  349    H    THR  56           H        THR  56  -5.733   6.335   8.028
  350    HA   THR  56           HA       THR  56  -5.583   5.036  10.686
  351    HB   THR  56           HB       THR  56  -7.547   6.101  11.318
  352    HG1  THR  56           HG1      THR  56  -8.872   7.141   9.617
  353   HG21  THR  56          HG21      THR  56  -7.390   8.400  10.791
  354   HG22  THR  56          HG22      THR  56  -6.529   8.089   9.271
  355   HG23  THR  56          HG23      THR  56  -5.747   7.755  10.836
  356    H    LEU  57           H        LEU  57  -6.379   3.992   7.553
  357    HA   LEU  57           HA       LEU  57  -8.677   2.411   8.113
  358    HB2  LEU  57           HB2      LEU  57  -6.597   2.264   5.900
  359    HB3  LEU  57           HB3      LEU  57  -8.105   1.364   5.862
  360    HG   LEU  57           HG       LEU  57  -7.879   4.420   5.919
  361   HD11  LEU  57          HD11      LEU  57  -8.647   4.266   3.590
  362   HD12  LEU  57          HD12      LEU  57  -8.592   2.492   3.666
  363   HD13  LEU  57          HD13      LEU  57  -7.092   3.445   3.808
  364   HD21  LEU  57          HD21      LEU  57 -10.289   4.365   5.314
  365   HD22  LEU  57          HD22      LEU  57 -10.012   3.699   6.920
  366   HD23  LEU  57          HD23      LEU  57 -10.310   2.603   5.550
  367    HA   PRO  58           HA       PRO  58  -6.795  -1.220   9.886
  368    HB2  PRO  58           HB2      PRO  58  -9.043  -2.908   8.981
  369    HB3  PRO  58           HB3      PRO  58  -8.652  -2.396  10.642
  370    HG2  PRO  58           HG2      PRO  58 -10.847  -1.439   9.309
  371    HG3  PRO  58           HG3      PRO  58  -9.897  -0.390  10.415
  372    HD2  PRO  58           HD2      PRO  58  -9.572  -0.679   7.401
  373    HD3  PRO  58           HD3      PRO  58  -9.883   0.799   8.308
  374    H    SER  59           H        SER  59  -5.456  -2.956   9.167
  375    HA   SER  59           HA       SER  59  -4.819  -3.049   6.421
  376    HB2  SER  59           HB2      SER  59  -3.773  -5.400   7.245
  377    HB3  SER  59           HB3      SER  59  -2.999  -3.827   7.447
  378    HG   SER  59           HG       SER  59  -3.678  -5.546   9.311
  379    H    GLN  60           H        GLN  60  -7.338  -4.892   8.039
  380    HA   GLN  60           HA       GLN  60  -7.760  -6.871   6.002
  381    HB2  GLN  60           HB2      GLN  60  -9.783  -5.449   7.792
  382    HB3  GLN  60           HB3      GLN  60 -10.125  -6.847   6.772
  383    HG2  GLN  60           HG2      GLN  60  -8.318  -8.100   8.077
  384    HG3  GLN  60           HG3      GLN  60  -8.372  -6.771   9.254
  385   HE21  GLN  60          HE21      GLN  60 -11.031  -6.371   9.709
  386   HE22  GLN  60          HE22      GLN  60 -11.791  -7.950   9.930
  387    H    GLU  61           H        GLU  61  -8.580  -3.355   5.985
  388    HA   GLU  61           HA       GLU  61 -10.068  -3.665   3.429
  389    HB2  GLU  61           HB2      GLU  61  -9.247  -1.149   4.841
  390    HB3  GLU  61           HB3      GLU  61 -10.296  -1.319   3.419
  391    HG2  GLU  61           HG2      GLU  61 -10.723  -2.308   6.209
  392    HG3  GLU  61           HG3      GLU  61 -11.649  -1.097   5.282
  393    H    VAL  62           H        VAL  62  -6.938  -2.298   4.645
  394    HA   VAL  62           HA       VAL  62  -6.233  -1.243   2.138
  395    HB   VAL  62           HB       VAL  62  -4.194  -2.119   4.200
  396   HG11  VAL  62          HG11      VAL  62  -3.411  -1.119   2.044
  397   HG12  VAL  62          HG12      VAL  62  -4.403   0.312   2.375
  398   HG13  VAL  62          HG13      VAL  62  -3.026  -0.088   3.430
  399   HG21  VAL  62          HG21      VAL  62  -6.029   0.290   4.385
  400   HG22  VAL  62          HG22      VAL  62  -5.766  -0.996   5.581
  401   HG23  VAL  62          HG23      VAL  62  -4.483   0.140   5.266
  402    H    GLN  63           H        GLN  63  -5.586  -4.483   3.518
  403    HA   GLN  63           HA       GLN  63  -4.022  -5.606   1.411
  404    HB2  GLN  63           HB2      GLN  63  -4.460  -6.740   3.555
  405    HB3  GLN  63           HB3      GLN  63  -6.172  -6.815   3.196
  406    HG2  GLN  63           HG2      GLN  63  -5.688  -8.270   1.220
  407    HG3  GLN  63           HG3      GLN  63  -3.961  -8.212   1.628
  408   HE21  GLN  63          HE21      GLN  63  -4.926 -10.652   1.393
  409   HE22  GLN  63          HE22      GLN  63  -5.329 -11.410   2.937
  410    H    ALA  64           H        ALA  64  -7.584  -5.126   1.626
  411    HA   ALA  64           HA       ALA  64  -8.034  -6.554  -0.857
  412    HB1  ALA  64           HB1      ALA  64 -10.394  -5.683  -0.462
  413    HB2  ALA  64           HB2      ALA  64  -9.740  -6.529   0.947
  414    HB3  ALA  64           HB3      ALA  64  -9.817  -4.758   0.929
  415    H    LEU  65           H        LEU  65  -7.626  -3.196   0.160
  416    HA   LEU  65           HA       LEU  65  -8.451  -1.915  -2.238
  417    HB2  LEU  65           HB2      LEU  65  -6.825  -1.082   0.137
  418    HB3  LEU  65           HB3      LEU  65  -7.104   0.008  -1.199
  419    HG   LEU  65           HG       LEU  65  -9.437  -1.396   0.188
  420   HD11  LEU  65          HD11      LEU  65  -8.222   1.285   0.935
  421   HD12  LEU  65          HD12      LEU  65  -8.239  -0.191   1.939
  422   HD13  LEU  65          HD13      LEU  65  -9.755   0.614   1.553
  423   HD21  LEU  65          HD21      LEU  65 -10.723   0.521  -0.654
  424   HD22  LEU  65          HD22      LEU  65  -9.931  -0.327  -1.984
  425   HD23  LEU  65          HD23      LEU  65  -9.257   1.203  -1.387
  426    H    LEU  66           H        LEU  66  -5.283  -2.846  -0.997
  427    HA   LEU  66           HA       LEU  66  -3.647  -2.222  -3.271
  428    HB2  LEU  66           HB2      LEU  66  -3.441  -4.266  -1.019
  429    HB3  LEU  66           HB3      LEU  66  -2.155  -4.007  -2.187
  430    HG   LEU  66           HG       LEU  66  -3.199  -1.649  -0.581
  431   HD11  LEU  66          HD11      LEU  66  -1.109  -3.662   0.345
  432   HD12  LEU  66          HD12      LEU  66  -2.669  -3.327   1.133
  433   HD13  LEU  66          HD13      LEU  66  -1.438  -2.080   1.095
  434   HD21  LEU  66          HD21      LEU  66  -0.887  -0.855  -0.904
  435   HD22  LEU  66          HD22      LEU  66  -1.661  -1.210  -2.459
  436   HD23  LEU  66          HD23      LEU  66  -0.482  -2.348  -1.771
  437    H    GLU  67           H        GLU  67  -5.294  -5.308  -2.350
  438    HA   GLU  67           HA       GLU  67  -4.650  -6.838  -4.645
  439    HB2  GLU  67           HB2      GLU  67  -6.861  -6.769  -2.611
  440    HB3  GLU  67           HB3      GLU  67  -7.068  -7.862  -3.909
  441    HG2  GLU  67           HG2      GLU  67  -4.529  -7.818  -2.222
  442    HG3  GLU  67           HG3      GLU  67  -5.971  -8.698  -1.730
  443    H    GLY  68           H        GLY  68  -6.982  -4.212  -4.417
  444    HA2  GLY  68           HA2      GLY  68  -8.501  -4.731  -6.781
  445    HA3  GLY  68           HA3      GLY  68  -8.243  -3.161  -6.014
  446    H    THR  69           H        THR  69  -5.184  -3.737  -6.491
  447    HA   THR  69           HA       THR  69  -4.970  -2.357  -9.065
  448    HB   THR  69           HB       THR  69  -2.571  -2.230  -8.606
  449    HG1  THR  69           HG1      THR  69  -3.077  -3.687  -6.238
  450   HG21  THR  69          HG21      THR  69  -4.169  -0.671  -7.577
  451   HG22  THR  69          HG22      THR  69  -2.692  -0.885  -6.642
  452   HG23  THR  69          HG23      THR  69  -4.190  -1.656  -6.098
  453    H    GLY  70           H        GLY  70  -5.517  -5.542  -8.436
  454    HA2  GLY  70           HA2      GLY  70  -5.572  -7.322  -9.915
  455    HA3  GLY  70           HA3      GLY  70  -4.611  -6.407 -11.092
  456    H    ARG  71           H        ARG  71  -3.436  -6.640  -7.858
  457    HA   ARG  71           HA       ARG  71  -1.243  -8.538  -8.564
  458    HB2  ARG  71           HB2      ARG  71  -1.162  -5.826  -7.154
  459    HB3  ARG  71           HB3      ARG  71   0.227  -6.885  -7.354
  460    HG2  ARG  71           HG2      ARG  71   0.239  -6.574  -9.752
  461    HG3  ARG  71           HG3      ARG  71  -1.323  -5.748  -9.724
  462    HD2  ARG  71           HD2      ARG  71  -0.364  -3.955  -8.303
  463    HD3  ARG  71           HD3      ARG  71   1.222  -4.680  -8.464
  464    HE   ARG  71           HE       ARG  71  -0.300  -3.188 -10.502
  465   HH11  ARG  71          HH11      ARG  71   2.293  -5.557 -10.231
  466   HH12  ARG  71          HH12      ARG  71   2.885  -5.157 -11.832
  467   HH21  ARG  71          HH21      ARG  71   0.404  -2.812 -12.377
  468   HH22  ARG  71          HH22      ARG  71   1.738  -3.684 -13.111
  469    H    GLN  72           H        GLN  72  -0.538  -9.782  -6.816
  470    HA   GLN  72           HA       GLN  72  -2.216 -10.071  -4.536
  471    HB2  GLN  72           HB2      GLN  72  -0.778 -11.851  -5.377
  472    HB3  GLN  72           HB3      GLN  72   0.672 -10.962  -4.869
  473    HG2  GLN  72           HG2      GLN  72   0.030 -11.109  -2.541
  474    HG3  GLN  72           HG3      GLN  72  -1.553 -11.774  -2.960
  475   HE21  GLN  72          HE21      GLN  72  -0.534 -13.152  -1.164
  476   HE22  GLN  72          HE22      GLN  72   0.235 -14.628  -1.743
  477    H    ALA  73           H        ALA  73  -2.065  -9.427  -2.567
  478    HA   ALA  73           HA       ALA  73   0.180  -7.687  -1.565
  479    HB1  ALA  73           HB1      ALA  73  -1.418  -6.374  -0.297
  480    HB2  ALA  73           HB2      ALA  73  -1.911  -6.356  -2.012
  481    HB3  ALA  73           HB3      ALA  73  -2.761  -7.399  -0.847
  482    H    VAL  74           H        VAL  74   1.058  -8.330   0.259
  483    HA   VAL  74           HA       VAL  74  -0.388 -10.050   2.231
  484    HB   VAL  74           HB       VAL  74   2.422 -10.469   1.124
  485   HG11  VAL  74          HG11      VAL  74   2.517 -10.829   3.557
  486   HG12  VAL  74          HG12      VAL  74   1.046 -11.835   3.492
  487   HG13  VAL  74          HG13      VAL  74   2.553 -12.380   2.726
  488   HG21  VAL  74          HG21      VAL  74   1.547 -12.769   0.660
  489   HG22  VAL  74          HG22      VAL  74  -0.066 -12.212   1.190
  490   HG23  VAL  74          HG23      VAL  74   0.718 -11.504  -0.249
  491    H    LEU  75           H        LEU  75  -0.180  -9.171   4.278
  492    HA   LEU  75           HA       LEU  75   1.482  -6.778   4.557
  493    HB2  LEU  75           HB2      LEU  75  -0.794  -6.950   5.338
  494    HB3  LEU  75           HB3      LEU  75  -0.364  -8.164   6.484
  495    HG   LEU  75           HG       LEU  75   0.804  -6.602   7.905
  496   HD11  LEU  75          HD11      LEU  75   2.268  -5.270   6.643
  497   HD12  LEU  75          HD12      LEU  75   1.019  -4.106   6.980
  498   HD13  LEU  75          HD13      LEU  75   1.035  -4.897   5.404
  499   HD21  LEU  75          HD21      LEU  75  -0.727  -4.733   8.046
  500   HD22  LEU  75          HD22      LEU  75  -1.641  -6.195   7.539
  501   HD23  LEU  75          HD23      LEU  75  -1.116  -4.993   6.297
  502    H    LYS  76           H        LYS  76   3.212  -6.483   5.739
  503    HA   LYS  76           HA       LYS  76   4.627  -8.912   6.772
  504    HB2  LYS  76           HB2      LYS  76   5.841  -6.323   5.764
  505    HB3  LYS  76           HB3      LYS  76   6.698  -7.711   6.375
  506    HG2  LYS  76           HG2      LYS  76   4.961  -7.701   3.879
  507    HG3  LYS  76           HG3      LYS  76   6.713  -7.602   3.900
  508    HD2  LYS  76           HD2      LYS  76   5.148  -9.995   4.946
  509    HD3  LYS  76           HD3      LYS  76   5.816  -9.856   3.326
  510    HE2  LYS  76           HE2      LYS  76   8.082  -9.708   4.153
  511    HE3  LYS  76           HE3      LYS  76   7.539  -9.649   5.836
  512    HZ1  LYS  76           HZ1      LYS  76   6.934 -11.892   5.767
  513    HZ2  LYS  76           HZ2      LYS  76   8.283 -11.911   4.819
  514    HZ3  LYS  76           HZ3      LYS  76   6.774 -11.939   4.155
  515    H    GLY  77           H        GLY  77   3.704  -5.623   7.671
  516    HA2  GLY  77           HA2      GLY  77   2.660  -6.336  10.019
  517    HA3  GLY  77           HA3      GLY  77   4.351  -6.039  10.491
  518    H    MET  78           H        MET  78   3.491  -4.349  11.826
  519    HA   MET  78           HA       MET  78   2.609  -1.879  10.460
  520    HB2  MET  78           HB2      MET  78   2.496  -2.768  13.368
  521    HB3  MET  78           HB3      MET  78   2.148  -1.141  12.791
  522    HG2  MET  78           HG2      MET  78   0.009  -2.028  12.757
  523    HG3  MET  78           HG3      MET  78   0.524  -2.311  11.110
  524    HE1  MET  78           HE1      MET  78  -1.729  -5.355  11.561
  525    HE2  MET  78           HE2      MET  78  -1.976  -3.681  12.107
  526    HE3  MET  78           HE3      MET  78  -1.223  -3.999  10.525
  527    H    GLY  79           H        GLY  79   3.698   0.015  10.739
  528    HA2  GLY  79           HA2      GLY  79   6.491  -0.320  10.393
  529    HA3  GLY  79           HA3      GLY  79   5.640   1.213  10.369
  Start of MODEL   12
    1    H    GLY   9           H        GLY   9  -8.562   2.264  14.857
    2    HA2  GLY   9           HA2      GLY   9  -9.105   3.472  12.970
    3    HA3  GLY   9           HA3      GLY   9 -10.494   4.233  13.777
    4    H    THR  10           H        THR  10  -7.052   3.968  14.599
    5    HA   THR  10           HA       THR  10  -6.626   6.860  14.192
    6    HB   THR  10           HB       THR  10  -6.895   6.519  16.575
    7    HG1  THR  10           HG1      THR  10  -4.192   7.090  16.297
    8   HG21  THR  10          HG21      THR  10  -5.148   5.462  17.917
    9   HG22  THR  10          HG22      THR  10  -4.336   4.882  16.442
   10   HG23  THR  10          HG23      THR  10  -5.949   4.271  16.885
   11    H    LEU  11           H        LEU  11  -4.356   7.405  13.876
   12    HA   LEU  11           HA       LEU  11  -3.755   5.916  11.543
   13    HB2  LEU  11           HB2      LEU  11  -3.437   8.524  12.124
   14    HB3  LEU  11           HB3      LEU  11  -1.802   8.005  12.478
   15    HG   LEU  11           HG       LEU  11  -2.213   6.707  10.086
   16   HD11  LEU  11          HD11      LEU  11  -3.742   9.315   9.934
   17   HD12  LEU  11          HD12      LEU  11  -4.433   7.696   9.778
   18   HD13  LEU  11          HD13      LEU  11  -3.300   8.307   8.547
   19   HD21  LEU  11          HD21      LEU  11  -0.265   8.070  10.506
   20   HD22  LEU  11          HD22      LEU  11  -1.233   9.550  10.290
   21   HD23  LEU  11          HD23      LEU  11  -1.017   8.407   8.931
   22    H    CYS  12           H        CYS  12  -2.141   4.667  10.924
   23    HA   CYS  12           HA       CYS  12   0.365   4.492  12.404
   24    HB2  CYS  12           HB2      CYS  12  -1.340   2.635  13.243
   25    HB3  CYS  12           HB3      CYS  12  -0.913   1.865  11.692
   26    HG   CYS  12           HG       CYS  12   1.094   2.837  14.176
   27    H    THR  13           H        THR  13   1.986   3.367  11.172
   28    HA   THR  13           HA       THR  13   1.728   3.530   8.186
   29    HB   THR  13           HB       THR  13   4.047   2.823  10.010
   30    HG1  THR  13           HG1      THR  13   3.356   5.048  10.060
   31   HG21  THR  13          HG21      THR  13   4.305   1.864   7.707
   32   HG22  THR  13          HG22      THR  13   5.450   3.176   7.994
   33   HG23  THR  13          HG23      THR  13   3.997   3.476   7.019
   34    H    LEU  14           H        LEU  14   0.755   1.773   7.317
   35    HA   LEU  14           HA       LEU  14   1.355  -0.977   8.341
   36    HB2  LEU  14           HB2      LEU  14  -0.654   0.222   6.439
   37    HB3  LEU  14           HB3      LEU  14  -0.202  -1.475   6.322
   38    HG   LEU  14           HG       LEU  14  -1.108  -2.071   8.372
   39   HD11  LEU  14          HD11      LEU  14  -0.305  -0.325   9.856
   40   HD12  LEU  14          HD12      LEU  14  -2.036  -0.580  10.054
   41   HD13  LEU  14          HD13      LEU  14  -1.451   0.841   9.148
   42   HD21  LEU  14          HD21      LEU  14  -3.441  -1.280   8.279
   43   HD22  LEU  14          HD22      LEU  14  -2.824  -1.550   6.642
   44   HD23  LEU  14          HD23      LEU  14  -2.955   0.100   7.282
   45    H    GLU  15           H        GLU  15   2.933  -2.168   7.470
   46    HA   GLU  15           HA       GLU  15   4.380  -1.144   5.060
   47    HB2  GLU  15           HB2      GLU  15   5.358  -2.771   7.449
   48    HB3  GLU  15           HB3      GLU  15   6.317  -2.355   6.027
   49    HG2  GLU  15           HG2      GLU  15   5.819   0.076   6.510
   50    HG3  GLU  15           HG3      GLU  15   5.140  -0.427   8.058
   51    H    PHE  16           H        PHE  16   3.253  -2.176   3.434
   52    HA   PHE  16           HA       PHE  16   2.721  -5.112   3.660
   53    HB2  PHE  16           HB2      PHE  16   1.717  -2.959   1.753
   54    HB3  PHE  16           HB3      PHE  16   1.437  -4.675   1.525
   55    HD1  PHE  16           HD2      PHE  16   0.495  -1.835   3.663
   56    HD2  PHE  16           HD1      PHE  16  -0.151  -5.967   2.596
   57    HE1  PHE  16           HE2      PHE  16  -1.756  -1.755   4.699
   58    HE2  PHE  16           HE1      PHE  16  -2.382  -5.894   3.671
   59    HZ   PHE  16           HZ       PHE  16  -3.212  -3.792   4.681
   60    H    ALA  17           H        ALA  17   3.300  -6.575   2.211
   61    HA   ALA  17           HA       ALA  17   5.365  -5.928   0.146
   62    HB1  ALA  17           HB1      ALA  17   4.393  -8.594   1.233
   63    HB2  ALA  17           HB2      ALA  17   5.669  -8.363   0.013
   64    HB3  ALA  17           HB3      ALA  17   5.905  -7.756   1.664
   65    H    VAL  18           H        VAL  18   4.958  -6.248  -2.043
   66    HA   VAL  18           HA       VAL  18   2.290  -7.242  -2.932
   67    HB   VAL  18           HB       VAL  18   2.265  -5.273  -4.602
   68   HG11  VAL  18          HG11      VAL  18   1.882  -4.540  -1.662
   69   HG12  VAL  18          HG12      VAL  18   1.181  -3.715  -3.062
   70   HG13  VAL  18          HG13      VAL  18   0.685  -5.371  -2.685
   71   HG21  VAL  18          HG21      VAL  18   3.377  -3.274  -4.002
   72   HG22  VAL  18          HG22      VAL  18   4.156  -4.061  -2.608
   73   HG23  VAL  18          HG23      VAL  18   4.571  -4.575  -4.246
   74    H    GLN  19           H        GLN  19   2.184  -7.981  -5.122
   75    HA   GLN  19           HA       GLN  19   4.818  -8.891  -6.120
   76    HB2  GLN  19           HB2      GLN  19   2.784 -10.344  -5.814
   77    HB3  GLN  19           HB3      GLN  19   2.041  -9.517  -7.181
   78    HG2  GLN  19           HG2      GLN  19   3.939 -10.284  -8.626
   79    HG3  GLN  19           HG3      GLN  19   4.664 -11.083  -7.229
   80   HE21  GLN  19          HE21      GLN  19   4.544 -13.049  -8.687
   81   HE22  GLN  19          HE22      GLN  19   3.016 -13.890  -8.800
   82    H    MET  20           H        MET  20   5.761  -6.861  -6.891
   83    HA   MET  20           HA       MET  20   5.090  -6.480  -9.744
   84    HB2  MET  20           HB2      MET  20   5.335  -4.008  -9.514
   85    HB3  MET  20           HB3      MET  20   3.843  -4.683  -8.847
   86    HG2  MET  20           HG2      MET  20   4.812  -4.516  -6.570
   87    HG3  MET  20           HG3      MET  20   6.286  -3.811  -7.260
   88    HE1  MET  20           HE1      MET  20   4.214  -1.214  -5.146
   89    HE2  MET  20           HE2      MET  20   5.265  -2.681  -5.082
   90    HE3  MET  20           HE3      MET  20   5.892  -1.148  -5.729
   91    H    THR  21           H        THR  21   6.763  -5.772 -11.058
   92    HA   THR  21           HA       THR  21   9.512  -5.865  -9.855
   93    HB   THR  21           HB       THR  21  10.180  -7.310 -11.693
   94    HG1  THR  21           HG1      THR  21   7.421  -7.273 -12.400
   95   HG21  THR  21          HG21      THR  21   9.327  -8.403  -9.635
   96   HG22  THR  21          HG22      THR  21   9.049  -9.357 -11.102
   97   HG23  THR  21          HG23      THR  21   7.703  -8.469 -10.359
   98    H    CYS  22           H        CYS  22   7.592  -3.971 -11.976
   99    HA   CYS  22           HA       CYS  22   9.949  -2.445 -12.795
  100    HB2  CYS  22           HB2      CYS  22   9.280  -2.478 -15.166
  101    HB3  CYS  22           HB3      CYS  22   9.847  -3.996 -14.546
  102    H    GLN  23           H        GLN  23   9.403  -0.384 -13.828
  103    HA   GLN  23           HA       GLN  23   8.023   1.048 -11.905
  104    HB2  GLN  23           HB2      GLN  23   9.458   1.760 -14.401
  105    HB3  GLN  23           HB3      GLN  23   8.469   3.011 -13.663
  106    HG2  GLN  23           HG2      GLN  23  10.541   1.399 -12.117
  107    HG3  GLN  23           HG3      GLN  23  10.874   2.949 -12.875
  108   HE21  GLN  23          HE21      GLN  23  11.089   2.349  -9.998
  109   HE22  GLN  23          HE22      GLN  23   9.929   3.441  -9.225
  110    H    SER  24           H        SER  24   6.360  -0.141 -14.725
  111    HA   SER  24           HA       SER  24   4.248   1.905 -14.565
  112    HB2  SER  24           HB2      SER  24   3.043   0.575 -16.179
  113    HB3  SER  24           HB3      SER  24   4.717   0.801 -16.707
  114    HG   SER  24           HG       SER  24   5.195  -1.279 -16.064
  115    H    CYS  25           H        CYS  25   4.851  -1.101 -12.856
  116    HA   CYS  25           HA       CYS  25   2.117  -1.473 -11.962
  117    HB2  CYS  25           HB2      CYS  25   4.833  -2.353 -10.886
  118    HB3  CYS  25           HB3      CYS  25   3.274  -2.930 -10.328
  119    H    VAL  26           H        VAL  26   5.038  -0.090 -10.611
  120    HA   VAL  26           HA       VAL  26   4.377   0.750  -8.059
  121    HB   VAL  26           HB       VAL  26   6.198   2.427  -9.817
  122   HG11  VAL  26          HG11      VAL  26   7.783   1.939  -7.808
  123   HG12  VAL  26          HG12      VAL  26   6.363   2.936  -7.477
  124   HG13  VAL  26          HG13      VAL  26   6.397   1.195  -7.027
  125   HG21  VAL  26          HG21      VAL  26   7.941   0.756  -9.623
  126   HG22  VAL  26          HG22      VAL  26   6.726  -0.411  -8.981
  127   HG23  VAL  26          HG23      VAL  26   6.620   0.225 -10.638
  128    H    ASP  27           H        ASP  27   4.268   2.850 -10.995
  129    HA   ASP  27           HA       ASP  27   2.973   5.082  -9.814
  130    HB2  ASP  27           HB2      ASP  27   4.035   4.613 -12.201
  131    HB3  ASP  27           HB3      ASP  27   2.398   4.141 -12.614
  132    H    ALA  28           H        ALA  28   1.672   2.021 -10.953
  133    HA   ALA  28           HA       ALA  28  -1.121   2.967 -10.954
  134    HB1  ALA  28           HB1      ALA  28  -0.327   1.323 -12.585
  135    HB2  ALA  28           HB2      ALA  28  -0.080   0.144 -11.279
  136    HB3  ALA  28           HB3      ALA  28  -1.708   0.751 -11.625
  137    H    VAL  29           H        VAL  29   0.859   0.834  -8.715
  138    HA   VAL  29           HA       VAL  29  -1.352   0.528  -6.967
  139    HB   VAL  29           HB       VAL  29   1.549   0.342  -6.100
  140   HG11  VAL  29          HG11      VAL  29   0.592  -1.363  -4.597
  141   HG12  VAL  29          HG12      VAL  29  -0.373   0.117  -4.439
  142   HG13  VAL  29          HG13      VAL  29  -0.972  -1.237  -5.440
  143   HG21  VAL  29          HG21      VAL  29   1.591  -1.098  -7.985
  144   HG22  VAL  29          HG22      VAL  29   1.212  -2.173  -6.667
  145   HG23  VAL  29          HG23      VAL  29  -0.092  -1.605  -7.745
  146    H    ARG  30           H        ARG  30   1.255   2.957  -7.122
  147    HA   ARG  30           HA       ARG  30   0.683   4.387  -4.704
  148    HB2  ARG  30           HB2      ARG  30   1.634   5.235  -7.521
  149    HB3  ARG  30           HB3      ARG  30   1.572   6.371  -6.168
  150    HG2  ARG  30           HG2      ARG  30   3.254   5.147  -4.935
  151    HG3  ARG  30           HG3      ARG  30   3.198   3.808  -6.045
  152    HD2  ARG  30           HD2      ARG  30   5.043   4.826  -6.975
  153    HD3  ARG  30           HD3      ARG  30   3.823   5.749  -7.843
  154    HE   ARG  30           HE       ARG  30   4.142   7.142  -5.464
  155   HH11  ARG  30          HH11      ARG  30   6.405   6.442  -8.102
  156   HH12  ARG  30          HH12      ARG  30   7.321   7.883  -7.728
  157   HH21  ARG  30          HH21      ARG  30   5.412   8.790  -5.020
  158   HH22  ARG  30          HH22      ARG  30   6.876   9.080  -5.933
  159    H    LYS  31           H        LYS  31  -0.859   4.609  -7.936
  160    HA   LYS  31           HA       LYS  31  -2.426   6.883  -7.055
  161    HB2  LYS  31           HB2      LYS  31  -2.253   5.427  -9.672
  162    HB3  LYS  31           HB3      LYS  31  -3.398   6.766  -9.365
  163    HG2  LYS  31           HG2      LYS  31  -1.601   8.212  -8.567
  164    HG3  LYS  31           HG3      LYS  31  -0.415   6.912  -8.735
  165    HD2  LYS  31           HD2      LYS  31  -0.609   7.003 -11.166
  166    HD3  LYS  31           HD3      LYS  31  -1.823   8.316 -11.044
  167    HE2  LYS  31           HE2      LYS  31  -0.270   9.760  -9.924
  168    HE3  LYS  31           HE3      LYS  31   0.797   8.425  -9.534
  169    HZ1  LYS  31           HZ1      LYS  31   1.349   8.225 -11.924
  170    HZ2  LYS  31           HZ2      LYS  31   1.755   9.701 -11.311
  171    HZ3  LYS  31           HZ3      LYS  31   0.445   9.570 -12.266
  172    H    SER  32           H        SER  32  -3.082   3.456  -6.966
  173    HA   SER  32           HA       SER  32  -5.907   3.636  -6.407
  174    HB2  SER  32           HB2      SER  32  -4.680   1.508  -6.826
  175    HB3  SER  32           HB3      SER  32  -3.848   1.707  -5.265
  176    HG   SER  32           HG       SER  32  -5.574   0.432  -4.818
  177    H    LEU  33           H        LEU  33  -3.087   4.541  -4.490
  178    HA   LEU  33           HA       LEU  33  -4.629   4.786  -1.964
  179    HB2  LEU  33           HB2      LEU  33  -1.732   5.517  -2.385
  180    HB3  LEU  33           HB3      LEU  33  -2.547   4.997  -0.913
  181    HG   LEU  33           HG       LEU  33  -2.074   3.087  -3.212
  182   HD11  LEU  33          HD11      LEU  33   0.106   4.109  -2.572
  183   HD12  LEU  33          HD12      LEU  33  -0.004   2.383  -2.204
  184   HD13  LEU  33          HD13      LEU  33  -0.166   3.583  -0.905
  185   HD21  LEU  33          HD21      LEU  33  -3.614   2.384  -1.420
  186   HD22  LEU  33          HD22      LEU  33  -2.301   2.626  -0.225
  187   HD23  LEU  33          HD23      LEU  33  -2.134   1.414  -1.519
  188    H    GLN  34           H        GLN  34  -3.228   6.861  -4.464
  189    HA   GLN  34           HA       GLN  34  -2.689   9.050  -2.776
  190    HB2  GLN  34           HB2      GLN  34  -1.358   8.409  -4.661
  191    HB3  GLN  34           HB3      GLN  34  -2.729   8.613  -5.761
  192    HG2  GLN  34           HG2      GLN  34  -2.688  10.932  -5.553
  193    HG3  GLN  34           HG3      GLN  34  -1.553  10.927  -4.184
  194   HE21  GLN  34          HE21      GLN  34   0.682  10.163  -4.726
  195   HE22  GLN  34          HE22      GLN  34   1.178  10.213  -6.418
  196    H    GLY  35           H        GLY  35  -3.936  10.535  -2.004
  197    HA2  GLY  35           HA2      GLY  35  -5.597  12.128  -1.829
  198    HA3  GLY  35           HA3      GLY  35  -6.199  11.713  -3.436
  199    H    VAL  36           H        VAL  36  -5.863   9.116  -1.019
  200    HA   VAL  36           HA       VAL  36  -8.803   8.768  -0.975
  201    HB   VAL  36           HB       VAL  36  -6.533   6.983  -0.035
  202   HG11  VAL  36          HG11      VAL  36  -9.540   6.462  -0.008
  203   HG12  VAL  36          HG12      VAL  36  -8.280   5.258   0.308
  204   HG13  VAL  36          HG13      VAL  36  -8.491   6.609   1.422
  205   HG21  VAL  36          HG21      VAL  36  -6.829   7.094  -2.512
  206   HG22  VAL  36          HG22      VAL  36  -7.303   5.518  -1.870
  207   HG23  VAL  36          HG23      VAL  36  -8.548   6.702  -2.318
  208    H    ALA  37           H        ALA  37  -9.972   9.431   0.635
  209    HA   ALA  37           HA       ALA  37  -8.902  10.912   2.858
  210    HB1  ALA  37           HB1      ALA  37 -11.249  11.108   3.543
  211    HB2  ALA  37           HB2      ALA  37 -11.056  11.406   1.804
  212    HB3  ALA  37           HB3      ALA  37 -11.718   9.857   2.372
  213    H    GLY  38           H        GLY  38  -8.175  10.245   4.720
  214    HA2  GLY  38           HA2      GLY  38  -8.231   8.932   6.760
  215    HA3  GLY  38           HA3      GLY  38  -8.875   7.559   5.856
  216    H    VAL  39           H        VAL  39  -6.683   8.535   3.688
  217    HA   VAL  39           HA       VAL  39  -4.257   7.364   4.961
  218    HB   VAL  39           HB       VAL  39  -4.792   8.137   2.073
  219   HG11  VAL  39          HG11      VAL  39  -2.465   6.648   3.372
  220   HG12  VAL  39          HG12      VAL  39  -2.735   6.822   1.624
  221   HG13  VAL  39          HG13      VAL  39  -2.404   8.252   2.601
  222   HG21  VAL  39          HG21      VAL  39  -6.142   6.156   2.671
  223   HG22  VAL  39          HG22      VAL  39  -4.811   5.705   1.609
  224   HG23  VAL  39          HG23      VAL  39  -4.704   5.364   3.350
  225    H    GLN  40           H        GLN  40  -2.604   8.698   5.502
  226    HA   GLN  40           HA       GLN  40  -2.901  11.646   5.072
  227    HB2  GLN  40           HB2      GLN  40  -1.672   9.923   7.264
  228    HB3  GLN  40           HB3      GLN  40  -1.273  11.610   7.065
  229    HG2  GLN  40           HG2      GLN  40  -3.888  11.977   7.004
  230    HG3  GLN  40           HG3      GLN  40  -3.949  10.371   7.723
  231   HE21  GLN  40          HE21      GLN  40  -5.090  12.441   9.077
  232   HE22  GLN  40          HE22      GLN  40  -4.081  13.003  10.387
  233    H    ASP  41           H        ASP  41  -0.673   8.957   4.775
  234    HA   ASP  41           HA       ASP  41   0.673  10.282   2.575
  235    HB2  ASP  41           HB2      ASP  41   2.118   9.796   5.178
  236    HB3  ASP  41           HB3      ASP  41   2.990   9.518   3.713
  237    H    VAL  42           H        VAL  42   2.294   8.842   1.617
  238    HA   VAL  42           HA       VAL  42   2.142   5.968   2.089
  239    HB   VAL  42           HB       VAL  42   1.661   5.394  -0.193
  240   HG11  VAL  42          HG11      VAL  42  -0.709   5.769  -0.213
  241   HG12  VAL  42          HG12      VAL  42  -0.191   5.504   1.456
  242   HG13  VAL  42          HG13      VAL  42  -0.568   7.147   0.873
  243   HG21  VAL  42          HG21      VAL  42   0.967   8.299  -0.730
  244   HG22  VAL  42          HG22      VAL  42   2.313   7.386  -1.453
  245   HG23  VAL  42          HG23      VAL  42   0.656   6.930  -1.824
  246    H    GLU  43           H        GLU  43   3.829   4.778   1.005
  247    HA   GLU  43           HA       GLU  43   5.738   6.220  -0.686
  248    HB2  GLU  43           HB2      GLU  43   6.353   6.761   1.695
  249    HB3  GLU  43           HB3      GLU  43   6.666   5.060   1.985
  250    HG2  GLU  43           HG2      GLU  43   8.441   5.054   0.348
  251    HG3  GLU  43           HG3      GLU  43   8.014   6.679  -0.201
  252    H    VAL  44           H        VAL  44   6.286   4.759  -2.325
  253    HA   VAL  44           HA       VAL  44   6.107   1.838  -1.702
  254    HB   VAL  44           HB       VAL  44   4.635   2.632  -3.459
  255   HG11  VAL  44          HG11      VAL  44   5.418   3.200  -5.595
  256   HG12  VAL  44          HG12      VAL  44   5.994   4.432  -4.459
  257   HG13  VAL  44          HG13      VAL  44   7.122   3.198  -5.089
  258   HG21  VAL  44          HG21      VAL  44   5.518   0.339  -3.388
  259   HG22  VAL  44          HG22      VAL  44   5.130   0.924  -5.015
  260   HG23  VAL  44          HG23      VAL  44   6.829   0.828  -4.487
  261    H    HIS  45           H        HIS  45   7.791   0.529  -1.755
  262    HA   HIS  45           HA       HIS  45  10.398   1.496  -2.826
  263    HB2  HIS  45           HB2      HIS  45   9.828  -0.023  -0.252
  264    HB3  HIS  45           HB3      HIS  45  11.395  -0.026  -1.032
  265    HD1  HIS  45           HD1      HIS  45  12.980   1.922  -0.533
  266    HD2  HIS  45           HD2      HIS  45   8.986   2.584   0.618
  267    HE1  HIS  45           HE1      HIS  45  12.964   4.126   0.763
  268    H    LEU  46           H        LEU  46  10.067   0.568  -4.792
  269    HA   LEU  46           HA       LEU  46   9.293  -2.096  -5.411
  270    HB2  LEU  46           HB2      LEU  46   9.396  -0.295  -6.884
  271    HB3  LEU  46           HB3      LEU  46  11.081  -0.090  -6.791
  272    HG   LEU  46           HG       LEU  46  11.578  -1.819  -8.263
  273   HD11  LEU  46          HD11      LEU  46   9.079  -3.306  -7.314
  274   HD12  LEU  46          HD12      LEU  46  10.780  -3.865  -7.353
  275   HD13  LEU  46          HD13      LEU  46   9.903  -3.715  -8.830
  276   HD21  LEU  46          HD21      LEU  46   9.840  -1.836 -10.005
  277   HD22  LEU  46          HD22      LEU  46   9.903  -0.234  -9.242
  278   HD23  LEU  46          HD23      LEU  46   8.642  -1.423  -8.743
  279    H    GLU  47           H        GLU  47  12.398  -0.726  -4.504
  280    HA   GLU  47           HA       GLU  47  13.873  -3.208  -4.915
  281    HB2  GLU  47           HB2      GLU  47  14.753  -0.684  -3.506
  282    HB3  GLU  47           HB3      GLU  47  15.789  -2.070  -3.876
  283    HG2  GLU  47           HG2      GLU  47  15.275  -1.880  -6.269
  284    HG3  GLU  47           HG3      GLU  47  14.221  -0.505  -5.988
  285    H    ASP  48           H        ASP  48  11.694  -2.575  -2.472
  286    HA   ASP  48           HA       ASP  48  12.681  -5.091  -1.186
  287    HB2  ASP  48           HB2      ASP  48  12.384  -2.937   0.323
  288    HB3  ASP  48           HB3      ASP  48  10.684  -3.283   0.170
  289    H    GLN  49           H        GLN  49  10.540  -3.918  -3.433
  290    HA   GLN  49           HA       GLN  49   8.410  -4.137  -4.127
  291    HB2  GLN  49           HB2      GLN  49   8.491  -6.936  -2.936
  292    HB3  GLN  49           HB3      GLN  49   7.436  -6.321  -4.197
  293    HG2  GLN  49           HG2      GLN  49   9.265  -6.009  -5.740
  294    HG3  GLN  49           HG3      GLN  49  10.273  -6.770  -4.509
  295   HE21  GLN  49          HE21      GLN  49   8.566  -7.491  -7.292
  296   HE22  GLN  49          HE22      GLN  49   8.403  -9.228  -7.010
  297    H    MET  50           H        MET  50   8.847  -2.947  -1.525
  298    HA   MET  50           HA       MET  50   6.453  -3.731   0.016
  299    HB2  MET  50           HB2      MET  50   8.484  -3.663   1.264
  300    HB3  MET  50           HB3      MET  50   8.845  -2.017   0.730
  301    HG2  MET  50           HG2      MET  50   7.170  -1.060   2.055
  302    HG3  MET  50           HG3      MET  50   6.309  -2.579   2.269
  303    HE1  MET  50           HE1      MET  50   6.603  -4.284   3.952
  304    HE2  MET  50           HE2      MET  50   8.177  -4.751   3.271
  305    HE3  MET  50           HE3      MET  50   8.019  -4.472   5.018
  306    H    VAL  51           H        VAL  51   4.887  -2.216   0.724
  307    HA   VAL  51           HA       VAL  51   4.955   0.535  -0.373
  308    HB   VAL  51           HB       VAL  51   2.276  -0.834  -0.100
  309   HG11  VAL  51          HG11      VAL  51   3.421   1.195  -2.049
  310   HG12  VAL  51          HG12      VAL  51   1.708   0.790  -1.832
  311   HG13  VAL  51          HG13      VAL  51   2.586   1.629  -0.529
  312   HG21  VAL  51          HG21      VAL  51   3.269  -2.439  -1.489
  313   HG22  VAL  51          HG22      VAL  51   2.280  -1.402  -2.520
  314   HG23  VAL  51          HG23      VAL  51   4.050  -1.215  -2.522
  315    H    LEU  52           H        LEU  52   4.879   1.931   1.240
  316    HA   LEU  52           HA       LEU  52   3.785   1.230   3.910
  317    HB2  LEU  52           HB2      LEU  52   5.298   3.682   2.908
  318    HB3  LEU  52           HB3      LEU  52   4.671   3.486   4.517
  319    HG   LEU  52           HG       LEU  52   6.228   1.353   4.616
  320   HD11  LEU  52          HD11      LEU  52   7.605   2.930   2.418
  321   HD12  LEU  52          HD12      LEU  52   6.949   1.289   2.257
  322   HD13  LEU  52          HD13      LEU  52   8.317   1.587   3.333
  323   HD21  LEU  52          HD21      LEU  52   8.092   2.757   5.402
  324   HD22  LEU  52          HD22      LEU  52   6.548   3.431   5.935
  325   HD23  LEU  52          HD23      LEU  52   7.401   4.167   4.563
  326    H    VAL  53           H        VAL  53   1.923   1.967   4.606
  327    HA   VAL  53           HA       VAL  53   0.595   4.233   3.185
  328    HB   VAL  53           HB       VAL  53  -0.780   1.637   3.946
  329   HG11  VAL  53          HG11      VAL  53  -1.826   4.134   2.514
  330   HG12  VAL  53          HG12      VAL  53  -2.755   2.661   2.847
  331   HG13  VAL  53          HG13      VAL  53  -2.216   3.683   4.182
  332   HG21  VAL  53          HG21      VAL  53  -0.103   2.756   1.218
  333   HG22  VAL  53          HG22      VAL  53   0.501   1.251   1.937
  334   HG23  VAL  53          HG23      VAL  53  -1.206   1.388   1.520
  335    H    HIS  54           H        HIS  54   0.573   5.781   4.620
  336    HA   HIS  54           HA       HIS  54   0.446   5.270   7.518
  337    HB2  HIS  54           HB2      HIS  54   0.633   7.925   6.052
  338    HB3  HIS  54           HB3      HIS  54   0.988   7.614   7.721
  339    HD1  HIS  54           HD1      HIS  54   3.505   7.530   8.217
  340    HD2  HIS  54           HD2      HIS  54   2.535   6.350   4.309
  341    HE1  HIS  54           HE1      HIS  54   5.707   7.154   7.010
  342    H    THR  55           H        THR  55  -1.695   4.693   8.086
  343    HA   THR  55           HA       THR  55  -3.904   6.537   7.342
  344    HB   THR  55           HB       THR  55  -3.643   5.035   5.426
  345    HG1  THR  55           HG1      THR  55  -5.737   5.700   6.131
  346   HG21  THR  55          HG21      THR  55  -4.127   2.659   5.529
  347   HG22  THR  55          HG22      THR  55  -4.348   2.716   7.285
  348   HG23  THR  55          HG23      THR  55  -2.741   2.991   6.580
  349    H    THR  56           H        THR  56  -6.028   5.996   8.347
  350    HA   THR  56           HA       THR  56  -5.806   4.486  10.899
  351    HB   THR  56           HB       THR  56  -7.941   5.324  11.524
  352    HG1  THR  56           HG1      THR  56  -9.327   5.692  10.015
  353   HG21  THR  56          HG21      THR  56  -5.950   6.947  11.580
  354   HG22  THR  56          HG22      THR  56  -7.578   7.641  11.699
  355   HG23  THR  56          HG23      THR  56  -6.688   7.725  10.167
  356    H    LEU  57           H        LEU  57  -6.740   3.870   7.687
  357    HA   LEU  57           HA       LEU  57  -9.000   2.182   7.999
  358    HB2  LEU  57           HB2      LEU  57  -6.807   2.243   5.890
  359    HB3  LEU  57           HB3      LEU  57  -8.312   1.355   5.706
  360    HG   LEU  57           HG       LEU  57  -8.098   4.393   6.015
  361   HD11  LEU  57          HD11      LEU  57  -8.697   2.674   3.569
  362   HD12  LEU  57          HD12      LEU  57  -7.188   3.568   3.876
  363   HD13  LEU  57          HD13      LEU  57  -8.705   4.449   3.636
  364   HD21  LEU  57          HD21      LEU  57 -10.270   3.597   6.840
  365   HD22  LEU  57          HD22      LEU  57 -10.492   2.608   5.380
  366   HD23  LEU  57          HD23      LEU  57 -10.474   4.381   5.274
  367    HA   PRO  58           HA       PRO  58  -7.250  -1.507   9.621
  368    HB2  PRO  58           HB2      PRO  58  -9.322  -3.168   8.331
  369    HB3  PRO  58           HB3      PRO  58  -9.168  -2.748  10.058
  370    HG2  PRO  58           HG2      PRO  58 -11.199  -1.758   8.485
  371    HG3  PRO  58           HG3      PRO  58 -10.439  -0.753   9.769
  372    HD2  PRO  58           HD2      PRO  58  -9.654  -0.904   6.845
  373    HD3  PRO  58           HD3      PRO  58 -10.180   0.528   7.651
  374    H    SER  59           H        SER  59  -5.695  -3.077   8.907
  375    HA   SER  59           HA       SER  59  -4.848  -2.985   6.205
  376    HB2  SER  59           HB2      SER  59  -3.657  -5.239   6.851
  377    HB3  SER  59           HB3      SER  59  -3.073  -3.689   7.415
  378    HG   SER  59           HG       SER  59  -4.213  -4.096   9.421
  379    H    GLN  60           H        GLN  60  -7.328  -5.066   7.567
  380    HA   GLN  60           HA       GLN  60  -7.585  -6.934   5.417
  381    HB2  GLN  60           HB2      GLN  60  -9.868  -5.684   7.008
  382    HB3  GLN  60           HB3      GLN  60  -9.844  -7.230   6.184
  383    HG2  GLN  60           HG2      GLN  60  -9.515  -8.045   8.250
  384    HG3  GLN  60           HG3      GLN  60  -7.823  -7.672   7.997
  385   HE21  GLN  60          HE21      GLN  60 -10.216  -7.363  10.196
  386   HE22  GLN  60          HE22      GLN  60  -9.526  -5.986  11.050
  387    H    GLU  61           H        GLU  61  -8.443  -3.529   5.596
  388    HA   GLU  61           HA       GLU  61 -10.022  -3.526   3.099
  389    HB2  GLU  61           HB2      GLU  61 -10.545  -2.205   5.212
  390    HB3  GLU  61           HB3      GLU  61  -9.148  -1.175   4.794
  391    HG2  GLU  61           HG2      GLU  61 -10.174  -0.545   2.706
  392    HG3  GLU  61           HG3      GLU  61 -11.513  -1.677   3.023
  393    H    VAL  62           H        VAL  62  -6.888  -2.250   4.369
  394    HA   VAL  62           HA       VAL  62  -6.186  -0.969   1.944
  395    HB   VAL  62           HB       VAL  62  -4.144  -1.848   3.993
  396   HG11  VAL  62          HG11      VAL  62  -3.434  -0.656   1.904
  397   HG12  VAL  62          HG12      VAL  62  -4.484   0.695   2.362
  398   HG13  VAL  62          HG13      VAL  62  -3.080   0.261   3.371
  399   HG21  VAL  62          HG21      VAL  62  -5.738  -0.892   5.462
  400   HG22  VAL  62          HG22      VAL  62  -4.535   0.331   5.185
  401   HG23  VAL  62          HG23      VAL  62  -6.100   0.443   4.337
  402    H    GLN  63           H        GLN  63  -5.452  -4.263   3.194
  403    HA   GLN  63           HA       GLN  63  -3.578  -5.119   1.247
  404    HB2  GLN  63           HB2      GLN  63  -4.397  -6.543   3.167
  405    HB3  GLN  63           HB3      GLN  63  -5.960  -6.665   2.379
  406    HG2  GLN  63           HG2      GLN  63  -4.702  -7.702   0.358
  407    HG3  GLN  63           HG3      GLN  63  -3.265  -7.716   1.376
  408   HE21  GLN  63          HE21      GLN  63  -5.870  -9.543   0.290
  409   HE22  GLN  63          HE22      GLN  63  -5.899 -10.756   1.573
  410    H    ALA  64           H        ALA  64  -7.158  -4.827   0.989
  411    HA   ALA  64           HA       ALA  64  -7.053  -6.011  -1.664
  412    HB1  ALA  64           HB1      ALA  64  -8.830  -6.553  -0.029
  413    HB2  ALA  64           HB2      ALA  64  -9.319  -4.856   0.062
  414    HB3  ALA  64           HB3      ALA  64  -9.543  -5.773  -1.451
  415    H    LEU  65           H        LEU  65  -7.138  -2.762  -0.287
  416    HA   LEU  65           HA       LEU  65  -7.719  -1.347  -2.718
  417    HB2  LEU  65           HB2      LEU  65  -6.325  -0.640  -0.145
  418    HB3  LEU  65           HB3      LEU  65  -6.353   0.471  -1.482
  419    HG   LEU  65           HG       LEU  65  -8.864  -0.665  -0.183
  420   HD11  LEU  65          HD11      LEU  65  -9.090   1.549   0.845
  421   HD12  LEU  65          HD12      LEU  65  -7.516   2.029   0.162
  422   HD13  LEU  65          HD13      LEU  65  -7.618   0.731   1.382
  423   HD21  LEU  65          HD21      LEU  65  -9.999   1.227  -1.335
  424   HD22  LEU  65          HD22      LEU  65  -9.303   0.092  -2.487
  425   HD23  LEU  65          HD23      LEU  65  -8.476   1.632  -2.157
  426    H    LEU  66           H        LEU  66  -4.775  -2.520  -1.208
  427    HA   LEU  66           HA       LEU  66  -2.895  -1.625  -3.213
  428    HB2  LEU  66           HB2      LEU  66  -2.830  -3.682  -0.972
  429    HB3  LEU  66           HB3      LEU  66  -1.436  -3.381  -1.992
  430    HG   LEU  66           HG       LEU  66  -2.751  -1.061  -0.530
  431   HD11  LEU  66          HD11      LEU  66  -0.676  -2.987   0.586
  432   HD12  LEU  66          HD12      LEU  66  -2.323  -2.747   1.211
  433   HD13  LEU  66          HD13      LEU  66  -1.152  -1.435   1.320
  434   HD21  LEU  66          HD21      LEU  66  -0.458  -0.165  -0.625
  435   HD22  LEU  66          HD22      LEU  66  -1.019  -0.595  -2.250
  436   HD23  LEU  66          HD23      LEU  66   0.114  -1.660  -1.392
  437    H    GLU  67           H        GLU  67  -4.536  -4.801  -2.678
  438    HA   GLU  67           HA       GLU  67  -3.120  -5.894  -4.989
  439    HB2  GLU  67           HB2      GLU  67  -3.378  -7.842  -4.074
  440    HB3  GLU  67           HB3      GLU  67  -3.838  -6.911  -2.644
  441    HG2  GLU  67           HG2      GLU  67  -6.189  -7.282  -3.109
  442    HG3  GLU  67           HG3      GLU  67  -5.652  -8.373  -4.410
  443    H    GLY  68           H        GLY  68  -6.373  -4.671  -4.518
  444    HA2  GLY  68           HA2      GLY  68  -7.565  -5.563  -6.949
  445    HA3  GLY  68           HA3      GLY  68  -7.952  -4.078  -6.068
  446    H    THR  69           H        THR  69  -4.791  -3.753  -6.663
  447    HA   THR  69           HA       THR  69  -4.932  -2.070  -9.038
  448    HB   THR  69           HB       THR  69  -2.607  -1.594  -8.598
  449    HG1  THR  69           HG1      THR  69  -2.448  -3.211  -6.380
  450   HG21  THR  69          HG21      THR  69  -4.148  -1.782  -5.979
  451   HG22  THR  69          HG22      THR  69  -4.392  -0.564  -7.233
  452   HG23  THR  69          HG23      THR  69  -2.855  -0.667  -6.370
  453    H    GLY  70           H        GLY  70  -4.890  -5.396  -8.659
  454    HA2  GLY  70           HA2      GLY  70  -5.145  -6.796 -10.569
  455    HA3  GLY  70           HA3      GLY  70  -4.020  -5.795 -11.489
  456    H    ARG  71           H        ARG  71  -3.368  -6.924  -8.201
  457    HA   ARG  71           HA       ARG  71  -1.606  -9.134  -9.009
  458    HB2  ARG  71           HB2      ARG  71   0.392  -8.063  -7.956
  459    HB3  ARG  71           HB3      ARG  71  -0.190  -7.231  -9.383
  460    HG2  ARG  71           HG2      ARG  71  -1.360  -5.550  -7.907
  461    HG3  ARG  71           HG3      ARG  71  -0.719  -6.378  -6.489
  462    HD2  ARG  71           HD2      ARG  71   0.605  -4.376  -7.098
  463    HD3  ARG  71           HD3      ARG  71   1.530  -5.879  -7.139
  464    HE   ARG  71           HE       ARG  71   1.873  -5.632  -9.428
  465   HH11  ARG  71          HH11      ARG  71  -0.917  -3.564  -8.678
  466   HH12  ARG  71          HH12      ARG  71  -0.958  -3.050 -10.356
  467   HH21  ARG  71          HH21      ARG  71   1.750  -4.683 -11.450
  468   HH22  ARG  71          HH22      ARG  71   0.384  -3.613 -11.764
  469    H    GLN  72           H        GLN  72  -0.203  -9.343  -6.598
  470    HA   GLN  72           HA       GLN  72  -2.327  -9.729  -4.548
  471    HB2  GLN  72           HB2      GLN  72  -1.073 -11.729  -5.230
  472    HB3  GLN  72           HB3      GLN  72   0.430 -11.007  -4.616
  473    HG2  GLN  72           HG2      GLN  72  -0.569 -10.905  -2.346
  474    HG3  GLN  72           HG3      GLN  72  -2.114 -11.465  -3.006
  475   HE21  GLN  72          HE21      GLN  72  -1.848 -12.915  -1.166
  476   HE22  GLN  72          HE22      GLN  72  -0.919 -14.410  -1.396
  477    H    ALA  73           H        ALA  73  -2.078  -9.037  -2.531
  478    HA   ALA  73           HA       ALA  73   0.286  -7.384  -1.614
  479    HB1  ALA  73           HB1      ALA  73  -1.746  -5.982  -2.151
  480    HB2  ALA  73           HB2      ALA  73  -2.621  -6.917  -0.922
  481    HB3  ALA  73           HB3      ALA  73  -1.226  -5.924  -0.445
  482    H    VAL  74           H        VAL  74   1.070  -7.982   0.342
  483    HA   VAL  74           HA       VAL  74  -0.527  -9.617   2.267
  484    HB   VAL  74           HB       VAL  74   2.216 -10.293   1.170
  485   HG11  VAL  74          HG11      VAL  74   0.888 -11.429   3.660
  486   HG12  VAL  74          HG12      VAL  74   2.289 -12.156   2.845
  487   HG13  VAL  74          HG13      VAL  74   2.442 -10.556   3.570
  488   HG21  VAL  74          HG21      VAL  74  -0.362 -11.903   1.382
  489   HG22  VAL  74          HG22      VAL  74   0.381 -11.280  -0.109
  490   HG23  VAL  74          HG23      VAL  74   1.194 -12.548   0.805
  491    H    LEU  75           H        LEU  75  -0.407  -8.632   4.196
  492    HA   LEU  75           HA       LEU  75   1.423  -6.456   4.657
  493    HB2  LEU  75           HB2      LEU  75  -0.850  -6.556   5.428
  494    HB3  LEU  75           HB3      LEU  75  -0.451  -7.801   6.551
  495    HG   LEU  75           HG       LEU  75   0.857  -6.311   7.938
  496   HD11  LEU  75          HD11      LEU  75   0.922  -4.492   5.502
  497   HD12  LEU  75          HD12      LEU  75   2.268  -4.966   6.577
  498   HD13  LEU  75          HD13      LEU  75   1.074  -3.804   7.104
  499   HD21  LEU  75          HD21      LEU  75  -1.138  -4.649   6.485
  500   HD22  LEU  75          HD22      LEU  75  -0.631  -4.427   8.214
  501   HD23  LEU  75          HD23      LEU  75  -1.584  -5.869   7.743
  502    H    LYS  76           H        LYS  76   3.170  -6.291   5.849
  503    HA   LYS  76           HA       LYS  76   4.459  -8.806   6.854
  504    HB2  LYS  76           HB2      LYS  76   5.777  -6.184   6.054
  505    HB3  LYS  76           HB3      LYS  76   6.592  -7.620   6.601
  506    HG2  LYS  76           HG2      LYS  76   4.924  -7.424   4.052
  507    HG3  LYS  76           HG3      LYS  76   6.681  -7.320   4.127
  508    HD2  LYS  76           HD2      LYS  76   5.009  -9.746   4.887
  509    HD3  LYS  76           HD3      LYS  76   5.867  -9.520   3.367
  510    HE2  LYS  76           HE2      LYS  76   8.035  -9.419   4.581
  511    HE3  LYS  76           HE3      LYS  76   7.184  -9.679   6.110
  512    HZ1  LYS  76           HZ1      LYS  76   8.060 -11.766   5.197
  513    HZ2  LYS  76           HZ2      LYS  76   7.185 -11.573   3.829
  514    HZ3  LYS  76           HZ3      LYS  76   6.400 -11.813   5.237
  515    H    GLY  77           H        GLY  77   3.736  -5.477   7.768
  516    HA2  GLY  77           HA2      GLY  77   2.724  -5.982  10.234
  517    HA3  GLY  77           HA3      GLY  77   4.459  -5.773  10.573
  518    H    MET  78           H        MET  78   4.110  -3.808  11.734
  519    HA   MET  78           HA       MET  78   3.160  -1.484  10.168
  520    HB2  MET  78           HB2      MET  78   3.078  -2.102  13.149
  521    HB3  MET  78           HB3      MET  78   2.772  -0.526  12.447
  522    HG2  MET  78           HG2      MET  78   0.612  -1.329  12.586
  523    HG3  MET  78           HG3      MET  78   1.039  -1.748  10.935
  524    HE1  MET  78           HE1      MET  78  -1.239  -4.730  11.625
  525    HE2  MET  78           HE2      MET  78  -1.475  -3.015  12.037
  526    HE3  MET  78           HE3      MET  78  -0.718  -3.462  10.490
  527    H    GLY  79           H        GLY  79   4.209   0.502  10.491
  528    HA2  GLY  79           HA2      GLY  79   7.128   0.364  10.730
  529    HA3  GLY  79           HA3      GLY  79   6.178   1.789  10.347
  Start of MODEL   13
    1    H    GLY   9           H        GLY   9  -8.545   2.904  14.195
    2    HA2  GLY   9           HA2      GLY   9  -9.359   4.326  12.369
    3    HA3  GLY   9           HA3      GLY   9 -10.581   5.008  13.452
    4    H    THR  10           H        THR  10  -7.052   4.440  13.684
    5    HA   THR  10           HA       THR  10  -6.477   7.309  13.939
    6    HB   THR  10           HB       THR  10  -6.941   6.564  16.175
    7    HG1  THR  10           HG1      THR  10  -4.927   6.958  17.148
    8   HG21  THR  10          HG21      THR  10  -4.716   4.513  15.837
    9   HG22  THR  10          HG22      THR  10  -6.451   4.141  15.952
   10   HG23  THR  10          HG23      THR  10  -5.626   4.858  17.322
   11    H    LEU  11           H        LEU  11  -4.226   7.845  13.739
   12    HA   LEU  11           HA       LEU  11  -3.321   6.523  11.438
   13    HB2  LEU  11           HB2      LEU  11  -2.769   9.009  12.985
   14    HB3  LEU  11           HB3      LEU  11  -1.474   8.469  11.977
   15    HG   LEU  11           HG       LEU  11  -4.317   8.775  10.973
   16   HD11  LEU  11          HD11      LEU  11  -3.878  10.868  10.079
   17   HD12  LEU  11          HD12      LEU  11  -2.145  10.816  10.506
   18   HD13  LEU  11          HD13      LEU  11  -3.392  10.958  11.774
   19   HD21  LEU  11          HD21      LEU  11  -1.745   8.826   9.357
   20   HD22  LEU  11          HD22      LEU  11  -3.412   8.812   8.744
   21   HD23  LEU  11          HD23      LEU  11  -2.740   7.384   9.554
   22    H    CYS  12           H        CYS  12  -2.019   5.037  11.068
   23    HA   CYS  12           HA       CYS  12   0.513   4.673  12.550
   24    HB2  CYS  12           HB2      CYS  12  -1.330   3.001  13.296
   25    HB3  CYS  12           HB3      CYS  12  -1.139   2.306  11.661
   26    HG   CYS  12           HG       CYS  12   1.122   1.381  11.818
   27    H    THR  13           H        THR  13   2.002   3.374  11.253
   28    HA   THR  13           HA       THR  13   1.727   3.574   8.270
   29    HB   THR  13           HB       THR  13   3.897   2.252   9.881
   30    HG1  THR  13           HG1      THR  13   5.156   4.092   9.463
   31   HG21  THR  13          HG21      THR  13   3.840   1.644   7.465
   32   HG22  THR  13          HG22      THR  13   5.245   2.653   7.785
   33   HG23  THR  13          HG23      THR  13   3.811   3.371   7.030
   34    H    LEU  14           H        LEU  14   1.038   1.820   7.137
   35    HA   LEU  14           HA       LEU  14   1.367  -0.941   8.299
   36    HB2  LEU  14           HB2      LEU  14  -1.002   0.345   7.093
   37    HB3  LEU  14           HB3      LEU  14  -0.603  -1.276   6.511
   38    HG   LEU  14           HG       LEU  14  -0.545  -0.674   9.509
   39   HD11  LEU  14          HD11      LEU  14  -2.706  -0.014   8.687
   40   HD12  LEU  14          HD12      LEU  14  -2.785  -1.516   9.640
   41   HD13  LEU  14          HD13      LEU  14  -2.864  -1.587   7.842
   42   HD21  LEU  14          HD21      LEU  14   0.432  -2.826   8.856
   43   HD22  LEU  14          HD22      LEU  14  -0.945  -3.152   7.784
   44   HD23  LEU  14          HD23      LEU  14  -1.162  -3.140   9.542
   45    H    GLU  15           H        GLU  15   2.346  -2.348   7.166
   46    HA   GLU  15           HA       GLU  15   3.919  -1.300   4.864
   47    HB2  GLU  15           HB2      GLU  15   4.856  -0.901   7.048
   48    HB3  GLU  15           HB3      GLU  15   4.813  -2.652   7.402
   49    HG2  GLU  15           HG2      GLU  15   6.287  -3.035   5.493
   50    HG3  GLU  15           HG3      GLU  15   6.369  -1.285   5.215
   51    H    PHE  16           H        PHE  16   3.204  -2.445   3.349
   52    HA   PHE  16           HA       PHE  16   2.787  -5.414   3.522
   53    HB2  PHE  16           HB2      PHE  16   1.661  -3.291   1.653
   54    HB3  PHE  16           HB3      PHE  16   1.460  -5.011   1.405
   55    HD1  PHE  16           HD2      PHE  16   0.487  -2.227   3.639
   56    HD2  PHE  16           HD1      PHE  16  -0.085  -6.365   2.551
   57    HE1  PHE  16           HE2      PHE  16  -1.710  -2.237   4.806
   58    HE2  PHE  16           HE1      PHE  16  -2.275  -6.373   3.725
   59    HZ   PHE  16           HZ       PHE  16  -3.106  -4.293   4.802
   60    H    ALA  17           H        ALA  17   3.569  -6.814   2.132
   61    HA   ALA  17           HA       ALA  17   5.540  -5.935   0.057
   62    HB1  ALA  17           HB1      ALA  17   4.860  -8.710   1.047
   63    HB2  ALA  17           HB2      ALA  17   6.159  -8.276  -0.089
   64    HB3  ALA  17           HB3      ALA  17   6.236  -7.717   1.598
   65    H    VAL  18           H        VAL  18   5.155  -6.397  -2.161
   66    HA   VAL  18           HA       VAL  18   2.433  -7.343  -2.955
   67    HB   VAL  18           HB       VAL  18   2.420  -5.340  -4.605
   68   HG11  VAL  18          HG11      VAL  18   2.118  -4.684  -1.638
   69   HG12  VAL  18          HG12      VAL  18   1.373  -3.832  -3.002
   70   HG13  VAL  18          HG13      VAL  18   0.889  -5.495  -2.639
   71   HG21  VAL  18          HG21      VAL  18   4.741  -4.672  -4.270
   72   HG22  VAL  18          HG22      VAL  18   3.552  -3.374  -3.962
   73   HG23  VAL  18          HG23      VAL  18   4.353  -4.198  -2.611
   74    H    GLN  19           H        GLN  19   2.179  -7.934  -5.213
   75    HA   GLN  19           HA       GLN  19   4.758  -8.851  -6.423
   76    HB2  GLN  19           HB2      GLN  19   1.851  -9.429  -7.074
   77    HB3  GLN  19           HB3      GLN  19   3.220 -10.015  -8.036
   78    HG2  GLN  19           HG2      GLN  19   4.122 -11.243  -6.123
   79    HG3  GLN  19           HG3      GLN  19   2.876 -10.582  -5.067
   80   HE21  GLN  19          HE21      GLN  19   2.663 -12.938  -4.645
   81   HE22  GLN  19          HE22      GLN  19   1.432 -13.790  -5.584
   82    H    MET  20           H        MET  20   5.600  -6.740  -6.977
   83    HA   MET  20           HA       MET  20   4.996  -6.226  -9.786
   84    HB2  MET  20           HB2      MET  20   4.940  -3.774  -9.525
   85    HB3  MET  20           HB3      MET  20   3.554  -4.541  -8.750
   86    HG2  MET  20           HG2      MET  20   4.693  -4.352  -6.555
   87    HG3  MET  20           HG3      MET  20   6.070  -3.568  -7.339
   88    HE1  MET  20           HE1      MET  20   4.309  -1.063  -4.991
   89    HE2  MET  20           HE2      MET  20   5.226  -2.600  -5.059
   90    HE3  MET  20           HE3      MET  20   5.908  -1.117  -5.771
   91    H    THR  21           H        THR  21   6.732  -5.160 -10.884
   92    HA   THR  21           HA       THR  21   9.329  -4.960  -9.463
   93    HB   THR  21           HB       THR  21   9.174  -7.270  -9.776
   94    HG1  THR  21           HG1      THR  21  11.021  -7.501 -10.567
   95   HG21  THR  21          HG21      THR  21   8.308  -6.730 -12.616
   96   HG22  THR  21          HG22      THR  21   7.493  -7.681 -11.366
   97   HG23  THR  21          HG23      THR  21   8.976  -8.299 -12.101
   98    H    CYS  22           H        CYS  22   7.420  -4.085 -12.296
   99    HA   CYS  22           HA       CYS  22   9.741  -2.441 -13.169
  100    HB2  CYS  22           HB2      CYS  22   9.011  -2.525 -15.399
  101    HB3  CYS  22           HB3      CYS  22   9.287  -4.101 -14.762
  102    H    GLN  23           H        GLN  23   9.344  -0.408 -14.105
  103    HA   GLN  23           HA       GLN  23   8.465   1.189 -12.023
  104    HB2  GLN  23           HB2      GLN  23   9.221   1.936 -14.856
  105    HB3  GLN  23           HB3      GLN  23   8.977   3.103 -13.569
  106    HG2  GLN  23           HG2      GLN  23  11.103   0.933 -13.656
  107    HG3  GLN  23           HG3      GLN  23  11.340   2.673 -13.797
  108   HE21  GLN  23          HE21      GLN  23  10.091   3.843 -11.632
  109   HE22  GLN  23          HE22      GLN  23  10.740   3.135 -10.168
  110    H    SER  24           H        SER  24   6.456   0.293 -14.754
  111    HA   SER  24           HA       SER  24   4.561   2.491 -14.495
  112    HB2  SER  24           HB2      SER  24   3.944  -0.294 -15.555
  113    HB3  SER  24           HB3      SER  24   3.162   1.239 -15.973
  114    HG   SER  24           HG       SER  24   5.741   0.259 -16.651
  115    H    CYS  25           H        CYS  25   4.825  -0.693 -12.908
  116    HA   CYS  25           HA       CYS  25   2.147  -0.651 -11.844
  117    HB2  CYS  25           HB2      CYS  25   4.617  -2.321 -11.243
  118    HB3  CYS  25           HB3      CYS  25   2.997  -2.637 -10.622
  119    H    VAL  26           H        VAL  26   5.390   0.066 -10.521
  120    HA   VAL  26           HA       VAL  26   4.983   0.739  -7.886
  121    HB   VAL  26           HB       VAL  26   6.553   2.567  -9.755
  122   HG11  VAL  26          HG11      VAL  26   7.075   1.354  -7.007
  123   HG12  VAL  26          HG12      VAL  26   8.272   2.297  -7.909
  124   HG13  VAL  26          HG13      VAL  26   6.775   3.078  -7.419
  125   HG21  VAL  26          HG21      VAL  26   7.001   0.463 -10.656
  126   HG22  VAL  26          HG22      VAL  26   8.398   0.960  -9.708
  127   HG23  VAL  26          HG23      VAL  26   7.256  -0.265  -9.054
  128    H    ASP  27           H        ASP  27   4.598   2.989 -10.645
  129    HA   ASP  27           HA       ASP  27   3.303   5.062  -9.093
  130    HB2  ASP  27           HB2      ASP  27   3.905   4.506 -11.991
  131    HB3  ASP  27           HB3      ASP  27   2.650   5.668 -11.629
  132    H    ALA  28           H        ALA  28   2.044   2.224 -10.861
  133    HA   ALA  28           HA       ALA  28  -0.678   3.240 -10.967
  134    HB1  ALA  28           HB1      ALA  28  -1.338   0.945 -11.408
  135    HB2  ALA  28           HB2      ALA  28   0.078   1.370 -12.405
  136    HB3  ALA  28           HB3      ALA  28   0.257   0.346 -10.950
  137    H    VAL  29           H        VAL  29   1.031   1.020  -8.639
  138    HA   VAL  29           HA       VAL  29  -1.234   0.831  -6.981
  139    HB   VAL  29           HB       VAL  29   1.643   0.297  -6.144
  140   HG11  VAL  29          HG11      VAL  29  -0.175   0.306  -4.378
  141   HG12  VAL  29          HG12      VAL  29  -1.027  -0.928  -5.353
  142   HG13  VAL  29          HG13      VAL  29   0.554  -1.292  -4.620
  143   HG21  VAL  29          HG21      VAL  29   1.128  -1.085  -8.193
  144   HG22  VAL  29          HG22      VAL  29   1.209  -2.064  -6.740
  145   HG23  VAL  29          HG23      VAL  29  -0.367  -1.611  -7.437
  146    H    ARG  30           H        ARG  30   1.635   3.033  -6.876
  147    HA   ARG  30           HA       ARG  30   0.967   4.416  -4.453
  148    HB2  ARG  30           HB2      ARG  30   2.106   5.358  -7.154
  149    HB3  ARG  30           HB3      ARG  30   1.981   6.450  -5.796
  150    HG2  ARG  30           HG2      ARG  30   3.711   5.467  -4.610
  151    HG3  ARG  30           HG3      ARG  30   3.626   3.939  -5.485
  152    HD2  ARG  30           HD2      ARG  30   4.988   4.669  -7.192
  153    HD3  ARG  30           HD3      ARG  30   4.179   6.241  -7.272
  154    HE   ARG  30           HE       ARG  30   5.872   6.045  -4.927
  155   HH11  ARG  30          HH11      ARG  30   6.029   6.851  -8.403
  156   HH12  ARG  30          HH12      ARG  30   7.453   7.837  -8.081
  157   HH21  ARG  30          HH21      ARG  30   7.638   7.248  -4.762
  158   HH22  ARG  30          HH22      ARG  30   8.276   8.083  -6.193
  159    H    LYS  31           H        LYS  31  -0.331   4.860  -7.775
  160    HA   LYS  31           HA       LYS  31  -1.991   7.088  -6.838
  161    HB2  LYS  31           HB2      LYS  31  -1.597   5.898  -9.591
  162    HB3  LYS  31           HB3      LYS  31  -2.660   7.282  -9.208
  163    HG2  LYS  31           HG2      LYS  31  -0.753   8.344  -7.979
  164    HG3  LYS  31           HG3      LYS  31   0.327   7.083  -8.547
  165    HD2  LYS  31           HD2      LYS  31   0.165   7.879 -10.819
  166    HD3  LYS  31           HD3      LYS  31  -1.134   9.035 -10.369
  167    HE2  LYS  31           HE2      LYS  31   0.329  10.114  -8.727
  168    HE3  LYS  31           HE3      LYS  31   1.613   8.943  -9.034
  169    HZ1  LYS  31           HZ1      LYS  31   1.771   9.782 -11.310
  170    HZ2  LYS  31           HZ2      LYS  31   2.058  10.973 -10.224
  171    HZ3  LYS  31           HZ3      LYS  31   0.599  10.919 -10.987
  172    H    SER  32           H        SER  32  -2.541   3.707  -7.128
  173    HA   SER  32           HA       SER  32  -5.390   3.761  -6.795
  174    HB2  SER  32           HB2      SER  32  -5.192   1.511  -6.285
  175    HB3  SER  32           HB3      SER  32  -3.670   1.784  -7.123
  176    HG   SER  32           HG       SER  32  -2.611   1.957  -5.145
  177    H    LEU  33           H        LEU  33  -2.730   4.290  -4.506
  178    HA   LEU  33           HA       LEU  33  -4.408   4.442  -2.118
  179    HB2  LEU  33           HB2      LEU  33  -1.527   5.334  -2.485
  180    HB3  LEU  33           HB3      LEU  33  -2.328   4.926  -0.979
  181    HG   LEU  33           HG       LEU  33  -1.882   2.836  -3.123
  182   HD11  LEU  33          HD11      LEU  33   0.307   3.940  -2.523
  183   HD12  LEU  33          HD12      LEU  33   0.200   2.216  -2.151
  184   HD13  LEU  33          HD13      LEU  33   0.044   3.424  -0.854
  185   HD21  LEU  33          HD21      LEU  33  -1.871   1.310  -1.287
  186   HD22  LEU  33          HD22      LEU  33  -3.389   2.233  -1.323
  187   HD23  LEU  33          HD23      LEU  33  -2.120   2.638  -0.125
  188    H    GLN  34           H        GLN  34  -2.727   6.771  -4.238
  189    HA   GLN  34           HA       GLN  34  -3.080   9.085  -2.677
  190    HB2  GLN  34           HB2      GLN  34  -2.610   8.499  -5.572
  191    HB3  GLN  34           HB3      GLN  34  -3.088  10.119  -5.197
  192    HG2  GLN  34           HG2      GLN  34  -1.210  10.370  -3.618
  193    HG3  GLN  34           HG3      GLN  34  -0.763   8.698  -3.880
  194   HE21  GLN  34          HE21      GLN  34   1.419   9.781  -4.563
  195   HE22  GLN  34          HE22      GLN  34   1.500  10.389  -6.216
  196    H    GLY  35           H        GLY  35  -4.518  10.527  -2.416
  197    HA2  GLY  35           HA2      GLY  35  -6.628  11.446  -2.125
  198    HA3  GLY  35           HA3      GLY  35  -6.998  10.916  -3.763
  199    H    VAL  36           H        VAL  36  -6.298   8.517  -1.158
  200    HA   VAL  36           HA       VAL  36  -9.099   7.572  -1.290
  201    HB   VAL  36           HB       VAL  36  -6.588   6.350  -0.105
  202   HG11  VAL  36          HG11      VAL  36  -7.990   4.338   0.342
  203   HG12  VAL  36          HG12      VAL  36  -8.415   5.697   1.375
  204   HG13  VAL  36          HG13      VAL  36  -9.444   5.286  -0.019
  205   HG21  VAL  36          HG21      VAL  36  -6.863   6.192  -2.580
  206   HG22  VAL  36          HG22      VAL  36  -7.002   4.611  -1.807
  207   HG23  VAL  36          HG23      VAL  36  -8.465   5.463  -2.353
  208    H    ALA  37           H        ALA  37 -10.468   7.777   0.286
  209    HA   ALA  37           HA       ALA  37 -10.141   9.648   2.429
  210    HB1  ALA  37           HB1      ALA  37 -12.321   9.112   1.454
  211    HB2  ALA  37           HB2      ALA  37 -12.208   7.441   2.051
  212    HB3  ALA  37           HB3      ALA  37 -12.329   8.793   3.198
  213    H    GLY  38           H        GLY  38  -8.935   9.451   4.193
  214    HA2  GLY  38           HA2      GLY  38  -8.566   8.512   6.363
  215    HA3  GLY  38           HA3      GLY  38  -8.810   6.889   5.722
  216    H    VAL  39           H        VAL  39  -6.869   8.548   3.519
  217    HA   VAL  39           HA       VAL  39  -4.346   7.484   4.689
  218    HB   VAL  39           HB       VAL  39  -5.258   7.052   2.249
  219   HG11  VAL  39          HG11      VAL  39  -5.359   9.471   1.588
  220   HG12  VAL  39          HG12      VAL  39  -3.589   9.518   1.666
  221   HG13  VAL  39          HG13      VAL  39  -4.399   8.437   0.522
  222   HG21  VAL  39          HG21      VAL  39  -3.155   6.164   3.197
  223   HG22  VAL  39          HG22      VAL  39  -2.945   6.658   1.511
  224   HG23  VAL  39          HG23      VAL  39  -2.323   7.687   2.819
  225    H    GLN  40           H        GLN  40  -2.621   8.799   5.236
  226    HA   GLN  40           HA       GLN  40  -2.879  11.733   4.754
  227    HB2  GLN  40           HB2      GLN  40  -1.519  10.090   6.921
  228    HB3  GLN  40           HB3      GLN  40  -1.120  11.764   6.627
  229    HG2  GLN  40           HG2      GLN  40  -3.847  10.711   7.408
  230    HG3  GLN  40           HG3      GLN  40  -2.698  11.616   8.405
  231   HE21  GLN  40          HE21      GLN  40  -5.515  12.341   7.826
  232   HE22  GLN  40          HE22      GLN  40  -5.356  13.949   7.118
  233    H    ASP  41           H        ASP  41  -0.558   8.971   4.641
  234    HA   ASP  41           HA       ASP  41   0.825  10.251   2.398
  235    HB2  ASP  41           HB2      ASP  41   2.110   9.825   5.116
  236    HB3  ASP  41           HB3      ASP  41   3.069   9.733   3.671
  237    H    VAL  42           H        VAL  42   2.519   8.895   1.585
  238    HA   VAL  42           HA       VAL  42   2.378   5.987   2.074
  239    HB   VAL  42           HB       VAL  42   2.067   5.533  -0.350
  240   HG11  VAL  42          HG11      VAL  42   0.186   5.271   1.213
  241   HG12  VAL  42          HG12      VAL  42  -0.314   6.952   0.900
  242   HG13  VAL  42          HG13      VAL  42  -0.341   5.763  -0.404
  243   HG21  VAL  42          HG21      VAL  42   1.022   7.161  -1.835
  244   HG22  VAL  42          HG22      VAL  42   1.110   8.415  -0.582
  245   HG23  VAL  42          HG23      VAL  42   2.595   7.756  -1.297
  246    H    GLU  43           H        GLU  43   4.180   4.819   1.242
  247    HA   GLU  43           HA       GLU  43   6.141   6.191  -0.484
  248    HB2  GLU  43           HB2      GLU  43   6.755   6.488   1.936
  249    HB3  GLU  43           HB3      GLU  43   6.793   4.734   2.084
  250    HG2  GLU  43           HG2      GLU  43   8.904   5.347   1.738
  251    HG3  GLU  43           HG3      GLU  43   8.490   4.705   0.165
  252    H    VAL  44           H        VAL  44   6.862   4.692  -2.082
  253    HA   VAL  44           HA       VAL  44   6.333   1.789  -1.578
  254    HB   VAL  44           HB       VAL  44   5.024   2.844  -3.410
  255   HG11  VAL  44          HG11      VAL  44   6.004   3.338  -5.469
  256   HG12  VAL  44          HG12      VAL  44   6.906   4.314  -4.289
  257   HG13  VAL  44          HG13      VAL  44   7.632   2.842  -4.960
  258   HG21  VAL  44          HG21      VAL  44   5.375   1.029  -4.930
  259   HG22  VAL  44          HG22      VAL  44   6.965   0.665  -4.210
  260   HG23  VAL  44          HG23      VAL  44   5.483   0.450  -3.252
  261    H    HIS  45           H        HIS  45   7.958   0.401  -1.724
  262    HA   HIS  45           HA       HIS  45  10.624   1.362  -2.611
  263    HB2  HIS  45           HB2      HIS  45   9.929  -0.432  -0.251
  264    HB3  HIS  45           HB3      HIS  45  11.529  -0.344  -0.948
  265    HD1  HIS  45           HD1      HIS  45  13.104   1.412   0.050
  266    HD2  HIS  45           HD2      HIS  45   9.037   2.056   0.888
  267    HE1  HIS  45           HE1      HIS  45  13.020   3.309   1.758
  268    H    LEU  46           H        LEU  46  10.271   0.652  -4.646
  269    HA   LEU  46           HA       LEU  46   9.331  -1.890  -5.525
  270    HB2  LEU  46           HB2      LEU  46   9.624   0.303  -6.761
  271    HB3  LEU  46           HB3      LEU  46  11.342   0.037  -6.791
  272    HG   LEU  46           HG       LEU  46   9.968  -0.446  -8.881
  273   HD11  LEU  46          HD11      LEU  46  12.331  -1.114  -8.583
  274   HD12  LEU  46          HD12      LEU  46  11.402  -2.149  -9.669
  275   HD13  LEU  46          HD13      LEU  46  11.782  -2.714  -8.035
  276   HD21  LEU  46          HD21      LEU  46   8.888  -2.536  -9.175
  277   HD22  LEU  46          HD22      LEU  46   8.207  -1.842  -7.696
  278   HD23  LEU  46          HD23      LEU  46   9.415  -3.141  -7.593
  279    H    GLU  47           H        GLU  47  12.510  -0.737  -4.543
  280    HA   GLU  47           HA       GLU  47  14.020  -3.060  -5.364
  281    HB2  GLU  47           HB2      GLU  47  14.666  -0.940  -3.279
  282    HB3  GLU  47           HB3      GLU  47  15.784  -2.179  -3.858
  283    HG2  GLU  47           HG2      GLU  47  15.378  -1.318  -6.219
  284    HG3  GLU  47           HG3      GLU  47  14.536   0.055  -5.517
  285    H    ASP  48           H        ASP  48  11.799  -2.784  -2.746
  286    HA   ASP  48           HA       ASP  48  12.728  -5.457  -1.756
  287    HB2  ASP  48           HB2      ASP  48  12.543  -3.339  -0.125
  288    HB3  ASP  48           HB3      ASP  48  10.847  -3.733  -0.172
  289    H    GLN  49           H        GLN  49  10.557  -4.103  -3.776
  290    HA   GLN  49           HA       GLN  49   8.387  -4.091  -4.278
  291    HB2  GLN  49           HB2      GLN  49   8.168  -6.986  -3.477
  292    HB3  GLN  49           HB3      GLN  49   7.262  -6.070  -4.680
  293    HG2  GLN  49           HG2      GLN  49   8.615  -7.263  -6.061
  294    HG3  GLN  49           HG3      GLN  49   9.566  -5.790  -5.913
  295   HE21  GLN  49          HE21      GLN  49   9.121  -9.061  -4.467
  296   HE22  GLN  49          HE22      GLN  49  10.838  -9.345  -4.205
  297    H    MET  50           H        MET  50   8.911  -3.061  -1.753
  298    HA   MET  50           HA       MET  50   6.583  -3.915  -0.111
  299    HB2  MET  50           HB2      MET  50   8.715  -4.055   0.977
  300    HB3  MET  50           HB3      MET  50   9.082  -2.366   0.631
  301    HG2  MET  50           HG2      MET  50   7.510  -1.564   2.208
  302    HG3  MET  50           HG3      MET  50   6.635  -3.089   2.253
  303    HE1  MET  50           HE1      MET  50   8.412  -5.414   2.818
  304    HE2  MET  50           HE2      MET  50   8.346  -5.358   4.595
  305    HE3  MET  50           HE3      MET  50   6.909  -4.919   3.640
  306    H    VAL  51           H        VAL  51   5.144  -2.388   0.801
  307    HA   VAL  51           HA       VAL  51   5.156   0.389  -0.240
  308    HB   VAL  51           HB       VAL  51   2.523  -1.079   0.080
  309   HG11  VAL  51          HG11      VAL  51   2.646   1.396  -0.245
  310   HG12  VAL  51          HG12      VAL  51   3.590   1.138  -1.732
  311   HG13  VAL  51          HG13      VAL  51   1.891   0.606  -1.643
  312   HG21  VAL  51          HG21      VAL  51   4.227  -1.269  -2.418
  313   HG22  VAL  51          HG22      VAL  51   3.561  -2.578  -1.410
  314   HG23  VAL  51          HG23      VAL  51   2.469  -1.559  -2.351
  315    H    LEU  52           H        LEU  52   4.712   1.879   1.240
  316    HA   LEU  52           HA       LEU  52   3.719   1.123   3.950
  317    HB2  LEU  52           HB2      LEU  52   5.382   3.496   3.041
  318    HB3  LEU  52           HB3      LEU  52   4.699   3.319   4.629
  319    HG   LEU  52           HG       LEU  52   6.132   1.173   4.869
  320   HD11  LEU  52          HD11      LEU  52   8.250   1.241   3.467
  321   HD12  LEU  52          HD12      LEU  52   7.402   2.356   2.374
  322   HD13  LEU  52          HD13      LEU  52   6.821   0.691   2.606
  323   HD21  LEU  52          HD21      LEU  52   8.118   2.462   5.459
  324   HD22  LEU  52          HD22      LEU  52   6.669   3.361   5.928
  325   HD23  LEU  52          HD23      LEU  52   7.560   3.831   4.462
  326    H    VAL  53           H        VAL  53   1.955   2.043   4.673
  327    HA   VAL  53           HA       VAL  53   0.663   4.272   3.181
  328    HB   VAL  53           HB       VAL  53  -0.792   1.779   4.141
  329   HG11  VAL  53          HG11      VAL  53  -2.698   2.745   2.924
  330   HG12  VAL  53          HG12      VAL  53  -2.105   3.922   4.102
  331   HG13  VAL  53          HG13      VAL  53  -1.699   4.114   2.388
  332   HG21  VAL  53          HG21      VAL  53   0.007   2.551   1.318
  333   HG22  VAL  53          HG22      VAL  53   0.500   1.101   2.214
  334   HG23  VAL  53          HG23      VAL  53  -1.183   1.291   1.731
  335    H    HIS  54           H        HIS  54   0.739   5.860   4.584
  336    HA   HIS  54           HA       HIS  54   0.449   5.450   7.486
  337    HB2  HIS  54           HB2      HIS  54   0.913   7.969   5.865
  338    HB3  HIS  54           HB3      HIS  54   0.919   7.867   7.598
  339    HD1  HIS  54           HD1      HIS  54   3.188   7.148   8.746
  340    HD2  HIS  54           HD2      HIS  54   3.010   6.405   4.611
  341    HE1  HIS  54           HE1      HIS  54   5.529   6.477   8.039
  342    H    THR  55           H        THR  55  -1.633   4.951   8.012
  343    HA   THR  55           HA       THR  55  -3.899   6.644   7.067
  344    HB   THR  55           HB       THR  55  -3.626   5.035   5.309
  345    HG1  THR  55           HG1      THR  55  -5.726   5.575   6.042
  346   HG21  THR  55          HG21      THR  55  -2.519   3.138   6.540
  347   HG22  THR  55          HG22      THR  55  -3.929   2.627   5.602
  348   HG23  THR  55          HG23      THR  55  -4.058   2.809   7.360
  349    H    THR  56           H        THR  56  -5.826   6.419   8.226
  350    HA   THR  56           HA       THR  56  -5.733   5.101  10.851
  351    HB   THR  56           HB       THR  56  -7.951   5.996  11.214
  352    HG1  THR  56           HG1      THR  56  -9.028   6.001   9.389
  353   HG21  THR  56          HG21      THR  56  -6.276   8.132   9.878
  354   HG22  THR  56          HG22      THR  56  -5.968   7.449  11.493
  355   HG23  THR  56          HG23      THR  56  -7.474   8.317  11.180
  356    H    LEU  57           H        LEU  57  -6.521   3.928   7.753
  357    HA   LEU  57           HA       LEU  57  -8.847   2.383   8.313
  358    HB2  LEU  57           HB2      LEU  57  -6.697   2.171   6.172
  359    HB3  LEU  57           HB3      LEU  57  -8.183   1.248   6.115
  360    HG   LEU  57           HG       LEU  57  -7.979   4.294   6.019
  361   HD11  LEU  57          HD11      LEU  57  -8.765   4.017   3.720
  362   HD12  LEU  57          HD12      LEU  57  -8.827   2.253   3.923
  363   HD13  LEU  57          HD13      LEU  57  -7.265   3.110   3.962
  364   HD21  LEU  57          HD21      LEU  57 -10.065   3.722   7.139
  365   HD22  LEU  57          HD22      LEU  57 -10.433   2.507   5.891
  366   HD23  LEU  57          HD23      LEU  57 -10.392   4.241   5.494
  367    HA   PRO  58           HA       PRO  58  -7.334  -1.424  10.005
  368    HB2  PRO  58           HB2      PRO  58  -9.385  -2.996   8.621
  369    HB3  PRO  58           HB3      PRO  58  -9.304  -2.552  10.349
  370    HG2  PRO  58           HG2      PRO  58 -11.206  -1.533   8.624
  371    HG3  PRO  58           HG3      PRO  58 -10.530  -0.565   9.979
  372    HD2  PRO  58           HD2      PRO  58  -9.544  -0.682   7.119
  373    HD3  PRO  58           HD3      PRO  58 -10.080   0.739   7.930
  374    H    SER  59           H        SER  59  -5.818  -3.099   9.400
  375    HA   SER  59           HA       SER  59  -4.705  -2.910   6.831
  376    HB2  SER  59           HB2      SER  59  -3.972  -5.483   7.808
  377    HB3  SER  59           HB3      SER  59  -3.042  -3.996   7.724
  378    HG   SER  59           HG       SER  59  -4.044  -5.291   9.865
  379    H    GLN  60           H        GLN  60  -7.328  -5.040   7.814
  380    HA   GLN  60           HA       GLN  60  -7.360  -6.814   5.575
  381    HB2  GLN  60           HB2      GLN  60  -9.891  -5.694   6.805
  382    HB3  GLN  60           HB3      GLN  60  -9.594  -7.269   6.095
  383    HG2  GLN  60           HG2      GLN  60  -9.606  -7.892   8.267
  384    HG3  GLN  60           HG3      GLN  60  -7.907  -7.475   8.223
  385   HE21  GLN  60          HE21      GLN  60 -10.821  -6.837   9.810
  386   HE22  GLN  60          HE22      GLN  60 -10.151  -5.502  10.736
  387    H    GLU  61           H        GLU  61  -8.470  -3.439   5.932
  388    HA   GLU  61           HA       GLU  61  -9.933  -3.384   3.413
  389    HB2  GLU  61           HB2      GLU  61 -10.432  -2.104   5.582
  390    HB3  GLU  61           HB3      GLU  61  -9.052  -1.055   5.145
  391    HG2  GLU  61           HG2      GLU  61 -10.105  -0.428   3.078
  392    HG3  GLU  61           HG3      GLU  61 -11.440  -1.562   3.386
  393    H    VAL  62           H        VAL  62  -6.788  -2.162   4.651
  394    HA   VAL  62           HA       VAL  62  -5.978  -0.873   2.266
  395    HB   VAL  62           HB       VAL  62  -4.065  -2.102   4.272
  396   HG11  VAL  62          HG11      VAL  62  -3.174  -0.953   2.234
  397   HG12  VAL  62          HG12      VAL  62  -4.049   0.514   2.704
  398   HG13  VAL  62          HG13      VAL  62  -2.725  -0.107   3.720
  399   HG21  VAL  62          HG21      VAL  62  -5.581  -0.991   5.735
  400   HG22  VAL  62          HG22      VAL  62  -4.171   0.024   5.579
  401   HG23  VAL  62          HG23      VAL  62  -5.664   0.444   4.687
  402    H    GLN  63           H        GLN  63  -5.463  -4.241   3.496
  403    HA   GLN  63           HA       GLN  63  -3.848  -5.205   1.373
  404    HB2  GLN  63           HB2      GLN  63  -4.412  -6.558   3.380
  405    HB3  GLN  63           HB3      GLN  63  -6.082  -6.651   2.865
  406    HG2  GLN  63           HG2      GLN  63  -5.341  -7.804   0.738
  407    HG3  GLN  63           HG3      GLN  63  -3.673  -7.735   1.337
  408   HE21  GLN  63          HE21      GLN  63  -4.326 -10.114   0.651
  409   HE22  GLN  63          HE22      GLN  63  -4.676 -11.136   2.056
  410    H    ALA  64           H        ALA  64  -7.454  -4.798   1.432
  411    HA   ALA  64           HA       ALA  64  -7.643  -5.960  -1.249
  412    HB1  ALA  64           HB1      ALA  64  -9.687  -4.626   0.594
  413    HB2  ALA  64           HB2      ALA  64 -10.060  -5.475  -0.924
  414    HB3  ALA  64           HB3      ALA  64  -9.375  -6.368   0.445
  415    H    LEU  65           H        LEU  65  -7.290  -2.685   0.133
  416    HA   LEU  65           HA       LEU  65  -7.895  -1.268  -2.253
  417    HB2  LEU  65           HB2      LEU  65  -6.244  -0.635   0.161
  418    HB3  LEU  65           HB3      LEU  65  -6.282   0.438  -1.211
  419    HG   LEU  65           HG       LEU  65  -8.809  -0.450   0.245
  420   HD11  LEU  65          HD11      LEU  65  -7.402   0.795   1.792
  421   HD12  LEU  65          HD12      LEU  65  -8.753   1.806   1.273
  422   HD13  LEU  65          HD13      LEU  65  -7.136   2.066   0.574
  423   HD21  LEU  65          HD21      LEU  65  -9.787   1.561  -0.842
  424   HD22  LEU  65          HD22      LEU  65  -9.266   0.361  -2.021
  425   HD23  LEU  65          HD23      LEU  65  -8.269   1.806  -1.733
  426    H    LEU  66           H        LEU  66  -4.873  -2.611  -0.980
  427    HA   LEU  66           HA       LEU  66  -3.170  -1.979  -3.214
  428    HB2  LEU  66           HB2      LEU  66  -3.037  -4.025  -0.959
  429    HB3  LEU  66           HB3      LEU  66  -1.710  -3.742  -2.072
  430    HG   LEU  66           HG       LEU  66  -2.835  -1.394  -0.507
  431   HD11  LEU  66          HD11      LEU  66  -1.182  -1.865   1.276
  432   HD12  LEU  66          HD12      LEU  66  -0.850  -3.450   0.536
  433   HD13  LEU  66          HD13      LEU  66  -2.449  -3.082   1.224
  434   HD21  LEU  66          HD21      LEU  66  -0.043  -2.118  -1.497
  435   HD22  LEU  66          HD22      LEU  66  -0.511  -0.613  -0.685
  436   HD23  LEU  66          HD23      LEU  66  -1.168  -0.988  -2.289
  437    H    GLU  67           H        GLU  67  -4.960  -4.967  -2.349
  438    HA   GLU  67           HA       GLU  67  -4.172  -6.436  -4.719
  439    HB2  GLU  67           HB2      GLU  67  -6.226  -6.786  -2.503
  440    HB3  GLU  67           HB3      GLU  67  -6.278  -7.818  -3.860
  441    HG2  GLU  67           HG2      GLU  67  -3.638  -8.081  -3.336
  442    HG3  GLU  67           HG3      GLU  67  -4.122  -7.542  -1.748
  443    H    GLY  68           H        GLY  68  -6.739  -4.127  -4.185
  444    HA2  GLY  68           HA2      GLY  68  -8.244  -4.721  -6.559
  445    HA3  GLY  68           HA3      GLY  68  -8.216  -3.191  -5.681
  446    H    THR  69           H        THR  69  -5.039  -3.724  -6.423
  447    HA   THR  69           HA       THR  69  -5.116  -1.919  -8.739
  448    HB   THR  69           HB       THR  69  -2.726  -1.651  -8.431
  449    HG1  THR  69           HG1      THR  69  -2.788  -3.397  -6.260
  450   HG21  THR  69          HG21      THR  69  -3.938  -1.627  -5.681
  451   HG22  THR  69          HG22      THR  69  -4.476  -0.548  -6.977
  452   HG23  THR  69          HG23      THR  69  -2.796  -0.516  -6.477
  453    H    GLY  70           H        GLY  70  -5.307  -5.259  -8.499
  454    HA2  GLY  70           HA2      GLY  70  -5.488  -6.651 -10.405
  455    HA3  GLY  70           HA3      GLY  70  -4.368  -5.631 -11.310
  456    H    ARG  71           H        ARG  71  -3.435  -6.498  -8.119
  457    HA   ARG  71           HA       ARG  71  -1.842  -8.853  -8.830
  458    HB2  ARG  71           HB2      ARG  71   0.268  -7.757  -8.024
  459    HB3  ARG  71           HB3      ARG  71  -0.371  -7.086  -9.517
  460    HG2  ARG  71           HG2      ARG  71  -1.433  -5.229  -8.167
  461    HG3  ARG  71           HG3      ARG  71  -0.631  -5.869  -6.733
  462    HD2  ARG  71           HD2      ARG  71   0.623  -4.007  -7.591
  463    HD3  ARG  71           HD3      ARG  71   1.549  -5.474  -7.820
  464    HE   ARG  71           HE       ARG  71   1.445  -5.175 -10.151
  465   HH11  ARG  71          HH11      ARG  71  -1.144  -3.199  -8.790
  466   HH12  ARG  71          HH12      ARG  71  -1.394  -2.415 -10.336
  467   HH21  ARG  71          HH21      ARG  71   1.177  -3.794 -11.987
  468   HH22  ARG  71          HH22      ARG  71  -0.282  -2.827 -12.014
  469    H    GLN  72           H        GLN  72  -0.391  -9.279  -6.669
  470    HA   GLN  72           HA       GLN  72  -2.376  -9.517  -4.489
  471    HB2  GLN  72           HB2      GLN  72  -1.246 -11.527  -5.434
  472    HB3  GLN  72           HB3      GLN  72   0.286 -10.924  -4.794
  473    HG2  GLN  72           HG2      GLN  72  -0.566 -11.064  -2.507
  474    HG3  GLN  72           HG3      GLN  72  -2.177 -11.514  -3.081
  475   HE21  GLN  72          HE21      GLN  72  -0.731 -13.015  -1.184
  476   HE22  GLN  72          HE22      GLN  72  -0.134 -14.490  -1.940
  477    H    ALA  73           H        ALA  73  -1.849  -9.137  -2.395
  478    HA   ALA  73           HA       ALA  73   0.608  -7.642  -1.632
  479    HB1  ALA  73           HB1      ALA  73  -2.178  -7.087  -0.545
  480    HB2  ALA  73           HB2      ALA  73  -0.666  -6.270  -0.097
  481    HB3  ALA  73           HB3      ALA  73  -1.332  -6.071  -1.733
  482    H    VAL  74           H        VAL  74   1.498  -8.297   0.268
  483    HA   VAL  74           HA       VAL  74   0.167 -10.250   2.082
  484    HB   VAL  74           HB       VAL  74   2.932 -10.517   0.882
  485   HG11  VAL  74          HG11      VAL  74   3.193 -12.536   2.343
  486   HG12  VAL  74          HG12      VAL  74   3.109 -11.050   3.287
  487   HG13  VAL  74          HG13      VAL  74   1.688 -12.108   3.179
  488   HG21  VAL  74          HG21      VAL  74   1.102 -11.520  -0.469
  489   HG22  VAL  74          HG22      VAL  74   2.139 -12.773   0.222
  490   HG23  VAL  74          HG23      VAL  74   0.569 -12.423   0.977
  491    H    LEU  75           H        LEU  75   0.060  -9.163   3.848
  492    HA   LEU  75           HA       LEU  75   1.643  -6.902   4.534
  493    HB2  LEU  75           HB2      LEU  75  -0.609  -7.306   5.192
  494    HB3  LEU  75           HB3      LEU  75  -0.144  -8.561   6.281
  495    HG   LEU  75           HG       LEU  75   0.859  -7.018   7.837
  496   HD11  LEU  75          HD11      LEU  75   0.894  -4.459   7.156
  497   HD12  LEU  75          HD12      LEU  75   0.969  -5.053   5.502
  498   HD13  LEU  75          HD13      LEU  75   2.227  -5.453   6.697
  499   HD21  LEU  75          HD21      LEU  75  -1.631  -6.790   7.392
  500   HD22  LEU  75          HD22      LEU  75  -1.148  -5.434   6.313
  501   HD23  LEU  75          HD23      LEU  75  -0.820  -5.340   8.087
  502    H    LYS  76           H        LYS  76   3.303  -6.496   5.770
  503    HA   LYS  76           HA       LYS  76   4.869  -8.759   6.925
  504    HB2  LYS  76           HB2      LYS  76   5.911  -6.143   5.761
  505    HB3  LYS  76           HB3      LYS  76   6.881  -7.413   6.471
  506    HG2  LYS  76           HG2      LYS  76   5.192  -7.675   3.950
  507    HG3  LYS  76           HG3      LYS  76   6.942  -7.485   4.002
  508    HD2  LYS  76           HD2      LYS  76   7.244  -9.664   5.026
  509    HD3  LYS  76           HD3      LYS  76   5.497  -9.834   5.260
  510    HE2  LYS  76           HE2      LYS  76   5.162  -9.717   2.800
  511    HE3  LYS  76           HE3      LYS  76   6.923  -9.742   2.592
  512    HZ1  LYS  76           HZ1      LYS  76   5.951 -11.946   2.382
  513    HZ2  LYS  76           HZ2      LYS  76   5.346 -11.881   3.932
  514    HZ3  LYS  76           HZ3      LYS  76   6.955 -11.905   3.671
  515    H    GLY  77           H        GLY  77   3.673  -5.523   7.663
  516    HA2  GLY  77           HA2      GLY  77   2.742  -6.286  10.065
  517    HA3  GLY  77           HA3      GLY  77   4.380  -5.736  10.477
  518    H    MET  78           H        MET  78   3.050  -4.228  11.777
  519    HA   MET  78           HA       MET  78   2.078  -1.829  10.362
  520    HB2  MET  78           HB2      MET  78   2.399  -2.452  13.325
  521    HB3  MET  78           HB3      MET  78   1.841  -0.935  12.636
  522    HG2  MET  78           HG2      MET  78  -0.243  -1.881  12.869
  523    HG3  MET  78           HG3      MET  78   0.166  -2.557  11.315
  524    HE1  MET  78           HE1      MET  78  -1.091  -4.771  11.118
  525    HE2  MET  78           HE2      MET  78  -1.579  -5.699  12.550
  526    HE3  MET  78           HE3      MET  78  -2.058  -3.993  12.396
  527    H    GLY  79           H        GLY  79   3.352  -0.181   9.872
  528    HA2  GLY  79           HA2      GLY  79   6.184  -0.748   9.862
  529    HA3  GLY  79           HA3      GLY  79   5.470   0.660   9.136
  Start of MODEL   14
    1    H    GLY   9           H        GLY   9 -11.057   4.679  11.737
    2    HA2  GLY   9           HA2      GLY   9  -9.982   3.603  14.249
    3    HA3  GLY   9           HA3      GLY   9  -9.302   3.486  12.625
    4    H    THR  10           H        THR  10  -7.340   4.137  13.273
    5    HA   THR  10           HA       THR  10  -6.804   6.982  13.738
    6    HB   THR  10           HB       THR  10  -7.194   6.068  15.931
    7    HG1  THR  10           HG1      THR  10  -4.845   6.562  16.635
    8   HG21  THR  10          HG21      THR  10  -4.688   4.380  15.570
    9   HG22  THR  10          HG22      THR  10  -6.342   3.734  15.581
   10   HG23  THR  10          HG23      THR  10  -5.698   4.511  17.031
   11    H    LEU  11           H        LEU  11  -4.637   7.618  13.435
   12    HA   LEU  11           HA       LEU  11  -3.617   6.375  11.132
   13    HB2  LEU  11           HB2      LEU  11  -3.151   8.809  12.766
   14    HB3  LEU  11           HB3      LEU  11  -1.784   8.290  11.854
   15    HG   LEU  11           HG       LEU  11  -4.522   8.492  10.577
   16   HD11  LEU  11          HD11      LEU  11  -3.801  10.719  11.615
   17   HD12  LEU  11          HD12      LEU  11  -4.289  10.668   9.921
   18   HD13  LEU  11          HD13      LEU  11  -2.557  10.762  10.335
   19   HD21  LEU  11          HD21      LEU  11  -2.649   7.309   9.348
   20   HD22  LEU  11          HD22      LEU  11  -1.786   8.851   9.303
   21   HD23  LEU  11          HD23      LEU  11  -3.353   8.692   8.485
   22    H    CYS  12           H        CYS  12  -2.127   5.063  10.692
   23    HA   CYS  12           HA       CYS  12   0.102   4.264  12.474
   24    HB2  CYS  12           HB2      CYS  12  -2.240   2.590  11.466
   25    HB3  CYS  12           HB3      CYS  12  -0.694   1.841  11.923
   26    HG   CYS  12           HG       CYS  12  -2.140   4.026  13.891
   27    H    THR  13           H        THR  13   1.746   3.092  11.265
   28    HA   THR  13           HA       THR  13   1.634   3.380   8.282
   29    HB   THR  13           HB       THR  13   4.005   2.615  10.006
   30    HG1  THR  13           HG1      THR  13   4.758   4.703   9.355
   31   HG21  THR  13          HG21      THR  13   3.818   3.394   7.067
   32   HG22  THR  13          HG22      THR  13   4.186   1.764   7.692
   33   HG23  THR  13          HG23      THR  13   5.317   3.088   7.975
   34    H    LEU  14           H        LEU  14   1.099   1.595   7.130
   35    HA   LEU  14           HA       LEU  14   1.633  -1.141   8.276
   36    HB2  LEU  14           HB2      LEU  14  -0.394  -0.047   6.345
   37    HB3  LEU  14           HB3      LEU  14   0.079  -1.739   6.302
   38    HG   LEU  14           HG       LEU  14  -0.902  -2.298   8.297
   39   HD11  LEU  14          HD11      LEU  14  -0.001  -0.661   9.834
   40   HD12  LEU  14          HD12      LEU  14  -1.737  -0.835  10.029
   41   HD13  LEU  14          HD13      LEU  14  -1.091   0.595   9.181
   42   HD21  LEU  14          HD21      LEU  14  -3.178  -1.347   8.240
   43   HD22  LEU  14          HD22      LEU  14  -2.580  -1.603   6.586
   44   HD23  LEU  14          HD23      LEU  14  -2.601   0.030   7.294
   45    H    GLU  15           H        GLU  15   3.124  -2.385   7.411
   46    HA   GLU  15           HA       GLU  15   4.607  -1.526   4.965
   47    HB2  GLU  15           HB2      GLU  15   5.419  -3.276   7.324
   48    HB3  GLU  15           HB3      GLU  15   6.392  -3.009   5.874
   49    HG2  GLU  15           HG2      GLU  15   6.375  -0.576   6.333
   50    HG3  GLU  15           HG3      GLU  15   5.556  -0.881   7.877
   51    H    PHE  16           H        PHE  16   3.488  -2.507   3.301
   52    HA   PHE  16           HA       PHE  16   2.852  -5.443   3.544
   53    HB2  PHE  16           HB2      PHE  16   1.892  -3.329   1.573
   54    HB3  PHE  16           HB3      PHE  16   1.567  -5.049   1.430
   55    HD1  PHE  16           HD2      PHE  16   0.754  -2.066   3.445
   56    HD2  PHE  16           HD1      PHE  16  -0.042  -6.234   2.653
   57    HE1  PHE  16           HE2      PHE  16  -1.440  -1.868   4.588
   58    HE2  PHE  16           HE1      PHE  16  -2.241  -6.026   3.787
   59    HZ   PHE  16           HZ       PHE  16  -2.950  -3.853   4.737
   60    H    ALA  17           H        ALA  17   3.571  -6.949   2.277
   61    HA   ALA  17           HA       ALA  17   5.616  -6.384   0.166
   62    HB1  ALA  17           HB1      ALA  17   5.817  -8.841   0.077
   63    HB2  ALA  17           HB2      ALA  17   6.072  -8.229   1.721
   64    HB3  ALA  17           HB3      ALA  17   4.520  -8.999   1.285
   65    H    VAL  18           H        VAL  18   5.118  -6.490  -2.016
   66    HA   VAL  18           HA       VAL  18   2.406  -7.395  -2.904
   67    HB   VAL  18           HB       VAL  18   2.177  -5.314  -4.229
   68   HG11  VAL  18          HG11      VAL  18   2.348  -4.763  -1.238
   69   HG12  VAL  18          HG12      VAL  18   1.434  -3.838  -2.445
   70   HG13  VAL  18          HG13      VAL  18   0.969  -5.500  -2.083
   71   HG21  VAL  18          HG21      VAL  18   4.532  -4.605  -4.265
   72   HG22  VAL  18          HG22      VAL  18   3.444  -3.361  -3.609
   73   HG23  VAL  18          HG23      VAL  18   4.464  -4.305  -2.517
   74    H    GLN  19           H        GLN  19   2.164  -7.600  -5.256
   75    HA   GLN  19           HA       GLN  19   4.748  -8.516  -6.441
   76    HB2  GLN  19           HB2      GLN  19   1.857  -8.892  -7.296
   77    HB3  GLN  19           HB3      GLN  19   3.253  -9.494  -8.194
   78    HG2  GLN  19           HG2      GLN  19   2.470 -10.283  -5.352
   79    HG3  GLN  19           HG3      GLN  19   2.294 -11.274  -6.798
   80   HE21  GLN  19          HE21      GLN  19   4.079 -11.258  -4.139
   81   HE22  GLN  19          HE22      GLN  19   5.633 -11.763  -4.789
   82    H    MET  20           H        MET  20   5.726  -6.452  -6.750
   83    HA   MET  20           HA       MET  20   5.318  -5.840  -9.570
   84    HB2  MET  20           HB2      MET  20   5.655  -3.370  -9.146
   85    HB3  MET  20           HB3      MET  20   4.046  -4.038  -8.825
   86    HG2  MET  20           HG2      MET  20   4.348  -3.962  -6.475
   87    HG3  MET  20           HG3      MET  20   6.088  -3.688  -6.621
   88    HE1  MET  20           HE1      MET  20   4.885  -0.489  -4.927
   89    HE2  MET  20           HE2      MET  20   3.808  -1.864  -4.918
   90    HE3  MET  20           HE3      MET  20   5.586  -2.161  -4.787
   91    H    THR  21           H        THR  21   7.191  -5.476 -10.651
   92    HA   THR  21           HA       THR  21   9.681  -4.781  -9.192
   93    HB   THR  21           HB       THR  21   9.371  -7.250  -9.232
   94    HG1  THR  21           HG1      THR  21  11.376  -6.282  -8.978
   95   HG21  THR  21          HG21      THR  21   9.893  -8.531 -11.209
   96   HG22  THR  21          HG22      THR  21  10.075  -7.060 -12.182
   97   HG23  THR  21          HG23      THR  21   8.480  -7.519 -11.544
   98    H    CYS  22           H        CYS  22   7.774  -3.833 -11.554
   99    HA   CYS  22           HA       CYS  22   9.990  -2.455 -12.898
  100    HB2  CYS  22           HB2      CYS  22   9.611  -3.264 -14.921
  101    HB3  CYS  22           HB3      CYS  22   8.637  -4.497 -14.141
  102    H    GLN  23           H        GLN  23   9.256  -0.498 -14.085
  103    HA   GLN  23           HA       GLN  23   8.411   1.145 -11.904
  104    HB2  GLN  23           HB2      GLN  23   9.344   1.805 -14.688
  105    HB3  GLN  23           HB3      GLN  23   9.012   3.017 -13.442
  106    HG2  GLN  23           HG2      GLN  23  11.060   0.766 -13.250
  107    HG3  GLN  23           HG3      GLN  23  11.417   2.467 -13.514
  108   HE21  GLN  23          HE21      GLN  23  12.009   0.399 -11.202
  109   HE22  GLN  23          HE22      GLN  23  11.590   1.384  -9.800
  110    H    SER  24           H        SER  24   6.609   0.140 -14.765
  111    HA   SER  24           HA       SER  24   4.560   2.172 -14.582
  112    HB2  SER  24           HB2      SER  24   4.207  -0.665 -15.640
  113    HB3  SER  24           HB3      SER  24   3.348   0.796 -16.146
  114    HG   SER  24           HG       SER  24   4.950   0.127 -17.653
  115    H    CYS  25           H        CYS  25   5.067  -0.700 -12.658
  116    HA   CYS  25           HA       CYS  25   2.287  -0.915 -11.780
  117    HB2  CYS  25           HB2      CYS  25   4.884  -2.122 -10.767
  118    HB3  CYS  25           HB3      CYS  25   3.259  -2.592 -10.290
  119    H    VAL  26           H        VAL  26   5.355   0.344 -10.519
  120    HA   VAL  26           HA       VAL  26   4.800   1.090  -7.924
  121    HB   VAL  26           HB       VAL  26   6.403   2.943  -9.721
  122   HG11  VAL  26          HG11      VAL  26   7.183   1.558  -7.131
  123   HG12  VAL  26          HG12      VAL  26   7.994   2.911  -7.903
  124   HG13  VAL  26          HG13      VAL  26   6.400   3.171  -7.149
  125   HG21  VAL  26          HG21      VAL  26   6.925   0.810 -10.585
  126   HG22  VAL  26          HG22      VAL  26   8.273   1.434  -9.630
  127   HG23  VAL  26          HG23      VAL  26   7.188   0.158  -8.964
  128    H    ASP  27           H        ASP  27   4.502   3.206 -10.803
  129    HA   ASP  27           HA       ASP  27   3.219   5.410  -9.538
  130    HB2  ASP  27           HB2      ASP  27   4.253   5.096 -11.929
  131    HB3  ASP  27           HB3      ASP  27   2.700   4.461 -12.367
  132    H    ALA  28           H        ALA  28   1.935   2.386 -10.952
  133    HA   ALA  28           HA       ALA  28  -0.806   3.342 -11.004
  134    HB1  ALA  28           HB1      ALA  28  -1.382   1.026 -11.456
  135    HB2  ALA  28           HB2      ALA  28   0.025   1.543 -12.449
  136    HB3  ALA  28           HB3      ALA  28   0.255   0.502 -11.022
  137    H    VAL  29           H        VAL  29   0.998   1.193  -8.652
  138    HA   VAL  29           HA       VAL  29  -1.306   0.976  -7.035
  139    HB   VAL  29           HB       VAL  29   1.571   0.454  -6.211
  140   HG11  VAL  29          HG11      VAL  29  -0.232   0.458  -4.426
  141   HG12  VAL  29          HG12      VAL  29  -1.102  -0.768  -5.389
  142   HG13  VAL  29          HG13      VAL  29   0.483  -1.146  -4.669
  143   HG21  VAL  29          HG21      VAL  29   1.203  -1.896  -6.822
  144   HG22  VAL  29          HG22      VAL  29  -0.422  -1.512  -7.445
  145   HG23  VAL  29          HG23      VAL  29   1.011  -0.920  -8.267
  146    H    ARG  30           H        ARG  30   1.567   3.139  -6.931
  147    HA   ARG  30           HA       ARG  30   1.013   4.529  -4.489
  148    HB2  ARG  30           HB2      ARG  30   2.232   5.341  -7.219
  149    HB3  ARG  30           HB3      ARG  30   2.024   6.532  -5.967
  150    HG2  ARG  30           HG2      ARG  30   3.519   5.410  -4.458
  151    HG3  ARG  30           HG3      ARG  30   3.650   4.006  -5.526
  152    HD2  ARG  30           HD2      ARG  30   4.916   5.132  -7.150
  153    HD3  ARG  30           HD3      ARG  30   4.445   6.748  -6.543
  154    HE   ARG  30           HE       ARG  30   6.710   5.158  -5.749
  155   HH11  ARG  30          HH11      ARG  30   4.616   7.649  -4.326
  156   HH12  ARG  30          HH12      ARG  30   5.799   7.950  -3.074
  157   HH21  ARG  30          HH21      ARG  30   7.991   5.549  -4.194
  158   HH22  ARG  30          HH22      ARG  30   7.678   6.732  -2.936
  159    H    LYS  31           H        LYS  31  -0.329   5.016  -7.831
  160    HA   LYS  31           HA       LYS  31  -1.800   7.361  -6.864
  161    HB2  LYS  31           HB2      LYS  31  -1.630   6.136  -9.603
  162    HB3  LYS  31           HB3      LYS  31  -2.562   7.593  -9.151
  163    HG2  LYS  31           HG2      LYS  31  -0.479   8.517  -8.064
  164    HG3  LYS  31           HG3      LYS  31   0.447   7.195  -8.748
  165    HD2  LYS  31           HD2      LYS  31  -0.057   7.977 -11.020
  166    HD3  LYS  31           HD3      LYS  31  -1.157   9.232 -10.363
  167    HE2  LYS  31           HE2      LYS  31   0.741  10.010  -8.904
  168    HE3  LYS  31           HE3      LYS  31   1.810   8.902  -9.767
  169    HZ1  LYS  31           HZ1      LYS  31   0.302  11.154 -11.006
  170    HZ2  LYS  31           HZ2      LYS  31   1.238  10.097 -11.839
  171    HZ3  LYS  31           HZ3      LYS  31   1.910  11.149 -10.736
  172    H    SER  32           H        SER  32  -2.679   3.991  -7.220
  173    HA   SER  32           HA       SER  32  -5.533   4.457  -6.824
  174    HB2  SER  32           HB2      SER  32  -4.600   2.220  -7.474
  175    HB3  SER  32           HB3      SER  32  -3.957   2.080  -5.821
  176    HG   SER  32           HG       SER  32  -6.264   1.294  -6.321
  177    H    LEU  33           H        LEU  33  -2.702   4.101  -4.661
  178    HA   LEU  33           HA       LEU  33  -4.136   4.281  -2.170
  179    HB2  LEU  33           HB2      LEU  33  -1.235   4.900  -2.924
  180    HB3  LEU  33           HB3      LEU  33  -1.847   4.781  -1.291
  181    HG   LEU  33           HG       LEU  33  -2.130   2.378  -3.119
  182   HD11  LEU  33          HD11      LEU  33   0.049   1.544  -2.268
  183   HD12  LEU  33          HD12      LEU  33   0.378   3.116  -1.515
  184   HD13  LEU  33          HD13      LEU  33   0.280   2.966  -3.277
  185   HD21  LEU  33          HD21      LEU  33  -1.896   1.236  -0.994
  186   HD22  LEU  33          HD22      LEU  33  -3.175   2.470  -0.875
  187   HD23  LEU  33          HD23      LEU  33  -1.554   2.786  -0.189
  188    H    GLN  34           H        GLN  34  -2.503   6.829  -4.157
  189    HA   GLN  34           HA       GLN  34  -2.593   8.756  -2.087
  190    HB2  GLN  34           HB2      GLN  34  -0.870   8.727  -3.682
  191    HB3  GLN  34           HB3      GLN  34  -1.997   8.756  -5.039
  192    HG2  GLN  34           HG2      GLN  34  -2.517  11.007  -4.744
  193    HG3  GLN  34           HG3      GLN  34  -1.798  11.085  -3.115
  194   HE21  GLN  34          HE21      GLN  34  -0.752  10.193  -6.485
  195   HE22  GLN  34          HE22      GLN  34   0.909  10.734  -6.236
  196    H    GLY  35           H        GLY  35  -3.963  10.326  -1.624
  197    HA2  GLY  35           HA2      GLY  35  -5.830  11.674  -1.620
  198    HA3  GLY  35           HA3      GLY  35  -6.087  11.300  -3.325
  199    H    VAL  36           H        VAL  36  -6.083   8.385  -1.380
  200    HA   VAL  36           HA       VAL  36  -8.956   8.113  -1.658
  201    HB   VAL  36           HB       VAL  36  -7.136   6.302  -1.930
  202   HG11  VAL  36          HG11      VAL  36  -6.312   6.534   0.274
  203   HG12  VAL  36          HG12      VAL  36  -7.868   5.969   0.937
  204   HG13  VAL  36          HG13      VAL  36  -6.865   4.878  -0.066
  205   HG21  VAL  36          HG21      VAL  36  -9.828   5.749  -0.605
  206   HG22  VAL  36          HG22      VAL  36  -9.561   5.979  -2.345
  207   HG23  VAL  36          HG23      VAL  36  -8.849   4.583  -1.524
  208    H    ALA  37           H        ALA  37 -10.380   7.949  -0.101
  209    HA   ALA  37           HA       ALA  37 -10.172   9.490   2.298
  210    HB1  ALA  37           HB1      ALA  37 -12.315   9.021   1.201
  211    HB2  ALA  37           HB2      ALA  37 -12.145   7.285   1.549
  212    HB3  ALA  37           HB3      ALA  37 -12.343   8.447   2.878
  213    H    GLY  38           H        GLY  38  -8.867   9.051   3.949
  214    HA2  GLY  38           HA2      GLY  38  -8.564   7.854   6.011
  215    HA3  GLY  38           HA3      GLY  38  -8.818   6.329   5.167
  216    H    VAL  39           H        VAL  39  -6.828   7.498   2.908
  217    HA   VAL  39           HA       VAL  39  -4.283   6.942   4.343
  218    HB   VAL  39           HB       VAL  39  -4.976   7.647   1.501
  219   HG11  VAL  39          HG11      VAL  39  -2.195   7.109   2.650
  220   HG12  VAL  39          HG12      VAL  39  -2.600   7.123   0.920
  221   HG13  VAL  39          HG13      VAL  39  -2.756   8.603   1.849
  222   HG21  VAL  39          HG21      VAL  39  -3.755   5.133   2.775
  223   HG22  VAL  39          HG22      VAL  39  -5.447   5.285   2.279
  224   HG23  VAL  39          HG23      VAL  39  -4.167   5.330   1.058
  225    H    GLN  40           H        GLN  40  -2.766   8.422   4.867
  226    HA   GLN  40           HA       GLN  40  -3.273  11.320   4.357
  227    HB2  GLN  40           HB2      GLN  40  -2.058   9.764   6.651
  228    HB3  GLN  40           HB3      GLN  40  -1.579  11.426   6.393
  229    HG2  GLN  40           HG2      GLN  40  -4.512  10.615   6.588
  230    HG3  GLN  40           HG3      GLN  40  -3.504  11.047   7.965
  231   HE21  GLN  40          HE21      GLN  40  -2.788  13.203   8.282
  232   HE22  GLN  40          HE22      GLN  40  -3.360  14.513   7.280
  233    H    ASP  41           H        ASP  41  -0.779   8.742   4.276
  234    HA   ASP  41           HA       ASP  41   0.536  10.071   2.046
  235    HB2  ASP  41           HB2      ASP  41   1.727  10.063   4.791
  236    HB3  ASP  41           HB3      ASP  41   2.808   9.617   3.531
  237    H    VAL  42           H        VAL  42   2.392   8.860   1.349
  238    HA   VAL  42           HA       VAL  42   2.501   5.961   1.948
  239    HB   VAL  42           HB       VAL  42   2.504   5.444  -0.508
  240   HG11  VAL  42          HG11      VAL  42   0.137   5.294  -0.724
  241   HG12  VAL  42          HG12      VAL  42   0.587   4.942   0.949
  242   HG13  VAL  42          HG13      VAL  42  -0.136   6.516   0.533
  243   HG21  VAL  42          HG21      VAL  42   1.370   6.894  -2.112
  244   HG22  VAL  42          HG22      VAL  42   1.154   8.151  -0.888
  245   HG23  VAL  42          HG23      VAL  42   2.780   7.734  -1.462
  246    H    GLU  43           H        GLU  43   4.460   4.952   1.390
  247    HA   GLU  43           HA       GLU  43   6.281   6.348  -0.436
  248    HB2  GLU  43           HB2      GLU  43   7.047   6.770   1.872
  249    HB3  GLU  43           HB3      GLU  43   7.067   5.029   2.176
  250    HG2  GLU  43           HG2      GLU  43   9.175   5.778   1.701
  251    HG3  GLU  43           HG3      GLU  43   8.739   4.723   0.374
  252    H    VAL  44           H        VAL  44   7.264   4.875  -1.856
  253    HA   VAL  44           HA       VAL  44   6.544   1.990  -1.523
  254    HB   VAL  44           HB       VAL  44   6.172   3.678  -3.984
  255   HG11  VAL  44          HG11      VAL  44   5.855   1.586  -5.265
  256   HG12  VAL  44          HG12      VAL  44   7.554   1.835  -4.825
  257   HG13  VAL  44          HG13      VAL  44   6.573   0.653  -3.926
  258   HG21  VAL  44          HG21      VAL  44   4.067   2.443  -4.051
  259   HG22  VAL  44          HG22      VAL  44   4.632   1.410  -2.742
  260   HG23  VAL  44          HG23      VAL  44   4.286   3.136  -2.430
  261    H    HIS  45           H        HIS  45   8.004   0.547  -1.821
  262    HA   HIS  45           HA       HIS  45  10.697   1.385  -2.814
  263    HB2  HIS  45           HB2      HIS  45   9.945  -0.521  -0.564
  264    HB3  HIS  45           HB3      HIS  45  11.551  -0.423  -1.284
  265    HD1  HIS  45           HD1      HIS  45  13.210   1.103  -0.167
  266    HD2  HIS  45           HD2      HIS  45   9.190   2.001   0.725
  267    HE1  HIS  45           HE1      HIS  45  13.258   2.962   1.584
  268    H    LEU  46           H        LEU  46  10.209   0.775  -4.912
  269    HA   LEU  46           HA       LEU  46   9.078  -1.724  -5.702
  270    HB2  LEU  46           HB2      LEU  46   9.377   0.436  -6.964
  271    HB3  LEU  46           HB3      LEU  46  11.068   0.103  -7.148
  272    HG   LEU  46           HG       LEU  46   9.494  -0.340  -9.108
  273   HD11  LEU  46          HD11      LEU  46  10.768  -2.067 -10.011
  274   HD12  LEU  46          HD12      LEU  46  11.279  -2.655  -8.416
  275   HD13  LEU  46          HD13      LEU  46  11.828  -1.070  -9.008
  276   HD21  LEU  46          HD21      LEU  46   8.332  -2.414  -9.289
  277   HD22  LEU  46          HD22      LEU  46   7.786  -1.668  -7.780
  278   HD23  LEU  46          HD23      LEU  46   8.959  -2.992  -7.729
  279    H    GLU  47           H        GLU  47  12.385  -0.748  -4.951
  280    HA   GLU  47           HA       GLU  47  13.575  -3.238  -5.943
  281    HB2  GLU  47           HB2      GLU  47  14.817  -1.095  -4.185
  282    HB3  GLU  47           HB3      GLU  47  15.656  -2.491  -4.867
  283    HG2  GLU  47           HG2      GLU  47  14.964  -1.729  -7.172
  284    HG3  GLU  47           HG3      GLU  47  14.315  -0.258  -6.450
  285    H    ASP  48           H        ASP  48  12.007  -2.480  -2.894
  286    HA   ASP  48           HA       ASP  48  12.881  -5.067  -1.786
  287    HB2  ASP  48           HB2      ASP  48  11.535  -2.537  -0.775
  288    HB3  ASP  48           HB3      ASP  48  11.285  -3.996   0.054
  289    H    GLN  49           H        GLN  49  10.498  -3.949  -3.883
  290    HA   GLN  49           HA       GLN  49   8.295  -4.298  -4.322
  291    HB2  GLN  49           HB2      GLN  49   8.574  -7.107  -3.205
  292    HB3  GLN  49           HB3      GLN  49   7.507  -6.496  -4.460
  293    HG2  GLN  49           HG2      GLN  49   8.963  -7.495  -5.845
  294    HG3  GLN  49           HG3      GLN  49   9.775  -5.949  -5.732
  295   HE21  GLN  49          HE21      GLN  49  11.773  -6.953  -6.311
  296   HE22  GLN  49          HE22      GLN  49  12.580  -8.128  -5.273
  297    H    MET  50           H        MET  50   8.781  -2.973  -1.966
  298    HA   MET  50           HA       MET  50   6.663  -3.947  -0.115
  299    HB2  MET  50           HB2      MET  50   8.920  -4.225   0.775
  300    HB3  MET  50           HB3      MET  50   9.241  -2.502   0.570
  301    HG2  MET  50           HG2      MET  50   7.966  -1.884   2.372
  302    HG3  MET  50           HG3      MET  50   6.812  -3.193   2.183
  303    HE1  MET  50           HE1      MET  50   8.379  -6.231   3.902
  304    HE2  MET  50           HE2      MET  50   6.894  -5.508   3.235
  305    HE3  MET  50           HE3      MET  50   8.292  -5.825   2.176
  306    H    VAL  51           H        VAL  51   5.305  -2.445   0.884
  307    HA   VAL  51           HA       VAL  51   5.430   0.365  -0.096
  308    HB   VAL  51           HB       VAL  51   2.816  -1.172   0.183
  309   HG11  VAL  51          HG11      VAL  51   2.328   1.105   0.140
  310   HG12  VAL  51          HG12      VAL  51   3.762   1.498  -0.812
  311   HG13  VAL  51          HG13      VAL  51   2.362   0.766  -1.617
  312   HG21  VAL  51          HG21      VAL  51   4.494  -0.841  -2.332
  313   HG22  VAL  51          HG22      VAL  51   4.004  -2.350  -1.535
  314   HG23  VAL  51          HG23      VAL  51   2.780  -1.339  -2.297
  315    H    LEU  52           H        LEU  52   5.050   1.906   1.318
  316    HA   LEU  52           HA       LEU  52   4.081   1.261   4.059
  317    HB2  LEU  52           HB2      LEU  52   5.687   3.630   3.037
  318    HB3  LEU  52           HB3      LEU  52   4.970   3.514   4.625
  319    HG   LEU  52           HG       LEU  52   6.423   1.292   4.830
  320   HD11  LEU  52          HD11      LEU  52   7.956   2.784   2.663
  321   HD12  LEU  52          HD12      LEU  52   7.267   1.149   2.529
  322   HD13  LEU  52          HD13      LEU  52   8.596   1.453   3.647
  323   HD21  LEU  52          HD21      LEU  52   8.294   2.596   5.721
  324   HD22  LEU  52          HD22      LEU  52   6.774   3.389   6.140
  325   HD23  LEU  52          HD23      LEU  52   7.765   4.033   4.818
  326    H    VAL  53           H        VAL  53   2.265   2.066   4.685
  327    HA   VAL  53           HA       VAL  53   0.849   4.184   3.149
  328    HB   VAL  53           HB       VAL  53  -0.461   1.627   4.151
  329   HG11  VAL  53          HG11      VAL  53  -2.405   2.483   2.852
  330   HG12  VAL  53          HG12      VAL  53  -1.925   3.645   4.093
  331   HG13  VAL  53          HG13      VAL  53  -1.473   3.928   2.401
  332   HG21  VAL  53          HG21      VAL  53  -0.817   1.094   1.730
  333   HG22  VAL  53          HG22      VAL  53   0.315   2.405   1.314
  334   HG23  VAL  53          HG23      VAL  53   0.869   0.991   2.236
  335    H    HIS  54           H        HIS  54   0.824   5.781   4.537
  336    HA   HIS  54           HA       HIS  54   0.398   5.424   7.435
  337    HB2  HIS  54           HB2      HIS  54   0.658   7.976   5.804
  338    HB3  HIS  54           HB3      HIS  54   0.701   7.843   7.541
  339    HD1  HIS  54           HD1      HIS  54   3.078   7.424   8.629
  340    HD2  HIS  54           HD2      HIS  54   2.840   6.532   4.516
  341    HE1  HIS  54           HE1      HIS  54   5.454   6.964   7.842
  342    H    THR  55           H        THR  55  -1.681   4.890   7.975
  343    HA   THR  55           HA       THR  55  -3.972   6.432   6.861
  344    HB   THR  55           HB       THR  55  -3.580   4.721   5.226
  345    HG1  THR  55           HG1      THR  55  -5.709   5.258   5.849
  346   HG21  THR  55          HG21      THR  55  -4.038   2.614   7.384
  347   HG22  THR  55          HG22      THR  55  -2.460   2.968   6.645
  348   HG23  THR  55          HG23      THR  55  -3.782   2.356   5.644
  349    H    THR  56           H        THR  56  -5.968   6.167   7.956
  350    HA   THR  56           HA       THR  56  -5.873   5.074  10.686
  351    HB   THR  56           HB       THR  56  -8.174   5.817  10.915
  352    HG1  THR  56           HG1      THR  56  -8.872   7.130   8.930
  353   HG21  THR  56          HG21      THR  56  -6.571   7.980   9.518
  354   HG22  THR  56          HG22      THR  56  -6.378   7.470  11.215
  355   HG23  THR  56          HG23      THR  56  -7.900   8.189  10.686
  356    H    LEU  57           H        LEU  57  -6.617   3.748   7.623
  357    HA   LEU  57           HA       LEU  57  -8.918   2.203   8.294
  358    HB2  LEU  57           HB2      LEU  57  -6.877   1.907   6.056
  359    HB3  LEU  57           HB3      LEU  57  -8.432   1.092   6.083
  360    HG   LEU  57           HG       LEU  57  -7.980   4.106   5.888
  361   HD11  LEU  57          HD11      LEU  57  -8.913   3.834   3.645
  362   HD12  LEU  57          HD12      LEU  57  -9.121   2.090   3.913
  363   HD13  LEU  57          HD13      LEU  57  -7.489   2.801   3.842
  364   HD21  LEU  57          HD21      LEU  57 -10.425   4.230   5.467
  365   HD22  LEU  57          HD22      LEU  57 -10.025   3.788   7.127
  366   HD23  LEU  57          HD23      LEU  57 -10.567   2.527   5.998
  367    HA   PRO  58           HA       PRO  58  -7.153  -1.476  10.102
  368    HB2  PRO  58           HB2      PRO  58  -9.133  -3.167   8.659
  369    HB3  PRO  58           HB3      PRO  58  -8.965  -2.892  10.410
  370    HG2  PRO  58           HG2      PRO  58 -11.070  -1.857   9.007
  371    HG3  PRO  58           HG3      PRO  58 -10.276  -0.888  10.303
  372    HD2  PRO  58           HD2      PRO  58  -9.620  -0.914   7.351
  373    HD3  PRO  58           HD3      PRO  58 -10.142   0.483   8.238
  374    H    SER  59           H        SER  59  -5.547  -3.118   9.423
  375    HA   SER  59           HA       SER  59  -4.592  -2.759   6.781
  376    HB2  SER  59           HB2      SER  59  -3.671  -5.286   7.750
  377    HB3  SER  59           HB3      SER  59  -2.788  -3.775   7.502
  378    HG   SER  59           HG       SER  59  -3.188  -4.963   9.702
  379    H    GLN  60           H        GLN  60  -6.965  -5.053   7.928
  380    HA   GLN  60           HA       GLN  60  -7.053  -6.829   5.690
  381    HB2  GLN  60           HB2      GLN  60  -9.460  -5.864   7.265
  382    HB3  GLN  60           HB3      GLN  60  -9.238  -7.391   6.426
  383    HG2  GLN  60           HG2      GLN  60  -8.927  -8.158   8.533
  384    HG3  GLN  60           HG3      GLN  60  -7.268  -7.651   8.313
  385   HE21  GLN  60          HE21      GLN  60  -9.787  -7.446  10.511
  386   HE22  GLN  60          HE22      GLN  60  -9.138  -6.004  11.293
  387    H    GLU  61           H        GLU  61  -8.245  -3.507   6.095
  388    HA   GLU  61           HA       GLU  61  -9.823  -3.488   3.621
  389    HB2  GLU  61           HB2      GLU  61 -10.326  -2.277   5.802
  390    HB3  GLU  61           HB3      GLU  61  -8.986  -1.173   5.378
  391    HG2  GLU  61           HG2      GLU  61 -10.083  -0.464   3.393
  392    HG3  GLU  61           HG3      GLU  61 -11.355  -1.690   3.604
  393    H    VAL  62           H        VAL  62  -6.652  -2.139   4.767
  394    HA   VAL  62           HA       VAL  62  -6.044  -0.892   2.285
  395    HB   VAL  62           HB       VAL  62  -3.993  -1.960   4.259
  396   HG11  VAL  62          HG11      VAL  62  -4.105   0.541   2.530
  397   HG12  VAL  62          HG12      VAL  62  -2.748   0.055   3.575
  398   HG13  VAL  62          HG13      VAL  62  -3.169  -0.920   2.160
  399   HG21  VAL  62          HG21      VAL  62  -5.599   0.595   4.571
  400   HG22  VAL  62          HG22      VAL  62  -5.574  -0.799   5.677
  401   HG23  VAL  62          HG23      VAL  62  -4.131   0.157   5.491
  402    H    GLN  63           H        GLN  63  -5.366  -4.196   3.540
  403    HA   GLN  63           HA       GLN  63  -3.978  -5.225   1.243
  404    HB2  GLN  63           HB2      GLN  63  -4.299  -6.464   3.387
  405    HB3  GLN  63           HB3      GLN  63  -6.013  -6.612   3.035
  406    HG2  GLN  63           HG2      GLN  63  -5.479  -7.808   0.916
  407    HG3  GLN  63           HG3      GLN  63  -3.735  -7.686   1.293
  408   HE21  GLN  63          HE21      GLN  63  -5.789 -10.015   1.044
  409   HE22  GLN  63          HE22      GLN  63  -5.567 -10.897   2.571
  410    H    ALA  64           H        ALA  64  -7.539  -4.685   1.765
  411    HA   ALA  64           HA       ALA  64  -8.120  -6.031  -0.730
  412    HB1  ALA  64           HB1      ALA  64  -9.833  -4.220   1.071
  413    HB2  ALA  64           HB2      ALA  64 -10.448  -5.257  -0.224
  414    HB3  ALA  64           HB3      ALA  64  -9.700  -5.983   1.210
  415    H    LEU  65           H        LEU  65  -7.426  -2.723   0.279
  416    HA   LEU  65           HA       LEU  65  -8.196  -1.419  -2.134
  417    HB2  LEU  65           HB2      LEU  65  -6.434  -0.672   0.171
  418    HB3  LEU  65           HB3      LEU  65  -6.612   0.371  -1.216
  419    HG   LEU  65           HG       LEU  65  -9.013  -0.619   0.392
  420   HD11  LEU  65          HD11      LEU  65  -7.428   1.962   0.666
  421   HD12  LEU  65          HD12      LEU  65  -7.579   0.660   1.879
  422   HD13  LEU  65          HD13      LEU  65  -8.993   1.617   1.445
  423   HD21  LEU  65          HD21      LEU  65 -10.125   1.361  -0.609
  424   HD22  LEU  65          HD22      LEU  65  -9.620   0.202  -1.828
  425   HD23  LEU  65          HD23      LEU  65  -8.668   1.684  -1.578
  426    H    LEU  66           H        LEU  66  -5.098  -2.637  -0.931
  427    HA   LEU  66           HA       LEU  66  -3.476  -2.120  -3.240
  428    HB2  LEU  66           HB2      LEU  66  -3.294  -4.116  -0.947
  429    HB3  LEU  66           HB3      LEU  66  -2.015  -3.904  -2.132
  430    HG   LEU  66           HG       LEU  66  -2.990  -1.496  -0.559
  431   HD11  LEU  66          HD11      LEU  66  -0.939  -3.544   0.382
  432   HD12  LEU  66          HD12      LEU  66  -2.495  -3.173   1.165
  433   HD13  LEU  66          HD13      LEU  66  -1.234  -1.951   1.116
  434   HD21  LEU  66          HD21      LEU  66  -1.465  -1.114  -2.450
  435   HD22  LEU  66          HD22      LEU  66  -0.307  -2.282  -1.769
  436   HD23  LEU  66          HD23      LEU  66  -0.655  -0.773  -0.910
  437    H    GLU  67           H        GLU  67  -5.207  -5.100  -2.219
  438    HA   GLU  67           HA       GLU  67  -4.862  -6.706  -4.550
  439    HB2  GLU  67           HB2      GLU  67  -7.033  -6.409  -2.451
  440    HB3  GLU  67           HB3      GLU  67  -7.228  -7.548  -3.728
  441    HG2  GLU  67           HG2      GLU  67  -4.990  -8.590  -3.058
  442    HG3  GLU  67           HG3      GLU  67  -4.960  -7.549  -1.680
  443    H    GLY  68           H        GLY  68  -7.107  -4.047  -3.858
  444    HA2  GLY  68           HA2      GLY  68  -8.664  -4.081  -6.240
  445    HA3  GLY  68           HA3      GLY  68  -8.394  -2.712  -5.157
  446    H    THR  69           H        THR  69  -5.314  -3.503  -6.104
  447    HA   THR  69           HA       THR  69  -5.369  -1.768  -8.538
  448    HB   THR  69           HB       THR  69  -2.985  -1.497  -8.339
  449    HG1  THR  69           HG1      THR  69  -3.138  -3.170  -6.073
  450   HG21  THR  69          HG21      THR  69  -2.946  -0.133  -6.439
  451   HG22  THR  69          HG22      THR  69  -4.265  -1.027  -5.644
  452   HG23  THR  69          HG23      THR  69  -4.561  -0.060  -7.114
  453    H    GLY  70           H        GLY  70  -5.871  -4.950  -8.066
  454    HA2  GLY  70           HA2      GLY  70  -6.166  -6.490  -9.770
  455    HA3  GLY  70           HA3      GLY  70  -5.174  -5.516 -10.853
  456    H    ARG  71           H        ARG  71  -3.788  -6.405  -7.791
  457    HA   ARG  71           HA       ARG  71  -2.209  -8.685  -8.827
  458    HB2  ARG  71           HB2      ARG  71  -0.085  -7.573  -8.152
  459    HB3  ARG  71           HB3      ARG  71  -0.883  -6.759  -9.486
  460    HG2  ARG  71           HG2      ARG  71  -1.737  -5.019  -7.976
  461    HG3  ARG  71           HG3      ARG  71  -1.117  -5.870  -6.567
  462    HD2  ARG  71           HD2      ARG  71   0.287  -3.949  -7.188
  463    HD3  ARG  71           HD3      ARG  71   1.163  -5.478  -7.230
  464    HE   ARG  71           HE       ARG  71   1.571  -5.190  -9.480
  465   HH11  ARG  71          HH11      ARG  71  -1.243  -3.174  -8.846
  466   HH12  ARG  71          HH12      ARG  71  -1.197  -2.518 -10.465
  467   HH21  ARG  71          HH21      ARG  71   1.605  -4.245 -11.422
  468   HH22  ARG  71          HH22      ARG  71   0.330  -3.155 -11.899
  469    H    GLN  72           H        GLN  72  -0.604  -9.315  -6.952
  470    HA   GLN  72           HA       GLN  72  -2.250  -9.617  -4.537
  471    HB2  GLN  72           HB2      GLN  72   0.053 -11.124  -5.693
  472    HB3  GLN  72           HB3      GLN  72  -0.087 -11.128  -3.945
  473    HG2  GLN  72           HG2      GLN  72  -2.303 -11.970  -5.859
  474    HG3  GLN  72           HG3      GLN  72  -1.262 -13.056  -4.937
  475   HE21  GLN  72          HE21      GLN  72  -1.404 -12.928  -2.501
  476   HE22  GLN  72          HE22      GLN  72  -2.834 -12.198  -1.757
  477    H    ALA  73           H        ALA  73  -1.598  -9.481  -2.538
  478    HA   ALA  73           HA       ALA  73   0.441  -7.551  -1.579
  479    HB1  ALA  73           HB1      ALA  73  -2.563  -7.053  -1.372
  480    HB2  ALA  73           HB2      ALA  73  -1.275  -6.073  -0.640
  481    HB3  ALA  73           HB3      ALA  73  -1.438  -6.153  -2.410
  482    H    VAL  74           H        VAL  74   1.153  -8.239   0.328
  483    HA   VAL  74           HA       VAL  74  -0.531  -9.810   2.229
  484    HB   VAL  74           HB       VAL  74   2.212 -10.594   1.144
  485   HG11  VAL  74          HG11      VAL  74   0.625 -11.820   3.447
  486   HG12  VAL  74          HG12      VAL  74   2.051 -12.551   2.683
  487   HG13  VAL  74          HG13      VAL  74   2.220 -11.032   3.557
  488   HG21  VAL  74          HG21      VAL  74   0.364 -11.318  -0.294
  489   HG22  VAL  74          HG22      VAL  74   1.049 -12.702   0.547
  490   HG23  VAL  74          HG23      VAL  74  -0.488 -12.000   1.114
  491    H    LEU  75           H        LEU  75  -0.289  -9.028   4.262
  492    HA   LEU  75           HA       LEU  75   1.570  -6.847   4.680
  493    HB2  LEU  75           HB2      LEU  75  -0.723  -6.905   5.405
  494    HB3  LEU  75           HB3      LEU  75  -0.358  -8.127   6.567
  495    HG   LEU  75           HG       LEU  75   0.877  -6.617   7.978
  496   HD11  LEU  75          HD11      LEU  75   2.397  -5.352   6.694
  497   HD12  LEU  75          HD12      LEU  75   1.223  -4.138   7.078
  498   HD13  LEU  75          HD13      LEU  75   1.169  -4.892   5.484
  499   HD21  LEU  75          HD21      LEU  75  -0.580  -4.690   8.117
  500   HD22  LEU  75          HD22      LEU  75  -1.552  -6.114   7.606
  501   HD23  LEU  75          HD23      LEU  75  -0.988  -4.930   6.374
  502    H    LYS  76           H        LYS  76   3.252  -6.637   5.873
  503    HA   LYS  76           HA       LYS  76   4.569  -9.047   7.051
  504    HB2  LYS  76           HB2      LYS  76   5.819  -6.567   5.815
  505    HB3  LYS  76           HB3      LYS  76   6.705  -7.849   6.594
  506    HG2  LYS  76           HG2      LYS  76   4.991  -8.189   4.089
  507    HG3  LYS  76           HG3      LYS  76   6.752  -8.044   4.143
  508    HD2  LYS  76           HD2      LYS  76   6.820 -10.123   5.569
  509    HD3  LYS  76           HD3      LYS  76   5.069 -10.306   5.272
  510    HE2  LYS  76           HE2      LYS  76   5.420 -10.524   2.894
  511    HE3  LYS  76           HE3      LYS  76   7.133 -10.119   3.047
  512    HZ1  LYS  76           HZ1      LYS  76   7.513 -12.178   4.198
  513    HZ2  LYS  76           HZ2      LYS  76   6.655 -12.511   2.813
  514    HZ3  LYS  76           HZ3      LYS  76   5.921 -12.528   4.290
  515    H    GLY  77           H        GLY  77   3.781  -5.673   7.763
  516    HA2  GLY  77           HA2      GLY  77   2.775  -6.157  10.188
  517    HA3  GLY  77           HA3      GLY  77   4.494  -5.949  10.589
  518    H    MET  78           H        MET  78   3.821  -4.132  11.837
  519    HA   MET  78           HA       MET  78   2.819  -1.760  10.392
  520    HB2  MET  78           HB2      MET  78   2.789  -2.546  13.325
  521    HB3  MET  78           HB3      MET  78   2.277  -0.990  12.681
  522    HG2  MET  78           HG2      MET  78   0.253  -2.155  12.769
  523    HG3  MET  78           HG3      MET  78   0.737  -2.316  11.093
  524    HE1  MET  78           HE1      MET  78  -1.076  -5.658  11.473
  525    HE2  MET  78           HE2      MET  78  -1.547  -4.074  12.131
  526    HE3  MET  78           HE3      MET  78  -0.820  -4.180  10.510
  527    H    GLY  79           H        GLY  79   4.051  -0.115   9.975
  528    HA2  GLY  79           HA2      GLY  79   6.904  -0.071  10.644
  529    HA3  GLY  79           HA3      GLY  79   6.040   1.046   9.602
  Start of MODEL   15
    1    H    GLY   9           H        GLY   9  -9.868   4.331  11.903
    2    HA2  GLY   9           HA2      GLY   9  -9.366   3.529  14.733
    3    HA3  GLY   9           HA3      GLY   9  -8.343   3.173  13.341
    4    H    THR  10           H        THR  10  -6.528   4.094  14.154
    5    HA   THR  10           HA       THR  10  -6.351   7.022  14.013
    6    HB   THR  10           HB       THR  10  -6.619   6.467  16.369
    7    HG1  THR  10           HG1      THR  10  -4.728   7.705  16.940
    8   HG21  THR  10          HG21      THR  10  -3.844   5.218  16.149
    9   HG22  THR  10          HG22      THR  10  -5.347   4.328  16.484
   10   HG23  THR  10          HG23      THR  10  -4.756   5.524  17.644
   11    H    LEU  11           H        LEU  11  -3.873   7.636  14.046
   12    HA   LEU  11           HA       LEU  11  -3.129   6.457  11.571
   13    HB2  LEU  11           HB2      LEU  11  -2.602   8.912  13.164
   14    HB3  LEU  11           HB3      LEU  11  -1.296   8.442  12.130
   15    HG   LEU  11           HG       LEU  11  -4.143   8.509  11.118
   16   HD11  LEU  11          HD11      LEU  11  -2.300  10.869  10.805
   17   HD12  LEU  11          HD12      LEU  11  -3.542  10.744  12.078
   18   HD13  LEU  11          HD13      LEU  11  -4.034  10.690  10.386
   19   HD21  LEU  11          HD21      LEU  11  -3.179   8.666   8.927
   20   HD22  LEU  11          HD22      LEU  11  -2.324   7.366   9.758
   21   HD23  LEU  11          HD23      LEU  11  -1.552   8.945   9.595
   22    H    CYS  12           H        CYS  12  -1.645   5.179  10.984
   23    HA   CYS  12           HA       CYS  12   0.942   5.027  12.295
   24    HB2  CYS  12           HB2      CYS  12  -0.701   3.263  13.356
   25    HB3  CYS  12           HB3      CYS  12  -0.498   2.420  11.804
   26    HG   CYS  12           HG       CYS  12   1.858   3.431  13.939
   27    H    THR  13           H        THR  13   2.421   3.808  10.968
   28    HA   THR  13           HA       THR  13   1.873   3.688   8.028
   29    HB   THR  13           HB       THR  13   4.288   2.731   9.574
   30    HG1  THR  13           HG1      THR  13   4.066   5.166   8.187
   31   HG21  THR  13          HG21      THR  13   3.906   3.331   6.614
   32   HG22  THR  13          HG22      THR  13   4.201   1.736   7.351
   33   HG23  THR  13          HG23      THR  13   5.466   2.971   7.389
   34    H    LEU  14           H        LEU  14   1.166   1.791   7.108
   35    HA   LEU  14           HA       LEU  14   2.020  -0.753   8.448
   36    HB2  LEU  14           HB2      LEU  14  -0.418  -0.223   6.816
   37    HB3  LEU  14           HB3      LEU  14   0.231  -1.842   7.028
   38    HG   LEU  14           HG       LEU  14   0.049  -0.349   9.611
   39   HD11  LEU  14          HD11      LEU  14  -2.370  -0.546   9.713
   40   HD12  LEU  14          HD12      LEU  14  -2.369  -1.066   7.991
   41   HD13  LEU  14          HD13      LEU  14  -1.799   0.574   8.450
   42   HD21  LEU  14          HD21      LEU  14  -1.013  -2.404  10.392
   43   HD22  LEU  14          HD22      LEU  14   0.486  -2.790   9.540
   44   HD23  LEU  14          HD23      LEU  14  -1.090  -3.041   8.749
   45    H    GLU  15           H        GLU  15   2.756  -2.318   7.242
   46    HA   GLU  15           HA       GLU  15   4.217  -1.528   4.729
   47    HB2  GLU  15           HB2      GLU  15   5.205  -3.350   6.965
   48    HB3  GLU  15           HB3      GLU  15   6.059  -2.938   5.476
   49    HG2  GLU  15           HG2      GLU  15   5.885  -0.495   6.226
   50    HG3  GLU  15           HG3      GLU  15   5.391  -1.111   7.800
   51    H    PHE  16           H        PHE  16   3.386  -2.586   3.019
   52    HA   PHE  16           HA       PHE  16   2.571  -5.458   3.325
   53    HB2  PHE  16           HB2      PHE  16   1.640  -3.339   1.370
   54    HB3  PHE  16           HB3      PHE  16   1.253  -5.044   1.239
   55    HD1  PHE  16           HD2      PHE  16   0.877  -2.086   3.506
   56    HD2  PHE  16           HD1      PHE  16  -0.590  -6.007   2.417
   57    HE1  PHE  16           HE2      PHE  16  -1.130  -1.729   4.918
   58    HE2  PHE  16           HE1      PHE  16  -2.677  -5.557   3.692
   59    HZ   PHE  16           HZ       PHE  16  -2.910  -3.479   4.995
   60    H    ALA  17           H        ALA  17   3.135  -6.939   1.772
   61    HA   ALA  17           HA       ALA  17   5.372  -6.266  -0.096
   62    HB1  ALA  17           HB1      ALA  17   5.942  -8.673   0.155
   63    HB2  ALA  17           HB2      ALA  17   5.992  -7.797   1.704
   64    HB3  ALA  17           HB3      ALA  17   4.610  -8.845   1.333
   65    H    VAL  18           H        VAL  18   5.016  -6.611  -2.263
   66    HA   VAL  18           HA       VAL  18   2.427  -7.786  -3.168
   67    HB   VAL  18           HB       VAL  18   2.022  -5.713  -4.516
   68   HG11  VAL  18          HG11      VAL  18   1.081  -4.329  -2.726
   69   HG12  VAL  18          HG12      VAL  18   0.714  -6.030  -2.461
   70   HG13  VAL  18          HG13      VAL  18   1.984  -5.225  -1.501
   71   HG21  VAL  18          HG21      VAL  18   4.067  -4.498  -2.647
   72   HG22  VAL  18          HG22      VAL  18   4.293  -4.768  -4.388
   73   HG23  VAL  18          HG23      VAL  18   3.017  -3.666  -3.808
   74    H    GLN  19           H        GLN  19   2.208  -8.123  -5.444
   75    HA   GLN  19           HA       GLN  19   4.809  -8.781  -6.707
   76    HB2  GLN  19           HB2      GLN  19   1.923  -9.333  -7.411
   77    HB3  GLN  19           HB3      GLN  19   3.231  -9.600  -8.570
   78    HG2  GLN  19           HG2      GLN  19   4.384 -11.103  -6.984
   79    HG3  GLN  19           HG3      GLN  19   3.105 -10.859  -5.805
   80   HE21  GLN  19          HE21      GLN  19   2.275 -12.975  -5.711
   81   HE22  GLN  19          HE22      GLN  19   1.572 -13.778  -7.107
   82    H    MET  20           H        MET  20   5.689  -6.678  -6.919
   83    HA   MET  20           HA       MET  20   5.317  -6.021  -9.751
   84    HB2  MET  20           HB2      MET  20   5.740  -3.552  -9.253
   85    HB3  MET  20           HB3      MET  20   4.119  -4.164  -8.932
   86    HG2  MET  20           HG2      MET  20   4.452  -4.211  -6.581
   87    HG3  MET  20           HG3      MET  20   6.194  -3.963  -6.737
   88    HE1  MET  20           HE1      MET  20   5.520  -2.341  -4.766
   89    HE2  MET  20           HE2      MET  20   4.612  -0.796  -4.952
   90    HE3  MET  20           HE3      MET  20   3.768  -2.335  -5.099
   91    H    THR  21           H        THR  21   7.230  -4.997 -10.695
   92    HA   THR  21           HA       THR  21   9.776  -5.084  -9.199
   93    HB   THR  21           HB       THR  21   9.467  -7.388  -9.802
   94    HG1  THR  21           HG1      THR  21  11.535  -6.865  -9.922
   95   HG21  THR  21          HG21      THR  21   9.492  -8.104 -12.193
   96   HG22  THR  21          HG22      THR  21   9.103  -6.431 -12.646
   97   HG23  THR  21          HG23      THR  21   7.988  -7.377 -11.620
   98    H    CYS  22           H        CYS  22   7.946  -3.803 -11.891
   99    HA   CYS  22           HA       CYS  22  10.331  -2.198 -12.650
  100    HB2  CYS  22           HB2      CYS  22  10.121  -2.627 -14.828
  101    HB3  CYS  22           HB3      CYS  22   9.579  -4.142 -14.181
  102    H    GLN  23           H        GLN  23   9.690  -0.234 -14.022
  103    HA   GLN  23           HA       GLN  23   8.788   1.461 -11.956
  104    HB2  GLN  23           HB2      GLN  23   9.514   2.059 -14.838
  105    HB3  GLN  23           HB3      GLN  23   9.181   3.303 -13.641
  106    HG2  GLN  23           HG2      GLN  23  11.405   1.239 -13.485
  107    HG3  GLN  23           HG3      GLN  23  11.585   2.958 -13.812
  108   HE21  GLN  23          HE21      GLN  23  12.205   0.855 -11.444
  109   HE22  GLN  23          HE22      GLN  23  11.827   1.853 -10.030
  110    H    SER  24           H        SER  24   6.832   0.333 -14.656
  111    HA   SER  24           HA       SER  24   4.874   2.496 -14.507
  112    HB2  SER  24           HB2      SER  24   4.322  -0.324 -15.485
  113    HB3  SER  24           HB3      SER  24   3.613   1.200 -16.052
  114    HG   SER  24           HG       SER  24   5.746   1.755 -16.809
  115    H    CYS  25           H        CYS  25   5.279  -0.521 -12.793
  116    HA   CYS  25           HA       CYS  25   2.563  -0.681 -11.852
  117    HB2  CYS  25           HB2      CYS  25   5.163  -2.132 -11.210
  118    HB3  CYS  25           HB3      CYS  25   3.561  -2.645 -10.709
  119    H    VAL  26           H        VAL  26   5.673   0.360 -10.483
  120    HA   VAL  26           HA       VAL  26   5.152   1.094  -7.883
  121    HB   VAL  26           HB       VAL  26   6.534   3.055  -9.770
  122   HG11  VAL  26          HG11      VAL  26   6.528   3.333  -7.212
  123   HG12  VAL  26          HG12      VAL  26   7.506   1.839  -7.184
  124   HG13  VAL  26          HG13      VAL  26   8.116   3.271  -8.012
  125   HG21  VAL  26          HG21      VAL  26   8.536   1.672  -9.687
  126   HG22  VAL  26          HG22      VAL  26   7.513   0.330  -9.058
  127   HG23  VAL  26          HG23      VAL  26   7.202   1.025 -10.656
  128    H    ASP  27           H        ASP  27   4.675   3.226 -10.711
  129    HA   ASP  27           HA       ASP  27   3.303   5.315  -9.398
  130    HB2  ASP  27           HB2      ASP  27   4.430   5.161 -11.725
  131    HB3  ASP  27           HB3      ASP  27   2.923   4.477 -12.292
  132    H    ALA  28           H        ALA  28   2.124   2.367 -10.987
  133    HA   ALA  28           HA       ALA  28  -0.663   3.217 -11.006
  134    HB1  ALA  28           HB1      ALA  28   0.332   1.575 -12.574
  135    HB2  ALA  28           HB2      ALA  28   0.541   0.430 -11.234
  136    HB3  ALA  28           HB3      ALA  28  -1.093   0.933 -11.732
  137    H    VAL  29           H        VAL  29   1.208   1.024  -8.838
  138    HA   VAL  29           HA       VAL  29  -1.013   0.520  -7.156
  139    HB   VAL  29           HB       VAL  29   1.966   0.135  -6.637
  140   HG11  VAL  29          HG11      VAL  29   1.236  -1.575  -5.044
  141   HG12  VAL  29          HG12      VAL  29   0.514  -0.018  -4.592
  142   HG13  VAL  29          HG13      VAL  29  -0.463  -1.249  -5.448
  143   HG21  VAL  29          HG21      VAL  29   1.032  -1.162  -8.674
  144   HG22  VAL  29          HG22      VAL  29   1.653  -2.165  -7.362
  145   HG23  VAL  29          HG23      VAL  29  -0.095  -1.920  -7.575
  146    H    ARG  30           H        ARG  30   1.612   2.956  -7.040
  147    HA   ARG  30           HA       ARG  30   0.993   4.159  -4.517
  148    HB2  ARG  30           HB2      ARG  30   2.056   5.200  -7.191
  149    HB3  ARG  30           HB3      ARG  30   1.744   6.306  -5.863
  150    HG2  ARG  30           HG2      ARG  30   3.366   5.312  -4.459
  151    HG3  ARG  30           HG3      ARG  30   3.513   3.893  -5.493
  152    HD2  ARG  30           HD2      ARG  30   4.761   4.948  -7.134
  153    HD3  ARG  30           HD3      ARG  30   4.252   6.589  -6.619
  154    HE   ARG  30           HE       ARG  30   6.555   5.082  -5.742
  155   HH11  ARG  30          HH11      ARG  30   4.367   7.553  -4.554
  156   HH12  ARG  30          HH12      ARG  30   5.535   8.057  -3.369
  157   HH21  ARG  30          HH21      ARG  30   7.834   5.673  -4.171
  158   HH22  ARG  30          HH22      ARG  30   7.390   6.936  -3.021
  159    H    LYS  31           H        LYS  31  -0.476   4.626  -7.759
  160    HA   LYS  31           HA       LYS  31  -2.143   6.797  -6.837
  161    HB2  LYS  31           HB2      LYS  31  -1.867   5.355  -9.456
  162    HB3  LYS  31           HB3      LYS  31  -3.076   6.639  -9.169
  163    HG2  LYS  31           HG2      LYS  31  -1.366   8.168  -8.359
  164    HG3  LYS  31           HG3      LYS  31  -0.114   6.936  -8.515
  165    HD2  LYS  31           HD2      LYS  31  -0.307   6.957 -10.939
  166    HD3  LYS  31           HD3      LYS  31  -1.651   8.145 -10.861
  167    HE2  LYS  31           HE2      LYS  31  -0.290   9.766  -9.747
  168    HE3  LYS  31           HE3      LYS  31   0.946   8.575  -9.376
  169    HZ1  LYS  31           HZ1      LYS  31   1.471   8.414 -11.750
  170    HZ2  LYS  31           HZ2      LYS  31   1.711   9.939 -11.193
  171    HZ3  LYS  31           HZ3      LYS  31   0.396   9.614 -12.125
  172    H    SER  32           H        SER  32  -2.762   3.364  -6.930
  173    HA   SER  32           HA       SER  32  -5.623   3.500  -6.497
  174    HB2  SER  32           HB2      SER  32  -4.493   1.382  -6.840
  175    HB3  SER  32           HB3      SER  32  -3.562   1.574  -5.334
  176    HG   SER  32           HG       SER  32  -5.360   0.391  -4.715
  177    H    LEU  33           H        LEU  33  -2.836   3.828  -4.281
  178    HA   LEU  33           HA       LEU  33  -4.400   4.090  -1.863
  179    HB2  LEU  33           HB2      LEU  33  -1.586   5.115  -2.275
  180    HB3  LEU  33           HB3      LEU  33  -2.313   4.514  -0.794
  181    HG   LEU  33           HG       LEU  33  -1.757   2.678  -3.137
  182   HD11  LEU  33          HD11      LEU  33   0.178   3.203  -0.865
  183   HD12  LEU  33          HD12      LEU  33   0.314   3.972  -2.453
  184   HD13  LEU  33          HD13      LEU  33   0.398   2.221  -2.342
  185   HD21  LEU  33          HD21      LEU  33  -1.586   0.992  -1.392
  186   HD22  LEU  33          HD22      LEU  33  -3.184   1.767  -1.384
  187   HD23  LEU  33          HD23      LEU  33  -1.973   2.205  -0.150
  188    H    GLN  34           H        GLN  34  -2.904   6.457  -4.132
  189    HA   GLN  34           HA       GLN  34  -2.771   8.533  -2.286
  190    HB2  GLN  34           HB2      GLN  34  -1.314   8.243  -4.179
  191    HB3  GLN  34           HB3      GLN  34  -2.663   8.380  -5.310
  192    HG2  GLN  34           HG2      GLN  34  -3.017  10.678  -4.623
  193    HG3  GLN  34           HG3      GLN  34  -1.618  10.615  -3.523
  194   HE21  GLN  34          HE21      GLN  34   0.491  10.073  -4.666
  195   HE22  GLN  34          HE22      GLN  34   0.600  10.504  -6.370
  196    H    GLY  35           H        GLY  35  -4.136   9.997  -1.578
  197    HA2  GLY  35           HA2      GLY  35  -6.029  11.310  -1.365
  198    HA3  GLY  35           HA3      GLY  35  -6.460  10.917  -3.027
  199    H    VAL  36           H        VAL  36  -6.107   8.118  -0.959
  200    HA   VAL  36           HA       VAL  36  -8.907   7.460  -0.992
  201    HB   VAL  36           HB       VAL  36  -6.448   6.270   0.314
  202   HG11  VAL  36          HG11      VAL  36  -8.207   5.775   1.926
  203   HG12  VAL  36          HG12      VAL  36  -9.283   5.206   0.625
  204   HG13  VAL  36          HG13      VAL  36  -7.792   4.329   1.019
  205   HG21  VAL  36          HG21      VAL  36  -8.433   5.170  -1.732
  206   HG22  VAL  36          HG22      VAL  36  -6.885   5.925  -2.138
  207   HG23  VAL  36          HG23      VAL  36  -6.907   4.417  -1.219
  208    H    ALA  37           H        ALA  37 -10.334   7.562   0.509
  209    HA   ALA  37           HA       ALA  37 -10.255   9.530   2.628
  210    HB1  ALA  37           HB1      ALA  37 -12.229   7.268   2.103
  211    HB2  ALA  37           HB2      ALA  37 -12.479   8.633   3.213
  212    HB3  ALA  37           HB3      ALA  37 -12.328   8.927   1.472
  213    H    GLY  38           H        GLY  38  -8.979   9.340   4.322
  214    HA2  GLY  38           HA2      GLY  38  -8.567   8.491   6.533
  215    HA3  GLY  38           HA3      GLY  38  -8.831   6.847   5.959
  216    H    VAL  39           H        VAL  39  -6.872   8.590   3.720
  217    HA   VAL  39           HA       VAL  39  -4.372   7.463   4.898
  218    HB   VAL  39           HB       VAL  39  -5.308   6.802   2.548
  219   HG11  VAL  39          HG11      VAL  39  -4.436   7.993   0.666
  220   HG12  VAL  39          HG12      VAL  39  -5.364   9.158   1.617
  221   HG13  VAL  39          HG13      VAL  39  -3.600   9.167   1.684
  222   HG21  VAL  39          HG21      VAL  39  -3.011   6.318   1.810
  223   HG22  VAL  39          HG22      VAL  39  -2.363   7.461   3.005
  224   HG23  VAL  39          HG23      VAL  39  -3.205   5.991   3.536
  225    H    GLN  40           H        GLN  40  -2.669   8.737   5.381
  226    HA   GLN  40           HA       GLN  40  -2.970  11.685   5.003
  227    HB2  GLN  40           HB2      GLN  40  -1.537   9.927   7.032
  228    HB3  GLN  40           HB3      GLN  40  -1.273  11.655   6.915
  229    HG2  GLN  40           HG2      GLN  40  -3.979  10.378   7.461
  230    HG3  GLN  40           HG3      GLN  40  -2.865  11.106   8.627
  231   HE21  GLN  40          HE21      GLN  40  -2.418  13.410   8.534
  232   HE22  GLN  40          HE22      GLN  40  -3.653  14.458   7.835
  233    H    ASP  41           H        ASP  41  -0.614   9.013   4.702
  234    HA   ASP  41           HA       ASP  41   0.698  10.385   2.495
  235    HB2  ASP  41           HB2      ASP  41   2.146   9.813   5.099
  236    HB3  ASP  41           HB3      ASP  41   3.001   9.834   3.606
  237    H    VAL  42           H        VAL  42   2.282   8.979   1.493
  238    HA   VAL  42           HA       VAL  42   2.144   6.073   2.020
  239    HB   VAL  42           HB       VAL  42   1.528   5.496  -0.205
  240   HG11  VAL  42          HG11      VAL  42  -0.591   7.382   0.880
  241   HG12  VAL  42          HG12      VAL  42  -0.846   6.046  -0.232
  242   HG13  VAL  42          HG13      VAL  42  -0.304   5.711   1.423
  243   HG21  VAL  42          HG21      VAL  42   0.972   8.400  -0.864
  244   HG22  VAL  42          HG22      VAL  42   2.274   7.406  -1.556
  245   HG23  VAL  42          HG23      VAL  42   0.599   7.002  -1.894
  246    H    GLU  43           H        GLU  43   3.850   4.890   1.026
  247    HA   GLU  43           HA       GLU  43   5.593   6.244  -0.911
  248    HB2  GLU  43           HB2      GLU  43   6.373   6.299   1.612
  249    HB3  GLU  43           HB3      GLU  43   6.643   4.573   1.378
  250    HG2  GLU  43           HG2      GLU  43   8.598   5.596   0.985
  251    HG3  GLU  43           HG3      GLU  43   8.071   5.161  -0.639
  252    H    VAL  44           H        VAL  44   6.493   4.732  -2.385
  253    HA   VAL  44           HA       VAL  44   5.903   1.846  -1.901
  254    HB   VAL  44           HB       VAL  44   5.871   3.338  -4.498
  255   HG11  VAL  44          HG11      VAL  44   7.465   1.575  -4.966
  256   HG12  VAL  44          HG12      VAL  44   6.401   0.361  -4.209
  257   HG13  VAL  44          HG13      VAL  44   5.887   1.220  -5.691
  258   HG21  VAL  44          HG21      VAL  44   3.756   2.751  -3.262
  259   HG22  VAL  44          HG22      VAL  44   3.876   1.887  -4.816
  260   HG23  VAL  44          HG23      VAL  44   4.262   1.040  -3.329
  261    H    HIS  45           H        HIS  45   7.453   0.456  -1.954
  262    HA   HIS  45           HA       HIS  45  10.228   1.398  -2.464
  263    HB2  HIS  45           HB2      HIS  45   9.223  -0.507  -0.302
  264    HB3  HIS  45           HB3      HIS  45  10.904  -0.365  -0.783
  265    HD1  HIS  45           HD1      HIS  45  12.275   1.668   0.116
  266    HD2  HIS  45           HD2      HIS  45   8.148   1.835   0.843
  267    HE1  HIS  45           HE1      HIS  45  11.924   3.571   1.781
  268    H    LEU  46           H        LEU  46   9.791   0.820  -4.621
  269    HA   LEU  46           HA       LEU  46   9.001  -1.713  -5.570
  270    HB2  LEU  46           HB2      LEU  46   9.286   0.504  -6.746
  271    HB3  LEU  46           HB3      LEU  46  11.008   0.290  -6.743
  272    HG   LEU  46           HG       LEU  46   9.731  -0.149  -8.882
  273   HD11  LEU  46          HD11      LEU  46  11.494  -2.441  -8.075
  274   HD12  LEU  46          HD12      LEU  46  12.073  -0.818  -8.520
  275   HD13  LEU  46          HD13      LEU  46  11.180  -1.789  -9.690
  276   HD21  LEU  46          HD21      LEU  46   8.671  -2.248  -9.278
  277   HD22  LEU  46          HD22      LEU  46   7.923  -1.572  -7.825
  278   HD23  LEU  46          HD23      LEU  46   9.124  -2.876  -7.678
  279    H    GLU  47           H        GLU  47  12.068  -0.535  -4.417
  280    HA   GLU  47           HA       GLU  47  13.816  -2.668  -5.266
  281    HB2  GLU  47           HB2      GLU  47  14.251  -0.861  -2.877
  282    HB3  GLU  47           HB3      GLU  47  15.444  -1.711  -3.843
  283    HG2  GLU  47           HG2      GLU  47  15.602   0.515  -4.531
  284    HG3  GLU  47           HG3      GLU  47  14.753  -0.304  -5.835
  285    H    ASP  48           H        ASP  48  11.539  -2.507  -2.624
  286    HA   ASP  48           HA       ASP  48  12.548  -5.109  -1.596
  287    HB2  ASP  48           HB2      ASP  48  11.708  -2.639  -0.215
  288    HB3  ASP  48           HB3      ASP  48  10.693  -3.950   0.238
  289    H    GLN  49           H        GLN  49  10.472  -4.017  -3.779
  290    HA   GLN  49           HA       GLN  49   8.341  -4.262  -4.477
  291    HB2  GLN  49           HB2      GLN  49   8.429  -7.106  -3.529
  292    HB3  GLN  49           HB3      GLN  49   7.545  -6.408  -4.881
  293    HG2  GLN  49           HG2      GLN  49   9.297  -7.455  -6.024
  294    HG3  GLN  49           HG3      GLN  49   9.838  -5.799  -5.920
  295   HE21  GLN  49          HE21      GLN  49  12.127  -6.101  -5.844
  296   HE22  GLN  49          HE22      GLN  49  12.891  -7.098  -4.612
  297    H    MET  50           H        MET  50   8.477  -3.011  -2.117
  298    HA   MET  50           HA       MET  50   6.226  -4.039  -0.498
  299    HB2  MET  50           HB2      MET  50   8.172  -4.226   0.772
  300    HB3  MET  50           HB3      MET  50   8.814  -2.683   0.232
  301    HG2  MET  50           HG2      MET  50   7.527  -1.420   1.670
  302    HG3  MET  50           HG3      MET  50   6.329  -2.669   1.953
  303    HE1  MET  50           HE1      MET  50   7.828  -5.275   2.729
  304    HE2  MET  50           HE2      MET  50   7.799  -5.054   4.490
  305    HE3  MET  50           HE3      MET  50   6.389  -4.572   3.520
  306    H    VAL  51           H        VAL  51   4.848  -2.513   0.555
  307    HA   VAL  51           HA       VAL  51   4.801   0.244  -0.554
  308    HB   VAL  51           HB       VAL  51   2.239  -1.344  -0.075
  309   HG11  VAL  51          HG11      VAL  51   2.006   1.082  -0.170
  310   HG12  VAL  51          HG12      VAL  51   3.081   1.159  -1.578
  311   HG13  VAL  51          HG13      VAL  51   1.471   0.422  -1.736
  312   HG21  VAL  51          HG21      VAL  51   2.082  -1.609  -2.547
  313   HG22  VAL  51          HG22      VAL  51   3.797  -1.137  -2.669
  314   HG23  VAL  51          HG23      VAL  51   3.319  -2.597  -1.775
  315    H    LEU  52           H        LEU  52   4.473   1.818   0.892
  316    HA   LEU  52           HA       LEU  52   3.738   1.104   3.685
  317    HB2  LEU  52           HB2      LEU  52   5.731   3.060   2.595
  318    HB3  LEU  52           HB3      LEU  52   4.833   3.474   4.058
  319    HG   LEU  52           HG       LEU  52   5.652   1.426   5.156
  320   HD11  LEU  52          HD11      LEU  52   7.266   0.948   2.644
  321   HD12  LEU  52          HD12      LEU  52   6.054  -0.126   3.379
  322   HD13  LEU  52          HD13      LEU  52   7.578   0.170   4.211
  323   HD21  LEU  52          HD21      LEU  52   6.897   3.566   5.345
  324   HD22  LEU  52          HD22      LEU  52   7.888   3.102   3.946
  325   HD23  LEU  52          HD23      LEU  52   7.975   2.165   5.454
  326    H    VAL  53           H        VAL  53   2.043   1.999   4.523
  327    HA   VAL  53           HA       VAL  53   0.627   4.236   3.140
  328    HB   VAL  53           HB       VAL  53  -0.737   1.719   4.181
  329   HG11  VAL  53          HG11      VAL  53  -1.745   4.007   2.432
  330   HG12  VAL  53          HG12      VAL  53  -2.689   2.617   3.009
  331   HG13  VAL  53          HG13      VAL  53  -2.094   3.816   4.162
  332   HG21  VAL  53          HG21      VAL  53  -1.181   1.170   1.808
  333   HG22  VAL  53          HG22      VAL  53  -0.038   2.451   1.325
  334   HG23  VAL  53          HG23      VAL  53   0.519   1.030   2.233
  335    H    HIS  54           H        HIS  54   0.774   5.836   4.561
  336    HA   HIS  54           HA       HIS  54   0.539   5.436   7.475
  337    HB2  HIS  54           HB2      HIS  54   0.890   7.964   5.838
  338    HB3  HIS  54           HB3      HIS  54   0.948   7.868   7.568
  339    HD1  HIS  54           HD1      HIS  54   3.335   7.738   8.508
  340    HD2  HIS  54           HD2      HIS  54   2.979   6.355   4.550
  341    HE1  HIS  54           HE1      HIS  54   5.699   7.237   7.709
  342    H    THR  55           H        THR  55  -1.528   4.949   8.113
  343    HA   THR  55           HA       THR  55  -3.845   6.590   7.172
  344    HB   THR  55           HB       THR  55  -3.496   4.910   5.472
  345    HG1  THR  55           HG1      THR  55  -5.626   5.513   6.152
  346   HG21  THR  55          HG21      THR  55  -4.005   2.777   7.595
  347   HG22  THR  55          HG22      THR  55  -2.440   3.068   6.806
  348   HG23  THR  55          HG23      THR  55  -3.826   2.525   5.849
  349    H    THR  56           H        THR  56  -5.792   6.291   8.310
  350    HA   THR  56           HA       THR  56  -5.689   4.908  10.925
  351    HB   THR  56           HB       THR  56  -7.913   5.843  11.311
  352    HG1  THR  56           HG1      THR  56  -8.459   7.526   9.626
  353   HG21  THR  56          HG21      THR  56  -6.181   8.052  10.184
  354   HG22  THR  56          HG22      THR  56  -5.775   7.167  11.668
  355   HG23  THR  56          HG23      THR  56  -7.281   8.093  11.585
  356    H    LEU  57           H        LEU  57  -6.483   3.947   7.776
  357    HA   LEU  57           HA       LEU  57  -8.813   2.353   8.255
  358    HB2  LEU  57           HB2      LEU  57  -6.642   2.188   6.123
  359    HB3  LEU  57           HB3      LEU  57  -8.158   1.309   6.042
  360    HG   LEU  57           HG       LEU  57  -7.885   4.356   5.997
  361   HD11  LEU  57          HD11      LEU  57  -7.086   3.238   3.950
  362   HD12  LEU  57          HD12      LEU  57  -8.585   4.132   3.666
  363   HD13  LEU  57          HD13      LEU  57  -8.625   2.354   3.823
  364   HD21  LEU  57          HD21      LEU  57 -10.327   2.570   5.752
  365   HD22  LEU  57          HD22      LEU  57 -10.291   4.307   5.355
  366   HD23  LEU  57          HD23      LEU  57 -10.002   3.773   7.004
  367    HA   PRO  58           HA       PRO  58  -6.909  -1.319   9.954
  368    HB2  PRO  58           HB2      PRO  58  -9.009  -3.054   8.852
  369    HB3  PRO  58           HB3      PRO  58  -8.765  -2.559  10.549
  370    HG2  PRO  58           HG2      PRO  58 -10.915  -1.683   9.047
  371    HG3  PRO  58           HG3      PRO  58 -10.129  -0.644  10.285
  372    HD2  PRO  58           HD2      PRO  58  -9.510  -0.774   7.328
  373    HD3  PRO  58           HD3      PRO  58 -10.010   0.652   8.202
  374    H    SER  59           H        SER  59  -5.450  -2.987   9.180
  375    HA   SER  59           HA       SER  59  -4.706  -2.752   6.481
  376    HB2  SER  59           HB2      SER  59  -3.516  -5.088   6.966
  377    HB3  SER  59           HB3      SER  59  -2.919  -3.524   7.458
  378    HG   SER  59           HG       SER  59  -3.814  -3.910   9.560
  379    H    GLN  60           H        GLN  60  -7.177  -4.912   7.666
  380    HA   GLN  60           HA       GLN  60  -7.318  -6.644   5.382
  381    HB2  GLN  60           HB2      GLN  60  -9.708  -5.704   6.978
  382    HB3  GLN  60           HB3      GLN  60  -9.507  -7.200   6.073
  383    HG2  GLN  60           HG2      GLN  60  -9.204  -7.946   8.261
  384    HG3  GLN  60           HG3      GLN  60  -7.544  -7.675   7.776
  385   HE21  GLN  60          HE21      GLN  60  -6.415  -6.445   9.237
  386   HE22  GLN  60          HE22      GLN  60  -7.216  -5.561  10.537
  387    H    GLU  61           H        GLU  61  -8.377  -3.308   5.869
  388    HA   GLU  61           HA       GLU  61 -10.036  -3.176   3.440
  389    HB2  GLU  61           HB2      GLU  61 -10.382  -1.964   5.668
  390    HB3  GLU  61           HB3      GLU  61  -9.014  -0.922   5.210
  391    HG2  GLU  61           HG2      GLU  61 -10.162  -0.169   3.245
  392    HG3  GLU  61           HG3      GLU  61 -11.495  -1.315   3.549
  393    H    VAL  62           H        VAL  62  -6.812  -2.079   4.539
  394    HA   VAL  62           HA       VAL  62  -6.041  -0.779   2.138
  395    HB   VAL  62           HB       VAL  62  -4.272  -1.996   4.272
  396   HG11  VAL  62          HG11      VAL  62  -2.730  -0.154   3.629
  397   HG12  VAL  62          HG12      VAL  62  -3.068  -1.231   2.272
  398   HG13  VAL  62          HG13      VAL  62  -3.881   0.344   2.365
  399   HG21  VAL  62          HG21      VAL  62  -5.886  -0.487   5.396
  400   HG22  VAL  62          HG22      VAL  62  -4.251   0.130   5.432
  401   HG23  VAL  62          HG23      VAL  62  -5.431   0.815   4.280
  402    H    GLN  63           H        GLN  63  -5.562  -4.158   3.341
  403    HA   GLN  63           HA       GLN  63  -4.013  -5.141   1.202
  404    HB2  GLN  63           HB2      GLN  63  -4.599  -6.518   3.186
  405    HB3  GLN  63           HB3      GLN  63  -6.276  -6.571   2.656
  406    HG2  GLN  63           HG2      GLN  63  -5.523  -7.718   0.520
  407    HG3  GLN  63           HG3      GLN  63  -3.856  -7.668   1.138
  408   HE21  GLN  63          HE21      GLN  63  -3.396  -9.850   1.456
  409   HE22  GLN  63          HE22      GLN  63  -4.415 -10.893   2.443
  410    H    ALA  64           H        ALA  64  -7.588  -4.594   1.240
  411    HA   ALA  64           HA       ALA  64  -7.840  -5.799  -1.409
  412    HB1  ALA  64           HB1      ALA  64  -9.777  -4.257   0.387
  413    HB2  ALA  64           HB2      ALA  64 -10.228  -5.090  -1.118
  414    HB3  ALA  64           HB3      ALA  64  -9.614  -6.018   0.270
  415    H    LEU  65           H        LEU  65  -7.389  -2.552  -0.037
  416    HA   LEU  65           HA       LEU  65  -7.877  -1.028  -2.416
  417    HB2  LEU  65           HB2      LEU  65  -6.263  -0.576   0.070
  418    HB3  LEU  65           HB3      LEU  65  -6.210   0.546  -1.247
  419    HG   LEU  65           HG       LEU  65  -8.821  -0.299   0.124
  420   HD11  LEU  65          HD11      LEU  65  -7.440   0.801   1.772
  421   HD12  LEU  65          HD12      LEU  65  -8.683   1.926   1.238
  422   HD13  LEU  65          HD13      LEU  65  -7.019   2.096   0.621
  423   HD21  LEU  65          HD21      LEU  65  -9.644   1.863  -0.872
  424   HD22  LEU  65          HD22      LEU  65  -9.224   0.652  -2.076
  425   HD23  LEU  65          HD23      LEU  65  -8.111   2.004  -1.756
  426    H    LEU  66           H        LEU  66  -5.051  -2.661  -1.142
  427    HA   LEU  66           HA       LEU  66  -3.257  -2.147  -3.353
  428    HB2  LEU  66           HB2      LEU  66  -3.286  -4.186  -1.101
  429    HB3  LEU  66           HB3      LEU  66  -1.961  -4.049  -2.241
  430    HG   LEU  66           HG       LEU  66  -2.842  -1.572  -0.712
  431   HD11  LEU  66          HD11      LEU  66  -2.599  -3.247   1.049
  432   HD12  LEU  66          HD12      LEU  66  -1.222  -2.158   1.065
  433   HD13  LEU  66          HD13      LEU  66  -1.051  -3.783   0.353
  434   HD21  LEU  66          HD21      LEU  66  -0.141  -2.577  -1.701
  435   HD22  LEU  66          HD22      LEU  66  -0.457  -1.021  -0.917
  436   HD23  LEU  66          HD23      LEU  66  -1.153  -1.360  -2.514
  437    H    GLU  67           H        GLU  67  -5.206  -5.117  -2.541
  438    HA   GLU  67           HA       GLU  67  -4.457  -6.559  -4.872
  439    HB2  GLU  67           HB2      GLU  67  -6.573  -6.739  -2.785
  440    HB3  GLU  67           HB3      GLU  67  -6.947  -7.587  -4.227
  441    HG2  GLU  67           HG2      GLU  67  -4.151  -8.067  -3.277
  442    HG3  GLU  67           HG3      GLU  67  -5.361  -8.461  -2.081
  443    H    GLY  68           H        GLY  68  -6.960  -4.068  -4.560
  444    HA2  GLY  68           HA2      GLY  68  -8.254  -4.369  -7.062
  445    HA3  GLY  68           HA3      GLY  68  -8.036  -2.853  -6.182
  446    H    THR  69           H        THR  69  -4.942  -3.609  -6.606
  447    HA   THR  69           HA       THR  69  -4.581  -2.102  -9.116
  448    HB   THR  69           HB       THR  69  -2.215  -2.014  -8.498
  449    HG1  THR  69           HG1      THR  69  -2.808  -3.597  -6.266
  450   HG21  THR  69          HG21      THR  69  -2.384  -0.919  -6.328
  451   HG22  THR  69          HG22      THR  69  -4.027  -1.512  -6.117
  452   HG23  THR  69          HG23      THR  69  -3.637  -0.421  -7.468
  453    H    GLY  70           H        GLY  70  -5.247  -5.268  -8.559
  454    HA2  GLY  70           HA2      GLY  70  -5.328  -7.015 -10.082
  455    HA3  GLY  70           HA3      GLY  70  -4.256  -6.143 -11.180
  456    H    ARG  71           H        ARG  71  -3.450  -6.738  -7.771
  457    HA   ARG  71           HA       ARG  71  -1.292  -8.638  -8.500
  458    HB2  ARG  71           HB2      ARG  71  -1.128  -6.125  -6.783
  459    HB3  ARG  71           HB3      ARG  71   0.208  -7.242  -7.107
  460    HG2  ARG  71           HG2      ARG  71   0.220  -6.664  -9.463
  461    HG3  ARG  71           HG3      ARG  71  -1.242  -5.676  -9.292
  462    HD2  ARG  71           HD2      ARG  71  -0.048  -4.241  -7.646
  463    HD3  ARG  71           HD3      ARG  71   1.421  -5.110  -8.037
  464    HE   ARG  71           HE       ARG  71  -0.053  -3.165  -9.700
  465   HH11  ARG  71          HH11      ARG  71   2.383  -5.715  -9.945
  466   HH12  ARG  71          HH12      ARG  71   2.766  -5.251 -11.587
  467   HH21  ARG  71          HH21      ARG  71   0.421  -2.693 -11.671
  468   HH22  ARG  71          HH22      ARG  71   1.850  -3.393 -12.437
  469    H    GLN  72           H        GLN  72  -0.465  -9.843  -6.856
  470    HA   GLN  72           HA       GLN  72  -2.026 -10.503  -4.511
  471    HB2  GLN  72           HB2      GLN  72  -0.412 -11.996  -5.708
  472    HB3  GLN  72           HB3      GLN  72   0.913 -11.011  -5.062
  473    HG2  GLN  72           HG2      GLN  72  -0.582 -11.720  -2.805
  474    HG3  GLN  72           HG3      GLN  72  -0.769 -13.126  -3.819
  475   HE21  GLN  72          HE21      GLN  72   0.426 -13.067  -1.325
  476   HE22  GLN  72          HE22      GLN  72   2.145 -13.477  -1.475
  477    H    ALA  73           H        ALA  73  -1.627 -10.017  -2.489
  478    HA   ALA  73           HA       ALA  73   0.241  -7.880  -1.531
  479    HB1  ALA  73           HB1      ALA  73  -1.609  -6.521  -0.699
  480    HB2  ALA  73           HB2      ALA  73  -1.749  -6.712  -2.466
  481    HB3  ALA  73           HB3      ALA  73  -2.788  -7.665  -1.381
  482    H    VAL  74           H        VAL  74   1.079  -8.572   0.260
  483    HA   VAL  74           HA       VAL  74  -0.548  -9.991   2.356
  484    HB   VAL  74           HB       VAL  74   2.356 -10.359   1.522
  485   HG11  VAL  74          HG11      VAL  74   0.907 -11.516   3.951
  486   HG12  VAL  74          HG12      VAL  74   2.475 -12.083   3.340
  487   HG13  VAL  74          HG13      VAL  74   2.328 -10.446   3.971
  488   HG21  VAL  74          HG21      VAL  74   0.631 -11.621   0.220
  489   HG22  VAL  74          HG22      VAL  74   1.721 -12.679   1.134
  490   HG23  VAL  74          HG23      VAL  74   0.081 -12.364   1.733
  491    H    LEU  75           H        LEU  75  -0.596  -8.949   4.303
  492    HA   LEU  75           HA       LEU  75   1.105  -6.550   4.684
  493    HB2  LEU  75           HB2      LEU  75  -1.270  -6.549   5.290
  494    HB3  LEU  75           HB3      LEU  75  -1.056  -7.861   6.363
  495    HG   LEU  75           HG       LEU  75  -1.252  -5.441   7.232
  496   HD11  LEU  75          HD11      LEU  75  -0.859  -7.264   8.718
  497   HD12  LEU  75          HD12      LEU  75  -0.009  -5.802   9.220
  498   HD13  LEU  75          HD13      LEU  75   0.883  -7.153   8.447
  499   HD21  LEU  75          HD21      LEU  75   1.659  -5.182   6.914
  500   HD22  LEU  75          HD22      LEU  75   0.497  -4.027   7.496
  501   HD23  LEU  75          HD23      LEU  75   0.492  -4.471   5.787
  502    H    LYS  76           H        LYS  76   2.795  -6.391   5.767
  503    HA   LYS  76           HA       LYS  76   4.089  -8.774   6.995
  504    HB2  LYS  76           HB2      LYS  76   5.284  -6.049   6.354
  505    HB3  LYS  76           HB3      LYS  76   6.173  -7.489   6.805
  506    HG2  LYS  76           HG2      LYS  76   4.451  -7.358   4.274
  507    HG3  LYS  76           HG3      LYS  76   6.113  -6.838   4.308
  508    HD2  LYS  76           HD2      LYS  76   5.429  -9.627   5.275
  509    HD3  LYS  76           HD3      LYS  76   5.540  -9.270   3.549
  510    HE2  LYS  76           HE2      LYS  76   7.816  -8.289   3.895
  511    HE3  LYS  76           HE3      LYS  76   7.740  -8.750   5.599
  512    HZ1  LYS  76           HZ1      LYS  76   7.606 -11.039   4.943
  513    HZ2  LYS  76           HZ2      LYS  76   8.919 -10.330   4.205
  514    HZ3  LYS  76           HZ3      LYS  76   7.572 -10.651   3.327
  515    H    GLY  77           H        GLY  77   3.005  -5.537   7.899
  516    HA2  GLY  77           HA2      GLY  77   2.142  -5.743  10.369
  517    HA3  GLY  77           HA3      GLY  77   3.890  -5.764  10.695
  518    H    MET  78           H        MET  78   3.574  -3.818  11.856
  519    HA   MET  78           HA       MET  78   2.722  -1.378  10.461
  520    HB2  MET  78           HB2      MET  78   3.207  -2.102  13.342
  521    HB3  MET  78           HB3      MET  78   3.032  -0.419  12.819
  522    HG2  MET  78           HG2      MET  78   0.880  -0.793  11.882
  523    HG3  MET  78           HG3      MET  78   1.073  -2.543  11.948
  524    HE1  MET  78           HE1      MET  78  -1.549  -1.423  12.622
  525    HE2  MET  78           HE2      MET  78  -0.949  -3.090  12.613
  526    HE3  MET  78           HE3      MET  78  -1.901  -2.496  14.009
  527    H    GLY  79           H        GLY  79   3.957   0.370  10.225
  528    HA2  GLY  79           HA2      GLY  79   6.956  -0.021  10.237
  529    HA3  GLY  79           HA3      GLY  79   6.070   0.911   9.048
  Start of MODEL   16
    1    H    GLY   9           H        GLY   9 -10.445   5.970  12.109
    2    HA2  GLY   9           HA2      GLY   9 -10.177   4.365  14.601
    3    HA3  GLY   9           HA3      GLY   9  -9.259   3.867  13.180
    4    H    THR  10           H        THR  10  -7.242   4.305  13.796
    5    HA   THR  10           HA       THR  10  -6.441   7.113  14.118
    6    HB   THR  10           HB       THR  10  -6.676   6.261  16.349
    7    HG1  THR  10           HG1      THR  10  -4.871   6.980  17.069
    8   HG21  THR  10          HG21      THR  10  -6.276   3.850  16.041
    9   HG22  THR  10          HG22      THR  10  -5.170   4.500  17.261
   10   HG23  THR  10          HG23      THR  10  -4.585   4.159  15.616
   11    H    LEU  11           H        LEU  11  -4.416   7.647  13.497
   12    HA   LEU  11           HA       LEU  11  -3.755   6.152  11.191
   13    HB2  LEU  11           HB2      LEU  11  -3.355   8.753  11.727
   14    HB3  LEU  11           HB3      LEU  11  -1.742   8.166  12.119
   15    HG   LEU  11           HG       LEU  11  -2.181   6.825   9.766
   16   HD11  LEU  11          HD11      LEU  11  -4.301   7.847   9.280
   17   HD12  LEU  11          HD12      LEU  11  -3.105   8.506   8.146
   18   HD13  LEU  11          HD13      LEU  11  -3.630   9.465   9.539
   19   HD21  LEU  11          HD21      LEU  11  -1.014   9.580   9.980
   20   HD22  LEU  11          HD22      LEU  11  -0.901   8.459   8.587
   21   HD23  LEU  11          HD23      LEU  11  -0.177   8.021  10.149
   22    H    CYS  12           H        CYS  12  -2.264   4.776  10.657
   23    HA   CYS  12           HA       CYS  12   0.020   4.039  12.400
   24    HB2  CYS  12           HB2      CYS  12  -2.233   2.244  11.412
   25    HB3  CYS  12           HB3      CYS  12  -0.674   1.626  12.014
   26    HG   CYS  12           HG       CYS  12  -3.049   3.363  13.524
   27    H    THR  13           H        THR  13   1.802   3.300  11.221
   28    HA   THR  13           HA       THR  13   1.657   3.415   8.231
   29    HB   THR  13           HB       THR  13   4.008   3.045  10.110
   30    HG1  THR  13           HG1      THR  13   4.485   5.131   9.478
   31   HG21  THR  13          HG21      THR  13   3.903   3.446   7.079
   32   HG22  THR  13          HG22      THR  13   4.439   1.962   7.906
   33   HG23  THR  13          HG23      THR  13   5.375   3.455   8.070
   34    H    LEU  14           H        LEU  14   1.033   1.637   7.238
   35    HA   LEU  14           HA       LEU  14   1.686  -1.076   8.321
   36    HB2  LEU  14           HB2      LEU  14  -0.372   0.044   6.415
   37    HB3  LEU  14           HB3      LEU  14   0.085  -1.654   6.361
   38    HG   LEU  14           HG       LEU  14  -0.778  -2.160   8.457
   39   HD11  LEU  14          HD11      LEU  14  -0.019  -0.305   9.819
   40   HD12  LEU  14          HD12      LEU  14  -1.749  -0.557  10.038
   41   HD13  LEU  14          HD13      LEU  14  -1.176   0.797   9.026
   42   HD21  LEU  14          HD21      LEU  14  -2.661  -0.117   7.216
   43   HD22  LEU  14          HD22      LEU  14  -3.121  -1.431   8.314
   44   HD23  LEU  14          HD23      LEU  14  -2.482  -1.817   6.708
   45    H    GLU  15           H        GLU  15   3.285  -2.178   7.498
   46    HA   GLU  15           HA       GLU  15   4.549  -1.524   4.884
   47    HB2  GLU  15           HB2      GLU  15   5.372  -3.337   7.187
   48    HB3  GLU  15           HB3      GLU  15   6.268  -3.167   5.673
   49    HG2  GLU  15           HG2      GLU  15   6.620  -0.776   6.114
   50    HG3  GLU  15           HG3      GLU  15   5.725  -0.900   7.636
   51    H    PHE  16           H        PHE  16   3.546  -2.488   3.178
   52    HA   PHE  16           HA       PHE  16   2.681  -5.360   3.408
   53    HB2  PHE  16           HB2      PHE  16   1.799  -3.156   1.524
   54    HB3  PHE  16           HB3      PHE  16   1.437  -4.848   1.267
   55    HD1  PHE  16           HD2      PHE  16   0.740  -1.938   3.454
   56    HD2  PHE  16           HD1      PHE  16  -0.265  -6.026   2.534
   57    HE1  PHE  16           HE2      PHE  16  -1.416  -1.691   4.655
   58    HE2  PHE  16           HE1      PHE  16  -2.476  -5.737   3.643
   59    HZ   PHE  16           HZ       PHE  16  -2.997  -3.622   4.792
   60    H    ALA  17           H        ALA  17   3.524  -6.891   2.154
   61    HA   ALA  17           HA       ALA  17   5.577  -6.240   0.099
   62    HB1  ALA  17           HB1      ALA  17   6.111  -7.922   1.842
   63    HB2  ALA  17           HB2      ALA  17   4.715  -8.891   1.325
   64    HB3  ALA  17           HB3      ALA  17   6.084  -8.616   0.198
   65    H    VAL  18           H        VAL  18   5.039  -6.329  -2.027
   66    HA   VAL  18           HA       VAL  18   2.352  -7.395  -2.836
   67    HB   VAL  18           HB       VAL  18   2.159  -5.303  -4.252
   68   HG11  VAL  18          HG11      VAL  18   0.846  -5.526  -2.183
   69   HG12  VAL  18          HG12      VAL  18   2.182  -4.838  -1.231
   70   HG13  VAL  18          HG13      VAL  18   1.338  -3.858  -2.445
   71   HG21  VAL  18          HG21      VAL  18   4.547  -4.653  -4.091
   72   HG22  VAL  18          HG22      VAL  18   3.387  -3.366  -3.674
   73   HG23  VAL  18          HG23      VAL  18   4.292  -4.207  -2.395
   74    H    GLN  19           H        GLN  19   2.049  -7.784  -5.092
   75    HA   GLN  19           HA       GLN  19   4.557  -8.804  -6.315
   76    HB2  GLN  19           HB2      GLN  19   2.655 -10.266  -6.022
   77    HB3  GLN  19           HB3      GLN  19   1.622  -9.192  -6.970
   78    HG2  GLN  19           HG2      GLN  19   2.978  -9.696  -8.998
   79    HG3  GLN  19           HG3      GLN  19   4.036 -10.723  -8.014
   80   HE21  GLN  19          HE21      GLN  19   3.274 -12.807  -7.363
   81   HE22  GLN  19          HE22      GLN  19   1.660 -13.388  -7.706
   82    H    MET  20           H        MET  20   5.535  -6.815  -6.938
   83    HA   MET  20           HA       MET  20   4.898  -6.231  -9.716
   84    HB2  MET  20           HB2      MET  20   5.074  -3.745  -9.400
   85    HB3  MET  20           HB3      MET  20   3.584  -4.453  -8.763
   86    HG2  MET  20           HG2      MET  20   4.629  -4.449  -6.474
   87    HG3  MET  20           HG3      MET  20   6.029  -3.614  -7.162
   88    HE1  MET  20           HE1      MET  20   5.837  -1.332  -5.532
   89    HE2  MET  20           HE2      MET  20   4.206  -1.152  -4.818
   90    HE3  MET  20           HE3      MET  20   5.045  -2.738  -4.867
   91    H    THR  21           H        THR  21   6.714  -5.590 -10.870
   92    HA   THR  21           HA       THR  21   9.344  -5.558  -9.436
   93    HB   THR  21           HB       THR  21   8.736  -7.853  -9.800
   94    HG1  THR  21           HG1      THR  21  10.492  -8.481 -11.191
   95   HG21  THR  21          HG21      THR  21   8.627  -7.254 -12.773
   96   HG22  THR  21          HG22      THR  21   7.256  -7.692 -11.720
   97   HG23  THR  21          HG23      THR  21   8.541  -8.862 -12.003
   98    H    CYS  22           H        CYS  22   7.502  -4.126 -11.844
   99    HA   CYS  22           HA       CYS  22   9.933  -2.776 -12.805
  100    HB2  CYS  22           HB2      CYS  22   9.587  -3.003 -14.960
  101    HB3  CYS  22           HB3      CYS  22   8.858  -4.481 -14.470
  102    H    GLN  23           H        GLN  23   9.655  -0.629 -13.503
  103    HA   GLN  23           HA       GLN  23   8.696   0.849 -11.338
  104    HB2  GLN  23           HB2      GLN  23  10.649   1.265 -12.965
  105    HB3  GLN  23           HB3      GLN  23   9.456   1.951 -14.060
  106    HG2  GLN  23           HG2      GLN  23  10.426   3.793 -12.923
  107    HG3  GLN  23           HG3      GLN  23   8.841   3.584 -12.205
  108   HE21  GLN  23          HE21      GLN  23   9.212   4.382 -10.154
  109   HE22  GLN  23          HE22      GLN  23  10.436   3.757  -9.043
  110    H    SER  24           H        SER  24   7.146   0.523 -14.584
  111    HA   SER  24           HA       SER  24   5.182   2.555 -14.258
  112    HB2  SER  24           HB2      SER  24   4.979  -0.093 -15.754
  113    HB3  SER  24           HB3      SER  24   3.863   1.273 -15.934
  114    HG   SER  24           HG       SER  24   5.454   1.226 -17.526
  115    H    CYS  25           H        CYS  25   5.115  -0.768 -12.933
  116    HA   CYS  25           HA       CYS  25   2.361  -0.541 -12.067
  117    HB2  CYS  25           HB2      CYS  25   4.603  -2.403 -11.213
  118    HB3  CYS  25           HB3      CYS  25   2.883  -2.611 -10.878
  119    H    VAL  26           H        VAL  26   5.522   0.263 -10.691
  120    HA   VAL  26           HA       VAL  26   4.521   0.880  -8.025
  121    HB   VAL  26           HB       VAL  26   7.082   1.027  -9.558
  122   HG11  VAL  26          HG11      VAL  26   7.152   3.339  -8.735
  123   HG12  VAL  26          HG12      VAL  26   6.824   2.759  -7.076
  124   HG13  VAL  26          HG13      VAL  26   8.313   2.270  -7.939
  125   HG21  VAL  26          HG21      VAL  26   7.757   0.052  -7.336
  126   HG22  VAL  26          HG22      VAL  26   6.113   0.385  -6.781
  127   HG23  VAL  26          HG23      VAL  26   6.364  -0.768  -8.110
  128    H    ASP  27           H        ASP  27   5.139   2.909 -10.856
  129    HA   ASP  27           HA       ASP  27   3.988   5.312  -9.832
  130    HB2  ASP  27           HB2      ASP  27   5.152   4.492 -12.166
  131    HB3  ASP  27           HB3      ASP  27   3.473   4.300 -12.611
  132    H    ALA  28           H        ALA  28   2.536   2.278 -10.705
  133    HA   ALA  28           HA       ALA  28  -0.161   3.423 -11.121
  134    HB1  ALA  28           HB1      ALA  28   0.553   0.476 -11.040
  135    HB2  ALA  28           HB2      ALA  28  -0.916   1.223 -11.641
  136    HB3  ALA  28           HB3      ALA  28   0.614   1.496 -12.499
  137    H    VAL  29           H        VAL  29   1.273   1.139  -8.626
  138    HA   VAL  29           HA       VAL  29  -1.107   1.152  -7.121
  139    HB   VAL  29           HB       VAL  29   1.671   0.655  -5.990
  140   HG11  VAL  29          HG11      VAL  29  -0.363   0.758  -4.445
  141   HG12  VAL  29          HG12      VAL  29  -1.018  -0.614  -5.384
  142   HG13  VAL  29          HG13      VAL  29   0.492  -0.797  -4.464
  143   HG21  VAL  29          HG21      VAL  29  -0.179  -1.236  -7.541
  144   HG22  VAL  29          HG22      VAL  29   1.507  -0.854  -7.909
  145   HG23  VAL  29          HG23      VAL  29   1.136  -1.793  -6.485
  146    H    ARG  30           H        ARG  30   1.652   3.409  -7.110
  147    HA   ARG  30           HA       ARG  30   1.030   4.972  -4.792
  148    HB2  ARG  30           HB2      ARG  30   2.291   5.452  -7.572
  149    HB3  ARG  30           HB3      ARG  30   2.031   6.822  -6.498
  150    HG2  ARG  30           HG2      ARG  30   3.418   5.847  -4.760
  151    HG3  ARG  30           HG3      ARG  30   3.591   4.339  -5.672
  152    HD2  ARG  30           HD2      ARG  30   4.864   5.347  -7.384
  153    HD3  ARG  30           HD3      ARG  30   4.546   6.998  -6.794
  154    HE   ARG  30           HE       ARG  30   6.699   5.300  -6.096
  155   HH11  ARG  30          HH11      ARG  30   4.681   7.663  -4.389
  156   HH12  ARG  30          HH12      ARG  30   5.899   7.823  -3.147
  157   HH21  ARG  30          HH21      ARG  30   8.103   5.631  -4.579
  158   HH22  ARG  30          HH22      ARG  30   7.756   6.667  -3.193
  159    H    LYS  31           H        LYS  31  -0.435   5.062  -8.030
  160    HA   LYS  31           HA       LYS  31  -2.160   7.319  -7.204
  161    HB2  LYS  31           HB2      LYS  31  -1.638   6.062  -9.901
  162    HB3  LYS  31           HB3      LYS  31  -2.790   7.395  -9.586
  163    HG2  LYS  31           HG2      LYS  31  -0.929   8.578  -8.333
  164    HG3  LYS  31           HG3      LYS  31   0.196   7.356  -8.928
  165    HD2  LYS  31           HD2      LYS  31   0.009   8.171 -11.170
  166    HD3  LYS  31           HD3      LYS  31  -1.450   9.122 -10.757
  167    HE2  LYS  31           HE2      LYS  31  -0.198  10.472  -9.164
  168    HE3  LYS  31           HE3      LYS  31   1.275   9.535  -9.462
  169    HZ1  LYS  31           HZ1      LYS  31   1.092  11.689 -10.700
  170    HZ2  LYS  31           HZ2      LYS  31  -0.135  11.028 -11.598
  171    HZ3  LYS  31           HZ3      LYS  31   1.379  10.373 -11.668
  172    H    SER  32           H        SER  32  -2.554   3.914  -7.365
  173    HA   SER  32           HA       SER  32  -5.435   4.010  -6.868
  174    HB2  SER  32           HB2      SER  32  -3.891   1.918  -7.331
  175    HB3  SER  32           HB3      SER  32  -3.596   1.979  -5.579
  176    HG   SER  32           HG       SER  32  -5.855   1.735  -5.271
  177    H    LEU  33           H        LEU  33  -2.496   4.214  -4.850
  178    HA   LEU  33           HA       LEU  33  -3.787   4.474  -2.300
  179    HB2  LEU  33           HB2      LEU  33  -1.012   5.183  -3.339
  180    HB3  LEU  33           HB3      LEU  33  -1.475   5.295  -1.662
  181    HG   LEU  33           HG       LEU  33  -1.803   2.653  -3.124
  182   HD11  LEU  33          HD11      LEU  33   0.417   1.978  -2.452
  183   HD12  LEU  33          HD12      LEU  33   0.763   3.570  -1.738
  184   HD13  LEU  33          HD13      LEU  33   0.567   3.380  -3.488
  185   HD21  LEU  33          HD21      LEU  33  -2.752   2.931  -0.866
  186   HD22  LEU  33          HD22      LEU  33  -1.147   3.436  -0.277
  187   HD23  LEU  33          HD23      LEU  33  -1.394   1.783  -0.874
  188    H    GLN  34           H        GLN  34  -2.839   6.904  -4.678
  189    HA   GLN  34           HA       GLN  34  -3.232   9.201  -2.984
  190    HB2  GLN  34           HB2      GLN  34  -2.864   8.673  -5.895
  191    HB3  GLN  34           HB3      GLN  34  -3.403  10.251  -5.463
  192    HG2  GLN  34           HG2      GLN  34  -1.494  10.679  -4.057
  193    HG3  GLN  34           HG3      GLN  34  -1.036   8.982  -4.044
  194   HE21  GLN  34          HE21      GLN  34   0.914   8.858  -5.053
  195   HE22  GLN  34          HE22      GLN  34   1.305   9.641  -6.562
  196    H    GLY  35           H        GLY  35  -4.898  10.262  -2.447
  197    HA2  GLY  35           HA2      GLY  35  -7.077  11.042  -2.291
  198    HA3  GLY  35           HA3      GLY  35  -7.532  10.123  -3.722
  199    H    VAL  36           H        VAL  36  -6.084   8.247  -1.045
  200    HA   VAL  36           HA       VAL  36  -8.547   6.749  -0.888
  201    HB   VAL  36           HB       VAL  36  -5.817   6.393   0.321
  202   HG11  VAL  36          HG11      VAL  36  -7.355   5.593   2.078
  203   HG12  VAL  36          HG12      VAL  36  -8.274   4.664   0.870
  204   HG13  VAL  36          HG13      VAL  36  -6.594   4.234   1.259
  205   HG21  VAL  36          HG21      VAL  36  -7.528   4.681  -1.536
  206   HG22  VAL  36          HG22      VAL  36  -6.219   5.760  -2.053
  207   HG23  VAL  36          HG23      VAL  36  -5.855   4.355  -1.039
  208    H    ALA  37           H        ALA  37 -10.045   6.835   0.489
  209    HA   ALA  37           HA       ALA  37 -10.315   8.847   2.554
  210    HB1  ALA  37           HB1      ALA  37 -12.409   7.639   3.080
  211    HB2  ALA  37           HB2      ALA  37 -12.240   7.963   1.342
  212    HB3  ALA  37           HB3      ALA  37 -11.932   6.335   1.970
  213    H    GLY  38           H        GLY  38  -9.096   8.835   4.327
  214    HA2  GLY  38           HA2      GLY  38  -8.649   8.032   6.535
  215    HA3  GLY  38           HA3      GLY  38  -8.729   6.370   5.961
  216    H    VAL  39           H        VAL  39  -6.896   8.121   3.666
  217    HA   VAL  39           HA       VAL  39  -4.350   7.214   4.891
  218    HB   VAL  39           HB       VAL  39  -5.163   6.867   2.428
  219   HG11  VAL  39          HG11      VAL  39  -4.419   8.413   0.791
  220   HG12  VAL  39          HG12      VAL  39  -5.414   9.340   1.924
  221   HG13  VAL  39          HG13      VAL  39  -3.649   9.460   1.993
  222   HG21  VAL  39          HG21      VAL  39  -2.288   7.658   3.047
  223   HG22  VAL  39          HG22      VAL  39  -3.021   6.070   3.350
  224   HG23  VAL  39          HG23      VAL  39  -2.839   6.661   1.692
  225    H    GLN  40           H        GLN  40  -2.600   8.605   5.360
  226    HA   GLN  40           HA       GLN  40  -3.020  11.538   4.913
  227    HB2  GLN  40           HB2      GLN  40  -1.442   9.974   6.970
  228    HB3  GLN  40           HB3      GLN  40  -0.975  11.592   6.493
  229    HG2  GLN  40           HG2      GLN  40  -3.269  12.419   7.027
  230    HG3  GLN  40           HG3      GLN  40  -3.644  10.813   7.648
  231   HE21  GLN  40          HE21      GLN  40  -4.096  12.439   9.559
  232   HE22  GLN  40          HE22      GLN  40  -2.738  12.608  10.683
  233    H    ASP  41           H        ASP  41  -0.640   8.844   4.616
  234    HA   ASP  41           HA       ASP  41   0.753  10.192   2.400
  235    HB2  ASP  41           HB2      ASP  41   1.919   9.724   5.177
  236    HB3  ASP  41           HB3      ASP  41   2.924   9.917   3.775
  237    H    VAL  42           H        VAL  42   2.560   8.864   1.676
  238    HA   VAL  42           HA       VAL  42   2.539   5.966   2.295
  239    HB   VAL  42           HB       VAL  42   2.536   5.392  -0.103
  240   HG11  VAL  42          HG11      VAL  42  -0.042   6.761   0.718
  241   HG12  VAL  42          HG12      VAL  42   0.192   5.401  -0.396
  242   HG13  VAL  42          HG13      VAL  42   0.515   5.181   1.319
  243   HG21  VAL  42          HG21      VAL  42   3.076   7.634  -1.096
  244   HG22  VAL  42          HG22      VAL  42   1.672   6.842  -1.824
  245   HG23  VAL  42          HG23      VAL  42   1.432   8.161  -0.673
  246    H    GLU  43           H        GLU  43   4.425   4.798   1.383
  247    HA   GLU  43           HA       GLU  43   6.252   6.309  -0.326
  248    HB2  GLU  43           HB2      GLU  43   7.284   6.496   1.826
  249    HB3  GLU  43           HB3      GLU  43   7.098   4.762   2.110
  250    HG2  GLU  43           HG2      GLU  43   9.207   5.112   1.495
  251    HG3  GLU  43           HG3      GLU  43   8.561   4.319   0.098
  252    H    VAL  44           H        VAL  44   7.140   4.878  -1.937
  253    HA   VAL  44           HA       VAL  44   6.195   2.043  -1.793
  254    HB   VAL  44           HB       VAL  44   5.993   3.749  -4.281
  255   HG11  VAL  44          HG11      VAL  44   4.941   1.817  -5.291
  256   HG12  VAL  44          HG12      VAL  44   6.603   1.436  -4.828
  257   HG13  VAL  44          HG13      VAL  44   5.255   0.840  -3.824
  258   HG21  VAL  44          HG21      VAL  44   4.107   2.671  -2.203
  259   HG22  VAL  44          HG22      VAL  44   4.163   4.301  -2.872
  260   HG23  VAL  44          HG23      VAL  44   3.506   2.962  -3.853
  261    H    HIS  45           H        HIS  45   7.537   0.590  -2.125
  262    HA   HIS  45           HA       HIS  45  10.340   1.360  -2.853
  263    HB2  HIS  45           HB2      HIS  45   9.126  -0.593  -0.930
  264    HB3  HIS  45           HB3      HIS  45  10.808  -0.733  -1.459
  265    HD1  HIS  45           HD1      HIS  45  12.588   0.691  -0.238
  266    HD2  HIS  45           HD2      HIS  45   8.594   1.720   0.615
  267    HE1  HIS  45           HE1      HIS  45  12.674   2.435   1.611
  268    H    LEU  46           H        LEU  46  10.355   0.940  -4.998
  269    HA   LEU  46           HA       LEU  46   9.315  -1.389  -6.328
  270    HB2  LEU  46           HB2      LEU  46   9.925   0.885  -7.238
  271    HB3  LEU  46           HB3      LEU  46  11.598   0.529  -7.021
  272    HG   LEU  46           HG       LEU  46  10.499   0.372  -9.361
  273   HD11  LEU  46          HD11      LEU  46  12.295  -1.879  -8.431
  274   HD12  LEU  46          HD12      LEU  46  12.800  -0.217  -8.839
  275   HD13  LEU  46          HD13      LEU  46  12.107  -1.257 -10.087
  276   HD21  LEU  46          HD21      LEU  46   9.743  -2.409  -8.398
  277   HD22  LEU  46          HD22      LEU  46   9.803  -1.871 -10.080
  278   HD23  LEU  46          HD23      LEU  46   8.648  -1.128  -8.985
  279    H    GLU  47           H        GLU  47  12.391  -0.592  -4.787
  280    HA   GLU  47           HA       GLU  47  13.686  -3.031  -5.788
  281    HB2  GLU  47           HB2      GLU  47  14.761  -0.901  -3.910
  282    HB3  GLU  47           HB3      GLU  47  15.684  -2.243  -4.608
  283    HG2  GLU  47           HG2      GLU  47  14.938  -1.391  -6.917
  284    HG3  GLU  47           HG3      GLU  47  14.390   0.073  -6.101
  285    H    ASP  48           H        ASP  48  11.746  -2.484  -3.024
  286    HA   ASP  48           HA       ASP  48  12.611  -5.089  -1.869
  287    HB2  ASP  48           HB2      ASP  48  11.708  -2.498  -0.676
  288    HB3  ASP  48           HB3      ASP  48  10.886  -3.847  -0.073
  289    H    GLN  49           H        GLN  49  10.396  -3.889  -4.009
  290    HA   GLN  49           HA       GLN  49   8.236  -4.198  -4.585
  291    HB2  GLN  49           HB2      GLN  49   8.511  -7.030  -3.587
  292    HB3  GLN  49           HB3      GLN  49   7.414  -6.399  -4.806
  293    HG2  GLN  49           HG2      GLN  49   9.038  -7.420  -6.152
  294    HG3  GLN  49           HG3      GLN  49   9.399  -5.710  -6.219
  295   HE21  GLN  49          HE21      GLN  49  11.559  -5.256  -6.115
  296   HE22  GLN  49          HE22      GLN  49  12.737  -6.333  -5.363
  297    H    MET  50           H        MET  50   8.280  -2.789  -2.444
  298    HA   MET  50           HA       MET  50   6.283  -3.923  -0.572
  299    HB2  MET  50           HB2      MET  50   8.393  -4.187   0.469
  300    HB3  MET  50           HB3      MET  50   8.910  -2.555   0.066
  301    HG2  MET  50           HG2      MET  50   7.612  -1.548   1.711
  302    HG3  MET  50           HG3      MET  50   6.505  -2.908   1.850
  303    HE1  MET  50           HE1      MET  50   8.039  -5.444   2.269
  304    HE2  MET  50           HE2      MET  50   8.099  -5.468   4.044
  305    HE3  MET  50           HE3      MET  50   6.632  -4.889   3.230
  306    H    VAL  51           H        VAL  51   5.028  -2.394   0.626
  307    HA   VAL  51           HA       VAL  51   4.953   0.412  -0.396
  308    HB   VAL  51           HB       VAL  51   2.393  -1.006   0.368
  309   HG11  VAL  51          HG11      VAL  51   3.009   0.946  -1.844
  310   HG12  VAL  51          HG12      VAL  51   1.440   0.636  -1.050
  311   HG13  VAL  51          HG13      VAL  51   2.715   1.516  -0.179
  312   HG21  VAL  51          HG21      VAL  51   1.956  -1.545  -2.022
  313   HG22  VAL  51          HG22      VAL  51   3.684  -1.288  -2.363
  314   HG23  VAL  51          HG23      VAL  51   3.162  -2.576  -1.245
  315    H    LEU  52           H        LEU  52   4.798   1.924   1.186
  316    HA   LEU  52           HA       LEU  52   3.980   1.117   3.950
  317    HB2  LEU  52           HB2      LEU  52   5.652   3.463   2.981
  318    HB3  LEU  52           HB3      LEU  52   4.872   3.421   4.544
  319    HG   LEU  52           HG       LEU  52   6.203   1.243   4.991
  320   HD11  LEU  52          HD11      LEU  52   7.800   2.303   2.640
  321   HD12  LEU  52          HD12      LEU  52   6.996   0.714   2.739
  322   HD13  LEU  52          HD13      LEU  52   8.369   1.071   3.785
  323   HD21  LEU  52          HD21      LEU  52   8.194   2.517   5.684
  324   HD22  LEU  52          HD22      LEU  52   6.728   3.450   6.008
  325   HD23  LEU  52          HD23      LEU  52   7.733   3.855   4.605
  326    H    VAL  53           H        VAL  53   2.144   1.877   4.670
  327    HA   VAL  53           HA       VAL  53   0.795   4.115   3.224
  328    HB   VAL  53           HB       VAL  53  -0.565   1.554   4.128
  329   HG11  VAL  53          HG11      VAL  53  -1.995   3.613   4.126
  330   HG12  VAL  53          HG12      VAL  53  -1.539   3.921   2.440
  331   HG13  VAL  53          HG13      VAL  53  -2.494   2.485   2.863
  332   HG21  VAL  53          HG21      VAL  53  -0.920   1.129   1.680
  333   HG22  VAL  53          HG22      VAL  53   0.261   2.418   1.335
  334   HG23  VAL  53          HG23      VAL  53   0.753   0.952   2.206
  335    H    HIS  54           H        HIS  54   0.745   5.693   4.618
  336    HA   HIS  54           HA       HIS  54   0.525   5.293   7.530
  337    HB2  HIS  54           HB2      HIS  54   0.666   7.890   5.946
  338    HB3  HIS  54           HB3      HIS  54   0.969   7.671   7.632
  339    HD1  HIS  54           HD1      HIS  54   3.431   8.028   8.108
  340    HD2  HIS  54           HD2      HIS  54   2.722   6.118   4.441
  341    HE1  HIS  54           HE1      HIS  54   5.718   7.560   7.085
  342    H    THR  55           H        THR  55  -1.601   4.651   8.047
  343    HA   THR  55           HA       THR  55  -3.811   6.419   7.192
  344    HB   THR  55           HB       THR  55  -3.523   4.828   5.361
  345    HG1  THR  55           HG1      THR  55  -5.670   5.353   6.116
  346   HG21  THR  55          HG21      THR  55  -4.037   2.566   7.348
  347   HG22  THR  55          HG22      THR  55  -2.469   2.910   6.589
  348   HG23  THR  55          HG23      THR  55  -3.846   2.425   5.590
  349    H    THR  56           H        THR  56  -5.905   6.066   8.170
  350    HA   THR  56           HA       THR  56  -5.817   4.928  10.887
  351    HB   THR  56           HB       THR  56  -7.911   6.018  11.283
  352    HG1  THR  56           HG1      THR  56  -8.854   7.206   9.456
  353   HG21  THR  56          HG21      THR  56  -6.486   8.055   9.576
  354   HG22  THR  56          HG22      THR  56  -5.813   7.487  11.124
  355   HG23  THR  56          HG23      THR  56  -7.398   8.272  11.080
  356    H    LEU  57           H        LEU  57  -6.495   3.597   7.927
  357    HA   LEU  57           HA       LEU  57  -8.928   2.161   8.499
  358    HB2  LEU  57           HB2      LEU  57  -6.752   1.824   6.395
  359    HB3  LEU  57           HB3      LEU  57  -8.272   0.954   6.349
  360    HG   LEU  57           HG       LEU  57  -7.859   3.956   6.031
  361   HD11  LEU  57          HD11      LEU  57  -9.019   1.817   4.196
  362   HD12  LEU  57          HD12      LEU  57  -7.372   2.485   4.095
  363   HD13  LEU  57          HD13      LEU  57  -8.762   3.528   3.800
  364   HD21  LEU  57          HD21      LEU  57 -10.325   4.074   5.631
  365   HD22  LEU  57          HD22      LEU  57  -9.890   3.777   7.305
  366   HD23  LEU  57          HD23      LEU  57 -10.474   2.434   6.301
  367    HA   PRO  58           HA       PRO  58  -7.211  -1.653  10.242
  368    HB2  PRO  58           HB2      PRO  58  -9.199  -3.251   8.723
  369    HB3  PRO  58           HB3      PRO  58  -9.071  -3.064  10.486
  370    HG2  PRO  58           HG2      PRO  58 -11.128  -1.936   9.058
  371    HG3  PRO  58           HG3      PRO  58 -10.373  -1.037  10.422
  372    HD2  PRO  58           HD2      PRO  58  -9.634  -0.883   7.488
  373    HD3  PRO  58           HD3      PRO  58 -10.183   0.454   8.475
  374    H    SER  59           H        SER  59  -5.601  -3.178   9.439
  375    HA   SER  59           HA       SER  59  -4.623  -2.814   6.849
  376    HB2  SER  59           HB2      SER  59  -4.031  -5.491   7.966
  377    HB3  SER  59           HB3      SER  59  -2.984  -4.199   7.337
  378    HG   SER  59           HG       SER  59  -3.998  -4.633   9.932
  379    H    GLN  60           H        GLN  60  -7.067  -5.069   7.877
  380    HA   GLN  60           HA       GLN  60  -7.383  -6.789   5.666
  381    HB2  GLN  60           HB2      GLN  60  -9.542  -5.474   7.392
  382    HB3  GLN  60           HB3      GLN  60  -9.718  -6.908   6.398
  383    HG2  GLN  60           HG2      GLN  60  -9.512  -7.890   8.421
  384    HG3  GLN  60           HG3      GLN  60  -7.822  -7.915   7.967
  385   HE21  GLN  60          HE21      GLN  60  -9.345  -7.808  10.663
  386   HE22  GLN  60          HE22      GLN  60  -8.449  -6.539  11.478
  387    H    GLU  61           H        GLU  61  -8.405  -3.387   6.075
  388    HA   GLU  61           HA       GLU  61 -10.079  -3.329   3.657
  389    HB2  GLU  61           HB2      GLU  61 -10.481  -2.072   5.849
  390    HB3  GLU  61           HB3      GLU  61  -9.119  -1.019   5.387
  391    HG2  GLU  61           HG2      GLU  61 -10.280  -0.418   3.319
  392    HG3  GLU  61           HG3      GLU  61 -11.628  -1.489   3.790
  393    H    VAL  62           H        VAL  62  -6.860  -2.124   4.677
  394    HA   VAL  62           HA       VAL  62  -6.255  -0.819   2.219
  395    HB   VAL  62           HB       VAL  62  -4.161  -2.007   4.055
  396   HG11  VAL  62          HG11      VAL  62  -3.498  -0.766   1.982
  397   HG12  VAL  62          HG12      VAL  62  -4.361   0.657   2.594
  398   HG13  VAL  62          HG13      VAL  62  -2.931   0.033   3.454
  399   HG21  VAL  62          HG21      VAL  62  -5.808   0.426   4.741
  400   HG22  VAL  62          HG22      VAL  62  -5.519  -1.048   5.712
  401   HG23  VAL  62          HG23      VAL  62  -4.207   0.062   5.432
  402    H    GLN  63           H        GLN  63  -5.665  -4.155   3.409
  403    HA   GLN  63           HA       GLN  63  -4.157  -5.177   1.198
  404    HB2  GLN  63           HB2      GLN  63  -4.533  -6.441   3.269
  405    HB3  GLN  63           HB3      GLN  63  -6.252  -6.473   2.967
  406    HG2  GLN  63           HG2      GLN  63  -5.705  -7.712   0.760
  407    HG3  GLN  63           HG3      GLN  63  -4.050  -7.867   1.389
  408   HE21  GLN  63          HE21      GLN  63  -5.681 -10.040   0.672
  409   HE22  GLN  63          HE22      GLN  63  -6.025 -10.969   2.132
  410    H    ALA  64           H        ALA  64  -7.761  -4.694   1.478
  411    HA   ALA  64           HA       ALA  64  -8.125  -5.946  -1.140
  412    HB1  ALA  64           HB1      ALA  64 -10.488  -5.285  -0.784
  413    HB2  ALA  64           HB2      ALA  64  -9.831  -6.106   0.645
  414    HB3  ALA  64           HB3      ALA  64 -10.024  -4.337   0.646
  415    H    LEU  65           H        LEU  65  -7.647  -2.632   0.107
  416    HA   LEU  65           HA       LEU  65  -8.292  -1.244  -2.270
  417    HB2  LEU  65           HB2      LEU  65  -6.561  -0.595   0.092
  418    HB3  LEU  65           HB3      LEU  65  -6.678   0.486  -1.272
  419    HG   LEU  65           HG       LEU  65  -9.142  -0.487   0.219
  420   HD11  LEU  65          HD11      LEU  65  -7.777   0.689   1.830
  421   HD12  LEU  65          HD12      LEU  65  -9.114   1.731   1.344
  422   HD13  LEU  65          HD13      LEU  65  -7.490   2.015   0.674
  423   HD21  LEU  65          HD21      LEU  65  -8.649   1.938  -1.575
  424   HD22  LEU  65          HD22      LEU  65 -10.180   1.528  -0.773
  425   HD23  LEU  65          HD23      LEU  65  -9.544   0.484  -2.046
  426    H    LEU  66           H        LEU  66  -5.241  -2.546  -1.053
  427    HA   LEU  66           HA       LEU  66  -3.550  -1.904  -3.285
  428    HB2  LEU  66           HB2      LEU  66  -3.408  -3.945  -1.027
  429    HB3  LEU  66           HB3      LEU  66  -2.091  -3.695  -2.160
  430    HG   LEU  66           HG       LEU  66  -3.175  -1.345  -0.559
  431   HD11  LEU  66          HD11      LEU  66  -2.654  -3.057   1.115
  432   HD12  LEU  66          HD12      LEU  66  -1.431  -1.795   1.133
  433   HD13  LEU  66          HD13      LEU  66  -1.073  -3.353   0.351
  434   HD21  LEU  66          HD21      LEU  66  -0.451  -2.004  -1.751
  435   HD22  LEU  66          HD22      LEU  66  -0.863  -0.534  -0.846
  436   HD23  LEU  66          HD23      LEU  66  -1.633  -0.850  -2.410
  437    H    GLU  67           H        GLU  67  -5.276  -4.934  -2.407
  438    HA   GLU  67           HA       GLU  67  -4.552  -6.549  -4.622
  439    HB2  GLU  67           HB2      GLU  67  -6.925  -6.335  -2.763
  440    HB3  GLU  67           HB3      GLU  67  -6.974  -7.504  -4.035
  441    HG2  GLU  67           HG2      GLU  67  -4.814  -8.477  -3.216
  442    HG3  GLU  67           HG3      GLU  67  -4.809  -7.368  -1.891
  443    H    GLY  68           H        GLY  68  -7.055  -4.041  -4.393
  444    HA2  GLY  68           HA2      GLY  68  -8.279  -4.418  -6.945
  445    HA3  GLY  68           HA3      GLY  68  -8.270  -2.937  -5.996
  446    H    THR  69           H        THR  69  -5.056  -3.389  -6.368
  447    HA   THR  69           HA       THR  69  -4.796  -1.903  -8.903
  448    HB   THR  69           HB       THR  69  -2.450  -1.698  -8.466
  449    HG1  THR  69           HG1      THR  69  -2.888  -3.223  -6.124
  450   HG21  THR  69          HG21      THR  69  -2.645  -0.220  -6.715
  451   HG22  THR  69          HG22      THR  69  -3.901  -1.167  -5.875
  452   HG23  THR  69          HG23      THR  69  -4.261  -0.305  -7.389
  453    H    GLY  70           H        GLY  70  -5.411  -5.066  -8.338
  454    HA2  GLY  70           HA2      GLY  70  -5.663  -6.666 -10.011
  455    HA3  GLY  70           HA3      GLY  70  -4.614  -5.741 -11.084
  456    H    ARG  71           H        ARG  71  -3.527  -6.576  -7.868
  457    HA   ARG  71           HA       ARG  71  -1.831  -8.818  -8.741
  458    HB2  ARG  71           HB2      ARG  71   0.221  -7.577  -8.006
  459    HB3  ARG  71           HB3      ARG  71  -0.550  -6.992  -9.469
  460    HG2  ARG  71           HG2      ARG  71  -1.667  -5.175  -8.030
  461    HG3  ARG  71           HG3      ARG  71  -0.637  -5.702  -6.712
  462    HD2  ARG  71           HD2      ARG  71   0.319  -3.770  -7.778
  463    HD3  ARG  71           HD3      ARG  71   1.351  -5.143  -8.127
  464    HE   ARG  71           HE       ARG  71  -0.430  -3.661 -10.017
  465   HH11  ARG  71          HH11      ARG  71   1.965  -6.265  -9.775
  466   HH12  ARG  71          HH12      ARG  71   2.213  -6.258 -11.502
  467   HH21  ARG  71          HH21      ARG  71  -0.017  -3.693 -12.076
  468   HH22  ARG  71          HH22      ARG  71   1.133  -4.783 -12.803
  469    H    GLN  72           H        GLN  72  -0.322  -9.374  -6.789
  470    HA   GLN  72           HA       GLN  72  -2.053  -9.955  -4.520
  471    HB2  GLN  72           HB2      GLN  72  -0.243 -11.446  -5.668
  472    HB3  GLN  72           HB3      GLN  72   0.895 -10.584  -4.642
  473    HG2  GLN  72           HG2      GLN  72   0.452 -12.491  -3.416
  474    HG3  GLN  72           HG3      GLN  72  -0.695 -11.383  -2.683
  475   HE21  GLN  72          HE21      GLN  72  -3.000 -11.841  -2.993
  476   HE22  GLN  72          HE22      GLN  72  -3.502 -13.329  -3.785
  477    H    ALA  73           H        ALA  73  -1.598  -9.527  -2.457
  478    HA   ALA  73           HA       ALA  73   0.393  -7.556  -1.550
  479    HB1  ALA  73           HB1      ALA  73  -1.486  -6.126  -2.390
  480    HB2  ALA  73           HB2      ALA  73  -2.593  -6.954  -1.276
  481    HB3  ALA  73           HB3      ALA  73  -1.261  -5.975  -0.633
  482    H    VAL  74           H        VAL  74   1.139  -8.146   0.378
  483    HA   VAL  74           HA       VAL  74  -0.584  -9.594   2.356
  484    HB   VAL  74           HB       VAL  74   2.231 -10.310   1.434
  485   HG11  VAL  74          HG11      VAL  74   0.583 -11.474   3.725
  486   HG12  VAL  74          HG12      VAL  74   2.078 -12.183   3.076
  487   HG13  VAL  74          HG13      VAL  74   2.139 -10.610   3.864
  488   HG21  VAL  74          HG21      VAL  74   0.556 -11.212  -0.062
  489   HG22  VAL  74          HG22      VAL  74   1.143 -12.524   0.958
  490   HG23  VAL  74          HG23      VAL  74  -0.434 -11.781   1.305
  491    H    LEU  75           H        LEU  75  -0.473  -8.730   4.345
  492    HA   LEU  75           HA       LEU  75   1.343  -6.456   4.817
  493    HB2  LEU  75           HB2      LEU  75  -1.031  -6.414   5.452
  494    HB3  LEU  75           HB3      LEU  75  -0.829  -7.770   6.489
  495    HG   LEU  75           HG       LEU  75  -1.022  -5.456   7.467
  496   HD11  LEU  75          HD11      LEU  75  -0.506  -7.291   8.849
  497   HD12  LEU  75          HD12      LEU  75   0.370  -5.849   9.371
  498   HD13  LEU  75          HD13      LEU  75   1.222  -7.144   8.492
  499   HD21  LEU  75          HD21      LEU  75   0.641  -3.934   7.745
  500   HD22  LEU  75          HD22      LEU  75   0.562  -4.282   6.011
  501   HD23  LEU  75          HD23      LEU  75   1.847  -4.989   7.011
  502    H    LYS  76           H        LYS  76   3.019  -6.384   5.859
  503    HA   LYS  76           HA       LYS  76   4.279  -8.834   7.071
  504    HB2  LYS  76           HB2      LYS  76   5.528  -6.203   6.173
  505    HB3  LYS  76           HB3      LYS  76   6.404  -7.569   6.822
  506    HG2  LYS  76           HG2      LYS  76   4.770  -7.613   4.241
  507    HG3  LYS  76           HG3      LYS  76   6.509  -7.388   4.340
  508    HD2  LYS  76           HD2      LYS  76   5.001  -9.904   5.176
  509    HD3  LYS  76           HD3      LYS  76   5.923  -9.664   3.695
  510    HE2  LYS  76           HE2      LYS  76   7.962  -9.173   5.186
  511    HE3  LYS  76           HE3      LYS  76   7.003  -9.785   6.541
  512    HZ1  LYS  76           HZ1      LYS  76   6.721 -11.864   5.223
  513    HZ2  LYS  76           HZ2      LYS  76   8.304 -11.578   5.568
  514    HZ3  LYS  76           HZ3      LYS  76   7.715 -11.264   4.067
  515    H    GLY  77           H        GLY  77   3.241  -5.591   7.910
  516    HA2  GLY  77           HA2      GLY  77   2.534  -5.778  10.421
  517    HA3  GLY  77           HA3      GLY  77   4.290  -5.795  10.661
  518    H    MET  78           H        MET  78   4.474  -3.769  11.630
  519    HA   MET  78           HA       MET  78   3.419  -1.428  10.161
  520    HB2  MET  78           HB2      MET  78   3.335  -2.140  13.117
  521    HB3  MET  78           HB3      MET  78   3.070  -0.538  12.493
  522    HG2  MET  78           HG2      MET  78   0.908  -1.325  12.660
  523    HG3  MET  78           HG3      MET  78   1.288  -1.566  10.960
  524    HE1  MET  78           HE1      MET  78  -0.604  -3.154  10.432
  525    HE2  MET  78           HE2      MET  78  -1.134  -4.492  11.473
  526    HE3  MET  78           HE3      MET  78  -1.234  -2.814  12.061
  527    H    GLY  79           H        GLY  79   4.330   0.636  10.866
  528    HA2  GLY  79           HA2      GLY  79   7.136   0.843  10.624
  529    HA3  GLY  79           HA3      GLY  79   6.040   2.125  11.215
  Start of MODEL   17
    1    H    GLY   9           H        GLY   9  -9.198   3.066  11.803
    2    HA2  GLY   9           HA2      GLY   9  -9.397   3.182  14.757
    3    HA3  GLY   9           HA3      GLY   9  -8.049   2.614  13.789
    4    H    THR  10           H        THR  10  -6.498   3.784  14.656
    5    HA   THR  10           HA       THR  10  -6.475   6.720  14.252
    6    HB   THR  10           HB       THR  10  -6.390   6.219  16.615
    7    HG1  THR  10           HG1      THR  10  -4.783   7.444  17.071
    8   HG21  THR  10          HG21      THR  10  -4.481   5.027  17.634
    9   HG22  THR  10          HG22      THR  10  -3.882   4.588  16.019
   10   HG23  THR  10          HG23      THR  10  -5.434   3.948  16.607
   11    H    LEU  11           H        LEU  11  -4.326   7.554  13.803
   12    HA   LEU  11           HA       LEU  11  -3.470   6.334  11.366
   13    HB2  LEU  11           HB2      LEU  11  -3.436   8.876  12.290
   14    HB3  LEU  11           HB3      LEU  11  -1.789   8.393  12.694
   15    HG   LEU  11           HG       LEU  11  -1.889   9.680  10.686
   16   HD11  LEU  11          HD11      LEU  11  -1.095   6.883   9.852
   17   HD12  LEU  11          HD12      LEU  11  -0.116   7.922  10.923
   18   HD13  LEU  11          HD13      LEU  11  -0.481   8.449   9.276
   19   HD21  LEU  11          HD21      LEU  11  -3.609   7.485   9.556
   20   HD22  LEU  11          HD22      LEU  11  -2.777   8.680   8.561
   21   HD23  LEU  11          HD23      LEU  11  -4.004   9.199   9.742
   22    H    CYS  12           H        CYS  12  -1.948   5.057  10.888
   23    HA   CYS  12           HA       CYS  12   0.465   4.482  12.493
   24    HB2  CYS  12           HB2      CYS  12  -1.769   2.509  11.867
   25    HB3  CYS  12           HB3      CYS  12  -0.109   1.963  12.152
   26    HG   CYS  12           HG       CYS  12  -1.623   1.581  14.275
   27    H    THR  13           H        THR  13   2.106   3.492  11.222
   28    HA   THR  13           HA       THR  13   1.761   3.489   8.267
   29    HB   THR  13           HB       THR  13   4.185   2.576   9.845
   30    HG1  THR  13           HG1      THR  13   3.650   4.665  10.432
   31   HG21  THR  13          HG21      THR  13   4.206   1.949   7.478
   32   HG22  THR  13          HG22      THR  13   5.331   3.296   7.742
   33   HG23  THR  13          HG23      THR  13   3.753   3.611   7.002
   34    H    LEU  14           H        LEU  14   1.073   1.755   7.198
   35    HA   LEU  14           HA       LEU  14   1.472  -1.002   8.327
   36    HB2  LEU  14           HB2      LEU  14  -0.475   0.223   6.382
   37    HB3  LEU  14           HB3      LEU  14  -0.095  -1.493   6.330
   38    HG   LEU  14           HG       LEU  14  -1.121  -2.006   8.316
   39   HD11  LEU  14          HD11      LEU  14  -0.161  -0.414   9.871
   40   HD12  LEU  14          HD12      LEU  14  -1.909  -0.468  10.037
   41   HD13  LEU  14          HD13      LEU  14  -1.155   0.901   9.185
   42   HD21  LEU  14          HD21      LEU  14  -2.717   0.378   7.293
   43   HD22  LEU  14          HD22      LEU  14  -3.353  -0.988   8.225
   44   HD23  LEU  14          HD23      LEU  14  -2.741  -1.253   6.583
   45    H    GLU  15           H        GLU  15   3.047  -2.178   7.539
   46    HA   GLU  15           HA       GLU  15   4.535  -1.307   5.094
   47    HB2  GLU  15           HB2      GLU  15   5.324  -2.898   7.571
   48    HB3  GLU  15           HB3      GLU  15   6.313  -2.831   6.095
   49    HG2  GLU  15           HG2      GLU  15   6.288  -0.311   6.278
   50    HG3  GLU  15           HG3      GLU  15   5.521  -0.476   7.853
   51    H    PHE  16           H        PHE  16   3.413  -2.261   3.405
   52    HA   PHE  16           HA       PHE  16   2.762  -5.174   3.593
   53    HB2  PHE  16           HB2      PHE  16   1.837  -2.971   1.709
   54    HB3  PHE  16           HB3      PHE  16   1.503  -4.673   1.456
   55    HD1  PHE  16           HD2      PHE  16   0.630  -1.793   3.568
   56    HD2  PHE  16           HD1      PHE  16  -0.068  -5.949   2.671
   57    HE1  PHE  16           HE2      PHE  16  -1.609  -1.648   4.627
   58    HE2  PHE  16           HE1      PHE  16  -2.336  -5.793   3.686
   59    HZ   PHE  16           HZ       PHE  16  -3.116  -3.641   4.636
   60    H    ALA  17           H        ALA  17   3.311  -6.624   2.126
   61    HA   ALA  17           HA       ALA  17   5.453  -5.980   0.112
   62    HB1  ALA  17           HB1      ALA  17   6.103  -7.616   1.815
   63    HB2  ALA  17           HB2      ALA  17   4.693  -8.625   1.413
   64    HB3  ALA  17           HB3      ALA  17   5.983  -8.378   0.217
   65    H    VAL  18           H        VAL  18   5.000  -6.144  -2.042
   66    HA   VAL  18           HA       VAL  18   2.415  -7.376  -2.961
   67    HB   VAL  18           HB       VAL  18   2.173  -5.287  -4.411
   68   HG11  VAL  18          HG11      VAL  18   1.179  -3.892  -2.663
   69   HG12  VAL  18          HG12      VAL  18   0.756  -5.584  -2.396
   70   HG13  VAL  18          HG13      VAL  18   2.011  -4.806  -1.395
   71   HG21  VAL  18          HG21      VAL  18   4.151  -4.139  -2.457
   72   HG22  VAL  18          HG22      VAL  18   4.464  -4.486  -4.165
   73   HG23  VAL  18          HG23      VAL  18   3.219  -3.289  -3.716
   74    H    GLN  19           H        GLN  19   2.288  -7.782  -5.303
   75    HA   GLN  19           HA       GLN  19   4.983  -8.437  -6.388
   76    HB2  GLN  19           HB2      GLN  19   2.176  -9.251  -7.121
   77    HB3  GLN  19           HB3      GLN  19   3.578  -9.650  -8.132
   78    HG2  GLN  19           HG2      GLN  19   4.622 -10.928  -6.380
   79    HG3  GLN  19           HG3      GLN  19   3.425 -10.412  -5.192
   80   HE21  GLN  19          HE21      GLN  19   3.733 -13.052  -5.281
   81   HE22  GLN  19          HE22      GLN  19   2.271 -13.746  -6.026
   82    H    MET  20           H        MET  20   5.813  -6.404  -6.996
   83    HA   MET  20           HA       MET  20   5.231  -5.813  -9.799
   84    HB2  MET  20           HB2      MET  20   5.201  -3.327  -9.364
   85    HB3  MET  20           HB3      MET  20   3.740  -4.182  -8.857
   86    HG2  MET  20           HG2      MET  20   4.484  -4.140  -6.521
   87    HG3  MET  20           HG3      MET  20   6.007  -3.378  -6.996
   88    HE1  MET  20           HE1      MET  20   4.781  -2.444  -4.821
   89    HE2  MET  20           HE2      MET  20   5.816  -1.147  -5.399
   90    HE3  MET  20           HE3      MET  20   4.137  -0.771  -4.863
   91    H    THR  21           H        THR  21   7.100  -5.108 -10.912
   92    HA   THR  21           HA       THR  21   9.544  -4.479  -9.340
   93    HB   THR  21           HB       THR  21   9.291  -6.942  -9.535
   94    HG1  THR  21           HG1      THR  21  11.300  -5.958  -9.226
   95   HG21  THR  21          HG21      THR  21   9.844  -8.073 -11.601
   96   HG22  THR  21          HG22      THR  21   9.983  -6.530 -12.472
   97   HG23  THR  21          HG23      THR  21   8.406  -7.072 -11.853
   98    H    CYS  22           H        CYS  22   7.812  -3.801 -12.254
   99    HA   CYS  22           HA       CYS  22  10.138  -2.150 -13.074
  100    HB2  CYS  22           HB2      CYS  22   9.807  -2.529 -15.324
  101    HB3  CYS  22           HB3      CYS  22   9.761  -4.081 -14.541
  102    H    GLN  23           H        GLN  23   9.727  -0.128 -14.092
  103    HA   GLN  23           HA       GLN  23   8.559   1.476 -12.244
  104    HB2  GLN  23           HB2      GLN  23   9.492   2.053 -15.024
  105    HB3  GLN  23           HB3      GLN  23   8.714   3.333 -14.100
  106    HG2  GLN  23           HG2      GLN  23  11.124   1.757 -13.135
  107    HG3  GLN  23           HG3      GLN  23  11.187   3.352 -13.872
  108   HE21  GLN  23          HE21      GLN  23  12.228   2.690 -11.275
  109   HE22  GLN  23          HE22      GLN  23  11.238   3.490 -10.053
  110    H    SER  24           H        SER  24   6.697   0.334 -15.018
  111    HA   SER  24           HA       SER  24   4.557   2.259 -14.830
  112    HB2  SER  24           HB2      SER  24   4.340  -0.652 -15.706
  113    HB3  SER  24           HB3      SER  24   3.275   0.686 -16.148
  114    HG   SER  24           HG       SER  24   5.967   0.187 -16.895
  115    H    CYS  25           H        CYS  25   5.153  -0.732 -13.007
  116    HA   CYS  25           HA       CYS  25   2.394  -0.940 -12.095
  117    HB2  CYS  25           HB2      CYS  25   4.972  -2.403 -11.409
  118    HB3  CYS  25           HB3      CYS  25   3.357  -2.892 -10.914
  119    H    VAL  26           H        VAL  26   5.487   0.033 -10.753
  120    HA   VAL  26           HA       VAL  26   4.981   0.742  -8.094
  121    HB   VAL  26           HB       VAL  26   6.559   2.647  -9.796
  122   HG11  VAL  26          HG11      VAL  26   8.310   2.288  -8.069
  123   HG12  VAL  26          HG12      VAL  26   6.767   2.681  -7.299
  124   HG13  VAL  26          HG13      VAL  26   7.370   0.989  -7.359
  125   HG21  VAL  26          HG21      VAL  26   6.988   0.702 -11.030
  126   HG22  VAL  26          HG22      VAL  26   8.413   1.144 -10.110
  127   HG23  VAL  26          HG23      VAL  26   7.387  -0.235  -9.577
  128    H    ASP  27           H        ASP  27   4.541   2.781 -11.038
  129    HA   ASP  27           HA       ASP  27   3.302   4.995  -9.722
  130    HB2  ASP  27           HB2      ASP  27   4.336   4.737 -12.128
  131    HB3  ASP  27           HB3      ASP  27   2.753   4.164 -12.585
  132    H    ALA  28           H        ALA  28   1.970   2.050 -11.218
  133    HA   ALA  28           HA       ALA  28  -0.770   2.979 -11.197
  134    HB1  ALA  28           HB1      ALA  28   0.112   1.254 -12.742
  135    HB2  ALA  28           HB2      ALA  28   0.357   0.150 -11.370
  136    HB3  ALA  28           HB3      ALA  28  -1.284   0.660 -11.815
  137    H    VAL  29           H        VAL  29   1.131   0.918  -8.900
  138    HA   VAL  29           HA       VAL  29  -1.140   0.558  -7.215
  139    HB   VAL  29           HB       VAL  29   1.791  -0.009  -6.660
  140   HG11  VAL  29          HG11      VAL  29   0.222  -0.065  -4.675
  141   HG12  VAL  29          HG12      VAL  29  -0.728  -1.298  -5.561
  142   HG13  VAL  29          HG13      VAL  29   0.946  -1.637  -5.071
  143   HG21  VAL  29          HG21      VAL  29   1.284  -2.337  -7.340
  144   HG22  VAL  29          HG22      VAL  29  -0.386  -1.890  -7.729
  145   HG23  VAL  29          HG23      VAL  29   0.933  -1.284  -8.704
  146    H    ARG  30           H        ARG  30   1.526   2.926  -7.236
  147    HA   ARG  30           HA       ARG  30   0.894   4.315  -4.763
  148    HB2  ARG  30           HB2      ARG  30   1.966   5.156  -7.512
  149    HB3  ARG  30           HB3      ARG  30   1.750   6.318  -6.218
  150    HG2  ARG  30           HG2      ARG  30   3.419   5.334  -4.855
  151    HG3  ARG  30           HG3      ARG  30   3.405   3.840  -5.786
  152    HD2  ARG  30           HD2      ARG  30   4.994   4.523  -7.181
  153    HD3  ARG  30           HD3      ARG  30   4.105   5.972  -7.590
  154    HE   ARG  30           HE       ARG  30   6.083   5.677  -5.351
  155   HH11  ARG  30          HH11      ARG  30   4.296   7.904  -7.454
  156   HH12  ARG  30          HH12      ARG  30   5.436   9.190  -7.116
  157   HH21  ARG  30          HH21      ARG  30   7.290   7.511  -4.859
  158   HH22  ARG  30          HH22      ARG  30   7.028   8.971  -5.813
  159    H    LYS  31           H        LYS  31  -0.550   4.476  -8.043
  160    HA   LYS  31           HA       LYS  31  -2.285   6.641  -7.257
  161    HB2  LYS  31           HB2      LYS  31  -1.901   5.116  -9.821
  162    HB3  LYS  31           HB3      LYS  31  -3.183   6.346  -9.616
  163    HG2  LYS  31           HG2      LYS  31  -1.613   7.997  -8.835
  164    HG3  LYS  31           HG3      LYS  31  -0.277   6.830  -8.823
  165    HD2  LYS  31           HD2      LYS  31  -0.258   6.726 -11.230
  166    HD3  LYS  31           HD3      LYS  31  -1.676   7.821 -11.339
  167    HE2  LYS  31           HE2      LYS  31  -0.528   9.601 -10.240
  168    HE3  LYS  31           HE3      LYS  31   0.732   8.540  -9.652
  169    HZ1  LYS  31           HZ1      LYS  31   1.495   8.206 -11.965
  170    HZ2  LYS  31           HZ2      LYS  31   1.582   9.798 -11.539
  171    HZ3  LYS  31           HZ3      LYS  31   0.367   9.236 -12.525
  172    H    SER  32           H        SER  32  -2.853   3.211  -7.119
  173    HA   SER  32           HA       SER  32  -5.696   3.517  -6.523
  174    HB2  SER  32           HB2      SER  32  -4.660   1.324  -6.986
  175    HB3  SER  32           HB3      SER  32  -3.779   1.423  -5.443
  176    HG   SER  32           HG       SER  32  -5.643   0.337  -4.940
  177    H    LEU  33           H        LEU  33  -2.726   4.115  -4.637
  178    HA   LEU  33           HA       LEU  33  -4.173   4.464  -2.111
  179    HB2  LEU  33           HB2      LEU  33  -1.351   5.350  -2.750
  180    HB3  LEU  33           HB3      LEU  33  -2.072   5.035  -1.182
  181    HG   LEU  33           HG       LEU  33  -1.717   2.812  -3.215
  182   HD11  LEU  33          HD11      LEU  33   0.495   3.950  -2.715
  183   HD12  LEU  33          HD12      LEU  33   0.372   2.231  -2.345
  184   HD13  LEU  33          HD13      LEU  33   0.289   3.437  -1.033
  185   HD21  LEU  33          HD21      LEU  33  -3.193   2.338  -1.325
  186   HD22  LEU  33          HD22      LEU  33  -1.892   2.794  -0.189
  187   HD23  LEU  33          HD23      LEU  33  -1.694   1.389  -1.261
  188    H    GLN  34           H        GLN  34  -3.197   6.515  -4.763
  189    HA   GLN  34           HA       GLN  34  -3.326   9.005  -3.338
  190    HB2  GLN  34           HB2      GLN  34  -3.083   8.143  -6.180
  191    HB3  GLN  34           HB3      GLN  34  -3.368   9.823  -5.946
  192    HG2  GLN  34           HG2      GLN  34  -1.463  10.055  -4.435
  193    HG3  GLN  34           HG3      GLN  34  -1.170   8.327  -4.479
  194   HE21  GLN  34          HE21      GLN  34   0.930   8.363  -5.404
  195   HE22  GLN  34          HE22      GLN  34   1.285   9.180  -6.891
  196    H    GLY  35           H        GLY  35  -4.809  10.027  -2.672
  197    HA2  GLY  35           HA2      GLY  35  -6.901  11.089  -2.394
  198    HA3  GLY  35           HA3      GLY  35  -7.547  10.209  -3.771
  199    H    VAL  36           H        VAL  36  -6.068   8.343  -1.067
  200    HA   VAL  36           HA       VAL  36  -8.636   6.983  -0.721
  201    HB   VAL  36           HB       VAL  36  -5.838   6.485   0.270
  202   HG11  VAL  36          HG11      VAL  36  -8.324   4.920   1.077
  203   HG12  VAL  36          HG12      VAL  36  -6.640   4.430   1.362
  204   HG13  VAL  36          HG13      VAL  36  -7.275   5.854   2.172
  205   HG21  VAL  36          HG21      VAL  36  -7.834   4.840  -1.368
  206   HG22  VAL  36          HG22      VAL  36  -6.503   5.790  -2.046
  207   HG23  VAL  36          HG23      VAL  36  -6.156   4.396  -1.011
  208    H    ALA  37           H        ALA  37 -10.108   7.541   0.609
  209    HA   ALA  37           HA       ALA  37  -9.857   9.527   2.651
  210    HB1  ALA  37           HB1      ALA  37 -12.120   8.831   3.303
  211    HB2  ALA  37           HB2      ALA  37 -11.989   8.975   1.540
  212    HB3  ALA  37           HB3      ALA  37 -11.983   7.368   2.299
  213    H    GLY  38           H        GLY  38  -8.820   9.378   4.475
  214    HA2  GLY  38           HA2      GLY  38  -8.375   8.473   6.653
  215    HA3  GLY  38           HA3      GLY  38  -8.558   6.839   6.022
  216    H    VAL  39           H        VAL  39  -6.665   8.498   3.705
  217    HA   VAL  39           HA       VAL  39  -4.157   7.517   4.916
  218    HB   VAL  39           HB       VAL  39  -5.021   7.229   2.465
  219   HG11  VAL  39          HG11      VAL  39  -5.179   9.679   1.928
  220   HG12  VAL  39          HG12      VAL  39  -3.412   9.766   2.031
  221   HG13  VAL  39          HG13      VAL  39  -4.183   8.728   0.816
  222   HG21  VAL  39          HG21      VAL  39  -2.105   7.889   3.062
  223   HG22  VAL  39          HG22      VAL  39  -2.905   6.335   3.373
  224   HG23  VAL  39          HG23      VAL  39  -2.715   6.910   1.712
  225    H    GLN  40           H        GLN  40  -2.467   8.771   5.600
  226    HA   GLN  40           HA       GLN  40  -2.631  11.752   5.325
  227    HB2  GLN  40           HB2      GLN  40  -1.141   9.877   7.193
  228    HB3  GLN  40           HB3      GLN  40  -0.469  11.451   6.809
  229    HG2  GLN  40           HG2      GLN  40  -2.687  12.486   7.471
  230    HG3  GLN  40           HG3      GLN  40  -3.152  10.914   8.106
  231   HE21  GLN  40          HE21      GLN  40  -3.109  13.061   9.842
  232   HE22  GLN  40          HE22      GLN  40  -1.691  12.983  10.889
  233    H    ASP  41           H        ASP  41  -0.458   8.940   4.777
  234    HA   ASP  41           HA       ASP  41   0.999  10.336   2.644
  235    HB2  ASP  41           HB2      ASP  41   2.268   9.438   5.260
  236    HB3  ASP  41           HB3      ASP  41   3.169   9.854   3.850
  237    H    VAL  42           H        VAL  42   2.536   8.919   1.630
  238    HA   VAL  42           HA       VAL  42   2.483   6.049   2.172
  239    HB   VAL  42           HB       VAL  42   2.059   5.409  -0.105
  240   HG11  VAL  42          HG11      VAL  42  -0.324   5.593  -0.140
  241   HG12  VAL  42          HG12      VAL  42   0.203   5.437   1.535
  242   HG13  VAL  42          HG13      VAL  42  -0.299   7.022   0.909
  243   HG21  VAL  42          HG21      VAL  42   1.113   8.213  -0.770
  244   HG22  VAL  42          HG22      VAL  42   2.602   7.467  -1.375
  245   HG23  VAL  42          HG23      VAL  42   1.051   6.778  -1.830
  246    H    GLU  43           H        GLU  43   4.319   4.930   1.304
  247    HA   GLU  43           HA       GLU  43   6.061   6.370  -0.586
  248    HB2  GLU  43           HB2      GLU  43   6.781   6.636   1.874
  249    HB3  GLU  43           HB3      GLU  43   7.044   4.899   1.874
  250    HG2  GLU  43           HG2      GLU  43   9.042   5.744   1.372
  251    HG3  GLU  43           HG3      GLU  43   8.519   5.279  -0.235
  252    H    VAL  44           H        VAL  44   6.669   4.978  -2.219
  253    HA   VAL  44           HA       VAL  44   6.274   2.041  -1.791
  254    HB   VAL  44           HB       VAL  44   6.067   3.718  -4.294
  255   HG11  VAL  44          HG11      VAL  44   7.531   1.942  -5.012
  256   HG12  VAL  44          HG12      VAL  44   6.570   0.716  -4.133
  257   HG13  VAL  44          HG13      VAL  44   5.874   1.570  -5.528
  258   HG21  VAL  44          HG21      VAL  44   4.481   1.465  -3.016
  259   HG22  VAL  44          HG22      VAL  44   4.047   3.194  -2.929
  260   HG23  VAL  44          HG23      VAL  44   3.998   2.306  -4.470
  261    H    HIS  45           H        HIS  45   7.820   0.648  -1.920
  262    HA   HIS  45           HA       HIS  45  10.573   1.550  -2.625
  263    HB2  HIS  45           HB2      HIS  45   9.619  -0.288  -0.389
  264    HB3  HIS  45           HB3      HIS  45  11.277  -0.277  -0.962
  265    HD1  HIS  45           HD1      HIS  45  12.808   1.104   0.502
  266    HD2  HIS  45           HD2      HIS  45   8.852   2.530   0.410
  267    HE1  HIS  45           HE1      HIS  45  12.778   3.245   1.904
  268    H    LEU  46           H        LEU  46  10.291   0.996  -4.678
  269    HA   LEU  46           HA       LEU  46   9.345  -1.382  -5.848
  270    HB2  LEU  46           HB2      LEU  46  10.159   0.998  -6.721
  271    HB3  LEU  46           HB3      LEU  46  11.718   0.254  -6.835
  272    HG   LEU  46           HG       LEU  46   9.311   0.071  -8.458
  273   HD11  LEU  46          HD11      LEU  46  10.891  -0.094 -10.306
  274   HD12  LEU  46          HD12      LEU  46  12.214  -0.419  -9.160
  275   HD13  LEU  46          HD13      LEU  46  11.405   1.160  -9.161
  276   HD21  LEU  46          HD21      LEU  46  10.914  -2.467  -8.375
  277   HD22  LEU  46          HD22      LEU  46   9.643  -2.013  -9.532
  278   HD23  LEU  46          HD23      LEU  46   9.212  -2.250  -7.844
  279    H    GLU  47           H        GLU  47  12.536  -0.583  -4.464
  280    HA   GLU  47           HA       GLU  47  13.945  -2.859  -5.519
  281    HB2  GLU  47           HB2      GLU  47  14.670  -1.244  -3.049
  282    HB3  GLU  47           HB3      GLU  47  15.738  -2.239  -4.048
  283    HG2  GLU  47           HG2      GLU  47  15.025  -0.642  -5.994
  284    HG3  GLU  47           HG3      GLU  47  14.486   0.434  -4.717
  285    H    ASP  48           H        ASP  48  11.813  -2.651  -2.797
  286    HA   ASP  48           HA       ASP  48  12.627  -5.407  -1.953
  287    HB2  ASP  48           HB2      ASP  48  12.274  -3.186  -0.309
  288    HB3  ASP  48           HB3      ASP  48  10.692  -3.886  -0.292
  289    H    GLN  49           H        GLN  49  10.435  -3.845  -3.949
  290    HA   GLN  49           HA       GLN  49   8.242  -3.929  -4.467
  291    HB2  GLN  49           HB2      GLN  49   8.139  -6.839  -3.710
  292    HB3  GLN  49           HB3      GLN  49   7.242  -5.931  -4.934
  293    HG2  GLN  49           HG2      GLN  49   8.658  -7.089  -6.278
  294    HG3  GLN  49           HG3      GLN  49   9.501  -5.556  -6.115
  295   HE21  GLN  49          HE21      GLN  49   9.379  -8.863  -4.628
  296   HE22  GLN  49          HE22      GLN  49  11.128  -8.942  -4.398
  297    H    MET  50           H        MET  50   8.720  -2.852  -2.034
  298    HA   MET  50           HA       MET  50   6.505  -3.823  -0.296
  299    HB2  MET  50           HB2      MET  50   8.603  -4.078   0.792
  300    HB3  MET  50           HB3      MET  50   9.105  -2.431   0.394
  301    HG2  MET  50           HG2      MET  50   7.711  -1.451   1.982
  302    HG3  MET  50           HG3      MET  50   6.679  -2.870   2.131
  303    HE1  MET  50           HE1      MET  50   8.172  -5.336   2.691
  304    HE2  MET  50           HE2      MET  50   8.380  -5.275   4.454
  305    HE3  MET  50           HE3      MET  50   6.859  -4.717   3.725
  306    H    VAL  51           H        VAL  51   5.130  -2.281   0.726
  307    HA   VAL  51           HA       VAL  51   5.248   0.517  -0.246
  308    HB   VAL  51           HB       VAL  51   2.613  -1.000  -0.019
  309   HG11  VAL  51          HG11      VAL  51   2.213   1.313  -0.020
  310   HG12  VAL  51          HG12      VAL  51   3.597   1.657  -1.063
  311   HG13  VAL  51          HG13      VAL  51   2.145   0.928  -1.766
  312   HG21  VAL  51          HG21      VAL  51   3.778  -2.173  -1.715
  313   HG22  VAL  51          HG22      VAL  51   2.598  -1.133  -2.503
  314   HG23  VAL  51          HG23      VAL  51   4.329  -0.687  -2.503
  315    H    LEU  52           H        LEU  52   4.978   1.986   1.254
  316    HA   LEU  52           HA       LEU  52   4.041   1.258   3.991
  317    HB2  LEU  52           HB2      LEU  52   5.670   3.618   2.949
  318    HB3  LEU  52           HB3      LEU  52   5.048   3.495   4.567
  319    HG   LEU  52           HG       LEU  52   6.423   1.182   4.579
  320   HD11  LEU  52          HD11      LEU  52   7.938   2.816   2.521
  321   HD12  LEU  52          HD12      LEU  52   7.174   1.239   2.226
  322   HD13  LEU  52          HD13      LEU  52   8.541   1.360   3.333
  323   HD21  LEU  52          HD21      LEU  52   8.385   2.408   5.462
  324   HD22  LEU  52          HD22      LEU  52   6.874   3.105   6.058
  325   HD23  LEU  52          HD23      LEU  52   7.757   3.911   4.746
  326    H    VAL  53           H        VAL  53   2.191   2.007   4.673
  327    HA   VAL  53           HA       VAL  53   0.867   4.277   3.265
  328    HB   VAL  53           HB       VAL  53  -0.509   1.683   4.045
  329   HG11  VAL  53          HG11      VAL  53  -1.526   4.126   2.506
  330   HG12  VAL  53          HG12      VAL  53  -2.458   2.667   2.895
  331   HG13  VAL  53          HG13      VAL  53  -1.932   3.749   4.188
  332   HG21  VAL  53          HG21      VAL  53  -0.882   1.379   1.607
  333   HG22  VAL  53          HG22      VAL  53   0.236   2.732   1.296
  334   HG23  VAL  53          HG23      VAL  53   0.812   1.241   2.072
  335    H    HIS  54           H        HIS  54   0.941   5.798   4.718
  336    HA   HIS  54           HA       HIS  54   0.619   5.345   7.608
  337    HB2  HIS  54           HB2      HIS  54   0.889   7.907   6.012
  338    HB3  HIS  54           HB3      HIS  54   1.052   7.770   7.727
  339    HD1  HIS  54           HD1      HIS  54   3.498   7.701   8.541
  340    HD2  HIS  54           HD2      HIS  54   2.963   6.378   4.583
  341    HE1  HIS  54           HE1      HIS  54   5.816   7.230   7.612
  342    H    THR  55           H        THR  55  -1.506   4.735   8.056
  343    HA   THR  55           HA       THR  55  -3.727   6.530   7.229
  344    HB   THR  55           HB       THR  55  -3.446   5.013   5.352
  345    HG1  THR  55           HG1      THR  55  -5.541   5.647   6.100
  346   HG21  THR  55          HG21      THR  55  -3.841   2.640   5.474
  347   HG22  THR  55          HG22      THR  55  -4.122   2.700   7.226
  348   HG23  THR  55          HG23      THR  55  -2.499   3.005   6.568
  349    H    THR  56           H        THR  56  -5.715   6.199   8.281
  350    HA   THR  56           HA       THR  56  -5.635   4.886  10.928
  351    HB   THR  56           HB       THR  56  -7.819   5.926  11.254
  352    HG1  THR  56           HG1      THR  56  -8.686   7.125   9.493
  353   HG21  THR  56          HG21      THR  56  -6.107   8.017   9.869
  354   HG22  THR  56          HG22      THR  56  -5.800   7.409  11.512
  355   HG23  THR  56          HG23      THR  56  -7.313   8.239  11.155
  356    H    LEU  57           H        LEU  57  -6.588   4.044   7.734
  357    HA   LEU  57           HA       LEU  57  -8.931   2.530   8.163
  358    HB2  LEU  57           HB2      LEU  57  -6.702   2.289   6.102
  359    HB3  LEU  57           HB3      LEU  57  -8.211   1.410   5.968
  360    HG   LEU  57           HG       LEU  57  -7.916   4.449   5.922
  361   HD11  LEU  57          HD11      LEU  57  -8.559   4.195   3.584
  362   HD12  LEU  57          HD12      LEU  57  -8.694   2.432   3.769
  363   HD13  LEU  57          HD13      LEU  57  -7.113   3.241   3.909
  364   HD21  LEU  57          HD21      LEU  57 -10.380   2.676   5.745
  365   HD22  LEU  57          HD22      LEU  57 -10.343   4.374   5.234
  366   HD23  LEU  57          HD23      LEU  57 -10.058   3.973   6.922
  367    HA   PRO  58           HA       PRO  58  -7.500  -1.321   9.860
  368    HB2  PRO  58           HB2      PRO  58  -9.449  -2.887   8.324
  369    HB3  PRO  58           HB3      PRO  58  -9.454  -2.522  10.070
  370    HG2  PRO  58           HG2      PRO  58 -11.322  -1.456   8.340
  371    HG3  PRO  58           HG3      PRO  58 -10.706  -0.547   9.763
  372    HD2  PRO  58           HD2      PRO  58  -9.645  -0.485   6.927
  373    HD3  PRO  58           HD3      PRO  58 -10.243   0.891   7.818
  374    H    SER  59           H        SER  59  -5.815  -2.787   9.137
  375    HA   SER  59           HA       SER  59  -4.876  -2.494   6.500
  376    HB2  SER  59           HB2      SER  59  -3.892  -4.985   7.601
  377    HB3  SER  59           HB3      SER  59  -3.042  -3.482   7.222
  378    HG   SER  59           HG       SER  59  -4.107  -4.432   9.609
  379    H    GLN  60           H        GLN  60  -7.353  -4.653   7.591
  380    HA   GLN  60           HA       GLN  60  -7.601  -6.432   5.404
  381    HB2  GLN  60           HB2      GLN  60  -9.808  -4.990   6.938
  382    HB3  GLN  60           HB3      GLN  60 -10.001  -6.398   5.904
  383    HG2  GLN  60           HG2      GLN  60 -10.019  -7.319   8.017
  384    HG3  GLN  60           HG3      GLN  60  -8.357  -7.602   7.548
  385   HE21  GLN  60          HE21      GLN  60 -10.408  -5.712   9.714
  386   HE22  GLN  60          HE22      GLN  60  -9.019  -5.560  10.800
  387    H    GLU  61           H        GLU  61  -8.714  -3.023   5.713
  388    HA   GLU  61           HA       GLU  61 -10.033  -2.942   3.120
  389    HB2  GLU  61           HB2      GLU  61 -10.609  -1.500   5.200
  390    HB3  GLU  61           HB3      GLU  61  -9.176  -0.527   4.776
  391    HG2  GLU  61           HG2      GLU  61 -10.153  -0.315   2.461
  392    HG3  GLU  61           HG3      GLU  61 -11.617  -1.101   3.113
  393    H    VAL  62           H        VAL  62  -6.887  -1.773   4.425
  394    HA   VAL  62           HA       VAL  62  -6.025  -0.541   2.025
  395    HB   VAL  62           HB       VAL  62  -4.249  -1.740   4.189
  396   HG11  VAL  62          HG11      VAL  62  -3.967   0.681   2.359
  397   HG12  VAL  62          HG12      VAL  62  -2.785   0.188   3.595
  398   HG13  VAL  62          HG13      VAL  62  -3.090  -0.853   2.198
  399   HG21  VAL  62          HG21      VAL  62  -4.322   0.374   5.389
  400   HG22  VAL  62          HG22      VAL  62  -5.570   0.997   4.273
  401   HG23  VAL  62          HG23      VAL  62  -5.904  -0.361   5.371
  402    H    GLN  63           H        GLN  63  -5.626  -3.901   3.282
  403    HA   GLN  63           HA       GLN  63  -4.023  -4.866   1.098
  404    HB2  GLN  63           HB2      GLN  63  -4.401  -6.193   3.128
  405    HB3  GLN  63           HB3      GLN  63  -6.105  -6.321   2.772
  406    HG2  GLN  63           HG2      GLN  63  -5.486  -7.450   0.575
  407    HG3  GLN  63           HG3      GLN  63  -3.777  -7.393   1.118
  408   HE21  GLN  63          HE21      GLN  63  -3.205  -9.483   1.560
  409   HE22  GLN  63          HE22      GLN  63  -4.144 -10.602   2.515
  410    H    ALA  64           H        ALA  64  -7.598  -4.324   1.344
  411    HA   ALA  64           HA       ALA  64  -8.019  -5.639  -1.202
  412    HB1  ALA  64           HB1      ALA  64  -9.717  -5.525   0.660
  413    HB2  ALA  64           HB2      ALA  64  -9.836  -3.774   0.426
  414    HB3  ALA  64           HB3      ALA  64 -10.347  -4.878  -0.870
  415    H    LEU  65           H        LEU  65  -7.434  -2.307  -0.085
  416    HA   LEU  65           HA       LEU  65  -7.884  -0.974  -2.537
  417    HB2  LEU  65           HB2      LEU  65  -6.267  -0.373  -0.088
  418    HB3  LEU  65           HB3      LEU  65  -6.164   0.670  -1.478
  419    HG   LEU  65           HG       LEU  65  -8.827  -0.037  -0.148
  420   HD11  LEU  65          HD11      LEU  65  -7.422   1.109   1.483
  421   HD12  LEU  65          HD12      LEU  65  -8.676   2.206   0.896
  422   HD13  LEU  65          HD13      LEU  65  -7.008   2.360   0.284
  423   HD21  LEU  65          HD21      LEU  65  -9.073   0.814  -2.433
  424   HD22  LEU  65          HD22      LEU  65  -7.969   2.165  -2.089
  425   HD23  LEU  65          HD23      LEU  65  -9.550   2.070  -1.291
  426    H    LEU  66           H        LEU  66  -5.036  -2.514  -1.198
  427    HA   LEU  66           HA       LEU  66  -3.253  -2.089  -3.443
  428    HB2  LEU  66           HB2      LEU  66  -3.248  -4.026  -1.097
  429    HB3  LEU  66           HB3      LEU  66  -1.910  -3.864  -2.220
  430    HG   LEU  66           HG       LEU  66  -2.905  -1.400  -0.743
  431   HD11  LEU  66          HD11      LEU  66  -2.570  -3.018   1.061
  432   HD12  LEU  66          HD12      LEU  66  -1.256  -1.860   1.041
  433   HD13  LEU  66          HD13      LEU  66  -0.996  -3.491   0.378
  434   HD21  LEU  66          HD21      LEU  66  -0.160  -2.261  -1.724
  435   HD22  LEU  66          HD22      LEU  66  -0.571  -0.712  -0.972
  436   HD23  LEU  66          HD23      LEU  66  -1.251  -1.127  -2.555
  437    H    GLU  67           H        GLU  67  -5.368  -4.850  -2.503
  438    HA   GLU  67           HA       GLU  67  -4.664  -6.559  -4.690
  439    HB2  GLU  67           HB2      GLU  67  -6.923  -6.401  -2.696
  440    HB3  GLU  67           HB3      GLU  67  -7.078  -7.502  -3.997
  441    HG2  GLU  67           HG2      GLU  67  -4.590  -8.229  -3.248
  442    HG3  GLU  67           HG3      GLU  67  -5.085  -7.536  -1.728
  443    H    GLY  68           H        GLY  68  -7.135  -3.994  -4.480
  444    HA2  GLY  68           HA2      GLY  68  -8.470  -4.416  -6.940
  445    HA3  GLY  68           HA3      GLY  68  -8.241  -2.858  -6.140
  446    H    THR  69           H        THR  69  -5.158  -3.610  -6.546
  447    HA   THR  69           HA       THR  69  -4.813  -2.263  -9.127
  448    HB   THR  69           HB       THR  69  -2.464  -2.153  -8.600
  449    HG1  THR  69           HG1      THR  69  -2.885  -3.711  -6.312
  450   HG21  THR  69          HG21      THR  69  -2.530  -0.913  -6.596
  451   HG22  THR  69          HG22      THR  69  -4.014  -1.697  -6.041
  452   HG23  THR  69          HG23      THR  69  -4.026  -0.642  -7.475
  453    H    GLY  70           H        GLY  70  -5.516  -5.409  -8.382
  454    HA2  GLY  70           HA2      GLY  70  -5.779  -7.151  -9.908
  455    HA3  GLY  70           HA3      GLY  70  -4.621  -6.415 -11.010
  456    H    ARG  71           H        ARG  71  -3.699  -6.810  -7.645
  457    HA   ARG  71           HA       ARG  71  -1.674  -8.850  -8.402
  458    HB2  ARG  71           HB2      ARG  71  -1.346  -6.286  -6.782
  459    HB3  ARG  71           HB3      ARG  71  -0.054  -7.424  -7.187
  460    HG2  ARG  71           HG2      ARG  71  -0.260  -6.897  -9.568
  461    HG3  ARG  71           HG3      ARG  71  -1.638  -5.829  -9.250
  462    HD2  ARG  71           HD2      ARG  71  -0.195  -4.442  -7.754
  463    HD3  ARG  71           HD3      ARG  71   1.180  -5.411  -8.250
  464    HE   ARG  71           HE       ARG  71  -0.323  -3.418  -9.848
  465   HH11  ARG  71          HH11      ARG  71   2.115  -5.958 -10.108
  466   HH12  ARG  71          HH12      ARG  71   2.280  -5.635 -11.822
  467   HH21  ARG  71          HH21      ARG  71   0.150  -2.959 -11.854
  468   HH22  ARG  71          HH22      ARG  71   1.574  -3.673 -12.611
  469    H    GLN  72           H        GLN  72  -0.457  -9.605  -6.545
  470    HA   GLN  72           HA       GLN  72  -2.074 -10.262  -4.171
  471    HB2  GLN  72           HB2      GLN  72  -0.526 -11.869  -5.293
  472    HB3  GLN  72           HB3      GLN  72   0.831 -10.926  -4.690
  473    HG2  GLN  72           HG2      GLN  72   0.782 -12.455  -3.021
  474    HG3  GLN  72           HG3      GLN  72  -0.495 -11.461  -2.338
  475   HE21  GLN  72          HE21      GLN  72  -2.806 -12.181  -2.858
  476   HE22  GLN  72          HE22      GLN  72  -3.064 -13.889  -3.181
  477    H    ALA  73           H        ALA  73  -1.685  -9.598  -2.219
  478    HA   ALA  73           HA       ALA  73   0.335  -7.523  -1.457
  479    HB1  ALA  73           HB1      ALA  73  -1.431  -6.033  -0.608
  480    HB2  ALA  73           HB2      ALA  73  -1.618  -6.279  -2.360
  481    HB3  ALA  73           HB3      ALA  73  -2.687  -7.128  -1.227
  482    H    VAL  74           H        VAL  74   1.235  -8.239   0.328
  483    HA   VAL  74           HA       VAL  74  -0.350  -9.691   2.426
  484    HB   VAL  74           HB       VAL  74   2.434 -10.270   1.364
  485   HG11  VAL  74          HG11      VAL  74   2.444 -12.181   2.971
  486   HG12  VAL  74          HG12      VAL  74   2.485 -10.625   3.789
  487   HG13  VAL  74          HG13      VAL  74   0.958 -11.544   3.710
  488   HG21  VAL  74          HG21      VAL  74   1.450 -12.510   0.867
  489   HG22  VAL  74          HG22      VAL  74  -0.130 -11.886   1.418
  490   HG23  VAL  74          HG23      VAL  74   0.650 -11.215  -0.034
  491    H    LEU  75           H        LEU  75  -0.355  -8.555   4.200
  492    HA   LEU  75           HA       LEU  75   1.537  -6.477   4.776
  493    HB2  LEU  75           HB2      LEU  75  -0.775  -6.547   5.415
  494    HB3  LEU  75           HB3      LEU  75  -0.467  -7.772   6.590
  495    HG   LEU  75           HG       LEU  75   0.691  -6.262   8.063
  496   HD11  LEU  75          HD11      LEU  75   1.046  -3.779   7.209
  497   HD12  LEU  75          HD12      LEU  75   1.072  -4.500   5.604
  498   HD13  LEU  75          HD13      LEU  75   2.268  -4.964   6.852
  499   HD21  LEU  75          HD21      LEU  75  -0.793  -4.347   8.111
  500   HD22  LEU  75          HD22      LEU  75  -1.722  -5.786   7.561
  501   HD23  LEU  75          HD23      LEU  75  -1.102  -4.604   6.353
  502    H    LYS  76           H        LYS  76   3.180  -6.278   6.001
  503    HA   LYS  76           HA       LYS  76   4.505  -8.711   7.151
  504    HB2  LYS  76           HB2      LYS  76   5.778  -6.102   6.276
  505    HB3  LYS  76           HB3      LYS  76   6.603  -7.504   6.886
  506    HG2  LYS  76           HG2      LYS  76   4.942  -7.506   4.324
  507    HG3  LYS  76           HG3      LYS  76   6.674  -7.246   4.387
  508    HD2  LYS  76           HD2      LYS  76   5.288  -9.798   5.322
  509    HD3  LYS  76           HD3      LYS  76   6.056  -9.555   3.748
  510    HE2  LYS  76           HE2      LYS  76   8.216  -9.042   4.894
  511    HE3  LYS  76           HE3      LYS  76   7.470  -9.419   6.451
  512    HZ1  LYS  76           HZ1      LYS  76   8.711 -11.273   5.450
  513    HZ2  LYS  76           HZ2      LYS  76   7.635 -11.358   4.204
  514    HZ3  LYS  76           HZ3      LYS  76   7.167 -11.660   5.772
  515    H    GLY  77           H        GLY  77   3.613  -5.395   7.972
  516    HA2  GLY  77           HA2      GLY  77   2.406  -6.109  10.260
  517    HA3  GLY  77           HA3      GLY  77   4.044  -5.765  10.834
  518    H    MET  78           H        MET  78   2.614  -4.298  12.054
  519    HA   MET  78           HA       MET  78   2.021  -1.690  10.826
  520    HB2  MET  78           HB2      MET  78   1.608  -2.740  13.669
  521    HB3  MET  78           HB3      MET  78   1.162  -1.155  13.059
  522    HG2  MET  78           HG2      MET  78  -0.856  -2.278  12.910
  523    HG3  MET  78           HG3      MET  78  -0.225  -2.430  11.276
  524    HE1  MET  78           HE1      MET  78  -2.527  -4.203  11.750
  525    HE2  MET  78           HE2      MET  78  -1.423  -4.311  10.361
  526    HE3  MET  78           HE3      MET  78  -1.905  -5.787  11.225
  527    H    GLY  79           H        GLY  79   3.396   0.008  11.082
  528    HA2  GLY  79           HA2      GLY  79   5.411   1.092  11.420
  529    HA3  GLY  79           HA3      GLY  79   5.573   0.259  12.970
  Start of MODEL   18
    1    H    GLY   9           H        GLY   9  -9.715   3.683  10.699
    2    HA2  GLY   9           HA2      GLY   9  -9.957   3.104  13.632
    3    HA3  GLY   9           HA3      GLY   9  -8.664   2.559  12.562
    4    H    THR  10           H        THR  10  -6.847   3.578  13.335
    5    HA   THR  10           HA       THR  10  -6.789   6.545  13.408
    6    HB   THR  10           HB       THR  10  -7.120   5.766  15.678
    7    HG1  THR  10           HG1      THR  10  -5.897   7.252  16.327
    8   HG21  THR  10          HG21      THR  10  -5.836   3.609  15.553
    9   HG22  THR  10          HG22      THR  10  -5.362   4.640  16.916
   10   HG23  THR  10          HG23      THR  10  -4.330   4.543  15.471
   11    H    LEU  11           H        LEU  11  -4.662   7.430  13.245
   12    HA   LEU  11           HA       LEU  11  -3.508   6.346  10.902
   13    HB2  LEU  11           HB2      LEU  11  -3.594   8.838  11.937
   14    HB3  LEU  11           HB3      LEU  11  -1.983   8.352  12.463
   15    HG   LEU  11           HG       LEU  11  -1.864   9.700  10.509
   16   HD11  LEU  11          HD11      LEU  11  -0.455   8.482   9.079
   17   HD12  LEU  11          HD12      LEU  11  -1.144   6.916   9.567
   18   HD13  LEU  11          HD13      LEU  11  -0.173   7.871  10.718
   19   HD21  LEU  11          HD21      LEU  11  -3.949   9.342   9.411
   20   HD22  LEU  11          HD22      LEU  11  -3.608   7.620   9.166
   21   HD23  LEU  11          HD23      LEU  11  -2.676   8.823   8.284
   22    H    CYS  12           H        CYS  12  -1.993   5.066  10.532
   23    HA   CYS  12           HA       CYS  12   0.174   4.225  12.378
   24    HB2  CYS  12           HB2      CYS  12  -2.044   2.435  11.285
   25    HB3  CYS  12           HB3      CYS  12  -0.539   1.825  12.007
   26    HG   CYS  12           HG       CYS  12  -2.924   3.672  13.342
   27    H    THR  13           H        THR  13   1.823   3.012  11.264
   28    HA   THR  13           HA       THR  13   1.932   3.430   8.282
   29    HB   THR  13           HB       THR  13   4.115   2.522  10.192
   30    HG1  THR  13           HG1      THR  13   4.904   4.611   9.989
   31   HG21  THR  13          HG21      THR  13   5.617   3.265   8.374
   32   HG22  THR  13          HG22      THR  13   4.200   3.608   7.354
   33   HG23  THR  13          HG23      THR  13   4.560   1.938   7.861
   34    H    LEU  14           H        LEU  14   0.899   1.734   7.273
   35    HA   LEU  14           HA       LEU  14   1.334  -1.057   8.252
   36    HB2  LEU  14           HB2      LEU  14  -0.599   0.316   6.390
   37    HB3  LEU  14           HB3      LEU  14  -0.314  -1.417   6.281
   38    HG   LEU  14           HG       LEU  14  -1.213  -1.904   8.362
   39   HD11  LEU  14          HD11      LEU  14  -1.946  -0.303  10.048
   40   HD12  LEU  14          HD12      LEU  14  -1.258   1.039   9.102
   41   HD13  LEU  14          HD13      LEU  14  -0.205  -0.219   9.803
   42   HD21  LEU  14          HD21      LEU  14  -3.461  -0.930   8.294
   43   HD22  LEU  14          HD22      LEU  14  -2.889  -1.221   6.637
   44   HD23  LEU  14          HD23      LEU  14  -2.879   0.420   7.310
   45    H    GLU  15           H        GLU  15   3.090  -2.080   7.556
   46    HA   GLU  15           HA       GLU  15   4.318  -1.277   4.981
   47    HB2  GLU  15           HB2      GLU  15   6.295  -1.443   5.985
   48    HB3  GLU  15           HB3      GLU  15   5.341  -1.415   7.482
   49    HG2  GLU  15           HG2      GLU  15   5.288  -3.890   7.378
   50    HG3  GLU  15           HG3      GLU  15   6.528  -3.771   6.116
   51    H    PHE  16           H        PHE  16   3.353  -2.305   3.415
   52    HA   PHE  16           HA       PHE  16   2.645  -5.200   3.626
   53    HB2  PHE  16           HB2      PHE  16   1.717  -2.934   1.819
   54    HB3  PHE  16           HB3      PHE  16   1.366  -4.604   1.472
   55    HD1  PHE  16           HD1      PHE  16  -0.095  -6.019   2.833
   56    HD2  PHE  16           HD2      PHE  16   0.406  -1.793   3.552
   57    HE1  PHE  16           HE1      PHE  16  -2.358  -5.929   3.840
   58    HE2  PHE  16           HE2      PHE  16  -1.828  -1.727   4.625
   59    HZ   PHE  16           HZ       PHE  16  -3.235  -3.795   4.706
   60    H    ALA  17           H        ALA  17   3.158  -6.717   2.168
   61    HA   ALA  17           HA       ALA  17   5.307  -6.137   0.156
   62    HB1  ALA  17           HB1      ALA  17   5.686  -8.560   0.176
   63    HB2  ALA  17           HB2      ALA  17   5.837  -7.871   1.804
   64    HB3  ALA  17           HB3      ALA  17   4.373  -8.772   1.352
   65    H    VAL  18           H        VAL  18   4.817  -6.065  -1.964
   66    HA   VAL  18           HA       VAL  18   2.331  -7.257  -3.030
   67    HB   VAL  18           HB       VAL  18   1.769  -5.044  -4.103
   68   HG11  VAL  18          HG11      VAL  18   0.477  -5.883  -2.162
   69   HG12  VAL  18          HG12      VAL  18   1.606  -5.037  -1.054
   70   HG13  VAL  18          HG13      VAL  18   0.599  -4.124  -2.177
   71   HG21  VAL  18          HG21      VAL  18   3.461  -3.893  -1.861
   72   HG22  VAL  18          HG22      VAL  18   3.964  -3.911  -3.561
   73   HG23  VAL  18          HG23      VAL  18   2.507  -3.015  -3.077
   74    H    GLN  19           H        GLN  19   2.481  -8.086  -5.020
   75    HA   GLN  19           HA       GLN  19   5.115  -7.959  -6.187
   76    HB2  GLN  19           HB2      GLN  19   4.571  -9.822  -7.451
   77    HB3  GLN  19           HB3      GLN  19   3.873 -10.000  -5.866
   78    HG2  GLN  19           HG2      GLN  19   2.088 -10.757  -6.983
   79    HG3  GLN  19           HG3      GLN  19   1.662  -9.060  -7.116
   80   HE21  GLN  19          HE21      GLN  19   0.504 -10.708  -8.952
   81   HE22  GLN  19          HE22      GLN  19   1.318 -10.518 -10.516
   82    H    MET  20           H        MET  20   5.776  -6.245  -7.247
   83    HA   MET  20           HA       MET  20   4.619  -5.709  -9.914
   84    HB2  MET  20           HB2      MET  20   5.122  -3.218  -9.463
   85    HB3  MET  20           HB3      MET  20   3.620  -3.902  -8.850
   86    HG2  MET  20           HG2      MET  20   4.427  -3.989  -6.604
   87    HG3  MET  20           HG3      MET  20   6.087  -3.629  -7.113
   88    HE1  MET  20           HE1      MET  20   4.110  -2.179  -4.894
   89    HE2  MET  20           HE2      MET  20   5.859  -1.893  -5.034
   90    HE3  MET  20           HE3      MET  20   4.692  -0.509  -5.023
   91    H    THR  21           H        THR  21   6.169  -4.672 -11.420
   92    HA   THR  21           HA       THR  21   9.003  -5.330 -10.695
   93    HB   THR  21           HB       THR  21   9.222  -6.378 -12.944
   94    HG1  THR  21           HG1      THR  21   7.227  -7.083 -13.870
   95   HG21  THR  21          HG21      THR  21   7.122  -7.700 -11.179
   96   HG22  THR  21          HG22      THR  21   8.870  -7.728 -10.885
   97   HG23  THR  21          HG23      THR  21   8.215  -8.483 -12.342
   98    H    CYS  22           H        CYS  22   7.152  -2.974 -12.589
   99    HA   CYS  22           HA       CYS  22   9.755  -1.711 -13.231
  100    HB2  CYS  22           HB2      CYS  22   9.495  -1.669 -15.481
  101    HB3  CYS  22           HB3      CYS  22   8.812  -3.218 -15.116
  102    H    GLN  23           H        GLN  23   9.365   0.528 -14.287
  103    HA   GLN  23           HA       GLN  23   8.520   2.092 -12.096
  104    HB2  GLN  23           HB2      GLN  23   9.398   2.839 -14.883
  105    HB3  GLN  23           HB3      GLN  23   8.953   4.050 -13.684
  106    HG2  GLN  23           HG2      GLN  23  11.173   1.995 -13.362
  107    HG3  GLN  23           HG3      GLN  23  11.362   3.715 -13.709
  108   HE21  GLN  23          HE21      GLN  23  11.467   1.495 -11.174
  109   HE22  GLN  23          HE22      GLN  23  11.093   2.592  -9.856
  110    H    SER  24           H        SER  24   6.474   1.088 -14.746
  111    HA   SER  24           HA       SER  24   4.513   3.229 -14.261
  112    HB2  SER  24           HB2      SER  24   4.261   0.675 -15.884
  113    HB3  SER  24           HB3      SER  24   3.084   2.007 -15.818
  114    HG   SER  24           HG       SER  24   4.338   2.512 -17.531
  115    H    CYS  25           H        CYS  25   5.123   0.050 -12.864
  116    HA   CYS  25           HA       CYS  25   2.368  -0.344 -11.959
  117    HB2  CYS  25           HB2      CYS  25   4.985  -1.765 -11.325
  118    HB3  CYS  25           HB3      CYS  25   3.376  -2.284 -10.831
  119    H    VAL  26           H        VAL  26   5.460   0.691 -10.619
  120    HA   VAL  26           HA       VAL  26   4.953   1.170  -7.918
  121    HB   VAL  26           HB       VAL  26   6.392   3.311  -9.468
  122   HG11  VAL  26          HG11      VAL  26   7.346   1.509  -7.191
  123   HG12  VAL  26          HG12      VAL  26   8.182   2.919  -7.834
  124   HG13  VAL  26          HG13      VAL  26   6.645   3.148  -6.990
  125   HG21  VAL  26          HG21      VAL  26   7.288   0.469  -9.544
  126   HG22  VAL  26          HG22      VAL  26   6.949   1.589 -10.865
  127   HG23  VAL  26          HG23      VAL  26   8.365   1.870  -9.840
  128    H    ASP  27           H        ASP  27   4.374   3.357 -10.687
  129    HA   ASP  27           HA       ASP  27   3.003   5.440  -9.308
  130    HB2  ASP  27           HB2      ASP  27   4.066   5.246 -11.726
  131    HB3  ASP  27           HB3      ASP  27   2.492   4.629 -12.172
  132    H    ALA  28           H        ALA  28   1.816   2.446 -10.878
  133    HA   ALA  28           HA       ALA  28  -0.966   3.237 -10.791
  134    HB1  ALA  28           HB1      ALA  28  -0.033   1.637 -12.434
  135    HB2  ALA  28           HB2      ALA  28   0.296   0.482 -11.124
  136    HB3  ALA  28           HB3      ALA  28  -1.379   0.932 -11.509
  137    H    VAL  29           H        VAL  29   1.074   1.119  -8.663
  138    HA   VAL  29           HA       VAL  29  -1.099   0.571  -6.916
  139    HB   VAL  29           HB       VAL  29   1.884   0.241  -6.416
  140   HG11  VAL  29          HG11      VAL  29  -0.540  -1.232  -5.320
  141   HG12  VAL  29          HG12      VAL  29   1.157  -1.498  -4.858
  142   HG13  VAL  29          HG13      VAL  29   0.361   0.024  -4.416
  143   HG21  VAL  29          HG21      VAL  29   1.568  -2.106  -7.134
  144   HG22  VAL  29          HG22      VAL  29  -0.137  -1.788  -7.518
  145   HG23  VAL  29          HG23      VAL  29   1.136  -1.057  -8.478
  146    H    ARG  30           H        ARG  30   1.440   3.118  -6.896
  147    HA   ARG  30           HA       ARG  30   0.692   4.331  -4.370
  148    HB2  ARG  30           HB2      ARG  30   1.725   5.445  -7.046
  149    HB3  ARG  30           HB3      ARG  30   1.480   6.479  -5.644
  150    HG2  ARG  30           HG2      ARG  30   3.260   5.526  -4.422
  151    HG3  ARG  30           HG3      ARG  30   3.302   4.092  -5.435
  152    HD2  ARG  30           HD2      ARG  30   4.994   5.053  -6.552
  153    HD3  ARG  30           HD3      ARG  30   3.793   6.064  -7.327
  154    HE   ARG  30           HE       ARG  30   4.353   7.539  -5.074
  155   HH11  ARG  30          HH11      ARG  30   6.182   6.604  -7.844
  156   HH12  ARG  30          HH12      ARG  30   7.597   7.476  -7.358
  157   HH21  ARG  30          HH21      ARG  30   6.046   8.851  -4.654
  158   HH22  ARG  30          HH22      ARG  30   7.556   8.704  -5.569
  159    H    LYS  31           H        LYS  31  -0.623   4.715  -7.670
  160    HA   LYS  31           HA       LYS  31  -2.469   6.729  -6.836
  161    HB2  LYS  31           HB2      LYS  31  -2.049   5.255  -9.412
  162    HB3  LYS  31           HB3      LYS  31  -3.374   6.432  -9.182
  163    HG2  LYS  31           HG2      LYS  31  -1.835   8.130  -8.395
  164    HG3  LYS  31           HG3      LYS  31  -0.477   6.992  -8.427
  165    HD2  LYS  31           HD2      LYS  31  -0.526   6.922 -10.851
  166    HD3  LYS  31           HD3      LYS  31  -1.910   8.066 -10.879
  167    HE2  LYS  31           HE2      LYS  31  -0.640   9.711  -9.606
  168    HE3  LYS  31           HE3      LYS  31   0.675   8.575  -9.342
  169    HZ1  LYS  31           HZ1      LYS  31   1.080  10.225 -11.154
  170    HZ2  LYS  31           HZ2      LYS  31  -0.104   9.547 -12.035
  171    HZ3  LYS  31           HZ3      LYS  31   1.225   8.636 -11.655
  172    H    SER  32           H        SER  32  -2.860   3.279  -6.623
  173    HA   SER  32           HA       SER  32  -5.761   3.458  -6.178
  174    HB2  SER  32           HB2      SER  32  -4.710   1.308  -6.692
  175    HB3  SER  32           HB3      SER  32  -3.782   1.382  -5.174
  176    HG   SER  32           HG       SER  32  -5.689   0.156  -4.852
  177    H    LEU  33           H        LEU  33  -2.894   4.223  -4.262
  178    HA   LEU  33           HA       LEU  33  -4.385   4.431  -1.723
  179    HB2  LEU  33           HB2      LEU  33  -1.521   5.256  -2.304
  180    HB3  LEU  33           HB3      LEU  33  -2.228   4.883  -0.746
  181    HG   LEU  33           HG       LEU  33  -1.873   2.800  -2.942
  182   HD11  LEU  33          HD11      LEU  33   0.117   2.036  -1.844
  183   HD12  LEU  33          HD12      LEU  33  -0.010   3.319  -0.614
  184   HD13  LEU  33          HD13      LEU  33   0.330   3.727  -2.305
  185   HD21  LEU  33          HD21      LEU  33  -2.243   2.505   0.043
  186   HD22  LEU  33          HD22      LEU  33  -2.054   1.208  -1.160
  187   HD23  LEU  33          HD23      LEU  33  -3.499   2.231  -1.199
  188    H    GLN  34           H        GLN  34  -2.926   6.589  -4.150
  189    HA   GLN  34           HA       GLN  34  -3.184   9.001  -2.674
  190    HB2  GLN  34           HB2      GLN  34  -2.680   8.239  -5.524
  191    HB3  GLN  34           HB3      GLN  34  -3.033   9.906  -5.206
  192    HG2  GLN  34           HG2      GLN  34  -1.171  10.152  -3.702
  193    HG3  GLN  34           HG3      GLN  34  -0.916   8.409  -3.611
  194   HE21  GLN  34          HE21      GLN  34   0.647  11.024  -4.809
  195   HE22  GLN  34          HE22      GLN  34   1.228  10.305  -6.316
  196    H    GLY  35           H        GLY  35  -4.616  10.466  -2.484
  197    HA2  GLY  35           HA2      GLY  35  -6.621  11.632  -2.548
  198    HA3  GLY  35           HA3      GLY  35  -7.103  10.695  -3.962
  199    H    VAL  36           H        VAL  36  -6.396   8.543  -1.314
  200    HA   VAL  36           HA       VAL  36  -9.211   7.870  -1.167
  201    HB   VAL  36           HB       VAL  36  -6.722   6.608   0.038
  202   HG11  VAL  36          HG11      VAL  36  -8.157   4.608   0.433
  203   HG12  VAL  36          HG12      VAL  36  -8.598   5.963   1.459
  204   HG13  VAL  36          HG13      VAL  36  -9.592   5.571   0.032
  205   HG21  VAL  36          HG21      VAL  36  -8.545   5.751  -2.264
  206   HG22  VAL  36          HG22      VAL  36  -6.913   6.422  -2.448
  207   HG23  VAL  36          HG23      VAL  36  -7.134   4.863  -1.653
  208    H    ALA  37           H        ALA  37 -10.399   7.790   0.589
  209    HA   ALA  37           HA       ALA  37 -10.185   9.807   2.653
  210    HB1  ALA  37           HB1      ALA  37 -12.013   7.378   2.421
  211    HB2  ALA  37           HB2      ALA  37 -12.216   8.741   3.539
  212    HB3  ALA  37           HB3      ALA  37 -12.347   9.008   1.789
  213    H    GLY  38           H        GLY  38  -8.641   9.698   4.195
  214    HA2  GLY  38           HA2      GLY  38  -8.067   8.893   6.360
  215    HA3  GLY  38           HA3      GLY  38  -8.456   7.246   5.876
  216    H    VAL  39           H        VAL  39  -6.587   8.839   3.452
  217    HA   VAL  39           HA       VAL  39  -4.082   7.580   4.448
  218    HB   VAL  39           HB       VAL  39  -5.072   7.285   2.068
  219   HG11  VAL  39          HG11      VAL  39  -5.288   9.673   1.473
  220   HG12  VAL  39          HG12      VAL  39  -3.519   9.852   1.556
  221   HG13  VAL  39          HG13      VAL  39  -4.254   8.778   0.358
  222   HG21  VAL  39          HG21      VAL  39  -2.115   7.943   2.474
  223   HG22  VAL  39          HG22      VAL  39  -2.897   6.391   2.848
  224   HG23  VAL  39          HG23      VAL  39  -2.806   6.953   1.173
  225    H    GLN  40           H        GLN  40  -2.305   8.743   5.089
  226    HA   GLN  40           HA       GLN  40  -2.350  11.728   4.793
  227    HB2  GLN  40           HB2      GLN  40  -1.113   9.849   6.829
  228    HB3  GLN  40           HB3      GLN  40  -0.386  11.405   6.498
  229    HG2  GLN  40           HG2      GLN  40  -2.629  12.495   6.937
  230    HG3  GLN  40           HG3      GLN  40  -3.201  10.919   7.480
  231   HE21  GLN  40          HE21      GLN  40  -3.569  12.495   9.475
  232   HE22  GLN  40          HE22      GLN  40  -2.223  12.517  10.619
  233    H    ASP  41           H        ASP  41  -0.221   8.845   4.525
  234    HA   ASP  41           HA       ASP  41   1.438  10.128   2.459
  235    HB2  ASP  41           HB2      ASP  41   2.481   9.264   5.193
  236    HB3  ASP  41           HB3      ASP  41   3.498   9.566   3.821
  237    H    VAL  42           H        VAL  42   3.024   8.610   1.646
  238    HA   VAL  42           HA       VAL  42   2.648   5.713   2.072
  239    HB   VAL  42           HB       VAL  42   2.451   5.309  -0.356
  240   HG11  VAL  42          HG11      VAL  42   0.076   5.761  -0.592
  241   HG12  VAL  42          HG12      VAL  42   0.438   5.251   1.069
  242   HG13  VAL  42          HG13      VAL  42   0.128   6.962   0.702
  243   HG21  VAL  42          HG21      VAL  42   1.814   8.274  -0.671
  244   HG22  VAL  42          HG22      VAL  42   3.260   7.455  -1.293
  245   HG23  VAL  42          HG23      VAL  42   1.668   7.028  -1.922
  246    H    GLU  43           H        GLU  43   4.441   4.482   1.272
  247    HA   GLU  43           HA       GLU  43   6.587   5.898  -0.177
  248    HB2  GLU  43           HB2      GLU  43   7.059   6.337   2.237
  249    HB3  GLU  43           HB3      GLU  43   7.155   4.599   2.519
  250    HG2  GLU  43           HG2      GLU  43   9.066   4.422   0.999
  251    HG3  GLU  43           HG3      GLU  43   8.920   6.131   0.581
  252    H    VAL  44           H        VAL  44   6.887   4.576  -1.889
  253    HA   VAL  44           HA       VAL  44   6.689   1.639  -1.483
  254    HB   VAL  44           HB       VAL  44   5.220   2.144  -3.113
  255   HG11  VAL  44          HG11      VAL  44   5.770   4.424  -3.723
  256   HG12  VAL  44          HG12      VAL  44   7.199   3.850  -4.625
  257   HG13  VAL  44          HG13      VAL  44   5.548   3.361  -5.116
  258   HG21  VAL  44          HG21      VAL  44   6.056   1.101  -5.156
  259   HG22  VAL  44          HG22      VAL  44   7.725   1.406  -4.694
  260   HG23  VAL  44          HG23      VAL  44   6.752   0.257  -3.755
  261    H    HIS  45           H        HIS  45   8.179   0.308  -1.674
  262    HA   HIS  45           HA       HIS  45  10.819   1.062  -2.790
  263    HB2  HIS  45           HB2      HIS  45  10.166  -0.756  -0.415
  264    HB3  HIS  45           HB3      HIS  45  11.745  -0.659  -1.174
  265    HD1  HIS  45           HD1      HIS  45  13.373   1.006  -0.037
  266    HD2  HIS  45           HD2      HIS  45   9.292   1.719   0.776
  267    HE1  HIS  45           HE1      HIS  45  13.295   2.962   1.579
  268    H    LEU  46           H        LEU  46  10.241   0.349  -4.838
  269    HA   LEU  46           HA       LEU  46   9.210  -2.231  -5.539
  270    HB2  LEU  46           HB2      LEU  46   9.322  -0.297  -6.943
  271    HB3  LEU  46           HB3      LEU  46  11.049  -0.322  -6.986
  272    HG   LEU  46           HG       LEU  46  11.185  -1.974  -8.587
  273   HD11  LEU  46          HD11      LEU  46   8.628  -3.249  -7.478
  274   HD12  LEU  46          HD12      LEU  46  10.258  -3.976  -7.602
  275   HD13  LEU  46          HD13      LEU  46   9.346  -3.695  -9.037
  276   HD21  LEU  46          HD21      LEU  46   9.269  -1.744 -10.125
  277   HD22  LEU  46          HD22      LEU  46   9.580  -0.192  -9.320
  278   HD23  LEU  46          HD23      LEU  46   8.260  -1.261  -8.723
  279    H    GLU  47           H        GLU  47  12.427  -0.997  -4.874
  280    HA   GLU  47           HA       GLU  47  13.900  -3.404  -5.443
  281    HB2  GLU  47           HB2      GLU  47  14.543  -0.932  -3.822
  282    HB3  GLU  47           HB3      GLU  47  15.718  -2.226  -4.106
  283    HG2  GLU  47           HG2      GLU  47  15.934  -1.783  -6.356
  284    HG3  GLU  47           HG3      GLU  47  14.278  -1.241  -6.556
  285    H    ASP  48           H        ASP  48  11.707  -2.978  -2.901
  286    HA   ASP  48           HA       ASP  48  12.680  -5.591  -1.838
  287    HB2  ASP  48           HB2      ASP  48  12.487  -3.374  -0.216
  288    HB3  ASP  48           HB3      ASP  48  10.862  -3.964  -0.120
  289    H    GLN  49           H        GLN  49  10.466  -4.303  -3.857
  290    HA   GLN  49           HA       GLN  49   8.245  -4.336  -4.330
  291    HB2  GLN  49           HB2      GLN  49   8.383  -7.215  -3.366
  292    HB3  GLN  49           HB3      GLN  49   7.186  -6.528  -4.439
  293    HG2  GLN  49           HG2      GLN  49   8.900  -5.996  -6.128
  294    HG3  GLN  49           HG3      GLN  49   9.950  -6.993  -5.113
  295   HE21  GLN  49          HE21      GLN  49   8.084  -7.221  -7.874
  296   HE22  GLN  49          HE22      GLN  49   7.785  -8.962  -7.771
  297    H    MET  50           H        MET  50   8.846  -3.252  -1.822
  298    HA   MET  50           HA       MET  50   6.551  -4.085  -0.130
  299    HB2  MET  50           HB2      MET  50   8.672  -4.325   0.981
  300    HB3  MET  50           HB3      MET  50   9.140  -2.666   0.599
  301    HG2  MET  50           HG2      MET  50   7.706  -1.710   2.144
  302    HG3  MET  50           HG3      MET  50   6.612  -3.087   2.167
  303    HE1  MET  50           HE1      MET  50   8.024  -5.655   4.458
  304    HE2  MET  50           HE2      MET  50   6.826  -5.182   3.231
  305    HE3  MET  50           HE3      MET  50   8.484  -5.629   2.740
  306    H    VAL  51           H        VAL  51   5.050  -2.524   0.596
  307    HA   VAL  51           HA       VAL  51   5.527   0.323  -0.133
  308    HB   VAL  51           HB       VAL  51   2.851  -1.111  -0.517
  309   HG11  VAL  51          HG11      VAL  51   2.399   1.059  -1.770
  310   HG12  VAL  51          HG12      VAL  51   2.677   1.329  -0.030
  311   HG13  VAL  51          HG13      VAL  51   3.975   1.658  -1.210
  312   HG21  VAL  51          HG21      VAL  51   4.848  -0.092  -2.593
  313   HG22  VAL  51          HG22      VAL  51   4.513  -1.786  -2.281
  314   HG23  VAL  51          HG23      VAL  51   3.235  -0.749  -2.932
  315    H    LEU  52           H        LEU  52   5.469   1.564   1.565
  316    HA   LEU  52           HA       LEU  52   4.084   0.795   4.075
  317    HB2  LEU  52           HB2      LEU  52   5.771   3.223   3.331
  318    HB3  LEU  52           HB3      LEU  52   5.022   2.970   4.877
  319    HG   LEU  52           HG       LEU  52   6.478   0.698   4.840
  320   HD11  LEU  52          HD11      LEU  52   7.369   0.902   2.566
  321   HD12  LEU  52          HD12      LEU  52   8.650   0.969   3.767
  322   HD13  LEU  52          HD13      LEU  52   8.097   2.465   2.985
  323   HD21  LEU  52          HD21      LEU  52   6.776   2.555   6.463
  324   HD22  LEU  52          HD22      LEU  52   7.759   3.432   5.271
  325   HD23  LEU  52          HD23      LEU  52   8.329   1.889   5.950
  326    H    VAL  53           H        VAL  53   2.245   1.778   4.736
  327    HA   VAL  53           HA       VAL  53   1.025   3.967   3.118
  328    HB   VAL  53           HB       VAL  53  -0.434   1.476   4.076
  329   HG11  VAL  53          HG11      VAL  53  -1.797   3.582   3.905
  330   HG12  VAL  53          HG12      VAL  53  -1.279   3.764   2.221
  331   HG13  VAL  53          HG13      VAL  53  -2.284   2.382   2.704
  332   HG21  VAL  53          HG21      VAL  53   0.534   2.181   1.288
  333   HG22  VAL  53          HG22      VAL  53   0.954   0.751   2.250
  334   HG23  VAL  53          HG23      VAL  53  -0.691   0.937   1.641
  335    H    HIS  54           H        HIS  54   1.104   5.592   4.533
  336    HA   HIS  54           HA       HIS  54   0.585   5.235   7.399
  337    HB2  HIS  54           HB2      HIS  54   1.021   7.795   5.859
  338    HB3  HIS  54           HB3      HIS  54   1.098   7.584   7.571
  339    HD1  HIS  54           HD1      HIS  54   3.411   7.230   8.573
  340    HD2  HIS  54           HD2      HIS  54   3.156   6.152   4.522
  341    HE1  HIS  54           HE1      HIS  54   5.757   6.521   7.867
  342    H    THR  55           H        THR  55  -1.543   4.725   7.792
  343    HA   THR  55           HA       THR  55  -3.696   6.514   6.769
  344    HB   THR  55           HB       THR  55  -3.321   4.921   4.992
  345    HG1  THR  55           HG1      THR  55  -5.439   5.652   5.595
  346   HG21  THR  55          HG21      THR  55  -4.143   2.722   6.944
  347   HG22  THR  55          HG22      THR  55  -2.499   2.948   6.313
  348   HG23  THR  55          HG23      THR  55  -3.824   2.557   5.207
  349    H    THR  56           H        THR  56  -5.703   6.340   7.720
  350    HA   THR  56           HA       THR  56  -5.904   5.083  10.381
  351    HB   THR  56           HB       THR  56  -8.136   6.156  10.442
  352    HG1  THR  56           HG1      THR  56  -8.668   6.179   8.278
  353   HG21  THR  56          HG21      THR  56  -6.064   7.427  11.108
  354   HG22  THR  56          HG22      THR  56  -7.405   8.445  10.574
  355   HG23  THR  56          HG23      THR  56  -6.040   8.142   9.484
  356    H    LEU  57           H        LEU  57  -6.425   4.017   7.197
  357    HA   LEU  57           HA       LEU  57  -8.817   2.486   7.563
  358    HB2  LEU  57           HB2      LEU  57  -6.472   2.225   5.649
  359    HB3  LEU  57           HB3      LEU  57  -7.955   1.290   5.493
  360    HG   LEU  57           HG       LEU  57  -7.885   4.346   5.405
  361   HD11  LEU  57          HD11      LEU  57  -6.573   3.403   3.549
  362   HD12  LEU  57          HD12      LEU  57  -8.100   4.089   2.970
  363   HD13  LEU  57          HD13      LEU  57  -7.925   2.326   3.121
  364   HD21  LEU  57          HD21      LEU  57  -9.985   2.287   4.526
  365   HD22  LEU  57          HD22      LEU  57 -10.108   4.043   4.323
  366   HD23  LEU  57          HD23      LEU  57 -10.114   3.338   5.946
  367    HA   PRO  58           HA       PRO  58  -6.953  -1.097   9.648
  368    HB2  PRO  58           HB2      PRO  58  -9.074  -2.819   8.497
  369    HB3  PRO  58           HB3      PRO  58  -8.769  -2.427  10.210
  370    HG2  PRO  58           HG2      PRO  58 -10.956  -1.451   8.846
  371    HG3  PRO  58           HG3      PRO  58 -10.092  -0.468  10.080
  372    HD2  PRO  58           HD2      PRO  58  -9.668  -0.438   7.070
  373    HD3  PRO  58           HD3      PRO  58 -10.022   0.924   8.141
  374    H    SER  59           H        SER  59  -5.434  -2.648   8.879
  375    HA   SER  59           HA       SER  59  -4.771  -2.717   6.146
  376    HB2  SER  59           HB2      SER  59  -3.566  -4.936   6.801
  377    HB3  SER  59           HB3      SER  59  -2.990  -3.387   7.401
  378    HG   SER  59           HG       SER  59  -4.190  -5.538   8.711
  379    H    GLN  60           H        GLN  60  -7.277  -4.582   7.690
  380    HA   GLN  60           HA       GLN  60  -7.610  -6.608   5.690
  381    HB2  GLN  60           HB2      GLN  60  -9.769  -5.292   7.377
  382    HB3  GLN  60           HB3      GLN  60  -9.853  -6.849   6.557
  383    HG2  GLN  60           HG2      GLN  60  -9.372  -7.493   8.769
  384    HG3  GLN  60           HG3      GLN  60  -7.775  -7.492   8.044
  385   HE21  GLN  60          HE21      GLN  60  -6.275  -6.347   9.295
  386   HE22  GLN  60          HE22      GLN  60  -6.794  -5.228  10.552
  387    H    GLU  61           H        GLU  61  -8.625  -3.139   5.720
  388    HA   GLU  61           HA       GLU  61 -10.047  -3.380   3.146
  389    HB2  GLU  61           HB2      GLU  61  -9.136  -0.897   4.529
  390    HB3  GLU  61           HB3      GLU  61 -10.199  -1.047   3.120
  391    HG2  GLU  61           HG2      GLU  61 -10.662  -2.019   5.915
  392    HG3  GLU  61           HG3      GLU  61 -11.466  -0.709   5.027
  393    H    VAL  62           H        VAL  62  -6.870  -2.094   4.371
  394    HA   VAL  62           HA       VAL  62  -6.107  -1.042   1.861
  395    HB   VAL  62           HB       VAL  62  -4.194  -1.949   4.030
  396   HG11  VAL  62          HG11      VAL  62  -4.159   0.384   2.072
  397   HG12  VAL  62          HG12      VAL  62  -2.884   0.006   3.255
  398   HG13  VAL  62          HG13      VAL  62  -3.205  -1.102   1.916
  399   HG21  VAL  62          HG21      VAL  62  -5.691   0.688   3.987
  400   HG22  VAL  62          HG22      VAL  62  -5.905  -0.609   5.175
  401   HG23  VAL  62          HG23      VAL  62  -4.373   0.220   5.102
  402    H    GLN  63           H        GLN  63  -5.467  -4.253   3.299
  403    HA   GLN  63           HA       GLN  63  -3.920  -5.428   1.218
  404    HB2  GLN  63           HB2      GLN  63  -4.417  -6.524   3.387
  405    HB3  GLN  63           HB3      GLN  63  -6.123  -6.545   3.004
  406    HG2  GLN  63           HG2      GLN  63  -5.525  -8.032   0.986
  407    HG3  GLN  63           HG3      GLN  63  -3.902  -8.160   1.706
  408   HE21  GLN  63          HE21      GLN  63  -7.157  -9.339   1.760
  409   HE22  GLN  63          HE22      GLN  63  -7.001 -10.364   3.177
  410    H    ALA  64           H        ALA  64  -7.462  -4.823   1.431
  411    HA   ALA  64           HA       ALA  64  -7.972  -6.336  -0.976
  412    HB1  ALA  64           HB1      ALA  64 -10.303  -5.584  -0.589
  413    HB2  ALA  64           HB2      ALA  64  -9.601  -6.178   0.921
  414    HB3  ALA  64           HB3      ALA  64  -9.773  -4.436   0.652
  415    H    LEU  65           H        LEU  65  -7.467  -2.963  -0.092
  416    HA   LEU  65           HA       LEU  65  -8.241  -1.727  -2.546
  417    HB2  LEU  65           HB2      LEU  65  -6.652  -0.880  -0.150
  418    HB3  LEU  65           HB3      LEU  65  -6.893   0.192  -1.501
  419    HG   LEU  65           HG       LEU  65  -9.272  -1.181  -0.151
  420   HD11  LEU  65          HD11      LEU  65  -8.101  -0.004   1.634
  421   HD12  LEU  65          HD12      LEU  65  -9.595   0.823   1.222
  422   HD13  LEU  65          HD13      LEU  65  -8.039   1.478   0.642
  423   HD21  LEU  65          HD21      LEU  65  -9.685  -0.079  -2.324
  424   HD22  LEU  65          HD22      LEU  65  -9.047   1.446  -1.665
  425   HD23  LEU  65          HD23      LEU  65 -10.527   0.722  -0.997
  426    H    LEU  66           H        LEU  66  -5.179  -2.749  -1.219
  427    HA   LEU  66           HA       LEU  66  -3.450  -2.288  -3.485
  428    HB2  LEU  66           HB2      LEU  66  -3.342  -4.222  -1.138
  429    HB3  LEU  66           HB3      LEU  66  -2.023  -4.011  -2.278
  430    HG   LEU  66           HG       LEU  66  -3.109  -1.633  -0.710
  431   HD11  LEU  66          HD11      LEU  66  -0.980  -3.615   0.188
  432   HD12  LEU  66          HD12      LEU  66  -2.534  -3.270   0.995
  433   HD13  LEU  66          HD13      LEU  66  -1.295  -2.030   0.934
  434   HD21  LEU  66          HD21      LEU  66  -0.415  -2.203  -1.990
  435   HD22  LEU  66          HD22      LEU  66  -0.832  -0.767  -1.049
  436   HD23  LEU  66          HD23      LEU  66  -1.657  -1.084  -2.585
  437    H    GLU  67           H        GLU  67  -5.349  -5.228  -2.473
  438    HA   GLU  67           HA       GLU  67  -4.796  -6.772  -4.814
  439    HB2  GLU  67           HB2      GLU  67  -6.918  -6.668  -2.710
  440    HB3  GLU  67           HB3      GLU  67  -7.231  -7.675  -4.059
  441    HG2  GLU  67           HG2      GLU  67  -4.496  -7.966  -2.807
  442    HG3  GLU  67           HG3      GLU  67  -5.847  -8.400  -1.787
  443    H    GLY  68           H        GLY  68  -7.019  -4.086  -4.385
  444    HA2  GLY  68           HA2      GLY  68  -8.425  -4.180  -6.875
  445    HA3  GLY  68           HA3      GLY  68  -8.103  -2.757  -5.885
  446    H    THR  69           H        THR  69  -5.080  -3.687  -6.347
  447    HA   THR  69           HA       THR  69  -4.650  -2.261  -8.912
  448    HB   THR  69           HB       THR  69  -2.352  -2.015  -8.311
  449    HG1  THR  69           HG1      THR  69  -2.816  -3.699  -6.106
  450   HG21  THR  69          HG21      THR  69  -3.888  -0.528  -7.217
  451   HG22  THR  69          HG22      THR  69  -2.482  -0.854  -6.197
  452   HG23  THR  69          HG23      THR  69  -4.024  -1.614  -5.811
  453    H    GLY  70           H        GLY  70  -5.410  -5.338  -8.143
  454    HA2  GLY  70           HA2      GLY  70  -5.475  -7.213  -9.452
  455    HA3  GLY  70           HA3      GLY  70  -4.346  -6.487 -10.599
  456    H    ARG  71           H        ARG  71  -3.320  -6.611  -7.268
  457    HA   ARG  71           HA       ARG  71  -1.288  -8.687  -7.924
  458    HB2  ARG  71           HB2      ARG  71  -1.029  -6.017  -6.471
  459    HB3  ARG  71           HB3      ARG  71   0.287  -7.173  -6.693
  460    HG2  ARG  71           HG2      ARG  71   0.299  -6.839  -9.089
  461    HG3  ARG  71           HG3      ARG  71  -1.202  -5.918  -9.041
  462    HD2  ARG  71           HD2      ARG  71  -0.053  -4.217  -7.572
  463    HD3  ARG  71           HD3      ARG  71   1.466  -5.013  -7.933
  464    HE   ARG  71           HE       ARG  71  -0.141  -3.303  -9.687
  465   HH11  ARG  71          HH11      ARG  71   2.252  -5.898  -9.889
  466   HH12  ARG  71          HH12      ARG  71   2.494  -5.538 -11.598
  467   HH21  ARG  71          HH21      ARG  71   0.267  -2.968 -11.735
  468   HH22  ARG  71          HH22      ARG  71   1.633  -3.748 -12.521
  469    H    GLN  72           H        GLN  72  -0.629  -9.986  -6.300
  470    HA   GLN  72           HA       GLN  72  -2.094 -10.445  -3.910
  471    HB2  GLN  72           HB2      GLN  72  -0.552 -12.037  -4.892
  472    HB3  GLN  72           HB3      GLN  72   0.845 -11.046  -4.490
  473    HG2  GLN  72           HG2      GLN  72  -0.674 -11.545  -2.058
  474    HG3  GLN  72           HG3      GLN  72  -0.560 -13.050  -2.927
  475   HE21  GLN  72          HE21      GLN  72   1.708 -10.284  -2.069
  476   HE22  GLN  72          HE22      GLN  72   2.937 -11.398  -1.484
  477    H    ALA  73           H        ALA  73  -1.987  -9.683  -2.011
  478    HA   ALA  73           HA       ALA  73   0.095  -7.708  -1.138
  479    HB1  ALA  73           HB1      ALA  73  -1.942  -6.474  -1.855
  480    HB2  ALA  73           HB2      ALA  73  -2.917  -7.415  -0.711
  481    HB3  ALA  73           HB3      ALA  73  -1.654  -6.318  -0.108
  482    H    VAL  74           H        VAL  74   1.076  -8.381   0.621
  483    HA   VAL  74           HA       VAL  74  -0.424  -9.860   2.761
  484    HB   VAL  74           HB       VAL  74   2.271 -10.528   1.566
  485   HG11  VAL  74          HG11      VAL  74   1.034 -11.600   4.141
  486   HG12  VAL  74          HG12      VAL  74   2.439 -12.313   3.320
  487   HG13  VAL  74          HG13      VAL  74   2.555 -10.686   3.987
  488   HG21  VAL  74          HG21      VAL  74  -0.234 -12.221   1.990
  489   HG22  VAL  74          HG22      VAL  74   0.322 -11.572   0.435
  490   HG23  VAL  74          HG23      VAL  74   1.293 -12.785   1.273
  491    H    LEU  75           H        LEU  75  -0.267  -8.795   4.616
  492    HA   LEU  75           HA       LEU  75   1.486  -6.500   4.859
  493    HB2  LEU  75           HB2      LEU  75  -0.817  -6.547   5.594
  494    HB3  LEU  75           HB3      LEU  75  -0.445  -7.715   6.817
  495    HG   LEU  75           HG       LEU  75   0.795  -6.153   8.149
  496   HD11  LEU  75          HD11      LEU  75   2.304  -4.886   6.894
  497   HD12  LEU  75          HD12      LEU  75   1.067  -3.684   7.109
  498   HD13  LEU  75          HD13      LEU  75   1.116  -4.561   5.587
  499   HD21  LEU  75          HD21      LEU  75  -1.069  -4.547   6.484
  500   HD22  LEU  75          HD22      LEU  75  -0.637  -4.239   8.221
  501   HD23  LEU  75          HD23      LEU  75  -1.614  -5.681   7.792
  502    H    LYS  76           H        LYS  76   3.215  -6.233   6.016
  503    HA   LYS  76           HA       LYS  76   4.453  -8.624   7.281
  504    HB2  LYS  76           HB2      LYS  76   5.872  -6.200   6.162
  505    HB3  LYS  76           HB3      LYS  76   6.595  -7.663   6.784
  506    HG2  LYS  76           HG2      LYS  76   4.919  -7.371   4.257
  507    HG3  LYS  76           HG3      LYS  76   6.632  -7.723   4.351
  508    HD2  LYS  76           HD2      LYS  76   4.331  -9.554   5.107
  509    HD3  LYS  76           HD3      LYS  76   5.387  -9.719   3.722
  510    HE2  LYS  76           HE2      LYS  76   6.331  -9.906   6.619
  511    HE3  LYS  76           HE3      LYS  76   5.814 -11.292   5.655
  512    HZ1  LYS  76           HZ1      LYS  76   8.195 -11.047   5.592
  513    HZ2  LYS  76           HZ2      LYS  76   8.096  -9.523   4.961
  514    HZ3  LYS  76           HZ3      LYS  76   7.590 -10.865   4.109
  515    H    GLY  77           H        GLY  77   3.798  -5.188   7.950
  516    HA2  GLY  77           HA2      GLY  77   2.679  -5.760  10.339
  517    HA3  GLY  77           HA3      GLY  77   4.380  -5.539  10.795
  518    H    MET  78           H        MET  78   3.717  -3.841  12.075
  519    HA   MET  78           HA       MET  78   2.650  -1.384  10.821
  520    HB2  MET  78           HB2      MET  78   2.235  -2.650  13.545
  521    HB3  MET  78           HB3      MET  78   1.829  -0.984  13.168
  522    HG2  MET  78           HG2      MET  78  -0.183  -2.072  12.851
  523    HG3  MET  78           HG3      MET  78   0.441  -1.857  11.225
  524    HE1  MET  78           HE1      MET  78  -1.226  -3.358  10.268
  525    HE2  MET  78           HE2      MET  78  -1.569  -5.046  10.734
  526    HE3  MET  78           HE3      MET  78  -1.991  -3.707  11.834
  527    H    GLY  79           H        GLY  79   3.994   0.305  10.808
  528    HA2  GLY  79           HA2      GLY  79   5.011   2.052  12.066
  529    HA3  GLY  79           HA3      GLY  79   5.788   0.888  13.139
  Start of MODEL   19
    1    H    GLY   9           H        GLY   9 -10.589   4.124  14.284
    2    HA2  GLY   9           HA2      GLY   9  -8.419   3.010  12.715
    3    HA3  GLY   9           HA3      GLY   9  -9.160   4.603  12.550
    4    H    THR  10           H        THR  10  -8.210   6.300  13.408
    5    HA   THR  10           HA       THR  10  -6.555   7.632  13.598
    6    HB   THR  10           HB       THR  10  -6.947   7.370  15.969
    7    HG1  THR  10           HG1      THR  10  -5.386   8.715  16.351
    8   HG21  THR  10          HG21      THR  10  -6.090   5.179  16.545
    9   HG22  THR  10          HG22      THR  10  -5.080   6.382  17.352
   10   HG23  THR  10          HG23      THR  10  -4.485   5.564  15.888
   11    H    LEU  11           H        LEU  11  -4.333   8.197  13.433
   12    HA   LEU  11           HA       LEU  11  -3.486   6.734  11.135
   13    HB2  LEU  11           HB2      LEU  11  -3.396   9.350  11.883
   14    HB3  LEU  11           HB3      LEU  11  -1.771   8.850  12.333
   15    HG   LEU  11           HG       LEU  11  -1.744   9.916  10.223
   16   HD11  LEU  11          HD11      LEU  11  -1.329   7.002   9.558
   17   HD12  LEU  11          HD12      LEU  11  -0.182   7.989  10.499
   18   HD13  LEU  11          HD13      LEU  11  -0.584   8.448   8.838
   19   HD21  LEU  11          HD21      LEU  11  -3.745   7.827   9.296
   20   HD22  LEU  11          HD22      LEU  11  -2.874   8.914   8.214
   21   HD23  LEU  11          HD23      LEU  11  -3.995   9.571   9.427
   22    H    CYS  12           H        CYS  12  -1.977   5.394  10.814
   23    HA   CYS  12           HA       CYS  12   0.483   5.065  12.321
   24    HB2  CYS  12           HB2      CYS  12  -1.790   3.083  12.497
   25    HB3  CYS  12           HB3      CYS  12  -0.135   2.446  12.359
   26    HG   CYS  12           HG       CYS  12  -1.036   4.828  14.454
   27    H    THR  13           H        THR  13   2.050   3.819  11.054
   28    HA   THR  13           HA       THR  13   1.417   3.571   8.185
   29    HB   THR  13           HB       THR  13   3.932   2.708   9.611
   30    HG1  THR  13           HG1      THR  13   4.700   4.668   8.646
   31   HG21  THR  13          HG21      THR  13   3.703   1.677   7.362
   32   HG22  THR  13          HG22      THR  13   4.922   2.936   7.325
   33   HG23  THR  13          HG23      THR  13   3.304   3.270   6.668
   34    H    LEU  14           H        LEU  14   1.069   1.796   7.045
   35    HA   LEU  14           HA       LEU  14   1.385  -0.914   8.264
   36    HB2  LEU  14           HB2      LEU  14  -0.828   0.230   6.644
   37    HB3  LEU  14           HB3      LEU  14  -0.334  -1.439   6.326
   38    HG   LEU  14           HG       LEU  14  -0.740  -0.492   9.198
   39   HD11  LEU  14          HD11      LEU  14  -2.753   0.015   8.018
   40   HD12  LEU  14          HD12      LEU  14  -2.968  -1.400   9.076
   41   HD13  LEU  14          HD13      LEU  14  -2.770  -1.629   7.302
   42   HD21  LEU  14          HD21      LEU  14   0.357  -2.655   8.945
   43   HD22  LEU  14          HD22      LEU  14  -0.840  -3.177   7.758
   44   HD23  LEU  14          HD23      LEU  14  -1.304  -2.945   9.459
   45    H    GLU  15           H        GLU  15   2.348  -2.404   7.032
   46    HA   GLU  15           HA       GLU  15   4.158  -1.405   4.849
   47    HB2  GLU  15           HB2      GLU  15   5.974  -2.677   6.171
   48    HB3  GLU  15           HB3      GLU  15   5.387  -1.168   6.930
   49    HG2  GLU  15           HG2      GLU  15   3.943  -2.254   8.302
   50    HG3  GLU  15           HG3      GLU  15   4.097  -3.729   7.467
   51    H    PHE  16           H        PHE  16   2.820  -2.487   3.620
   52    HA   PHE  16           HA       PHE  16   2.738  -5.451   3.553
   53    HB2  PHE  16           HB2      PHE  16   1.565  -3.375   1.650
   54    HB3  PHE  16           HB3      PHE  16   1.391  -5.112   1.463
   55    HD1  PHE  16           HD1      PHE  16   0.388  -2.315   3.675
   56    HD2  PHE  16           HD2      PHE  16  -0.116  -6.446   2.569
   57    HE1  PHE  16           HE1      PHE  16  -1.779  -2.372   4.896
   58    HE2  PHE  16           HE2      PHE  16  -2.320  -6.493   3.742
   59    HZ   PHE  16           HZ       PHE  16  -3.171  -4.446   4.850
   60    H    ALA  17           H        ALA  17   3.415  -6.814   2.036
   61    HA   ALA  17           HA       ALA  17   5.488  -5.984   0.055
   62    HB1  ALA  17           HB1      ALA  17   6.195  -7.760   1.582
   63    HB2  ALA  17           HB2      ALA  17   4.764  -8.732   1.145
   64    HB3  ALA  17           HB3      ALA  17   6.018  -8.391  -0.066
   65    H    VAL  18           H        VAL  18   5.169  -6.443  -2.156
   66    HA   VAL  18           HA       VAL  18   2.497  -7.463  -3.018
   67    HB   VAL  18           HB       VAL  18   2.418  -5.478  -4.659
   68   HG11  VAL  18          HG11      VAL  18   1.333  -3.984  -3.057
   69   HG12  VAL  18          HG12      VAL  18   0.865  -5.657  -2.763
   70   HG13  VAL  18          HG13      VAL  18   2.042  -4.872  -1.692
   71   HG21  VAL  18          HG21      VAL  18   4.720  -4.719  -4.351
   72   HG22  VAL  18          HG22      VAL  18   3.502  -3.468  -4.005
   73   HG23  VAL  18          HG23      VAL  18   4.343  -4.279  -2.674
   74    H    GLN  19           H        GLN  19   2.286  -8.007  -5.254
   75    HA   GLN  19           HA       GLN  19   4.870  -8.869  -6.483
   76    HB2  GLN  19           HB2      GLN  19   1.965  -9.476  -7.126
   77    HB3  GLN  19           HB3      GLN  19   3.322  -9.991  -8.139
   78    HG2  GLN  19           HG2      GLN  19   4.276 -11.298  -6.307
   79    HG3  GLN  19           HG3      GLN  19   3.021 -10.739  -5.202
   80   HE21  GLN  19          HE21      GLN  19   2.839 -13.229  -4.996
   81   HE22  GLN  19          HE22      GLN  19   1.610 -13.943  -6.058
   82    H    MET  20           H        MET  20   5.691  -6.735  -7.016
   83    HA   MET  20           HA       MET  20   4.982  -6.286  -9.832
   84    HB2  MET  20           HB2      MET  20   5.333  -3.809  -9.560
   85    HB3  MET  20           HB3      MET  20   3.794  -4.436  -8.974
   86    HG2  MET  20           HG2      MET  20   4.452  -4.240  -6.697
   87    HG3  MET  20           HG3      MET  20   6.153  -3.994  -7.121
   88    HE1  MET  20           HE1      MET  20   3.972  -1.838  -5.227
   89    HE2  MET  20           HE2      MET  20   5.663  -2.443  -5.205
   90    HE3  MET  20           HE3      MET  20   5.309  -0.692  -5.427
   91    H    THR  21           H        THR  21   6.646  -5.443 -11.078
   92    HA   THR  21           HA       THR  21   9.401  -5.973 -10.036
   93    HB   THR  21           HB       THR  21   8.351  -6.905 -12.720
   94    HG1  THR  21           HG1      THR  21   8.451  -8.545 -10.431
   95   HG21  THR  21          HG21      THR  21  10.782  -7.064 -12.453
   96   HG22  THR  21          HG22      THR  21  10.078  -8.681 -12.404
   97   HG23  THR  21          HG23      THR  21  10.588  -7.894 -10.893
   98    H    CYS  22           H        CYS  22   7.416  -3.937 -12.114
   99    HA   CYS  22           HA       CYS  22   9.864  -2.548 -13.024
  100    HB2  CYS  22           HB2      CYS  22   9.332  -2.596 -15.154
  101    HB3  CYS  22           HB3      CYS  22   8.558  -4.104 -14.681
  102    H    GLN  23           H        GLN  23   9.558  -0.374 -13.707
  103    HA   GLN  23           HA       GLN  23   8.664   1.127 -11.490
  104    HB2  GLN  23           HB2      GLN  23  10.391   1.487 -13.677
  105    HB3  GLN  23           HB3      GLN  23   9.170   2.724 -13.904
  106    HG2  GLN  23           HG2      GLN  23  10.916   3.681 -12.594
  107    HG3  GLN  23           HG3      GLN  23   9.559   3.435 -11.496
  108   HE21  GLN  23          HE21      GLN  23  10.267   2.624  -9.472
  109   HE22  GLN  23          HE22      GLN  23  11.697   1.637  -9.296
  110    H    SER  24           H        SER  24   6.841   0.301 -14.309
  111    HA   SER  24           HA       SER  24   4.892   2.485 -14.139
  112    HB2  SER  24           HB2      SER  24   4.722  -0.198 -15.590
  113    HB3  SER  24           HB3      SER  24   3.692   1.217 -15.867
  114    HG   SER  24           HG       SER  24   5.541   2.373 -16.509
  115    H    CYS  25           H        CYS  25   5.130  -0.655 -12.552
  116    HA   CYS  25           HA       CYS  25   2.267  -0.719 -11.942
  117    HB2  CYS  25           HB2      CYS  25   4.686  -2.317 -11.058
  118    HB3  CYS  25           HB3      CYS  25   3.054  -2.620 -10.477
  119    H    VAL  26           H        VAL  26   5.261   0.116 -10.257
  120    HA   VAL  26           HA       VAL  26   4.511   1.023  -7.720
  121    HB   VAL  26           HB       VAL  26   6.391   2.753  -9.341
  122   HG11  VAL  26          HG11      VAL  26   7.828   2.533  -7.451
  123   HG12  VAL  26          HG12      VAL  26   6.212   2.862  -6.798
  124   HG13  VAL  26          HG13      VAL  26   6.902   1.190  -6.794
  125   HG21  VAL  26          HG21      VAL  26   6.943  -0.128  -8.756
  126   HG22  VAL  26          HG22      VAL  26   6.888   0.677 -10.341
  127   HG23  VAL  26          HG23      VAL  26   8.168   1.106  -9.200
  128    H    ASP  27           H        ASP  27   4.649   3.028 -10.674
  129    HA   ASP  27           HA       ASP  27   3.486   5.424  -9.825
  130    HB2  ASP  27           HB2      ASP  27   4.569   4.655 -12.065
  131    HB3  ASP  27           HB3      ASP  27   2.993   3.998 -12.448
  132    H    ALA  28           H        ALA  28   1.941   2.378 -10.806
  133    HA   ALA  28           HA       ALA  28  -0.741   3.595 -10.900
  134    HB1  ALA  28           HB1      ALA  28  -1.520   1.381 -11.475
  135    HB2  ALA  28           HB2      ALA  28  -0.133   1.849 -12.486
  136    HB3  ALA  28           HB3      ALA  28   0.076   0.681 -11.149
  137    H    VAL  29           H        VAL  29   0.965   1.268  -8.624
  138    HA   VAL  29           HA       VAL  29  -1.306   1.082  -6.926
  139    HB   VAL  29           HB       VAL  29   1.514   0.950  -5.862
  140   HG11  VAL  29          HG11      VAL  29   0.472  -0.763  -4.424
  141   HG12  VAL  29          HG12      VAL  29  -0.617   0.636  -4.444
  142   HG13  VAL  29          HG13      VAL  29  -0.975  -0.780  -5.468
  143   HG21  VAL  29          HG21      VAL  29   1.341  -1.602  -6.398
  144   HG22  VAL  29          HG22      VAL  29   0.256  -1.085  -7.708
  145   HG23  VAL  29          HG23      VAL  29   1.944  -0.511  -7.610
  146    H    ARG  30           H        ARG  30   1.422   3.410  -7.047
  147    HA   ARG  30           HA       ARG  30   0.826   4.954  -4.711
  148    HB2  ARG  30           HB2      ARG  30   2.116   5.501  -7.471
  149    HB3  ARG  30           HB3      ARG  30   1.900   6.816  -6.321
  150    HG2  ARG  30           HG2      ARG  30   3.236   5.720  -4.647
  151    HG3  ARG  30           HG3      ARG  30   3.371   4.246  -5.604
  152    HD2  ARG  30           HD2      ARG  30   5.011   5.054  -6.971
  153    HD3  ARG  30           HD3      ARG  30   4.366   6.700  -6.976
  154    HE   ARG  30           HE       ARG  30   6.412   5.642  -5.210
  155   HH11  ARG  30          HH11      ARG  30   4.123   8.345  -5.526
  156   HH12  ARG  30          HH12      ARG  30   4.791   9.099  -4.090
  157   HH21  ARG  30          HH21      ARG  30   7.219   6.885  -3.462
  158   HH22  ARG  30          HH22      ARG  30   6.409   8.396  -3.103
  159    H    LYS  31           H        LYS  31  -0.517   5.179  -8.031
  160    HA   LYS  31           HA       LYS  31  -2.264   7.393  -7.223
  161    HB2  LYS  31           HB2      LYS  31  -1.762   6.081  -9.900
  162    HB3  LYS  31           HB3      LYS  31  -2.887   7.439  -9.605
  163    HG2  LYS  31           HG2      LYS  31  -1.065   8.648  -8.410
  164    HG3  LYS  31           HG3      LYS  31   0.090   7.402  -8.887
  165    HD2  LYS  31           HD2      LYS  31  -0.071   8.065 -11.203
  166    HD3  LYS  31           HD3      LYS  31  -1.466   9.136 -10.850
  167    HE2  LYS  31           HE2      LYS  31  -0.094  10.386  -9.207
  168    HE3  LYS  31           HE3      LYS  31   1.302   9.366  -9.574
  169    HZ1  LYS  31           HZ1      LYS  31   1.330  11.502 -10.808
  170    HZ2  LYS  31           HZ2      LYS  31  -0.064  11.104 -11.572
  171    HZ3  LYS  31           HZ3      LYS  31   1.285  10.225 -11.839
  172    H    SER  32           H        SER  32  -2.749   3.978  -7.372
  173    HA   SER  32           HA       SER  32  -5.642   4.155  -6.949
  174    HB2  SER  32           HB2      SER  32  -4.374   2.033  -7.573
  175    HB3  SER  32           HB3      SER  32  -3.755   2.024  -5.910
  176    HG   SER  32           HG       SER  32  -6.366   1.676  -6.915
  177    H    LEU  33           H        LEU  33  -2.739   4.354  -4.892
  178    HA   LEU  33           HA       LEU  33  -4.142   4.543  -2.359
  179    HB2  LEU  33           HB2      LEU  33  -1.303   5.204  -3.261
  180    HB3  LEU  33           HB3      LEU  33  -1.850   5.289  -1.605
  181    HG   LEU  33           HG       LEU  33  -2.181   2.674  -3.107
  182   HD11  LEU  33          HD11      LEU  33   0.418   3.479  -1.707
  183   HD12  LEU  33          HD12      LEU  33   0.223   3.324  -3.455
  184   HD13  LEU  33          HD13      LEU  33   0.010   1.914  -2.427
  185   HD21  LEU  33          HD21      LEU  33  -1.460   3.384  -0.258
  186   HD22  LEU  33          HD22      LEU  33  -1.813   1.760  -0.884
  187   HD23  LEU  33          HD23      LEU  33  -3.102   2.989  -0.830
  188    H    GLN  34           H        GLN  34  -2.774   6.985  -4.588
  189    HA   GLN  34           HA       GLN  34  -3.140   9.224  -2.900
  190    HB2  GLN  34           HB2      GLN  34  -2.673   8.766  -5.812
  191    HB3  GLN  34           HB3      GLN  34  -3.143  10.367  -5.369
  192    HG2  GLN  34           HG2      GLN  34  -1.274  10.651  -3.886
  193    HG3  GLN  34           HG3      GLN  34  -0.899   8.928  -3.910
  194   HE21  GLN  34          HE21      GLN  34   1.288   9.515  -4.458
  195   HE22  GLN  34          HE22      GLN  34   1.670   9.795  -6.161
  196    H    GLY  35           H        GLY  35  -4.704  10.483  -2.435
  197    HA2  GLY  35           HA2      GLY  35  -6.808  11.469  -2.334
  198    HA3  GLY  35           HA3      GLY  35  -7.252  10.677  -3.841
  199    H    VAL  36           H        VAL  36  -6.229   8.482  -1.234
  200    HA   VAL  36           HA       VAL  36  -8.963   7.486  -0.915
  201    HB   VAL  36           HB       VAL  36  -6.263   6.616   0.153
  202   HG11  VAL  36          HG11      VAL  36  -7.438   4.620   1.082
  203   HG12  VAL  36          HG12      VAL  36  -7.849   6.101   1.945
  204   HG13  VAL  36          HG13      VAL  36  -8.995   5.411   0.772
  205   HG21  VAL  36          HG21      VAL  36  -8.303   5.260  -1.676
  206   HG22  VAL  36          HG22      VAL  36  -6.822   6.069  -2.225
  207   HG23  VAL  36          HG23      VAL  36  -6.709   4.625  -1.218
  208    H    ALA  37           H        ALA  37 -10.276   7.982   0.626
  209    HA   ALA  37           HA       ALA  37  -9.790  10.119   2.516
  210    HB1  ALA  37           HB1      ALA  37 -12.012   9.671   1.542
  211    HB2  ALA  37           HB2      ALA  37 -12.073   8.107   2.389
  212    HB3  ALA  37           HB3      ALA  37 -12.056   9.621   3.314
  213    H    GLY  38           H        GLY  38  -8.502   9.922   4.254
  214    HA2  GLY  38           HA2      GLY  38  -8.084   9.085   6.476
  215    HA3  GLY  38           HA3      GLY  38  -8.612   7.479   5.984
  216    H    VAL  39           H        VAL  39  -6.643   8.761   3.510
  217    HA   VAL  39           HA       VAL  39  -4.156   7.581   4.639
  218    HB   VAL  39           HB       VAL  39  -5.117   7.194   2.218
  219   HG11  VAL  39          HG11      VAL  39  -3.323   9.562   1.601
  220   HG12  VAL  39          HG12      VAL  39  -4.194   8.516   0.468
  221   HG13  VAL  39          HG13      VAL  39  -5.090   9.615   1.527
  222   HG21  VAL  39          HG21      VAL  39  -2.150   7.667   2.756
  223   HG22  VAL  39          HG22      VAL  39  -3.060   6.189   3.137
  224   HG23  VAL  39          HG23      VAL  39  -2.836   6.677   1.451
  225    H    GLN  40           H        GLN  40  -2.393   8.807   5.186
  226    HA   GLN  40           HA       GLN  40  -2.510  11.774   4.771
  227    HB2  GLN  40           HB2      GLN  40  -1.254  10.012   6.894
  228    HB3  GLN  40           HB3      GLN  40  -0.537  11.561   6.501
  229    HG2  GLN  40           HG2      GLN  40  -2.827  12.637   6.838
  230    HG3  GLN  40           HG3      GLN  40  -3.379  11.075   7.439
  231   HE21  GLN  40          HE21      GLN  40  -3.863  12.423   9.417
  232   HE22  GLN  40          HE22      GLN  40  -2.527  12.663  10.563
  233    H    ASP  41           H        ASP  41  -0.489   8.863   4.321
  234    HA   ASP  41           HA       ASP  41   0.847  10.067   2.052
  235    HB2  ASP  41           HB2      ASP  41   2.158  10.223   4.680
  236    HB3  ASP  41           HB3      ASP  41   3.101   9.269   3.600
  237    H    VAL  42           H        VAL  42   2.618   8.657   1.349
  238    HA   VAL  42           HA       VAL  42   2.508   5.813   2.018
  239    HB   VAL  42           HB       VAL  42   2.323   5.121  -0.328
  240   HG11  VAL  42          HG11      VAL  42  -0.073   5.226  -0.468
  241   HG12  VAL  42          HG12      VAL  42   0.386   5.033   1.221
  242   HG13  VAL  42          HG13      VAL  42  -0.152   6.616   0.614
  243   HG21  VAL  42          HG21      VAL  42   2.840   7.214  -1.536
  244   HG22  VAL  42          HG22      VAL  42   1.285   6.537  -2.036
  245   HG23  VAL  42          HG23      VAL  42   1.325   7.929  -0.941
  246    H    GLU  43           H        GLU  43   4.336   4.679   1.324
  247    HA   GLU  43           HA       GLU  43   6.468   6.172  -0.101
  248    HB2  GLU  43           HB2      GLU  43   6.809   6.563   2.327
  249    HB3  GLU  43           HB3      GLU  43   6.909   4.824   2.594
  250    HG2  GLU  43           HG2      GLU  43   8.887   4.706   1.142
  251    HG3  GLU  43           HG3      GLU  43   8.758   6.434   0.802
  252    H    VAL  44           H        VAL  44   7.068   4.913  -1.763
  253    HA   VAL  44           HA       VAL  44   6.213   2.017  -1.712
  254    HB   VAL  44           HB       VAL  44   5.936   3.906  -4.055
  255   HG11  VAL  44          HG11      VAL  44   6.425   1.524  -4.635
  256   HG12  VAL  44          HG12      VAL  44   5.073   1.008  -3.608
  257   HG13  VAL  44          HG13      VAL  44   4.779   2.006  -5.056
  258   HG21  VAL  44          HG21      VAL  44   4.071   2.831  -1.936
  259   HG22  VAL  44          HG22      VAL  44   4.222   4.485  -2.544
  260   HG23  VAL  44          HG23      VAL  44   3.471   3.232  -3.567
  261    H    HIS  45           H        HIS  45   7.586   0.624  -1.990
  262    HA   HIS  45           HA       HIS  45  10.356   1.297  -2.892
  263    HB2  HIS  45           HB2      HIS  45   9.197  -0.115  -0.506
  264    HB3  HIS  45           HB3      HIS  45  10.800  -0.591  -1.083
  265    HD1  HIS  45           HD1      HIS  45  12.825   0.985  -0.593
  266    HD2  HIS  45           HD2      HIS  45   9.037   2.388   0.606
  267    HE1  HIS  45           HE1      HIS  45  13.251   3.000   0.913
  268    H    LEU  46           H        LEU  46   9.785   0.525  -5.068
  269    HA   LEU  46           HA       LEU  46   9.299  -2.238  -5.599
  270    HB2  LEU  46           HB2      LEU  46   9.282  -0.387  -7.148
  271    HB3  LEU  46           HB3      LEU  46  10.997  -0.209  -7.076
  272    HG   LEU  46           HG       LEU  46  11.418  -2.030  -8.475
  273   HD11  LEU  46          HD11      LEU  46  10.516  -3.924  -7.241
  274   HD12  LEU  46          HD12      LEU  46   9.790  -3.948  -8.814
  275   HD13  LEU  46          HD13      LEU  46   8.839  -3.322  -7.449
  276   HD21  LEU  46          HD21      LEU  46   9.722  -0.502  -9.538
  277   HD22  LEU  46          HD22      LEU  46   8.463  -1.624  -8.903
  278   HD23  LEU  46          HD23      LEU  46   9.627  -2.165 -10.149
  279    H    GLU  47           H        GLU  47  12.104  -0.445  -4.596
  280    HA   GLU  47           HA       GLU  47  14.031  -2.608  -4.760
  281    HB2  GLU  47           HB2      GLU  47  14.114   0.128  -3.503
  282    HB3  GLU  47           HB3      GLU  47  15.498  -0.968  -3.502
  283    HG2  GLU  47           HG2      GLU  47  15.863  -0.849  -5.753
  284    HG3  GLU  47           HG3      GLU  47  14.171  -0.690  -6.173
  285    H    ASP  48           H        ASP  48  11.518  -2.423  -2.626
  286    HA   ASP  48           HA       ASP  48  12.817  -4.706  -1.248
  287    HB2  ASP  48           HB2      ASP  48  12.014  -2.441   0.192
  288    HB3  ASP  48           HB3      ASP  48  10.629  -3.489   0.295
  289    H    GLN  49           H        GLN  49  10.620  -3.853  -3.536
  290    HA   GLN  49           HA       GLN  49   8.498  -4.104  -4.137
  291    HB2  GLN  49           HB2      GLN  49   8.746  -6.936  -3.111
  292    HB3  GLN  49           HB3      GLN  49   7.559  -6.308  -4.244
  293    HG2  GLN  49           HG2      GLN  49   8.932  -7.187  -5.799
  294    HG3  GLN  49           HG3      GLN  49   9.612  -5.579  -5.717
  295   HE21  GLN  49          HE21      GLN  49  11.816  -5.372  -4.934
  296   HE22  GLN  49          HE22      GLN  49  12.795  -6.808  -4.624
  297    H    MET  50           H        MET  50   8.728  -2.843  -1.728
  298    HA   MET  50           HA       MET  50   6.513  -3.848  -0.056
  299    HB2  MET  50           HB2      MET  50   8.478  -3.765   1.223
  300    HB3  MET  50           HB3      MET  50   8.954  -2.200   0.566
  301    HG2  MET  50           HG2      MET  50   7.760  -0.978   1.995
  302    HG3  MET  50           HG3      MET  50   6.498  -2.142   2.286
  303    HE1  MET  50           HE1      MET  50   8.041  -4.848   3.157
  304    HE2  MET  50           HE2      MET  50   7.895  -4.564   4.904
  305    HE3  MET  50           HE3      MET  50   6.555  -4.127   3.826
  306    H    VAL  51           H        VAL  51   4.925  -2.398   0.697
  307    HA   VAL  51           HA       VAL  51   4.822   0.358  -0.411
  308    HB   VAL  51           HB       VAL  51   2.254  -1.204  -0.015
  309   HG11  VAL  51          HG11      VAL  51   2.408   1.295  -0.481
  310   HG12  VAL  51          HG12      VAL  51   3.129   0.855  -2.060
  311   HG13  VAL  51          HG13      VAL  51   1.468   0.360  -1.669
  312   HG21  VAL  51          HG21      VAL  51   2.213  -1.776  -2.429
  313   HG22  VAL  51          HG22      VAL  51   3.955  -1.408  -2.519
  314   HG23  VAL  51          HG23      VAL  51   3.356  -2.721  -1.470
  315    H    LEU  52           H        LEU  52   5.163   1.581   1.366
  316    HA   LEU  52           HA       LEU  52   3.949   0.808   3.978
  317    HB2  LEU  52           HB2      LEU  52   5.588   3.242   3.123
  318    HB3  LEU  52           HB3      LEU  52   4.906   3.007   4.705
  319    HG   LEU  52           HG       LEU  52   7.016   2.311   5.096
  320   HD11  LEU  52          HD11      LEU  52   6.052  -0.327   4.051
  321   HD12  LEU  52          HD12      LEU  52   5.590   0.448   5.594
  322   HD13  LEU  52          HD13      LEU  52   7.275  -0.023   5.305
  323   HD21  LEU  52          HD21      LEU  52   7.971   2.685   2.902
  324   HD22  LEU  52          HD22      LEU  52   7.273   1.171   2.302
  325   HD23  LEU  52          HD23      LEU  52   8.548   1.140   3.543
  326    H    VAL  53           H        VAL  53   2.227   1.945   4.732
  327    HA   VAL  53           HA       VAL  53   0.913   4.103   3.138
  328    HB   VAL  53           HB       VAL  53  -0.536   1.598   4.071
  329   HG11  VAL  53          HG11      VAL  53  -1.932   3.667   4.075
  330   HG12  VAL  53          HG12      VAL  53  -1.480   3.972   2.390
  331   HG13  VAL  53          HG13      VAL  53  -2.443   2.541   2.816
  332   HG21  VAL  53          HG21      VAL  53   0.273   2.451   1.265
  333   HG22  VAL  53          HG22      VAL  53   0.786   0.989   2.135
  334   HG23  VAL  53          HG23      VAL  53  -0.897   1.161   1.639
  335    H    HIS  54           H        HIS  54   1.034   5.725   4.533
  336    HA   HIS  54           HA       HIS  54   0.578   5.430   7.416
  337    HB2  HIS  54           HB2      HIS  54   0.836   7.983   5.793
  338    HB3  HIS  54           HB3      HIS  54   1.031   7.781   7.514
  339    HD1  HIS  54           HD1      HIS  54   3.464   7.711   8.292
  340    HD2  HIS  54           HD2      HIS  54   2.925   6.361   4.350
  341    HE1  HIS  54           HE1      HIS  54   5.786   7.350   7.339
  342    H    THR  55           H        THR  55  -1.567   4.874   7.923
  343    HA   THR  55           HA       THR  55  -3.758   6.628   6.961
  344    HB   THR  55           HB       THR  55  -3.461   4.988   5.187
  345    HG1  THR  55           HG1      THR  55  -5.574   5.693   5.854
  346   HG21  THR  55          HG21      THR  55  -2.559   3.049   6.490
  347   HG22  THR  55          HG22      THR  55  -3.949   2.616   5.483
  348   HG23  THR  55          HG23      THR  55  -4.156   2.826   7.231
  349    H    THR  56           H        THR  56  -5.848   6.295   7.962
  350    HA   THR  56           HA       THR  56  -5.821   5.074  10.656
  351    HB   THR  56           HB       THR  56  -8.004   6.079  10.996
  352    HG1  THR  56           HG1      THR  56  -9.154   6.232   9.212
  353   HG21  THR  56          HG21      THR  56  -7.495   8.408  10.814
  354   HG22  THR  56          HG22      THR  56  -6.379   8.161   9.459
  355   HG23  THR  56          HG23      THR  56  -5.940   7.602  11.081
  356    H    LEU  57           H        LEU  57  -6.343   3.857   7.583
  357    HA   LEU  57           HA       LEU  57  -8.661   2.209   8.175
  358    HB2  LEU  57           HB2      LEU  57  -6.699   2.094   5.871
  359    HB3  LEU  57           HB3      LEU  57  -8.234   1.235   5.959
  360    HG   LEU  57           HG       LEU  57  -7.851   4.260   5.792
  361   HD11  LEU  57          HD11      LEU  57  -7.496   3.015   3.691
  362   HD12  LEU  57          HD12      LEU  57  -8.953   4.020   3.626
  363   HD13  LEU  57          HD13      LEU  57  -9.104   2.267   3.866
  364   HD21  LEU  57          HD21      LEU  57 -10.425   2.680   6.051
  365   HD22  LEU  57          HD22      LEU  57 -10.319   4.384   5.563
  366   HD23  LEU  57          HD23      LEU  57  -9.800   3.906   7.178
  367    HA   PRO  58           HA       PRO  58  -6.403  -1.232   9.898
  368    HB2  PRO  58           HB2      PRO  58  -8.605  -3.075   9.234
  369    HB3  PRO  58           HB3      PRO  58  -8.135  -2.451  10.834
  370    HG2  PRO  58           HG2      PRO  58 -10.479  -1.691   9.591
  371    HG3  PRO  58           HG3      PRO  58  -9.525  -0.524  10.571
  372    HD2  PRO  58           HD2      PRO  58  -9.326  -1.011   7.585
  373    HD3  PRO  58           HD3      PRO  58  -9.740   0.509   8.344
  374    H    SER  59           H        SER  59  -5.147  -3.129   9.210
  375    HA   SER  59           HA       SER  59  -4.589  -3.261   6.439
  376    HB2  SER  59           HB2      SER  59  -3.487  -5.517   7.009
  377    HB3  SER  59           HB3      SER  59  -2.843  -4.015   7.639
  378    HG   SER  59           HG       SER  59  -3.835  -4.494   9.657
  379    H    GLN  60           H        GLN  60  -7.059  -5.095   8.148
  380    HA   GLN  60           HA       GLN  60  -7.631  -7.022   6.129
  381    HB2  GLN  60           HB2      GLN  60  -9.684  -5.577   7.875
  382    HB3  GLN  60           HB3      GLN  60  -9.844  -7.150   7.097
  383    HG2  GLN  60           HG2      GLN  60  -9.352  -7.799   9.278
  384    HG3  GLN  60           HG3      GLN  60  -7.758  -7.814   8.559
  385   HE21  GLN  60          HE21      GLN  60  -6.247  -6.661   9.738
  386   HE22  GLN  60          HE22      GLN  60  -6.721  -5.587  11.051
  387    H    GLU  61           H        GLU  61  -8.249  -3.585   6.214
  388    HA   GLU  61           HA       GLU  61 -10.041  -3.592   3.868
  389    HB2  GLU  61           HB2      GLU  61 -10.354  -2.146   5.943
  390    HB3  GLU  61           HB3      GLU  61  -8.919  -1.231   5.428
  391    HG2  GLU  61           HG2      GLU  61 -10.041  -0.674   3.311
  392    HG3  GLU  61           HG3      GLU  61 -11.453  -1.611   3.842
  393    H    VAL  62           H        VAL  62  -6.727  -2.424   4.819
  394    HA   VAL  62           HA       VAL  62  -6.215  -1.283   2.277
  395    HB   VAL  62           HB       VAL  62  -4.027  -2.208   4.152
  396   HG11  VAL  62          HG11      VAL  62  -4.392   0.314   2.477
  397   HG12  VAL  62          HG12      VAL  62  -2.913  -0.177   3.340
  398   HG13  VAL  62          HG13      VAL  62  -3.482  -1.111   1.951
  399   HG21  VAL  62          HG21      VAL  62  -5.867   0.155   4.612
  400   HG22  VAL  62          HG22      VAL  62  -5.354  -1.116   5.749
  401   HG23  VAL  62          HG23      VAL  62  -4.205   0.091   5.253
  402    H    GLN  63           H        GLN  63  -5.535  -4.585   3.578
  403    HA   GLN  63           HA       GLN  63  -3.946  -5.539   1.425
  404    HB2  GLN  63           HB2      GLN  63  -4.451  -6.861   3.472
  405    HB3  GLN  63           HB3      GLN  63  -6.130  -6.957   3.003
  406    HG2  GLN  63           HG2      GLN  63  -5.344  -8.160   0.854
  407    HG3  GLN  63           HG3      GLN  63  -3.728  -8.194   1.563
  408   HE21  GLN  63          HE21      GLN  63  -6.900  -9.641   1.508
  409   HE22  GLN  63          HE22      GLN  63  -6.539 -10.930   2.647
  410    H    ALA  64           H        ALA  64  -7.542  -5.234   1.603
  411    HA   ALA  64           HA       ALA  64  -7.851  -6.491  -1.000
  412    HB1  ALA  64           HB1      ALA  64  -9.807  -5.024   0.853
  413    HB2  ALA  64           HB2      ALA  64 -10.262  -5.990  -0.566
  414    HB3  ALA  64           HB3      ALA  64  -9.499  -6.776   0.827
  415    H    LEU  65           H        LEU  65  -7.572  -3.185   0.257
  416    HA   LEU  65           HA       LEU  65  -8.378  -1.830  -2.127
  417    HB2  LEU  65           HB2      LEU  65  -6.782  -1.067   0.291
  418    HB3  LEU  65           HB3      LEU  65  -6.927   0.028  -1.055
  419    HG   LEU  65           HG       LEU  65  -9.330  -1.127   0.442
  420   HD11  LEU  65          HD11      LEU  65  -7.991   1.600   0.650
  421   HD12  LEU  65          HD12      LEU  65  -7.966   0.321   1.891
  422   HD13  LEU  65          HD13      LEU  65  -9.492   1.109   1.465
  423   HD21  LEU  65          HD21      LEU  65  -9.093   1.129  -1.603
  424   HD22  LEU  65          HD22      LEU  65 -10.542   0.774  -0.643
  425   HD23  LEU  65          HD23      LEU  65  -9.963  -0.410  -1.813
  426    H    LEU  66           H        LEU  66  -5.243  -2.917  -0.933
  427    HA   LEU  66           HA       LEU  66  -3.619  -2.035  -3.157
  428    HB2  LEU  66           HB2      LEU  66  -3.281  -4.155  -0.995
  429    HB3  LEU  66           HB3      LEU  66  -2.016  -3.767  -2.150
  430    HG   LEU  66           HG       LEU  66  -3.202  -1.565  -0.429
  431   HD11  LEU  66          HD11      LEU  66  -0.974  -3.490   0.361
  432   HD12  LEU  66          HD12      LEU  66  -2.544  -3.291   1.177
  433   HD13  LEU  66          HD13      LEU  66  -1.378  -1.976   1.206
  434   HD21  LEU  66          HD21      LEU  66  -0.973  -0.580  -0.732
  435   HD22  LEU  66          HD22      LEU  66  -1.724  -0.924  -2.300
  436   HD23  LEU  66          HD23      LEU  66  -0.452  -1.996  -1.667
  437    H    GLU  67           H        GLU  67  -5.095  -5.211  -2.358
  438    HA   GLU  67           HA       GLU  67  -4.364  -6.722  -4.613
  439    HB2  GLU  67           HB2      GLU  67  -6.712  -6.642  -2.740
  440    HB3  GLU  67           HB3      GLU  67  -6.773  -7.780  -4.022
  441    HG2  GLU  67           HG2      GLU  67  -4.339  -7.648  -2.202
  442    HG3  GLU  67           HG3      GLU  67  -5.806  -8.460  -1.680
  443    H    GLY  68           H        GLY  68  -7.052  -4.379  -4.318
  444    HA2  GLY  68           HA2      GLY  68  -8.342  -4.797  -6.791
  445    HA3  GLY  68           HA3      GLY  68  -8.300  -3.278  -5.886
  446    H    THR  69           H        THR  69  -5.170  -3.423  -6.311
  447    HA   THR  69           HA       THR  69  -5.112  -1.902  -8.812
  448    HB   THR  69           HB       THR  69  -2.772  -1.552  -8.442
  449    HG1  THR  69           HG1      THR  69  -2.946  -3.255  -6.200
  450   HG21  THR  69          HG21      THR  69  -4.162  -1.306  -5.775
  451   HG22  THR  69          HG22      THR  69  -4.475  -0.283  -7.196
  452   HG23  THR  69          HG23      THR  69  -2.872  -0.302  -6.484
  453    H    GLY  70           H        GLY  70  -5.241  -5.212  -8.274
  454    HA2  GLY  70           HA2      GLY  70  -5.443  -6.738 -10.014
  455    HA3  GLY  70           HA3      GLY  70  -4.518  -5.696 -11.099
  456    H    ARG  71           H        ARG  71  -3.285  -6.509  -7.936
  457    HA   ARG  71           HA       ARG  71  -1.592  -8.751  -8.802
  458    HB2  ARG  71           HB2      ARG  71   0.451  -7.595  -7.883
  459    HB3  ARG  71           HB3      ARG  71  -0.160  -6.945  -9.388
  460    HG2  ARG  71           HG2      ARG  71  -1.325  -5.109  -8.022
  461    HG3  ARG  71           HG3      ARG  71  -0.535  -5.767  -6.593
  462    HD2  ARG  71           HD2      ARG  71   0.713  -3.861  -7.349
  463    HD3  ARG  71           HD3      ARG  71   1.665  -5.313  -7.638
  464    HE   ARG  71           HE       ARG  71   1.561  -4.926  -9.950
  465   HH11  ARG  71          HH11      ARG  71  -1.121  -3.086  -8.583
  466   HH12  ARG  71          HH12      ARG  71  -1.346  -2.264 -10.121
  467   HH21  ARG  71          HH21      ARG  71   1.340  -3.464 -11.712
  468   HH22  ARG  71          HH22      ARG  71  -0.148  -2.538 -11.751
  469    H    GLN  72           H        GLN  72  -0.371  -9.593  -6.893
  470    HA   GLN  72           HA       GLN  72  -2.189  -9.825  -4.646
  471    HB2  GLN  72           HB2      GLN  72  -0.900 -11.722  -5.534
  472    HB3  GLN  72           HB3      GLN  72   0.583 -10.979  -4.935
  473    HG2  GLN  72           HG2      GLN  72   0.282 -12.280  -3.132
  474    HG3  GLN  72           HG3      GLN  72  -0.970 -11.161  -2.620
  475   HE21  GLN  72          HE21      GLN  72  -3.280 -11.690  -3.573
  476   HE22  GLN  72          HE22      GLN  72  -3.643 -13.416  -3.712
  477    H    ALA  73           H        ALA  73  -1.936  -9.199  -2.667
  478    HA   ALA  73           HA       ALA  73   0.400  -7.548  -1.705
  479    HB1  ALA  73           HB1      ALA  73  -1.080  -6.098  -0.482
  480    HB2  ALA  73           HB2      ALA  73  -1.567  -6.092  -2.193
  481    HB3  ALA  73           HB3      ALA  73  -2.508  -7.015  -1.000
  482    H    VAL  74           H        VAL  74   1.276  -8.278   0.115
  483    HA   VAL  74           HA       VAL  74  -0.143 -10.161   1.967
  484    HB   VAL  74           HB       VAL  74   2.617 -10.435   0.724
  485   HG11  VAL  74          HG11      VAL  74   2.929 -12.454   2.114
  486   HG12  VAL  74          HG12      VAL  74   2.865 -10.994   3.098
  487   HG13  VAL  74          HG13      VAL  74   1.444 -12.067   3.004
  488   HG21  VAL  74          HG21      VAL  74   0.794 -11.374  -0.636
  489   HG22  VAL  74          HG22      VAL  74   1.772 -12.675   0.051
  490   HG23  VAL  74          HG23      VAL  74   0.192 -12.276   0.775
  491    H    LEU  75           H        LEU  75   0.001  -9.395   4.008
  492    HA   LEU  75           HA       LEU  75   1.611  -7.038   4.512
  493    HB2  LEU  75           HB2      LEU  75  -0.628  -7.296   5.270
  494    HB3  LEU  75           HB3      LEU  75  -0.161  -8.557   6.369
  495    HG   LEU  75           HG       LEU  75   1.140  -7.026   7.746
  496   HD11  LEU  75          HD11      LEU  75   1.062  -4.464   6.933
  497   HD12  LEU  75          HD12      LEU  75   1.002  -5.178   5.337
  498   HD13  LEU  75          HD13      LEU  75   2.378  -5.485   6.424
  499   HD21  LEU  75          HD21      LEU  75  -1.371  -6.825   7.649
  500   HD22  LEU  75          HD22      LEU  75  -1.064  -5.480   6.486
  501   HD23  LEU  75          HD23      LEU  75  -0.485  -5.375   8.213
  502    H    LYS  76           H        LYS  76   3.333  -6.744   5.706
  503    HA   LYS  76           HA       LYS  76   4.725  -9.121   6.843
  504    HB2  LYS  76           HB2      LYS  76   5.966  -6.533   5.881
  505    HB3  LYS  76           HB3      LYS  76   6.807  -7.954   6.464
  506    HG2  LYS  76           HG2      LYS  76   5.142  -7.749   3.923
  507    HG3  LYS  76           HG3      LYS  76   6.888  -7.821   4.019
  508    HD2  LYS  76           HD2      LYS  76   4.969 -10.084   4.740
  509    HD3  LYS  76           HD3      LYS  76   5.884  -9.926   3.247
  510    HE2  LYS  76           HE2      LYS  76   8.014 -10.063   4.527
  511    HE3  LYS  76           HE3      LYS  76   7.092 -10.271   6.021
  512    HZ1  LYS  76           HZ1      LYS  76   6.149 -12.320   5.068
  513    HZ2  LYS  76           HZ2      LYS  76   7.787 -12.397   5.130
  514    HZ3  LYS  76           HZ3      LYS  76   7.034 -12.143   3.698
  515    H    GLY  77           H        GLY  77   3.827  -5.786   7.682
  516    HA2  GLY  77           HA2      GLY  77   2.994  -6.697  10.228
  517    HA3  GLY  77           HA3      GLY  77   4.605  -5.963  10.423
  518    H    MET  78           H        MET  78   3.984  -4.244  11.666
  519    HA   MET  78           HA       MET  78   2.194  -2.172  10.539
  520    HB2  MET  78           HB2      MET  78   1.978  -3.741  13.091
  521    HB3  MET  78           HB3      MET  78   1.627  -2.010  13.170
  522    HG2  MET  78           HG2      MET  78  -0.025  -2.138  11.485
  523    HG3  MET  78           HG3      MET  78   0.469  -3.734  10.977
  524    HE1  MET  78           HE1      MET  78  -2.101  -5.878  12.206
  525    HE2  MET  78           HE2      MET  78  -1.626  -4.884  10.800
  526    HE3  MET  78           HE3      MET  78  -0.407  -5.850  11.647
  527    H    GLY  79           H        GLY  79   2.891  -0.158  10.723
  528    HA2  GLY  79           HA2      GLY  79   4.246   1.643  11.610
  529    HA3  GLY  79           HA3      GLY  79   5.336   0.475  12.337
  Start of MODEL   20
    1    H    GLY   9           H        GLY   9 -10.579   5.208  14.441
    2    HA2  GLY   9           HA2      GLY   9  -8.975   3.102  13.095
    3    HA3  GLY   9           HA3      GLY   9  -9.309   4.725  12.491
    4    H    THR  10           H        THR  10  -8.198   6.484  13.499
    5    HA   THR  10           HA       THR  10  -6.436   7.648  13.800
    6    HB   THR  10           HB       THR  10  -7.041   7.216  16.081
    7    HG1  THR  10           HG1      THR  10  -4.559   7.476  16.718
    8   HG21  THR  10          HG21      THR  10  -6.546   4.911  16.492
    9   HG22  THR  10          HG22      THR  10  -5.519   5.866  17.543
   10   HG23  THR  10          HG23      THR  10  -4.832   5.135  16.064
   11    H    LEU  11           H        LEU  11  -4.122   8.122  13.738
   12    HA   LEU  11           HA       LEU  11  -3.365   6.763  11.414
   13    HB2  LEU  11           HB2      LEU  11  -2.619   9.192  12.917
   14    HB3  LEU  11           HB3      LEU  11  -1.319   8.528  11.998
   15    HG   LEU  11           HG       LEU  11  -4.073   8.885  10.798
   16   HD11  LEU  11          HD11      LEU  11  -3.689  10.978   9.946
   17   HD12  LEU  11          HD12      LEU  11  -1.971  11.001  10.405
   18   HD13  LEU  11          HD13      LEU  11  -3.249  11.113  11.651
   19   HD21  LEU  11          HD21      LEU  11  -1.369   8.979   9.416
   20   HD22  LEU  11          HD22      LEU  11  -2.976   8.881   8.660
   21   HD23  LEU  11          HD23      LEU  11  -2.326   7.506   9.577
   22    H    CYS  12           H        CYS  12  -2.062   5.326  10.856
   23    HA   CYS  12           HA       CYS  12   0.223   4.424  12.493
   24    HB2  CYS  12           HB2      CYS  12  -0.543   2.162  12.413
   25    HB3  CYS  12           HB3      CYS  12  -1.945   3.130  12.923
   26    HG   CYS  12           HG       CYS  12  -2.852   3.374  10.349
   27    H    THR  13           H        THR  13   1.819   3.254  11.238
   28    HA   THR  13           HA       THR  13   1.659   3.560   8.245
   29    HB   THR  13           HB       THR  13   3.937   2.623  10.015
   30    HG1  THR  13           HG1      THR  13   4.804   4.614   9.578
   31   HG21  THR  13          HG21      THR  13   4.071   1.673   7.730
   32   HG22  THR  13          HG22      THR  13   5.276   2.956   7.937
   33   HG23  THR  13          HG23      THR  13   3.784   3.290   7.037
   34    H    LEU  14           H        LEU  14   1.245   1.871   7.005
   35    HA   LEU  14           HA       LEU  14   1.509  -0.913   8.107
   36    HB2  LEU  14           HB2      LEU  14  -0.692   0.430   6.645
   37    HB3  LEU  14           HB3      LEU  14  -0.300  -1.233   6.187
   38    HG   LEU  14           HG       LEU  14  -0.477  -0.499   9.151
   39   HD11  LEU  14          HD11      LEU  14  -2.754  -1.169   9.134
   40   HD12  LEU  14          HD12      LEU  14  -2.719  -1.308   7.333
   41   HD13  LEU  14          HD13      LEU  14  -2.500   0.278   8.140
   42   HD21  LEU  14          HD21      LEU  14  -1.239  -2.922   9.209
   43   HD22  LEU  14          HD22      LEU  14   0.425  -2.719   8.648
   44   HD23  LEU  14          HD23      LEU  14  -0.872  -3.003   7.475
   45    H    GLU  15           H        GLU  15   2.493  -2.312   7.074
   46    HA   GLU  15           HA       GLU  15   4.197  -1.441   4.746
   47    HB2  GLU  15           HB2      GLU  15   5.062  -3.042   7.183
   48    HB3  GLU  15           HB3      GLU  15   6.063  -2.610   5.790
   49    HG2  GLU  15           HG2      GLU  15   5.553  -0.183   6.296
   50    HG3  GLU  15           HG3      GLU  15   4.831  -0.708   7.819
   51    H    PHE  16           H        PHE  16   3.194  -2.498   3.102
   52    HA   PHE  16           HA       PHE  16   2.712  -5.454   3.339
   53    HB2  PHE  16           HB2      PHE  16   1.641  -3.374   1.399
   54    HB3  PHE  16           HB3      PHE  16   1.399  -5.106   1.236
   55    HD1  PHE  16           HD2      PHE  16   0.554  -2.220   3.430
   56    HD2  PHE  16           HD1      PHE  16  -0.205  -6.330   2.372
   57    HE1  PHE  16           HE2      PHE  16  -1.628  -2.117   4.616
   58    HE2  PHE  16           HE1      PHE  16  -2.386  -6.228   3.554
   59    HZ   PHE  16           HZ       PHE  16  -3.140  -4.104   4.608
   60    H    ALA  17           H        ALA  17   3.497  -6.919   2.020
   61    HA   ALA  17           HA       ALA  17   5.515  -6.149  -0.060
   62    HB1  ALA  17           HB1      ALA  17   5.985  -8.555  -0.156
   63    HB2  ALA  17           HB2      ALA  17   6.136  -7.927   1.500
   64    HB3  ALA  17           HB3      ALA  17   4.697  -8.862   1.035
   65    H    VAL  18           H        VAL  18   5.118  -6.423  -2.273
   66    HA   VAL  18           HA       VAL  18   2.513  -7.500  -3.212
   67    HB   VAL  18           HB       VAL  18   2.183  -5.430  -4.597
   68   HG11  VAL  18          HG11      VAL  18   2.109  -4.830  -1.603
   69   HG12  VAL  18          HG12      VAL  18   1.163  -4.059  -2.883
   70   HG13  VAL  18          HG13      VAL  18   0.869  -5.755  -2.485
   71   HG21  VAL  18          HG21      VAL  18   4.237  -4.259  -2.761
   72   HG22  VAL  18          HG22      VAL  18   4.429  -4.568  -4.494
   73   HG23  VAL  18          HG23      VAL  18   3.205  -3.402  -3.944
   74    H    GLN  19           H        GLN  19   2.348  -7.943  -5.454
   75    HA   GLN  19           HA       GLN  19   4.942  -8.558  -6.700
   76    HB2  GLN  19           HB2      GLN  19   3.244 -10.248  -6.690
   77    HB3  GLN  19           HB3      GLN  19   2.076  -9.175  -7.461
   78    HG2  GLN  19           HG2      GLN  19   3.005 -10.832  -9.035
   79    HG3  GLN  19           HG3      GLN  19   3.308  -9.190  -9.542
   80   HE21  GLN  19          HE21      GLN  19   5.140  -9.603 -10.827
   81   HE22  GLN  19          HE22      GLN  19   6.647 -10.203 -10.129
   82    H    MET  20           H        MET  20   5.920  -6.611  -7.348
   83    HA   MET  20           HA       MET  20   4.940  -5.799 -10.024
   84    HB2  MET  20           HB2      MET  20   5.567  -3.383  -9.465
   85    HB3  MET  20           HB3      MET  20   4.019  -3.985  -8.871
   86    HG2  MET  20           HG2      MET  20   4.731  -4.106  -6.663
   87    HG3  MET  20           HG3      MET  20   6.446  -4.142  -7.084
   88    HE1  MET  20           HE1      MET  20   5.473  -0.883  -4.965
   89    HE2  MET  20           HE2      MET  20   4.138  -2.029  -5.275
   90    HE3  MET  20           HE3      MET  20   5.767  -2.642  -4.871
   91    H    THR  21           H        THR  21   6.522  -4.667 -11.355
   92    HA   THR  21           HA       THR  21   9.283  -5.668 -10.801
   93    HB   THR  21           HB       THR  21   9.235  -6.583 -13.128
   94    HG1  THR  21           HG1      THR  21   7.625  -6.090 -14.269
   95   HG21  THR  21          HG21      THR  21   7.050  -7.764 -11.369
   96   HG22  THR  21          HG22      THR  21   8.790  -8.034 -11.128
   97   HG23  THR  21          HG23      THR  21   8.003  -8.585 -12.618
   98    H    CYS  22           H        CYS  22   7.573  -2.999 -12.369
   99    HA   CYS  22           HA       CYS  22  10.224  -1.793 -12.640
  100    HB2  CYS  22           HB2      CYS  22  10.173  -1.236 -14.839
  101    HB3  CYS  22           HB3      CYS  22   9.430  -2.805 -14.897
  102    H    GLN  23           H        GLN  23  10.067   0.597 -13.195
  103    HA   GLN  23           HA       GLN  23   8.886   1.905 -11.014
  104    HB2  GLN  23           HB2      GLN  23  10.096   2.966 -13.566
  105    HB3  GLN  23           HB3      GLN  23   9.448   4.046 -12.335
  106    HG2  GLN  23           HG2      GLN  23  11.685   2.038 -11.899
  107    HG3  GLN  23           HG3      GLN  23  11.857   3.781 -12.052
  108   HE21  GLN  23          HE21      GLN  23  11.511   1.249  -9.807
  109   HE22  GLN  23          HE22      GLN  23  11.081   2.238  -8.407
  110    H    SER  24           H        SER  24   7.205   1.229 -14.006
  111    HA   SER  24           HA       SER  24   5.163   3.312 -13.531
  112    HB2  SER  24           HB2      SER  24   5.239   0.999 -15.491
  113    HB3  SER  24           HB3      SER  24   4.052   2.319 -15.473
  114    HG   SER  24           HG       SER  24   5.644   2.748 -16.937
  115    H    CYS  25           H        CYS  25   5.609   0.028 -12.413
  116    HA   CYS  25           HA       CYS  25   2.752  -0.443 -11.952
  117    HB2  CYS  25           HB2      CYS  25   5.296  -1.902 -11.157
  118    HB3  CYS  25           HB3      CYS  25   3.655  -2.491 -10.891
  119    H    VAL  26           H        VAL  26   5.593   0.510 -10.122
  120    HA   VAL  26           HA       VAL  26   4.705   0.885  -7.442
  121    HB   VAL  26           HB       VAL  26   6.366   3.060  -8.705
  122   HG11  VAL  26          HG11      VAL  26   6.214   2.709  -6.218
  123   HG12  VAL  26          HG12      VAL  26   7.010   1.102  -6.471
  124   HG13  VAL  26          HG13      VAL  26   7.874   2.590  -6.844
  125   HG21  VAL  26          HG21      VAL  26   7.283   0.219  -8.665
  126   HG22  VAL  26          HG22      VAL  26   7.107   1.290 -10.067
  127   HG23  VAL  26          HG23      VAL  26   8.356   1.641  -8.859
  128    H    ASP  27           H        ASP  27   4.569   3.180 -10.192
  129    HA   ASP  27           HA       ASP  27   3.085   5.236  -8.959
  130    HB2  ASP  27           HB2      ASP  27   4.367   5.066 -11.231
  131    HB3  ASP  27           HB3      ASP  27   2.875   4.421 -11.873
  132    H    ALA  28           H        ALA  28   2.001   2.291 -10.597
  133    HA   ALA  28           HA       ALA  28  -0.799   3.082 -10.717
  134    HB1  ALA  28           HB1      ALA  28   0.338   1.502 -12.293
  135    HB2  ALA  28           HB2      ALA  28   0.435   0.305 -10.989
  136    HB3  ALA  28           HB3      ALA  28  -1.148   0.848 -11.577
  137    H    VAL  29           H        VAL  29   1.041   0.768  -8.584
  138    HA   VAL  29           HA       VAL  29  -1.260   0.299  -6.974
  139    HB   VAL  29           HB       VAL  29   1.671  -0.298  -6.373
  140   HG11  VAL  29          HG11      VAL  29  -0.845  -1.791  -5.554
  141   HG12  VAL  29          HG12      VAL  29   0.817  -2.119  -5.024
  142   HG13  VAL  29          HG13      VAL  29   0.013  -0.634  -4.488
  143   HG21  VAL  29          HG21      VAL  29  -0.395  -2.055  -7.799
  144   HG22  VAL  29          HG22      VAL  29   1.003  -1.344  -8.581
  145   HG23  VAL  29          HG23      VAL  29   1.247  -2.550  -7.327
  146    H    ARG  30           H        ARG  30   1.262   2.765  -6.801
  147    HA   ARG  30           HA       ARG  30   0.559   3.854  -4.219
  148    HB2  ARG  30           HB2      ARG  30   1.561   5.033  -6.862
  149    HB3  ARG  30           HB3      ARG  30   1.196   6.079  -5.501
  150    HG2  ARG  30           HG2      ARG  30   2.931   5.264  -4.187
  151    HG3  ARG  30           HG3      ARG  30   3.160   3.803  -5.172
  152    HD2  ARG  30           HD2      ARG  30   4.271   4.928  -6.888
  153    HD3  ARG  30           HD3      ARG  30   3.505   6.474  -6.506
  154    HE   ARG  30           HE       ARG  30   5.903   5.284  -5.206
  155   HH11  ARG  30          HH11      ARG  30   3.804   8.139  -5.539
  156   HH12  ARG  30          HH12      ARG  30   4.841   9.045  -4.458
  157   HH21  ARG  30          HH21      ARG  30   7.165   6.616  -3.999
  158   HH22  ARG  30          HH22      ARG  30   6.638   8.267  -3.696
  159    H    LYS  31           H        LYS  31  -0.845   4.369  -7.496
  160    HA   LYS  31           HA       LYS  31  -2.583   6.443  -6.503
  161    HB2  LYS  31           HB2      LYS  31  -2.086   5.288  -9.230
  162    HB3  LYS  31           HB3      LYS  31  -3.368   6.495  -8.928
  163    HG2  LYS  31           HG2      LYS  31  -1.831   8.014  -7.858
  164    HG3  LYS  31           HG3      LYS  31  -0.514   6.834  -7.905
  165    HD2  LYS  31           HD2      LYS  31  -0.317   7.031 -10.300
  166    HD3  LYS  31           HD3      LYS  31  -1.710   8.161 -10.360
  167    HE2  LYS  31           HE2      LYS  31  -0.616   9.809  -9.090
  168    HE3  LYS  31           HE3      LYS  31   0.511   8.649  -8.391
  169    HZ1  LYS  31           HZ1      LYS  31   1.613  10.045  -9.983
  170    HZ2  LYS  31           HZ2      LYS  31   0.615   9.549 -11.223
  171    HZ3  LYS  31           HZ3      LYS  31   1.647   8.491 -10.494
  172    H    SER  32           H        SER  32  -3.143   3.082  -6.777
  173    HA   SER  32           HA       SER  32  -5.996   3.203  -6.278
  174    HB2  SER  32           HB2      SER  32  -4.767   1.152  -6.901
  175    HB3  SER  32           HB3      SER  32  -4.006   1.120  -5.300
  176    HG   SER  32           HG       SER  32  -5.819  -0.038  -4.907
  177    H    LEU  33           H        LEU  33  -3.222   3.995  -4.240
  178    HA   LEU  33           HA       LEU  33  -4.822   4.021  -1.731
  179    HB2  LEU  33           HB2      LEU  33  -1.920   4.805  -2.108
  180    HB3  LEU  33           HB3      LEU  33  -2.699   4.315  -0.629
  181    HG   LEU  33           HG       LEU  33  -2.271   2.377  -2.948
  182   HD11  LEU  33          HD11      LEU  33  -0.422   2.951  -0.608
  183   HD12  LEU  33          HD12      LEU  33  -0.094   3.352  -2.293
  184   HD13  LEU  33          HD13      LEU  33  -0.231   1.657  -1.821
  185   HD21  LEU  33          HD21      LEU  33  -2.362   0.718  -1.227
  186   HD22  LEU  33          HD22      LEU  33  -3.840   1.698  -1.158
  187   HD23  LEU  33          HD23      LEU  33  -2.537   1.948   0.047
  188    H    GLN  34           H        GLN  34  -3.061   6.217  -3.915
  189    HA   GLN  34           HA       GLN  34  -2.932   8.384  -2.106
  190    HB2  GLN  34           HB2      GLN  34  -1.237   7.870  -3.660
  191    HB3  GLN  34           HB3      GLN  34  -2.352   7.942  -5.030
  192    HG2  GLN  34           HG2      GLN  34  -2.555  10.296  -4.869
  193    HG3  GLN  34           HG3      GLN  34  -1.634  10.351  -3.350
  194   HE21  GLN  34          HE21      GLN  34  -0.118  11.836  -4.399
  195   HE22  GLN  34          HE22      GLN  34   1.176  11.119  -5.366
  196    H    GLY  35           H        GLY  35  -4.463   9.743  -1.547
  197    HA2  GLY  35           HA2      GLY  35  -6.243  11.261  -1.774
  198    HA3  GLY  35           HA3      GLY  35  -6.532  10.724  -3.431
  199    H    VAL  36           H        VAL  36  -6.279   8.061  -1.197
  200    HA   VAL  36           HA       VAL  36  -9.180   7.609  -1.164
  201    HB   VAL  36           HB       VAL  36  -6.838   6.057  -0.017
  202   HG11  VAL  36          HG11      VAL  36  -8.479   4.286   0.536
  203   HG12  VAL  36          HG12      VAL  36  -8.651   5.722   1.536
  204   HG13  VAL  36          HG13      VAL  36  -9.803   5.424   0.202
  205   HG21  VAL  36          HG21      VAL  36  -8.877   5.414  -2.202
  206   HG22  VAL  36          HG22      VAL  36  -7.186   5.882  -2.480
  207   HG23  VAL  36          HG23      VAL  36  -7.554   4.361  -1.659
  208    H    ALA  37           H        ALA  37 -10.455   8.229   0.345
  209    HA   ALA  37           HA       ALA  37  -9.908   9.993   2.440
  210    HB1  ALA  37           HB1      ALA  37 -12.185   9.360   3.248
  211    HB2  ALA  37           HB2      ALA  37 -12.132   9.636   1.500
  212    HB3  ALA  37           HB3      ALA  37 -12.181   7.977   2.138
  213    H    GLY  38           H        GLY  38  -8.551   9.727   4.045
  214    HA2  GLY  38           HA2      GLY  38  -8.128   8.926   6.299
  215    HA3  GLY  38           HA3      GLY  38  -8.619   7.308   5.816
  216    H    VAL  39           H        VAL  39  -6.693   8.461   3.297
  217    HA   VAL  39           HA       VAL  39  -4.154   7.357   4.449
  218    HB   VAL  39           HB       VAL  39  -5.040   7.680   1.559
  219   HG11  VAL  39          HG11      VAL  39  -2.439   6.568   2.735
  220   HG12  VAL  39          HG12      VAL  39  -2.940   6.440   1.033
  221   HG13  VAL  39          HG13      VAL  39  -2.599   8.023   1.723
  222   HG21  VAL  39          HG21      VAL  39  -4.542   5.186   3.246
  223   HG22  VAL  39          HG22      VAL  39  -6.125   5.779   2.693
  224   HG23  VAL  39          HG23      VAL  39  -4.938   5.222   1.514
  225    H    GLN  40           H        GLN  40  -2.523   8.671   4.868
  226    HA   GLN  40           HA       GLN  40  -2.789  11.569   4.248
  227    HB2  GLN  40           HB2      GLN  40  -1.545   9.948   6.504
  228    HB3  GLN  40           HB3      GLN  40  -1.240  11.655   6.337
  229    HG2  GLN  40           HG2      GLN  40  -3.986  10.398   6.696
  230    HG3  GLN  40           HG3      GLN  40  -3.017  11.205   7.921
  231   HE21  GLN  40          HE21      GLN  40  -5.556  12.085   7.605
  232   HE22  GLN  40          HE22      GLN  40  -5.449  13.710   6.914
  233    H    ASP  41           H        ASP  41  -0.418   8.953   4.214
  234    HA   ASP  41           HA       ASP  41   1.032  10.247   2.029
  235    HB2  ASP  41           HB2      ASP  41   2.361   9.708   4.691
  236    HB3  ASP  41           HB3      ASP  41   3.270   9.429   3.260
  237    H    VAL  42           H        VAL  42   2.558   8.819   1.099
  238    HA   VAL  42           HA       VAL  42   2.477   5.940   1.740
  239    HB   VAL  42           HB       VAL  42   2.321   5.344  -0.662
  240   HG11  VAL  42          HG11      VAL  42  -0.108   5.477  -0.835
  241   HG12  VAL  42          HG12      VAL  42   0.380   5.102   0.829
  242   HG13  VAL  42          HG13      VAL  42  -0.161   6.741   0.405
  243   HG21  VAL  42          HG21      VAL  42   1.289   6.846  -2.295
  244   HG22  VAL  42          HG22      VAL  42   1.293   8.173  -1.120
  245   HG23  VAL  42          HG23      VAL  42   2.825   7.519  -1.733
  246    H    GLU  43           H        GLU  43   4.334   4.834   1.089
  247    HA   GLU  43           HA       GLU  43   6.478   6.276  -0.363
  248    HB2  GLU  43           HB2      GLU  43   6.803   6.851   2.025
  249    HB3  GLU  43           HB3      GLU  43   6.885   5.141   2.442
  250    HG2  GLU  43           HG2      GLU  43   8.915   4.850   1.200
  251    HG3  GLU  43           HG3      GLU  43   8.802   6.475   0.512
  252    H    VAL  44           H        VAL  44   7.227   4.854  -1.893
  253    HA   VAL  44           HA       VAL  44   6.435   1.970  -1.510
  254    HB   VAL  44           HB       VAL  44   5.820   3.586  -3.993
  255   HG11  VAL  44          HG11      VAL  44   5.145   0.728  -3.162
  256   HG12  VAL  44          HG12      VAL  44   4.683   1.560  -4.676
  257   HG13  VAL  44          HG13      VAL  44   6.374   1.161  -4.349
  258   HG21  VAL  44          HG21      VAL  44   3.476   2.877  -3.188
  259   HG22  VAL  44          HG22      VAL  44   4.250   2.695  -1.589
  260   HG23  VAL  44          HG23      VAL  44   4.260   4.270  -2.393
  261    H    HIS  45           H        HIS  45   7.730   0.528  -1.920
  262    HA   HIS  45           HA       HIS  45  10.479   1.248  -2.904
  263    HB2  HIS  45           HB2      HIS  45   9.439  -0.267  -0.503
  264    HB3  HIS  45           HB3      HIS  45  11.084  -0.532  -1.095
  265    HD1  HIS  45           HD1      HIS  45  12.922   1.116  -0.342
  266    HD2  HIS  45           HD2      HIS  45   8.965   2.334   0.498
  267    HE1  HIS  45           HE1      HIS  45  13.102   3.265   1.000
  268    H    LEU  46           H        LEU  46   9.909   0.457  -5.015
  269    HA   LEU  46           HA       LEU  46   9.253  -2.262  -5.566
  270    HB2  LEU  46           HB2      LEU  46   9.266  -0.380  -7.084
  271    HB3  LEU  46           HB3      LEU  46  10.989  -0.302  -7.073
  272    HG   LEU  46           HG       LEU  46  11.279  -2.027  -8.563
  273   HD11  LEU  46          HD11      LEU  46  10.508  -3.982  -7.413
  274   HD12  LEU  46          HD12      LEU  46   9.598  -3.932  -8.883
  275   HD13  LEU  46          HD13      LEU  46   8.811  -3.390  -7.382
  276   HD21  LEU  46          HD21      LEU  46   9.517  -0.453  -9.457
  277   HD22  LEU  46          HD22      LEU  46   8.298  -1.609  -8.822
  278   HD23  LEU  46          HD23      LEU  46   9.408  -2.088 -10.136
  279    H    GLU  47           H        GLU  47  12.223  -0.649  -4.687
  280    HA   GLU  47           HA       GLU  47  13.976  -2.890  -5.131
  281    HB2  GLU  47           HB2      GLU  47  14.470  -0.467  -3.375
  282    HB3  GLU  47           HB3      GLU  47  15.672  -1.585  -4.032
  283    HG2  GLU  47           HG2      GLU  47  15.826  -0.209  -5.805
  284    HG3  GLU  47           HG3      GLU  47  14.280  -0.879  -6.342
  285    H    ASP  48           H        ASP  48  11.674  -2.593  -2.674
  286    HA   ASP  48           HA       ASP  48  12.829  -5.077  -1.499
  287    HB2  ASP  48           HB2      ASP  48  12.277  -2.773  -0.012
  288    HB3  ASP  48           HB3      ASP  48  10.823  -3.694   0.182
  289    H    GLN  49           H        GLN  49  10.690  -4.085  -3.681
  290    HA   GLN  49           HA       GLN  49   8.596  -4.349  -4.353
  291    HB2  GLN  49           HB2      GLN  49   8.728  -7.156  -3.257
  292    HB3  GLN  49           HB3      GLN  49   7.712  -6.534  -4.540
  293    HG2  GLN  49           HG2      GLN  49   9.312  -7.670  -5.737
  294    HG3  GLN  49           HG3      GLN  49   9.823  -5.998  -5.873
  295   HE21  GLN  49          HE21      GLN  49  11.953  -5.494  -5.168
  296   HE22  GLN  49          HE22      GLN  49  13.012  -6.725  -4.476
  297    H    MET  50           H        MET  50   8.797  -3.068  -1.907
  298    HA   MET  50           HA       MET  50   6.480  -4.013  -0.326
  299    HB2  MET  50           HB2      MET  50   8.587  -4.171   0.823
  300    HB3  MET  50           HB3      MET  50   8.956  -2.470   0.500
  301    HG2  MET  50           HG2      MET  50   7.380  -1.681   2.040
  302    HG3  MET  50           HG3      MET  50   6.500  -3.209   2.091
  303    HE1  MET  50           HE1      MET  50   8.301  -5.488   4.431
  304    HE2  MET  50           HE2      MET  50   6.819  -5.093   3.525
  305    HE3  MET  50           HE3      MET  50   8.319  -5.509   2.654
  306    H    VAL  51           H        VAL  51   5.125  -2.445   0.717
  307    HA   VAL  51           HA       VAL  51   5.025   0.297  -0.451
  308    HB   VAL  51           HB       VAL  51   2.468  -1.239   0.143
  309   HG11  VAL  51          HG11      VAL  51   2.566   1.253  -0.380
  310   HG12  VAL  51          HG12      VAL  51   3.239   0.787  -1.967
  311   HG13  VAL  51          HG13      VAL  51   1.593   0.298  -1.521
  312   HG21  VAL  51          HG21      VAL  51   4.016  -1.488  -2.446
  313   HG22  VAL  51          HG22      VAL  51   3.483  -2.779  -1.333
  314   HG23  VAL  51          HG23      VAL  51   2.283  -1.856  -2.241
  315    H    LEU  52           H        LEU  52   5.002   1.820   1.121
  316    HA   LEU  52           HA       LEU  52   3.911   1.150   3.804
  317    HB2  LEU  52           HB2      LEU  52   5.617   3.507   2.966
  318    HB3  LEU  52           HB3      LEU  52   4.897   3.265   4.536
  319    HG   LEU  52           HG       LEU  52   6.274   0.980   4.507
  320   HD11  LEU  52          HD11      LEU  52   8.446   1.164   3.364
  321   HD12  LEU  52          HD12      LEU  52   7.888   2.640   2.548
  322   HD13  LEU  52          HD13      LEU  52   7.123   1.077   2.199
  323   HD21  LEU  52          HD21      LEU  52   6.667   2.902   6.039
  324   HD22  LEU  52          HD22      LEU  52   7.684   3.662   4.793
  325   HD23  LEU  52          HD23      LEU  52   8.172   2.125   5.540
  326    H    VAL  53           H        VAL  53   2.202   2.143   4.601
  327    HA   VAL  53           HA       VAL  53   0.839   4.277   3.041
  328    HB   VAL  53           HB       VAL  53  -0.596   1.814   4.114
  329   HG11  VAL  53          HG11      VAL  53  -1.464   4.046   2.213
  330   HG12  VAL  53          HG12      VAL  53  -2.469   2.694   2.775
  331   HG13  VAL  53          HG13      VAL  53  -1.929   3.923   3.921
  332   HG21  VAL  53          HG21      VAL  53   0.381   2.372   1.314
  333   HG22  VAL  53          HG22      VAL  53   0.699   0.952   2.322
  334   HG23  VAL  53          HG23      VAL  53  -0.925   1.216   1.688
  335    H    HIS  54           H        HIS  54   0.974   5.897   4.420
  336    HA   HIS  54           HA       HIS  54   0.655   5.576   7.337
  337    HB2  HIS  54           HB2      HIS  54   1.084   8.024   5.599
  338    HB3  HIS  54           HB3      HIS  54   1.067   8.020   7.350
  339    HD1  HIS  54           HD1      HIS  54   3.350   7.514   8.517
  340    HD2  HIS  54           HD2      HIS  54   3.207   6.496   4.440
  341    HE1  HIS  54           HE1      HIS  54   5.691   6.734   7.894
  342    H    THR  55           H        THR  55  -1.427   5.213   8.016
  343    HA   THR  55           HA       THR  55  -3.681   6.815   6.922
  344    HB   THR  55           HB       THR  55  -3.307   5.051   5.316
  345    HG1  THR  55           HG1      THR  55  -5.434   5.725   5.922
  346   HG21  THR  55          HG21      THR  55  -3.693   2.689   5.801
  347   HG22  THR  55          HG22      THR  55  -3.910   3.032   7.527
  348   HG23  THR  55          HG23      THR  55  -2.323   3.257   6.764
  349    H    THR  56           H        THR  56  -5.680   6.613   8.001
  350    HA   THR  56           HA       THR  56  -5.697   5.378  10.696
  351    HB   THR  56           HB       THR  56  -7.883   6.430  10.996
  352    HG1  THR  56           HG1      THR  56  -8.615   7.793   9.244
  353   HG21  THR  56          HG21      THR  56  -5.914   7.824  11.407
  354   HG22  THR  56          HG22      THR  56  -7.319   8.755  10.883
  355   HG23  THR  56          HG23      THR  56  -5.998   8.432   9.736
  356    H    LEU  57           H        LEU  57  -6.246   4.130   7.653
  357    HA   LEU  57           HA       LEU  57  -8.721   2.694   8.067
  358    HB2  LEU  57           HB2      LEU  57  -6.446   2.328   6.074
  359    HB3  LEU  57           HB3      LEU  57  -7.991   1.503   5.965
  360    HG   LEU  57           HG       LEU  57  -7.568   4.518   5.702
  361   HD11  LEU  57          HD11      LEU  57  -6.814   3.153   3.771
  362   HD12  LEU  57          HD12      LEU  57  -8.234   4.137   3.384
  363   HD13  LEU  57          HD13      LEU  57  -8.427   2.398   3.692
  364   HD21  LEU  57          HD21      LEU  57  -9.944   4.517   4.982
  365   HD22  LEU  57          HD22      LEU  57  -9.703   4.232   6.713
  366   HD23  LEU  57          HD23      LEU  57 -10.091   2.873   5.637
  367    HA   PRO  58           HA       PRO  58  -7.037  -1.059   9.957
  368    HB2  PRO  58           HB2      PRO  58  -9.071  -2.707   8.610
  369    HB3  PRO  58           HB3      PRO  58  -8.902  -2.353  10.349
  370    HG2  PRO  58           HG2      PRO  58 -10.966  -1.345   8.814
  371    HG3  PRO  58           HG3      PRO  58 -10.232  -0.388  10.144
  372    HD2  PRO  58           HD2      PRO  58  -9.479  -0.376   7.209
  373    HD3  PRO  58           HD3      PRO  58  -9.987   1.015   8.126
  374    H    SER  59           H        SER  59  -5.570  -2.774   9.284
  375    HA   SER  59           HA       SER  59  -4.658  -2.676   6.589
  376    HB2  SER  59           HB2      SER  59  -3.775  -5.141   7.326
  377    HB3  SER  59           HB3      SER  59  -2.956  -3.616   7.560
  378    HG   SER  59           HG       SER  59  -3.950  -3.576   9.733
  379    H    GLN  60           H        GLN  60  -7.202  -4.660   7.932
  380    HA   GLN  60           HA       GLN  60  -7.671  -6.501   5.839
  381    HB2  GLN  60           HB2      GLN  60  -9.811  -5.014   7.403
  382    HB3  GLN  60           HB3      GLN  60  -9.946  -6.566   6.579
  383    HG2  GLN  60           HG2      GLN  60  -9.703  -7.200   8.823
  384    HG3  GLN  60           HG3      GLN  60  -8.084  -7.394   8.204
  385   HE21  GLN  60          HE21      GLN  60  -6.536  -6.390   9.542
  386   HE22  GLN  60          HE22      GLN  60  -7.028  -5.245  10.797
  387    H    GLU  61           H        GLU  61  -8.339  -3.033   5.979
  388    HA   GLU  61           HA       GLU  61  -9.995  -3.005   3.558
  389    HB2  GLU  61           HB2      GLU  61 -10.330  -1.656   5.688
  390    HB3  GLU  61           HB3      GLU  61  -8.933  -0.671   5.182
  391    HG2  GLU  61           HG2      GLU  61 -10.048   0.048   3.210
  392    HG3  GLU  61           HG3      GLU  61 -11.380  -1.101   3.492
  393    H    VAL  62           H        VAL  62  -6.728  -1.868   4.567
  394    HA   VAL  62           HA       VAL  62  -6.048  -0.715   2.047
  395    HB   VAL  62           HB       VAL  62  -4.024  -1.850   4.017
  396   HG11  VAL  62          HG11      VAL  62  -2.706   0.096   3.294
  397   HG12  VAL  62          HG12      VAL  62  -3.231  -0.832   1.882
  398   HG13  VAL  62          HG13      VAL  62  -4.075   0.670   2.307
  399   HG21  VAL  62          HG21      VAL  62  -5.558   0.743   4.393
  400   HG22  VAL  62          HG22      VAL  62  -5.451  -0.641   5.505
  401   HG23  VAL  62          HG23      VAL  62  -4.030   0.328   5.222
  402    H    GLN  63           H        GLN  63  -5.539  -4.008   3.430
  403    HA   GLN  63           HA       GLN  63  -4.066  -5.097   1.228
  404    HB2  GLN  63           HB2      GLN  63  -4.528  -6.289   3.388
  405    HB3  GLN  63           HB3      GLN  63  -6.211  -6.468   2.897
  406    HG2  GLN  63           HG2      GLN  63  -5.500  -7.667   0.842
  407    HG3  GLN  63           HG3      GLN  63  -3.790  -7.446   1.276
  408   HE21  GLN  63          HE21      GLN  63  -5.497  -9.909   0.816
  409   HE22  GLN  63          HE22      GLN  63  -5.123 -10.877   2.235
  410    H    ALA  64           H        ALA  64  -7.659  -4.576   1.515
  411    HA   ALA  64           HA       ALA  64  -8.035  -5.944  -1.020
  412    HB1  ALA  64           HB1      ALA  64  -9.772  -6.098   0.599
  413    HB2  ALA  64           HB2      ALA  64  -9.813  -4.342   0.857
  414    HB3  ALA  64           HB3      ALA  64 -10.402  -5.030  -0.674
  415    H    LEU  65           H        LEU  65  -7.436  -2.608   0.031
  416    HA   LEU  65           HA       LEU  65  -8.057  -1.333  -2.438
  417    HB2  LEU  65           HB2      LEU  65  -6.396  -0.596  -0.055
  418    HB3  LEU  65           HB3      LEU  65  -6.416   0.415  -1.472
  419    HG   LEU  65           HG       LEU  65  -8.970  -0.424  -0.013
  420   HD11  LEU  65          HD11      LEU  65  -7.576   0.839   1.534
  421   HD12  LEU  65          HD12      LEU  65  -8.929   1.831   0.996
  422   HD13  LEU  65          HD13      LEU  65  -7.309   2.103   0.304
  423   HD21  LEU  65          HD21      LEU  65  -8.383   1.805  -2.012
  424   HD22  LEU  65          HD22      LEU  65  -9.924   1.565  -1.156
  425   HD23  LEU  65          HD23      LEU  65  -9.367   0.353  -2.308
  426    H    LEU  66           H        LEU  66  -5.098  -2.698  -1.119
  427    HA   LEU  66           HA       LEU  66  -3.366  -2.268  -3.391
  428    HB2  LEU  66           HB2      LEU  66  -3.316  -4.206  -1.042
  429    HB3  LEU  66           HB3      LEU  66  -2.000  -4.070  -2.194
  430    HG   LEU  66           HG       LEU  66  -2.955  -1.587  -0.723
  431   HD11  LEU  66          HD11      LEU  66  -2.575  -3.204   1.067
  432   HD12  LEU  66          HD12      LEU  66  -1.261  -2.039   1.018
  433   HD13  LEU  66          HD13      LEU  66  -1.017  -3.669   0.345
  434   HD21  LEU  66          HD21      LEU  66  -1.346  -1.323  -2.574
  435   HD22  LEU  66          HD22      LEU  66  -0.244  -2.478  -1.786
  436   HD23  LEU  66          HD23      LEU  66  -0.606  -0.923  -1.016
  437    H    GLU  67           H        GLU  67  -5.258  -5.146  -2.351
  438    HA   GLU  67           HA       GLU  67  -4.660  -6.881  -4.519
  439    HB2  GLU  67           HB2      GLU  67  -6.980  -6.523  -2.618
  440    HB3  GLU  67           HB3      GLU  67  -7.042  -7.787  -3.791
  441    HG2  GLU  67           HG2      GLU  67  -4.880  -8.700  -2.935
  442    HG3  GLU  67           HG3      GLU  67  -4.822  -7.496  -1.707
  443    H    GLY  68           H        GLY  68  -7.113  -4.314  -4.272
  444    HA2  GLY  68           HA2      GLY  68  -8.504  -4.739  -6.711
  445    HA3  GLY  68           HA3      GLY  68  -8.352  -3.207  -5.844
  446    H    THR  69           H        THR  69  -5.218  -3.929  -6.452
  447    HA   THR  69           HA       THR  69  -5.037  -2.443  -9.003
  448    HB   THR  69           HB       THR  69  -2.629  -2.382  -8.609
  449    HG1  THR  69           HG1      THR  69  -3.009  -3.908  -6.289
  450   HG21  THR  69          HG21      THR  69  -4.055  -0.790  -7.456
  451   HG22  THR  69          HG22      THR  69  -2.619  -1.180  -6.516
  452   HG23  THR  69          HG23      THR  69  -4.168  -1.856  -6.037
  453    H    GLY  70           H        GLY  70  -5.592  -5.642  -8.209
  454    HA2  GLY  70           HA2      GLY  70  -5.826  -7.447  -9.657
  455    HA3  GLY  70           HA3      GLY  70  -4.925  -6.595 -10.914
  456    H    ARG  71           H        ARG  71  -3.500  -6.817  -7.719
  457    HA   ARG  71           HA       ARG  71  -1.479  -8.808  -8.642
  458    HB2  ARG  71           HB2      ARG  71  -1.075  -6.160  -7.181
  459    HB3  ARG  71           HB3      ARG  71   0.203  -7.317  -7.559
  460    HG2  ARG  71           HG2      ARG  71   0.005  -6.914  -9.927
  461    HG3  ARG  71           HG3      ARG  71  -1.472  -5.952  -9.719
  462    HD2  ARG  71           HD2      ARG  71  -0.244  -4.304  -8.372
  463    HD3  ARG  71           HD3      ARG  71   1.244  -5.199  -8.595
  464    HE   ARG  71           HE       ARG  71  -0.210  -3.563 -10.596
  465   HH11  ARG  71          HH11      ARG  71   2.419  -5.889 -10.271
  466   HH12  ARG  71          HH12      ARG  71   3.089  -5.412 -11.818
  467   HH21  ARG  71          HH21      ARG  71   0.734  -2.944 -12.337
  468   HH22  ARG  71          HH22      ARG  71   2.359  -3.481 -12.750
  469    H    GLN  72           H        GLN  72  -0.494  -9.979  -7.029
  470    HA   GLN  72           HA       GLN  72  -1.864 -10.468  -4.553
  471    HB2  GLN  72           HB2      GLN  72  -0.397 -12.072  -5.699
  472    HB3  GLN  72           HB3      GLN  72   1.016 -11.085  -5.321
  473    HG2  GLN  72           HG2      GLN  72   1.000 -12.888  -3.776
  474    HG3  GLN  72           HG3      GLN  72   0.488 -11.484  -2.857
  475   HE21  GLN  72          HE21      GLN  72  -0.334 -13.286  -1.357
  476   HE22  GLN  72          HE22      GLN  72  -1.903 -13.964  -1.730
  477    H    ALA  73           H        ALA  73  -1.616  -9.794  -2.676
  478    HA   ALA  73           HA       ALA  73   0.470  -7.822  -1.760
  479    HB1  ALA  73           HB1      ALA  73  -2.538  -7.566  -1.327
  480    HB2  ALA  73           HB2      ALA  73  -1.275  -6.493  -0.684
  481    HB3  ALA  73           HB3      ALA  73  -1.569  -6.572  -2.436
  482    H    VAL  74           H        VAL  74   1.363  -8.539   0.045
  483    HA   VAL  74           HA       VAL  74  -0.116 -10.249   2.010
  484    HB   VAL  74           HB       VAL  74   2.651 -10.695   0.882
  485   HG11  VAL  74          HG11      VAL  74   2.809 -12.618   2.492
  486   HG12  VAL  74          HG12      VAL  74   2.835 -11.048   3.291
  487   HG13  VAL  74          HG13      VAL  74   1.343 -12.019   3.297
  488   HG21  VAL  74          HG21      VAL  74   1.763 -12.978   0.390
  489   HG22  VAL  74          HG22      VAL  74   0.180 -12.476   1.029
  490   HG23  VAL  74          HG23      VAL  74   0.842 -11.715  -0.440
  491    H    LEU  75           H        LEU  75  -0.169  -9.169   3.810
  492    HA   LEU  75           HA       LEU  75   1.490  -6.884   4.361
  493    HB2  LEU  75           HB2      LEU  75  -0.795  -7.180   5.058
  494    HB3  LEU  75           HB3      LEU  75  -0.353  -8.432   6.165
  495    HG   LEU  75           HG       LEU  75   0.713  -6.916   7.682
  496   HD11  LEU  75          HD11      LEU  75   2.176  -5.452   6.523
  497   HD12  LEU  75          HD12      LEU  75   0.901  -4.373   6.936
  498   HD13  LEU  75          HD13      LEU  75   0.955  -5.025   5.302
  499   HD21  LEU  75          HD21      LEU  75  -1.211  -5.253   6.135
  500   HD22  LEU  75          HD22      LEU  75  -0.893  -5.159   7.903
  501   HD23  LEU  75          HD23      LEU  75  -1.763  -6.574   7.223
  502    H    LYS  76           H        LYS  76   3.155  -6.571   5.640
  503    HA   LYS  76           HA       LYS  76   4.548  -8.956   6.792
  504    HB2  LYS  76           HB2      LYS  76   5.706  -6.311   5.831
  505    HB3  LYS  76           HB3      LYS  76   6.609  -7.546   6.674
  506    HG2  LYS  76           HG2      LYS  76   5.235  -7.910   3.962
  507    HG3  LYS  76           HG3      LYS  76   6.965  -7.677   4.252
  508    HD2  LYS  76           HD2      LYS  76   6.855  -9.764   5.735
  509    HD3  LYS  76           HD3      LYS  76   5.254 -10.067   5.022
  510    HE2  LYS  76           HE2      LYS  76   6.109 -10.533   2.917
  511    HE3  LYS  76           HE3      LYS  76   7.572  -9.556   3.180
  512    HZ1  LYS  76           HZ1      LYS  76   7.991 -12.006   3.295
  513    HZ2  LYS  76           HZ2      LYS  76   7.068 -12.064   4.672
  514    HZ3  LYS  76           HZ3      LYS  76   8.449 -11.163   4.611
  515    H    GLY  77           H        GLY  77   3.585  -5.648   7.624
  516    HA2  GLY  77           HA2      GLY  77   2.471  -6.372  10.036
  517    HA3  GLY  77           HA3      GLY  77   4.132  -5.926  10.438
  518    H    MET  78           H        MET  78   2.745  -4.326  11.685
  519    HA   MET  78           HA       MET  78   2.078  -1.876  10.221
  520    HB2  MET  78           HB2      MET  78   2.062  -2.494  13.200
  521    HB3  MET  78           HB3      MET  78   1.560  -0.997  12.418
  522    HG2  MET  78           HG2      MET  78  -0.521  -1.979  12.492
  523    HG3  MET  78           HG3      MET  78   0.042  -2.648  10.988
  524    HE1  MET  78           HE1      MET  78  -1.151  -4.809  10.649
  525    HE2  MET  78           HE2      MET  78  -1.745  -5.823  11.983
  526    HE3  MET  78           HE3      MET  78  -2.254  -4.122  11.863
  527    H    GLY  79           H        GLY  79   3.269  -0.071  10.325
  528    HA2  GLY  79           HA2      GLY  79   6.161  -0.523  10.329
  529    HA3  GLY  79           HA3      GLY  79   5.330   0.907   9.748