*HEADER    TRANSCRIPTION                           14-FEB-07   2L56              
*TITLE     NMR STRUCTURE OF THE GCN4 TRIGGER PEPTIDE                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AMINO ACID BIOSYNTHESIS REGULATORY PROTEIN;                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: FMOC SYNTHESIS                                        
*KEYWDS    GCN4, COILED-COIL, TRIGGER PEPTIDE                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.M.MATOUSEK, A.T.ALEXANDRESCU                                        
*REVDAT   2   23-FEB-11 2L56    1       H-BONDS CONSTRAINTS UPDATED    
*REVDAT   1   01-DEC-10 2L56    0                                                

#AUTHOR USED MR FILE FROM PDB ENTRY 2OVN.

!set message=off echo=off end
!
! Weak NOE = 5.0, Medium NOE = 3.5, Strong NOE = 2.7
!
! W 1.8 0.0 5.0
! M 1.8 0.0 3.5
! S 1.8 0.0 2.7
!
! CSPKRYH # +1.0
! Tyr, Phe # +2.0
! Leu, Ile # +2.5
! Ala, Thr # +1.5
!
! H-BONDS
NOE      Hydrogen-atom pair         NOE upper
                                        bound [nm]
seq. nr.
   1     HN(31)   -     HA(30)           0.350
   2     HN(31)   -     HN(30)           0.500
   3     HN(30)   -     HA(29)           0.350
   4     HN(30)   -     HN(29)           0.500
   5     HN(30)   -     HN(28)           0.350
   6     HN(29)   -     HA(28)           0.350
   7     HN(29)   -     HA(26)           0.500
   8     HN(29)   -     HA(25)           0.500
   9     HN(29)   -     HN(28)           0.270
  10     HN(28)   -     HA(27)           0.350
  11     HN(28)   -     HA(25)           0.500
  12     HN(28)   -     HN(27)           0.270
  13     HN(28)   -     HN(26)           0.500
  14     HN(27)   -     HN(26)           0.270
  15     HN(27)   -     HN(25)           0.500
  16     HN(26)   -     HA(25)           0.350
  17     HN(26)   -     HA(23)           0.350
  18     HN(26)   -     HA(22)           0.500
  19     HN(26)   -     HN(25)           0.350
  20     HN(26)   -     HN(24)           0.500
  21     HN(25)   -     HA(24)           0.350
  22     HN(25)   -     HA(22)           0.350
  23     HN(25)   -     HA(21)           0.500
  24     HN(25)   -     HN(24)           0.270
  25     HN(24)   -     HA(23)           0.350
  26     HN(24)   -     HA(22)           0.500
  27     HN(24)   -     HA(21)           0.350
  28     HN(24)   -     HN(23)           0.350
  29     HN(24)   -     HN(22)           0.500
  30     HN(23)   -     HA(22)           0.350
  31     HN(23)   -     HA(21)           0.500
  32     HN(23)   -     HA(20)           0.350
  33     HN(23)   -     HA(19)           0.500
  34     HN(23)   -     HN(22)           0.270
  35     HN(23)   -     HN(21)           0.500
  36     HN(22)   -     HA(21)           0.350
  37     HN(22)   -     HA(19)           0.500
  38     HN(22)   -     HA(20)           0.500
  39     HN(22)   -     HN(21)           0.350
  40     HN(22)   -     HN(20)           0.500
  41     HN(21)   -     HA(20)           0.350
  42     HN(21)   -     HA(18)           0.500
  43     HN(21)   -     HA(17)           0.500
  44     HN(21)   -     HN(20)           0.270
  45     HN(21)   -     HN(19)           0.500
  46     HN(20)   -     HA(19)           0.350
  47     HN(20)   -     HA(18)            0.500
  48     HN(20)   -     HA(17)           0.500
  49     HN(20)   -     HN(18)           0.500
  50     HN(20)   -     HN(19)           0.270
  51     HN(19)   -     HA(18)           0.350
  52     HN(19)   -     HN(18)           0.500
  53     HN(18)   -     HN(17)           0.500
  54     HN(18)   -     HN(16)           0.500
  55     HN(17)   -     HA(16)           0.500
  56     HN(17)   -     HN(16)           0.500
  57     HA(16)   -   HB1(19)            0.500
 58  HA(16) -  HB2(19) 0.500
 59  HA(17) -  HB@(20) 0.590
 60  HA(18) -  HB@(21) 0.440
 61  HA(19) -  HB@(22) 0.440
 62  HA(19) -  HG@(22) 0.590
 63  HA(20) -   HB(23) 0.350
 64  HA(21) -  HB@(24) 0.450
 65  HA(22) -  HB1(25) 0.350
 66  HA(22) -  HB2(25) 0.350
 67  HA(23) -  HB@(26) 0.440
 68  HA(24) -  HB1(27) 0.500
 69  HA(24) -  HB2(27) 0.500
 70  HA(26) -  HB@(29) 0.440
 71  HA(27) -   HB(30) 0.500
 72  HN(20) -  HB@(20) 0.360
 73  HN(20) -  HG@(20) 0.360
 74  HN(20) -  HB1(19) 0.350
 75  HN(20) -  HB2(19) 0.350
 76  HN(20) -  HD@(19) 0.720
 77  HN(21) -  HB@(21) 0.360
 78  HN(21) -  HB@(20) 0.590
 79  HN(21) -  HG@(20) 0.590
 80  HN(21) -  HG@(25) 0.590
 81  HN(22) -  HB@(22) 0.360
 82  HN(22) -  HG@(22) 0.440
 83  HN(22) -  HB@(21) 0.440
 84  HN(22) -  HG@(23) 0.570
 85  HN(17) -  HD@(17) 0.710
 86  HN(21) -  HD@(21) 0.600
 87  HN(29) -  HB@(29) 0.440
 88  HN(29) -   HG(29) 0.350
 89  HN(24) -   HB(23) 0.350
 90  HN(24) -  HB@(24) 0.520
 91  HN(24) - HG1@(23) 0.700
 92  HN(24) - HG2@(23) 0.700
 93  HN(24) -  HB@(25) 0.690
 94  HN(19) -  HB1(18) 0.500
 95  HN(19) -  HB2(18) 0.500
 96  HN(30) -   HB(30) 0.350
 97  HN(30) -  HB@(29) 0.590
 98  HN(30) -   HG(29) 0.270
 99  HN(30) -  HG@(30) 0.570
100  HN(19) -  HB@(19) 0.590
101  HN(23) -   HB(23) 0.600
102  HN(23) -  HG@(22) 0.440
103  HN(23) -  HB@(22) 0.440
104  HN(23) -  HG@(23) 0.680
105  HN(25) -  HB@(22) 0.590
106  HN(25) -  HB2(25) 0.350
107  HN(25) -  HB1(25) 0.350
108  HN(25) -  HG2(25) 0.500
109  HN(25) -  HG1(25) 0.500
110  HN(25) -  HB@(24) 0.400
111  HN(26) -  HB1(25) 0.350
112  HN(26) -  HB2(25) 0.350
113  HN(26) -  HG2(25) 0.500
114  HN(26) -  HG1(25) 0.500
115  HN(26) -  HB1(26) 0.350
116  HN(26) -  HB2(26) 0.350
117  HN(26) - HD1@(26) 0.600
118  HN(26) - HD2@(26) 0.600
119 HE1(18) -  HB@(18) 0.590
120 HE1(18) - HD1@(19) 0.600
121 HE1(18) - HD2@(19) 0.600
122 HE1(18) -  HE@(17) 0.710
123 HE1(18) -  HD@(17) 0.710
124 HD@(17) -  HB1(17) 0.560
125 HD@(17) -  HB2(17) 0.560
126 HD@(17) - HD1@(19) 0.810
  127 HD@(17) - HD2@(19)  0.810
  128 HD@(17) -    HA(17) 0.560
  129 HE@(17) -    HA(17) 0.810
  130 HE@(17) - HB1(17)   0.810
  131 HE@(17) - HB2(17)   0.810
  132 HE@(17) - HD1@(19)  0.760
  133 HE@(17) - HD2@(19)  0.760
  134 HD2(18) - HB@(18)   0.360
  135 HD2(18) - HD1@(19)  0.600
  136 HD2(18) - HD2@(19)  0.600
  137 HD2(18) -    HA(18) 0.350
  138 HE1(18) - HG@(22)   0.590
  139 HD2(18) - HB@(20)   0.590
  140 HD2(18) - HG@(20)   0.590
  141 HD2(18) - HG@(22)   0.590
  142 HD@(17) - HB@(20)   0.850
  143 HE@(17) - HB@(22)   0.850
  144 HD@(17) - HG@(20)   0.800
  145 HD@(17) - HG@(22)   0.800
  146 HE@(17) - HG@(20)   0.800
  147 HE@(17) - HG@(22)   0.800
  148 HG@(22) - HD1(25)   0.440
  149 HG@(22) - HD2(25)   0.440
  150 HD1(25) - HB@(21)   0.590
  151 HD1(25) -    HA(25) 0.500
  152 HD1(25) -    HA(22) 0.500
  153 HD2(25) - HB@(21)   0.590
  154 HD2(25) -    HA(25) 0.500
  155 HD2(25) -    HA(22) 0.350
  156 HD1@(26) - HB@(25)  0.540
  157 HD2@(26) - HB@(25)  0.540
  158   HA(22) - HG@(25)  0.440
  159 HG@(22) - HB@(19)   0.680
  160 HG@(22) - HG@(23)   0.810
  161 HG@(22) - HD@(19)   0.660
  162 HB@(22) - HB@(19)   0.680
  163 HB@(22) - HB@(26)   0.680
  164 HB@(22) - HD@(25)   0.680
  165 HB@(22) -    HA(19) 0.440
  166 HB@(24) - HB@(21)   0.640
  167   HA(21) - HB@(20)  0.590
  168   HA(21) - HG@(20)  0.590
  169   HA(18) - HB1(19)  0.550
  170   HA(18) - HB2(19)  0.550
  171   HA(17) - HG@(20)  0.590
  172 HB@(17) - HD@(19)   0.660
  173 HB@(17) - HB@(19)   0.530
  174   HA(16) - HD@@(19) 0.720
  175   HA(23) - HB@(26)  0.590
  176   HA(23) -   HG(26) 0.500
  177   HA(23) - HG@(22)  0.590
  178 HG@(23) - HG@(22)   0.810
  179 HG@(23) -    HA(20) 0.720
 

!
! NORMAL restraints!
!


assign (resid {G} 31 and name HN)(resid {V} 30 and name HA) 1.8 0.0 1.7 {M}
assign (resid {G} 31 and name HN)(resid {V} 30 and name HN) 1.8 0.0 3.2 {W}

assign (resid {V} 30 and name HN)(resid {L} 29 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HN) 1.8 0.0 3.2 {S}
assign (resid {V} 30 and name HN)(resid {K} 28 and name HN) 1.8 0.0 1.7 {M}

assign (resid {L} 29 and name HN)(resid {K} 28 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 29 and name HN)(resid {L} 26 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 29 and name HN)(resid {R} 25 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 29 and name HN)(resid {K} 28 and name HN) 1.8 0.0 0.9 {S}

assign (resid {K} 28 and name HN)(resid {K} 27 and name HA) 1.8 0.0 1.7 {M}
assign (resid {K} 28 and name HN)(resid {R} 25 and name HA) 1.8 0.0 3.2 {W}
assign (resid {K} 28 and name HN)(resid {K} 27 and name HN) 1.8 0.0 0.9 {S}
assign (resid {K} 28 and name HN)(resid {L} 26 and name HN) 1.8 0.0 3.2 {W}

assign (resid {K} 27 and name HN)(resid {L} 26 and name HN) 1.8 0.0 0.9 {S}
assign (resid {K} 27 and name HN)(resid {R} 25 and name HN) 1.8 0.0 3.2 {W}

assign (resid {L} 26 and name HN)(resid {R} 25 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {V} 23 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {E} 22 and name HA) 1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HN) 1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {A} 24 and name HN) 1.8 0.0 3.2 {W}

assign (resid {R} 25 and name HN)(resid {A} 24 and name HA) 1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {E} 22 and name HA) 1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {N} 21 and name HA) 1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {A} 24 and name HN) 1.8 0.0 0.9 {S}

assign (resid {A} 24 and name HN)(resid {V} 23 and name HA) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {E} 22 and name HA) 1.8 0.0 3.2 {W}
assign (resid {A} 24 and name HN)(resid {N} 21 and name HA) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HN) 1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {E} 22 and name HN) 1.8 0.0 3.2 {W}

assign (resid {V} 23 and name HN)(resid {E} 22 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 23 and name HN)(resid {N} 21 and name HA) 1.8 0.0 3.2 {W}
assign (resid {V} 23 and name HN)(resid {E} 20 and name HA) 1.8 0.0 1.7 {M}
assign (resid {V} 23 and name HN)(resid {L} 19 and name HA) 1.8 0.0 3.2 {W}
assign (resid {V} 23 and name HN)(resid {E} 22 and name HN) 1.8 0.0 0.9 {S}
assign (resid {V} 23 and name HN)(resid {N} 21 and name HN) 1.8 0.0 3.2 {W}

assign (resid {E} 22 and name HN)(resid {N} 21 and name HA) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HN)(resid {L} 19 and name HA) 1.8 0.0 3.2 {W}
assign (resid {E} 22 and name HN)(resid {E} 20 and name HA) 1.8 0.0 3.2 {W}
assign (resid {E} 22 and name HN)(resid {N} 21 and name HN) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HN)(resid {E} 20 and name HN) 1.8 0.0 3.2 {W}

assign (resid {N} 21 and name HN)(resid {E} 20 and name HA) 1.8 0.0 1.7 {M}
assign (resid {N} 21 and name HN)((resid {H} 18 and name HA) 
        or (resid {Y} 17 and name HA)) 1.8 0.0 3.2 {W}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HN) 1.8 0.0 0.9 {S}
assign (resid {N} 21 and name HN)(resid {L} 19 and name HN) 1.8 0.0 3.2 {W}

assign (resid {E} 20 and name HN)(resid {L} 19 and name HA) 1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)((resid {H} 18 and name HA)
          or (resid {Y} 17 and name HA)) 1.8 0.0 3.2 {W}
assign (resid {E} 20 and name HN)(resid {H} 18 and name HN) 1.8 0.0 3.2 {W}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HN) 1.8 0.0 0.9 {S}

assign (resid {L} 19 and name HN)(resid {H} 18 and name HA) 1.8 0.0 1.7 {M}
assign (resid {L} 19 and name HN)(resid {H} 18 and name HN) 1.8 0.0 3.2 {W}

assign (resid {H} 18 and name HN)(resid {Y} 17 and name HN) 1.8 0.0 3.2 {W}
!assign (resid {H} 18 and name HN)(resid {N} 16 and name HN) 1.8 0.0 3.2 {W}

assign (resid {Y} 17 and name HN)(resid {N} 16 and name HA) 1.8 0.0 3.2 {W}
!assign (resid {Y} 17 and name HN)(resid {N} 16 and name HN) 1.8 0.0 3.2 {W}

!*** A -> B i+3

assign (resid {N} 16 and name HA)(resid {L} 19 and name HB1) 1.8 0.0 3.2 {W}
assign (resid {N} 16 and name HA)(resid {L} 19 and name HB2) 1.8 0.0 3.2 {W}

assign (resid {Y} 17 and name HA)(resid {E} 20 and name HB#) 1.8 0.0 4.2 {w}

assign (resid {H} 18 and name HA)(resid {N} 21 and name HB#) 1.8 0.0 2.7 {M}

assign (resid {L} 19 and name HA)(resid {E} 22 and name HB#) 1.8 0.0 2.7 {M}
assign (resid {L} 19 and name HA)(resid {E} 22 and name HG#) 1.8 0.0 4.2 {W}

assign (resid {E} 20 and name HA)(resid {V} 23 and name HB)  1.8 0.0 1.7 {M}

assign (resid {N} 21 and name HA)(resid {A} 24 and name HB#) 1.8 0.0 3.2 {M}

assign (resid {E} 22 and name HA)(resid {R} 25 and name HB1) 1.8 0.0 1.7 {M}
assign (resid {E} 22 and name HA)(resid {R} 25 and name HB2) 1.8 0.0 1.7 {M}

assign (resid {V} 23 and name HA)((resid {L} 26 and name HB1)
          or (resid {L} 26 and name HB2)) 1.8 0.0 1.7 {M}

assign (resid {A} 24 and name HA)(resid {K} 27 and name HB1) 1.8 0.0 3.2 {W}
assign (resid {A} 24 and name HA)(resid {K} 27 and name HB2) 1.8 0.0 3.2 {W}

assign (resid {L} 26 and name HA)(resid {L} 29 and name HB#) 1.8 0.0 2.7 {M}

assign (resid {K} 27 and name HA)(resid {V} 30 and name HB)  1.8 0.0 3.2 {W}

!*** NH -> B


assign (resid {E} 20 and name HN)(resid {E} 20 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {E} 20 and name HN)(resid {E} 20 and name HG#)  1.8 0.0 1.9 {S}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {E} 20 and name HN)(resid {L} 19 and name HD*)  1.8 0.0 5.7 {W}

assign (resid {N} 21 and name HN)(resid {N} 21 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {N} 21 and name HN)(resid {E} 20 and name HG#)  1.8 0.0 4.2 {W}
assign (resid {N} 21 and name HN)(resid {R} 25 and name HG#)  1.8 0.0 4.2 {W}

assign (resid {E} 22 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {E} 22 and name HN)(resid {E} 22 and name HG#)  1.8 0.0 2.7 {M}
assign (resid {E} 22 and name HN)(resid {N} 21 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {E} 22 and name HN)(resid {V} 23 and name HG*)  1.8 0.0 4.2 {W}

assign (resid {Y} 17 and name HN) ((resid {Y} 17 and name HD1) or
              (resid {Y} 17 and name HD2))   1.8 0.0 3.2 {W}
assign (resid {N} 21 and name HN)((resid {N} 21 and name HD21) 
    or (resid {N} 21 and name HD22)) 1.8 0.0 3.2 {W}

assign (resid {L} 29 and name HN)(resid {L} 29 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {L} 29 and name HN)(resid {L} 29 and name HG)   1.8 0.0 1.7 {M}

assign (resid {A} 24 and name HN)(resid {V} 23 and name HB)  1.8 0.0 1.7 {M}
assign (resid {A} 24 and name HN)(resid {A} 24 and name HB#)  1.8 0.0 2.4 {S}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HG1#)  1.8 0.0 4.2 {M}
assign (resid {A} 24 and name HN)(resid {V} 23 and name HG2#)  1.8 0.0 4.2 {M}
assign (resid {A} 24 and name HN)(resid {R} 25 and name HB#)  1.8 0.0 4.2 {W}

assign (resid {L} 19 and name HN)(resid {H} 18 and name HB1)  1.8 0.0 3.2 {W}
assign (resid {L} 19 and name HN)(resid {H} 18 and name HB2)  1.8 0.0 3.2 {W}

assign (resid {V} 30 and name HN)(resid {V} 30 and name HB)  1.8 0.0 1.7 {M}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {V} 30 and name HN)(resid {L} 29 and name HG)  1.8 0.0 0.9 {S}
assign (resid {V} 30 and name HN)((resid {V} 30 and name HG1#) or 
    (resid {V} 30 and name HG2#))  1.8 0.0 3.2 {M}

assign (resid {L} 19 and name HN)(resid {L} 19 and name HB#)  1.8 0.0 4.2 {W}

assign (resid {v} 23 and name HN)(resid {V} 23 and name HB)  1.8 0.0 4.2 {S}
assign (resid {V} 23 and name HN)(resid {E} 22 and name HG#)  1.8 0.0 2.7 {M}
assign (resid {v} 23 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 2.7 {M}
assign (resid {V} 23 and name HN)((resid {V} 23 and name HG1#) or
      (resid {V} 23 and name HG2#))  1.8 0.0 4.3 {S}

assign (resid {R} 25 and name HN)(resid {E} 22 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HG2)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {R} 25 and name HG1)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HN)(resid {A} 24 and name HB#)  1.8 0.0 2.7 {M}

assign (resid {L} 26 and name HN)(resid {R} 25 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HG2)  1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {R} 25 and name HG1)  1.8 0.0 3.2 {W}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HB1)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HB2)  1.8 0.0 1.7 {M}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {L} 26 and name HN)(resid {L} 26 and name HD2#)  1.8 0.0 4.7 {W}

! Aromatics

assign (resid {H} 18 and name HE1)(resid {H} 18 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {H} 18 and name HE1)(resid {L} 19 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HE1)(resid {L} 19 and name HD2#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HE1) ((resid {Y} 17 and name HE1) or
              (resid {Y} 17 and name HE2))   1.8 0.0 3.2 {W}
assign (resid {H} 18 and name HE1) ((resid {Y} 17 and name HD1) or
              (resid {Y} 17 and name HD2))   1.8 0.0 3.2 {W}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HB1) 1.8 0.0 1.7 {M}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HB2) 1.8 0.0 1.7 {M}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HD1#) 1.8 0.0 4.7 {W}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HD2#) 1.8 0.0 4.7 {W}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {Y} 17 and name HA)  1.8 0.0 1.7 {m}

assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HA)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HB1)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {Y} 17 and name HB2)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) (resid {L} 19 and name HD1#)  1.8 0.0 4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) (resid {L} 19 and name HD2#)  1.8 0.0 4.2 {W}

assign (resid {H} 18 and name HD2)(resid {H} 18 and name HB#)  1.8 0.0 1.9 {S}
assign (resid {H} 18 and name HD2)(resid {L} 19 and name HD1#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HD2)(resid {L} 19 and name HD2#)  1.8 0.0 4.7 {W}
assign (resid {H} 18 and name HD2)(resid {H} 18 and name HA)  1.8 0.0 1.7 {M}


assign (resid {H} 18 and name HD2) (resid {E} 20 and name HB#)  1.8 0.0  4.7 {vw}
assign (resid {H} 18 and name HD2) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}

assign (resid {E} 20 and name HB#) ((resid {H} 18 and name HB1) or 
       (resid {H} 18 and name HB2))  1.8 0.0 5.2 {vvw}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {E} 20 and name HB#)  1.8 0.0  5.2 {vvW}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {E} 22 and name HB#)  1.8 0.0 4.7 {vW}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2)) ((resid {E} 20 and name HG#) or 
        (resid {E} 22 and name HG#)) 1.8 0.0  4.2 {W}

!******
! R25 and E22
!*******

assign (resid {E} 22 and name HG#)(resid {R} 25 and name HD1)  1.8 0.0 2.7 {m}
assign (resid {E} 22 and name HG#)(resid {R} 25 and name HD2)  1.8 0.0 2.7 {m}
assign (resid {E} 20 and name HG#)((resid {R} 25 and name HD1) 
    or (resid {R} 25 and name HD2))  1.8 0.0 4.2 {W}

assign (resid {R} 25 and name HD1)(resid {N} 21 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HD1)(resid {R} 25 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD1)(resid {E} 22 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD2)(resid {N} 21 and name HB#)  1.8 0.0 4.2 {W}
assign (resid {R} 25 and name HD2)(resid {R} 25 and name HA)  1.8 0.0 3.2 {W}
assign (resid {R} 25 and name HD2)(resid {E} 22 and name HA)  1.8 0.0 1.7 {M}

!*****
!*****
! Last additions by Andrei 7.5.06
!********
!*****

!*****
! Done R25, E20, E22
!********
assign (resid {L} 26 and name HD1#) ((resid {R} 25 and name HB1) or 
       (resid {R} 25 and name HB2))  1.8 0.0 3.2 {w}
assign (resid {L} 26 and name HD2#) ((resid {R} 25 and name HB1) or 
       (resid {R} 25 and name HB2))  1.8 0.0 3.2 {w}

assign (resid {E} 22 and name HA) ((resid {R} 25 and name HG1) or 
       (resid {R} 25 and name HG2))  1.8 0.0 1.7 {m}
assign (resid {E} 22 and name HG#) ((resid {L} 19 and name HB1) or 
       (resid {L} 19 and name HB2))  1.8 0.0 4.2 {w}
assign (resid {E} 22 and name HG#) ((resid {V} 23 and name HG1#) or 
       (resid {V} 23 and name HG2#))  1.8 0.0 5.7 {w}
assign (resid {E} 22 and name HG#) ((resid {L} 19 and name HD1#) or 
       (resid {L} 19 and name HD2#))  1.8 0.0 4.2 {m}
assign (resid {E} 22 and name HB#) ((resid {L} 19 and name HB1) or 
       (resid {L} 19 and name HB2))  1.8 0.0 4.2 {wvw}
assign (resid {E} 22 and name HB#) ((resid {L} 26 and name HB1) or 
       (resid {L} 26 and name HB2))  1.8 0.0 4.2 {wvw}
assign (resid {E} 22 and name HB#) ((resid {R} 25 and name HD1) or 
       (resid {R} 25 and name HD2))  1.8 0.0 4.2 {w}
assign (resid {E} 22 and name HB#) (resid {L} 19 and name HA)  1.8 0.0 2.7 {m}


!*****
! Done N21, H18, Y17, N16
!********

assign (resid {A} 24 and name HB#) (resid {N} 21 and name HB#)  1.8 0.0 5.2 {w}
assign (resid {N} 21 and name HA) (resid {E} 20 and name HB#)  1.8 0.0 4.2 {w}
assign (resid {N} 21 and name HA) (resid {E} 20 and name HG#)  1.8 0.0 4.2 {w}

assign (resid {H} 18 and name HA) (resid {L} 19 and name HB1)  1.8 0.0 3.7 {wvw}
assign (resid {H} 18 and name HA) (resid {L} 19 and name HB2)  1.8 0.0 3.7 {wvw}

assign (resid {Y} 17 and name HA) (resid {E} 20 and name HG#)  1.8 0.0 4.2 {w}
assign ((resid {Y} 17 and name HB1) or 
        (resid {Y} 17 and name HB2))    ((resid {L} 19 and name HD1#) or
      (resid {L} 19 and name HD2#))  1.8 0.0 3.2 {m}
assign ((resid {Y} 17 and name HB1) or 
        (resid {Y} 17 and name HB2))    ((resid {L} 19 and name HB1) or
     (resid {L} 19 and name HB2))  1.8 0.0 1.7 {m}

assign (resid {N} 16 and name HA)  ((resid {L} 19 and name HD1#) or
     (resid {L} 19 and name HD2#))  1.8 0.0 4.7 {w}

!*****
! Done V23, V30
!********

assign (resid {V} 23 and name HA)  ((resid {L} 26 and name HB1) or
     (resid {L} 26 and name HB2))  1.8 0.0 3.2 {w}
assign (resid {V} 23 and name HA)  (resid {L} 26 and name HG)   1.8 0.0 3.2 {w}
assign (resid {V} 23 and name HA)  (resid {E} 22 and name HG#)  1.8 0.0 4.2 {wvw}
assign ((resid {V} 23 and name HG1#) or 
        (resid {V} 23 and name HG2#))   (resid {E} 22 and name HG#)  1.8 0.0 5.7 {w}
assign ((resid {V} 23 and name HG1#) or 
        (resid {V} 23 and name HG2#))   (resid {E} 20 and name HA)  1.8 0.0 4.7 {w}


!*****
! New NOE's Sept 22.06
!********

assign (resid {H} 18 and name HD2)  (resid {L} 19 and name HA) 1.8 0.0 3.2 {w}
assign (resid {H} 18 and name HD2)  ((resid {L} 19 and name HB1) or
     (resid {L} 19 and name HB2))  1.8 0.0 3.2 {W}

assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2))  (resid {L} 19 and name HA) 1.8 0.0  3.2 {w}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HB1)  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HD1) or
       (resid {Y} 17 and name HD2)) (resid {L} 19 and name HB2)  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  ((resid {L} 19 and name HB1) or
          (resid {L} 19 and name HB2))  1.8 0.0 3.2 {w}
assign ((resid {Y} 17 and name HE1) or
       (resid {Y} 17 and name HE2))  (resid {L} 19 and name HA) 1.8 0.0  3.2 {w}




set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASN  16          1H        ASN  16 -10.885   0.483   6.366
    2    HA   ASN  16           HA       ASN  16  -8.719   0.548   5.166
    3   1HB   ASN  16          1HB       ASN  16 -10.309  -2.005   5.196
    4   2HB   ASN  16          2HB       ASN  16  -8.724  -2.008   4.426
    5   1HD2  ASN  16          1HD2      ASN  16 -10.390  -1.565   7.535
    6   2HD2  ASN  16          2HD2      ASN  16  -8.993  -1.678   8.493
    7    H    TYR  17           H        TYR  17 -11.169  -1.108   3.074
    8    HA   TYR  17           HA       TYR  17 -11.483  -0.949   0.728
    9   1HB   TYR  17          1HB       TYR  17 -11.909   1.356   1.197
   10   2HB   TYR  17          2HB       TYR  17 -10.241   1.678   1.605
   11    HD1  TYR  17           HD1      TYR  17  -9.381   3.256   0.193
   12    HD2  TYR  17           HD2      TYR  17 -11.865   0.177  -1.464
   13    HE1  TYR  17           HE1      TYR  17  -8.976   4.165  -2.052
   14    HE2  TYR  17           HE2      TYR  17 -11.457   1.085  -3.720
   15    HH   TYR  17           HH       TYR  17 -10.695   3.901  -4.440
   16    H    HIS  18           H        HIS  18 -10.080  -0.809  -1.404
   17    HA   HIS  18           HA       HIS  18  -7.811  -2.445  -1.259
   18   1HB   HIS  18          1HB       HIS  18  -7.703  -2.061  -3.517
   19   2HB   HIS  18          2HB       HIS  18  -9.275  -1.322  -3.233
   20    HD2  HIS  18           HD2      HIS  18  -5.719   0.317  -2.554
   21    HE1  HIS  18           HE1      HIS  18  -8.004   2.937  -4.937
   22    HE2  HIS  18           HE2      HIS  18  -5.801   2.598  -3.792
   23    H    LEU  19           H        LEU  19  -8.188   0.930  -0.584
   24    HA   LEU  19           HA       LEU  19  -5.670   2.082  -0.646
   25   1HB   LEU  19          1HB       LEU  19  -8.153   2.368   0.606
   26   2HB   LEU  19          2HB       LEU  19  -7.015   2.292   1.927
   27    HG   LEU  19           HG       LEU  19  -5.807   4.193   1.117
   28   1HD1  LEU  19          1HD1      LEU  19  -7.028   5.157  -1.138
   29   2HD1  LEU  19          2HD1      LEU  19  -7.123   3.418  -1.413
   30   3HD1  LEU  19          3HD1      LEU  19  -5.557   4.184  -1.151
   31   1HD2  LEU  19          1HD2      LEU  19  -8.575   5.054   0.401
   32   2HD2  LEU  19          2HD2      LEU  19  -7.422   5.796   1.510
   33   3HD2  LEU  19          3HD2      LEU  19  -8.329   4.367   2.006
   34    H    GLU  20           H        GLU  20  -7.060  -0.166   1.657
   35    HA   GLU  20           HA       GLU  20  -4.940  -0.448   3.522
   36   1HB   GLU  20          1HB       GLU  20  -6.481  -1.929   4.376
   37   2HB   GLU  20          2HB       GLU  20  -7.522  -1.233   3.151
   38   1HG   GLU  20          1HG       GLU  20  -7.792  -3.559   2.910
   39   2HG   GLU  20          2HG       GLU  20  -6.701  -3.111   1.611
   40    H    ASN  21           H        ASN  21  -5.756  -2.197   0.543
   41    HA   ASN  21           HA       ASN  21  -3.365  -3.905   0.607
   42   1HB   ASN  21          1HB       ASN  21  -5.730  -4.048  -0.647
   43   2HB   ASN  21          2HB       ASN  21  -4.837  -3.203  -1.913
   44   1HD2  ASN  21          1HD2      ASN  21  -5.070  -6.255  -0.128
   45   2HD2  ASN  21          2HD2      ASN  21  -4.000  -7.120  -1.122
   46    H    GLU  22           H        GLU  22  -4.295  -0.800  -0.740
   47    HA   GLU  22           HA       GLU  22  -2.116  -0.237  -2.483
   48   1HB   GLU  22          1HB       GLU  22  -4.472   0.925  -1.641
   49   2HB   GLU  22          2HB       GLU  22  -3.284   1.958  -0.862
   50   1HG   GLU  22          1HG       GLU  22  -4.120   2.553  -3.250
   51   2HG   GLU  22          2HG       GLU  22  -2.409   2.696  -2.882
   52    H    VAL  23           H        VAL  23  -2.621   0.446   0.975
   53    HA   VAL  23           HA       VAL  23  -0.226   1.841   1.533
   54    HB   VAL  23           HB       VAL  23  -1.949  -0.093   3.110
   55   1HG1  VAL  23          1HG1      VAL  23  -0.744   0.984   5.128
   56   2HG1  VAL  23          2HG1      VAL  23   0.517   1.420   3.976
   57   3HG1  VAL  23          3HG1      VAL  23   0.119  -0.277   4.248
   58   1HG2  VAL  23          1HG2      VAL  23  -3.056   1.784   3.864
   59   2HG2  VAL  23          2HG2      VAL  23  -2.523   2.401   2.301
   60   3HG2  VAL  23          3HG2      VAL  23  -1.620   2.803   3.761
   61    H    ALA  24           H        ALA  24  -0.851  -1.675   1.463
   62    HA   ALA  24           HA       ALA  24   1.867  -2.460   2.097
   63   1HB   ALA  24          1HB       ALA  24  -0.367  -3.854   0.576
   64   2HB   ALA  24          2HB       ALA  24  -0.102  -3.934   2.318
   65   3HB   ALA  24          3HB       ALA  24   1.070  -4.653   1.214
   66    H    ARG  25           H        ARG  25   0.087  -1.930  -0.933
   67    HA   ARG  25           HA       ARG  25   2.092  -2.691  -2.824
   68   1HB   ARG  25          1HB       ARG  25  -0.148  -0.638  -2.864
   69   2HB   ARG  25          2HB       ARG  25   0.746  -1.124  -4.299
   70   1HG   ARG  25          1HG       ARG  25  -0.112  -3.322  -4.235
   71   2HG   ARG  25          2HG       ARG  25  -0.618  -3.169  -2.553
   72   1HD   ARG  25          1HD       ARG  25  -2.496  -1.863  -3.101
   73   2HD   ARG  25          2HD       ARG  25  -1.809  -1.364  -4.658
   74    HE   ARG  25           HE       ARG  25  -2.418  -4.249  -4.229
   75   1HH1  ARG  25          1HH1      ARG  25  -4.875  -2.562  -4.742
   76   2HH1  ARG  25          2HH1      ARG  25  -5.004  -2.646  -6.467
   77   1HH2  ARG  25          1HH2      ARG  25  -1.754  -3.790  -6.923
   78   2HH2  ARG  25          2HH2      ARG  25  -3.233  -3.343  -7.705
   79    H    LEU  26           H        LEU  26   1.290   0.451  -1.389
   80    HA   LEU  26           HA       LEU  26   3.400   1.901  -2.763
   81   1HB   LEU  26          1HB       LEU  26   1.513   2.509  -0.462
   82   2HB   LEU  26          2HB       LEU  26   2.522   3.721  -1.255
   83    HG   LEU  26           HG       LEU  26   0.684   1.954  -2.862
   84   1HD1  LEU  26          1HD1      LEU  26  -0.751   2.989  -1.197
   85   2HD1  LEU  26          2HD1      LEU  26  -0.988   3.803  -2.743
   86   3HD1  LEU  26          3HD1      LEU  26  -0.009   4.562  -1.487
   87   1HD2  LEU  26          1HD2      LEU  26   2.483   3.349  -3.944
   88   2HD2  LEU  26          2HD2      LEU  26   1.673   4.783  -3.313
   89   3HD2  LEU  26          3HD2      LEU  26   0.850   3.746  -4.478
   90    H    LYS  27           H        LYS  27   3.012   0.535   0.519
   91    HA   LYS  27           HA       LYS  27   5.479   1.680   1.552
   92   1HB   LYS  27          1HB       LYS  27   3.383   0.819   2.782
   93   2HB   LYS  27          2HB       LYS  27   4.048  -0.796   2.536
   94   1HG   LYS  27          1HG       LYS  27   6.230   0.582   3.500
   95   2HG   LYS  27          2HG       LYS  27   4.902   1.323   4.393
   96   1HD   LYS  27          1HD       LYS  27   5.304  -0.475   5.778
   97   2HD   LYS  27          2HD       LYS  27   4.164  -1.235   4.666
   98   1HE   LYS  27          1HE       LYS  27   6.140  -2.005   3.284
   99   2HE   LYS  27          2HE       LYS  27   7.195  -1.417   4.584
  100   1HZ   LYS  27          1HZ       LYS  27   4.999  -3.404   4.860
  101   2HZ   LYS  27          2HZ       LYS  27   5.903  -2.773   6.155
  102   3HZ   LYS  27          3HZ       LYS  27   6.661  -3.726   4.969
  103    H    LYS  28           H        LYS  28   4.925  -0.806  -0.704
  104    HA   LYS  28           HA       LYS  28   7.240  -2.472   0.072
  105   1HB   LYS  28          1HB       LYS  28   4.831  -2.750  -1.421
  106   2HB   LYS  28          2HB       LYS  28   6.161  -3.007  -2.548
  107   1HG   LYS  28          1HG       LYS  28   5.824  -5.152  -1.661
  108   2HG   LYS  28          2HG       LYS  28   7.143  -4.529  -0.669
  109   1HD   LYS  28          1HD       LYS  28   5.222  -3.665   0.888
  110   2HD   LYS  28          2HD       LYS  28   4.239  -4.862   0.044
  111   1HE   LYS  28          1HE       LYS  28   6.910  -5.757   1.058
  112   2HE   LYS  28          2HE       LYS  28   5.611  -5.523   2.243
  113   1HZ   LYS  28          1HZ       LYS  28   4.159  -6.901   0.919
  114   2HZ   LYS  28          2HZ       LYS  28   5.579  -7.766   1.269
  115   3HZ   LYS  28          3HZ       LYS  28   5.353  -7.090  -0.273
  116    H    LEU  29           H        LEU  29   6.331  -0.058  -2.353
  117    HA   LEU  29           HA       LEU  29   8.934  -0.269  -3.730
  118   1HB   LEU  29          1HB       LEU  29   7.491   0.294  -5.389
  119   2HB   LEU  29          2HB       LEU  29   6.234   0.702  -4.228
  120    HG   LEU  29           HG       LEU  29   7.556   2.904  -3.878
  121   1HD1  LEU  29          1HD1      LEU  29   9.519   1.897  -5.256
  122   2HD1  LEU  29          2HD1      LEU  29   9.072   3.576  -5.557
  123   3HD1  LEU  29          3HD1      LEU  29   8.544   2.310  -6.666
  124   1HD2  LEU  29          1HD2      LEU  29   5.371   2.763  -5.011
  125   2HD2  LEU  29          2HD2      LEU  29   6.177   2.333  -6.520
  126   3HD2  LEU  29          3HD2      LEU  29   6.417   3.932  -5.817
  127    H    VAL  30           H        VAL  30   7.220   1.888  -1.491
  128    HA   VAL  30           HA       VAL  30   9.782   3.384  -1.094
  129    HB   VAL  30           HB       VAL  30   8.083   5.353  -0.680
  130   1HG1  VAL  30          1HG1      VAL  30   9.724   5.536  -2.393
  131   2HG1  VAL  30          2HG1      VAL  30   8.180   5.853  -3.185
  132   3HG1  VAL  30          3HG1      VAL  30   8.955   4.279  -3.361
  133   1HG2  VAL  30          1HG2      VAL  30   6.025   4.072  -0.912
  134   2HG2  VAL  30          2HG2      VAL  30   6.511   3.528  -2.517
  135   3HG2  VAL  30          3HG2      VAL  30   6.140   5.228  -2.238
  136    H    GLY  31           H        GLY  31  10.318   3.626   1.049
  137   1HA   GLY  31          1HA       GLY  31   9.948   3.854   3.394
  138   2HA   GLY  31          2HA       GLY  31   8.241   3.492   3.137
  139    H    GLU  32           H        GLU  32  11.389   1.835   2.666
  140    HA   GLU  32           HA       GLU  32  10.106  -0.742   3.431
  141   1HB   GLU  32          1HB       GLU  32  12.548   0.180   1.965
  142   2HB   GLU  32          2HB       GLU  32  12.604  -1.406   2.732
  143   1HG   GLU  32          1HG       GLU  32  11.748  -1.947   0.632
  144   2HG   GLU  32          2HG       GLU  32  10.267  -1.737   1.566
  Start of MODEL    2
    1   1H    ASN  16          1H        ASN  16 -11.350   0.851   5.755
    2    HA   ASN  16           HA       ASN  16  -9.068   0.521   5.162
    3   1HB   ASN  16          1HB       ASN  16 -10.256  -2.226   5.237
    4   2HB   ASN  16          2HB       ASN  16  -8.709  -2.039   4.414
    5   1HD2  ASN  16          1HD2      ASN  16  -7.141  -0.466   5.849
    6   2HD2  ASN  16          2HD2      ASN  16  -7.061  -0.900   7.488
    7    H    TYR  17           H        TYR  17 -11.288  -1.350   3.001
    8    HA   TYR  17           HA       TYR  17 -11.532  -1.234   0.644
    9   1HB   TYR  17          1HB       TYR  17 -12.085   1.052   1.071
   10   2HB   TYR  17          2HB       TYR  17 -10.448   1.459   1.528
   11    HD1  TYR  17           HD1      TYR  17 -11.914  -0.140  -1.572
   12    HD2  TYR  17           HD2      TYR  17  -9.603   3.053   0.120
   13    HE1  TYR  17           HE1      TYR  17 -11.485   0.767  -3.824
   14    HE2  TYR  17           HE2      TYR  17  -9.158   3.945  -2.124
   15    HH   TYR  17           HH       TYR  17 -10.839   3.562  -4.568
   16    H    HIS  18           H        HIS  18 -10.084  -1.047  -1.445
   17    HA   HIS  18           HA       HIS  18  -7.734  -2.555  -1.214
   18   1HB   HIS  18          1HB       HIS  18  -7.589  -2.210  -3.475
   19   2HB   HIS  18          2HB       HIS  18  -9.204  -1.546  -3.248
   20    HD2  HIS  18           HD2      HIS  18  -5.747   0.289  -2.516
   21    HE1  HIS  18           HE1      HIS  18  -8.109   2.740  -5.000
   22    HE2  HIS  18           HE2      HIS  18  -5.922   2.540  -3.795
   23    H    LEU  19           H        LEU  19  -8.314   0.796  -0.566
   24    HA   LEU  19           HA       LEU  19  -5.871   2.095  -0.610
   25   1HB   LEU  19          1HB       LEU  19  -8.374   2.233   0.641
   26   2HB   LEU  19          2HB       LEU  19  -7.233   2.220   1.962
   27    HG   LEU  19           HG       LEU  19  -6.181   4.212   1.227
   28   1HD1  LEU  19          1HD1      LEU  19  -5.750   4.084  -1.031
   29   2HD1  LEU  19          2HD1      LEU  19  -7.174   5.122  -1.106
   30   3HD1  LEU  19          3HD1      LEU  19  -7.330   3.390  -1.397
   31   1HD2  LEU  19          1HD2      LEU  19  -7.926   5.692   1.485
   32   2HD2  LEU  19          2HD2      LEU  19  -8.788   4.206   1.888
   33   3HD2  LEU  19          3HD2      LEU  19  -8.919   4.890   0.267
   34    H    GLU  20           H        GLU  20  -7.132  -0.207   1.714
   35    HA   GLU  20           HA       GLU  20  -4.959  -0.384   3.534
   36   1HB   GLU  20          1HB       GLU  20  -6.502  -1.796   4.451
   37   2HB   GLU  20          2HB       GLU  20  -7.526  -1.376   3.093
   38   1HG   GLU  20          1HG       GLU  20  -7.517  -3.737   3.155
   39   2HG   GLU  20          2HG       GLU  20  -6.428  -3.314   1.844
   40    H    ASN  21           H        ASN  21  -5.776  -2.210   0.600
   41    HA   ASN  21           HA       ASN  21  -3.339  -3.836   0.627
   42   1HB   ASN  21          1HB       ASN  21  -5.678  -4.100  -0.585
   43   2HB   ASN  21          2HB       ASN  21  -4.911  -3.133  -1.845
   44   1HD2  ASN  21          1HD2      ASN  21  -4.807  -6.261  -0.178
   45   2HD2  ASN  21          2HD2      ASN  21  -3.731  -7.001  -1.263
   46    H    GLU  22           H        GLU  22  -4.334  -0.760  -0.770
   47    HA   GLU  22           HA       GLU  22  -2.164  -0.182  -2.521
   48   1HB   GLU  22          1HB       GLU  22  -4.482   1.062  -1.377
   49   2HB   GLU  22          2HB       GLU  22  -3.128   2.148  -1.098
   50   1HG   GLU  22          1HG       GLU  22  -3.987   1.010  -3.749
   51   2HG   GLU  22          2HG       GLU  22  -4.220   2.663  -3.190
   52    H    VAL  23           H        VAL  23  -2.744   0.687   0.871
   53    HA   VAL  23           HA       VAL  23  -0.388   2.105   1.406
   54    HB   VAL  23           HB       VAL  23  -1.963   0.175   3.149
   55   1HG1  VAL  23          1HG1      VAL  23  -1.048   1.654   5.008
   56   2HG1  VAL  23          2HG1      VAL  23   0.091   2.293   3.825
   57   3HG1  VAL  23          3HG1      VAL  23   0.128   0.582   4.250
   58   1HG2  VAL  23          1HG2      VAL  23  -2.312   3.025   3.628
   59   2HG2  VAL  23          2HG2      VAL  23  -3.530   1.803   3.269
   60   3HG2  VAL  23          3HG2      VAL  23  -2.686   2.618   1.954
   61    H    ALA  24           H        ALA  24  -0.920  -1.422   1.448
   62    HA   ALA  24           HA       ALA  24   1.784  -2.124   2.249
   63   1HB   ALA  24          1HB       ALA  24   1.064  -4.362   1.626
   64   2HB   ALA  24          2HB       ALA  24  -0.230  -3.712   0.620
   65   3HB   ALA  24          3HB       ALA  24  -0.311  -3.551   2.374
   66    H    ARG  25           H        ARG  25   0.105  -1.723  -0.850
   67    HA   ARG  25           HA       ARG  25   2.168  -2.534  -2.659
   68   1HB   ARG  25          1HB       ARG  25  -0.113  -0.531  -2.766
   69   2HB   ARG  25          2HB       ARG  25   0.866  -0.912  -4.178
   70   1HG   ARG  25          1HG       ARG  25   0.198  -3.234  -4.096
   71   2HG   ARG  25          2HG       ARG  25  -0.615  -2.993  -2.551
   72   1HD   ARG  25          1HD       ARG  25  -2.356  -1.717  -3.530
   73   2HD   ARG  25          2HD       ARG  25  -1.424  -1.430  -5.012
   74    HE   ARG  25           HE       ARG  25  -2.539  -4.095  -4.221
   75   1HH1  ARG  25          1HH1      ARG  25  -3.928  -2.778  -6.430
   76   2HH1  ARG  25          2HH1      ARG  25  -3.103  -3.363  -7.836
   77   1HH2  ARG  25          1HH2      ARG  25  -0.318  -4.461  -6.073
   78   2HH2  ARG  25          2HH2      ARG  25  -1.055  -4.319  -7.633
   79    H    LEU  26           H        LEU  26   1.335   0.603  -1.257
   80    HA   LEU  26           HA       LEU  26   3.429   2.119  -2.556
   81   1HB   LEU  26          1HB       LEU  26   1.656   2.620  -0.138
   82   2HB   LEU  26          2HB       LEU  26   2.569   3.864  -0.993
   83    HG   LEU  26           HG       LEU  26   0.690   2.086  -2.519
   84   1HD1  LEU  26          1HD1      LEU  26  -0.635   4.516  -1.905
   85   2HD1  LEU  26          2HD1      LEU  26  -0.073   3.840  -0.377
   86   3HD1  LEU  26          3HD1      LEU  26  -1.105   2.882  -1.438
   87   1HD2  LEU  26          1HD2      LEU  26   2.228   3.603  -3.722
   88   2HD2  LEU  26          2HD2      LEU  26   1.572   4.973  -2.827
   89   3HD2  LEU  26          3HD2      LEU  26   0.547   4.084  -3.954
   90    H    LYS  27           H        LYS  27   3.144   0.446   0.566
   91    HA   LYS  27           HA       LYS  27   5.580   1.590   1.699
   92   1HB   LYS  27          1HB       LYS  27   3.498   0.582   2.851
   93   2HB   LYS  27          2HB       LYS  27   4.208  -0.991   2.482
   94   1HG   LYS  27          1HG       LYS  27   6.066  -0.620   3.869
   95   2HG   LYS  27          2HG       LYS  27   5.849   1.131   3.852
   96   1HD   LYS  27          1HD       LYS  27   3.892   0.977   5.253
   97   2HD   LYS  27          2HD       LYS  27   3.870  -0.782   5.119
   98   1HE   LYS  27          1HE       LYS  27   5.942  -0.972   6.372
   99   2HE   LYS  27          2HE       LYS  27   6.153   0.790   6.368
  100   1HZ   LYS  27          1HZ       LYS  27   4.061   1.022   7.547
  101   2HZ   LYS  27          2HZ       LYS  27   5.115   0.023   8.430
  102   3HZ   LYS  27          3HZ       LYS  27   3.837  -0.660   7.544
  103    H    LYS  28           H        LYS  28   4.996  -0.827  -0.672
  104    HA   LYS  28           HA       LYS  28   7.421  -2.406  -0.070
  105   1HB   LYS  28          1HB       LYS  28   5.115  -2.497  -1.995
  106   2HB   LYS  28          2HB       LYS  28   6.565  -3.436  -2.351
  107   1HG   LYS  28          1HG       LYS  28   6.357  -4.721  -0.367
  108   2HG   LYS  28          2HG       LYS  28   5.207  -3.588   0.343
  109   1HD   LYS  28          1HD       LYS  28   3.527  -4.824  -0.500
  110   2HD   LYS  28          2HD       LYS  28   4.083  -4.414  -2.122
  111   1HE   LYS  28          1HE       LYS  28   5.520  -6.602  -0.650
  112   2HE   LYS  28          2HE       LYS  28   3.939  -6.959  -1.372
  113   1HZ   LYS  28          1HZ       LYS  28   4.722  -6.007  -3.461
  114   2HZ   LYS  28          2HZ       LYS  28   5.710  -7.304  -2.984
  115   3HZ   LYS  28          3HZ       LYS  28   6.245  -5.705  -2.775
  116    H    LEU  29           H        LEU  29   6.202  -0.242  -2.635
  117    HA   LEU  29           HA       LEU  29   8.634  -0.273  -4.199
  118   1HB   LEU  29          1HB       LEU  29   7.523   1.451  -5.461
  119   2HB   LEU  29          2HB       LEU  29   6.270   0.338  -4.921
  120    HG   LEU  29           HG       LEU  29   6.235   2.039  -2.835
  121   1HD1  LEU  29          1HD1      LEU  29   6.310   4.358  -4.162
  122   2HD1  LEU  29          2HD1      LEU  29   7.508   3.489  -5.120
  123   3HD1  LEU  29          3HD1      LEU  29   7.749   3.699  -3.386
  124   1HD2  LEU  29          1HD2      LEU  29   4.882   2.509  -5.513
  125   2HD2  LEU  29          2HD2      LEU  29   4.336   3.158  -3.967
  126   3HD2  LEU  29          3HD2      LEU  29   4.312   1.418  -4.249
  127    H    VAL  30           H        VAL  30   7.638   1.476  -1.332
  128    HA   VAL  30           HA       VAL  30   9.515   3.686  -1.595
  129    HB   VAL  30           HB       VAL  30   7.847   2.463   0.610
  130   1HG1  VAL  30          1HG1      VAL  30   9.749   3.282   1.812
  131   2HG1  VAL  30          2HG1      VAL  30   8.519   4.539   1.942
  132   3HG1  VAL  30          3HG1      VAL  30   9.852   4.725   0.802
  133   1HG2  VAL  30          1HG2      VAL  30   6.497   4.394   0.335
  134   2HG2  VAL  30          2HG2      VAL  30   6.931   3.932  -1.311
  135   3HG2  VAL  30          3HG2      VAL  30   7.771   5.265  -0.519
  136    H    GLY  31           H        GLY  31   9.561   0.538   0.072
  137   1HA   GLY  31          1HA       GLY  31  12.311   0.997   1.040
  138   2HA   GLY  31          2HA       GLY  31  11.322  -0.428   1.365
  139    H    GLU  32           H        GLU  32  13.182   1.191  -1.202
  140    HA   GLU  32           HA       GLU  32  13.335  -1.391  -2.699
  141   1HB   GLU  32          1HB       GLU  32  12.932   1.292  -3.405
  142   2HB   GLU  32          2HB       GLU  32  14.589   0.953  -3.904
  143   1HG   GLU  32          1HG       GLU  32  13.445   0.221  -5.783
  144   2HG   GLU  32          2HG       GLU  32  13.495  -1.274  -4.849
  Start of MODEL    3
    1   1H    ASN  16          1H        ASN  16 -11.713  -0.277   4.961
    2    HA   ASN  16           HA       ASN  16  -8.785   0.388   5.122
    3   1HB   ASN  16          1HB       ASN  16 -10.335  -2.175   5.062
    4   2HB   ASN  16          2HB       ASN  16  -8.782  -2.148   4.230
    5   1HD2  ASN  16          1HD2      ASN  16 -10.326  -1.882   7.411
    6   2HD2  ASN  16          2HD2      ASN  16  -8.891  -1.997   8.310
    7    H    TYR  17           H        TYR  17 -11.171  -1.174   2.889
    8    HA   TYR  17           HA       TYR  17 -11.425  -0.905   0.544
    9   1HB   TYR  17          1HB       TYR  17 -11.854   1.378   1.113
   10   2HB   TYR  17          2HB       TYR  17 -10.194   1.671   1.575
   11    HD1  TYR  17           HD1      TYR  17  -9.282   3.303   0.258
   12    HD2  TYR  17           HD2      TYR  17 -11.759   0.332  -1.598
   13    HE1  TYR  17           HE1      TYR  17  -8.817   4.309  -1.934
   14    HE2  TYR  17           HE2      TYR  17 -11.289   1.338  -3.799
   15    HH   TYR  17           HH       TYR  17 -10.499   4.157  -4.380
   16    H    HIS  18           H        HIS  18  -9.968  -0.664  -1.544
   17    HA   HIS  18           HA       HIS  18  -7.709  -2.314  -1.416
   18   1HB   HIS  18          1HB       HIS  18  -7.540  -1.832  -3.651
   19   2HB   HIS  18          2HB       HIS  18  -9.117  -1.099  -3.377
   20    HD2  HIS  18           HD2      HIS  18  -5.572   0.491  -2.534
   21    HE1  HIS  18           HE1      HIS  18  -7.789   3.230  -4.847
   22    HE2  HIS  18           HE2      HIS  18  -5.613   2.826  -3.668
   23    H    LEU  19           H        LEU  19  -8.096   1.020  -0.571
   24    HA   LEU  19           HA       LEU  19  -5.572   2.164  -0.528
   25   1HB   LEU  19          1HB       LEU  19  -8.078   2.399   0.690
   26   2HB   LEU  19          2HB       LEU  19  -6.964   2.252   2.025
   27    HG   LEU  19           HG       LEU  19  -5.747   4.191   1.352
   28   1HD1  LEU  19          1HD1      LEU  19  -7.005   3.563  -1.262
   29   2HD1  LEU  19          2HD1      LEU  19  -5.410   4.229  -0.913
   30   3HD1  LEU  19          3HD1      LEU  19  -6.827   5.278  -0.895
   31   1HD2  LEU  19          1HD2      LEU  19  -8.271   4.351   2.176
   32   2HD2  LEU  19          2HD2      LEU  19  -8.507   5.049   0.574
   33   3HD2  LEU  19          3HD2      LEU  19  -7.381   5.799   1.705
   34    H    GLU  20           H        GLU  20  -7.017  -0.192   1.630
   35    HA   GLU  20           HA       GLU  20  -4.932  -0.593   3.512
   36   1HB   GLU  20          1HB       GLU  20  -6.512  -2.080   4.260
   37   2HB   GLU  20          2HB       GLU  20  -7.514  -1.359   3.018
   38   1HG   GLU  20          1HG       GLU  20  -7.766  -3.656   2.656
   39   2HG   GLU  20          2HG       GLU  20  -6.562  -3.195   1.466
   40    H    ASN  21           H        ASN  21  -5.700  -2.151   0.418
   41    HA   ASN  21           HA       ASN  21  -3.325  -3.883   0.419
   42   1HB   ASN  21          1HB       ASN  21  -5.394  -2.979  -1.599
   43   2HB   ASN  21          2HB       ASN  21  -4.025  -3.975  -2.088
   44   1HD2  ASN  21          1HD2      ASN  21  -7.129  -4.025  -0.504
   45   2HD2  ASN  21          2HD2      ASN  21  -7.123  -5.673  -0.101
   46    H    GLU  22           H        GLU  22  -4.202  -0.695  -0.777
   47    HA   GLU  22           HA       GLU  22  -1.976  -0.042  -2.424
   48   1HB   GLU  22          1HB       GLU  22  -4.340   1.088  -1.569
   49   2HB   GLU  22          2HB       GLU  22  -3.167   2.055  -0.690
   50   1HG   GLU  22          1HG       GLU  22  -3.950   2.790  -3.071
   51   2HG   GLU  22          2HG       GLU  22  -2.260   2.948  -2.618
   52    H    VAL  23           H        VAL  23  -2.553   0.412   1.060
   53    HA   VAL  23           HA       VAL  23  -0.158   1.752   1.762
   54    HB   VAL  23           HB       VAL  23  -1.864  -0.304   3.210
   55   1HG1  VAL  23          1HG1      VAL  23   0.415   1.416   4.220
   56   2HG1  VAL  23          2HG1      VAL  23   0.256  -0.337   4.331
   57   3HG1  VAL  23          3HG1      VAL  23  -0.793   0.706   5.289
   58   1HG2  VAL  23          1HG2      VAL  23  -2.364   2.341   2.472
   59   2HG2  VAL  23          2HG2      VAL  23  -1.862   2.464   4.158
   60   3HG2  VAL  23          3HG2      VAL  23  -3.224   1.434   3.716
   61    H    ALA  24           H        ALA  24  -0.827  -1.743   1.457
   62    HA   ALA  24           HA       ALA  24   1.860  -2.616   2.106
   63   1HB   ALA  24          1HB       ALA  24  -0.229  -3.958   0.360
   64   2HB   ALA  24          2HB       ALA  24  -0.286  -3.966   2.122
   65   3HB   ALA  24          3HB       ALA  24   1.050  -4.750   1.280
   66    H    ARG  25           H        ARG  25   0.208  -1.682  -0.882
   67    HA   ARG  25           HA       ARG  25   2.251  -2.464  -2.771
   68   1HB   ARG  25          1HB       ARG  25   0.029  -0.391  -2.768
   69   2HB   ARG  25          2HB       ARG  25   0.974  -0.786  -4.197
   70   1HG   ARG  25          1HG       ARG  25   0.124  -2.998  -4.285
   71   2HG   ARG  25          2HG       ARG  25  -0.491  -2.913  -2.634
   72   1HD   ARG  25          1HD       ARG  25  -2.331  -1.599  -3.244
   73   2HD   ARG  25          2HD       ARG  25  -1.526  -0.972  -4.693
   74    HE   ARG  25           HE       ARG  25  -1.780  -3.254  -5.690
   75   1HH1  ARG  25          1HH1      ARG  25  -4.473  -1.903  -4.706
   76   2HH1  ARG  25          2HH1      ARG  25  -5.308  -3.320  -4.164
   77   1HH2  ARG  25          1HH2      ARG  25  -2.472  -5.329  -4.202
   78   2HH2  ARG  25          2HH2      ARG  25  -4.172  -5.265  -3.877
   79    H    LEU  26           H        LEU  26   1.429   0.596  -1.187
   80    HA   LEU  26           HA       LEU  26   3.594   2.117  -2.389
   81   1HB   LEU  26          1HB       LEU  26   1.614   2.583  -0.134
   82   2HB   LEU  26          2HB       LEU  26   2.657   3.841  -0.800
   83    HG   LEU  26           HG       LEU  26   0.885   2.193  -2.596
   84   1HD1  LEU  26          1HD1      LEU  26  -0.679   3.083  -1.027
   85   2HD1  LEU  26          2HD1      LEU  26  -0.727   4.158  -2.425
   86   3HD1  LEU  26          3HD1      LEU  26   0.155   4.637  -0.974
   87   1HD2  LEU  26          1HD2      LEU  26   2.063   4.984  -2.772
   88   2HD2  LEU  26          2HD2      LEU  26   1.053   4.229  -4.005
   89   3HD2  LEU  26          3HD2      LEU  26   2.641   3.559  -3.636
   90    H    LYS  27           H        LYS  27   3.102   0.502   0.752
   91    HA   LYS  27           HA       LYS  27   5.455   1.629   2.024
   92   1HB   LYS  27          1HB       LYS  27   3.380   0.606   3.084
   93   2HB   LYS  27          2HB       LYS  27   4.017  -0.972   2.622
   94   1HG   LYS  27          1HG       LYS  27   6.034  -0.584   3.950
   95   2HG   LYS  27          2HG       LYS  27   5.482   1.042   4.351
   96   1HD   LYS  27          1HD       LYS  27   4.914  -0.323   6.231
   97   2HD   LYS  27          2HD       LYS  27   3.407  -0.047   5.357
   98   1HE   LYS  27          1HE       LYS  27   4.786  -2.398   4.322
   99   2HE   LYS  27          2HE       LYS  27   4.463  -2.549   6.059
  100   1HZ   LYS  27          1HZ       LYS  27   2.471  -1.686   4.025
  101   2HZ   LYS  27          2HZ       LYS  27   2.181  -1.900   5.685
  102   3HZ   LYS  27          3HZ       LYS  27   2.549  -3.237   4.704
  103    H    LYS  28           H        LYS  28   4.954  -0.996  -0.226
  104    HA   LYS  28           HA       LYS  28   7.542  -2.287   0.402
  105   1HB   LYS  28          1HB       LYS  28   5.333  -3.449  -0.177
  106   2HB   LYS  28          2HB       LYS  28   5.588  -2.888  -1.830
  107   1HG   LYS  28          1HG       LYS  28   7.819  -4.022  -1.818
  108   2HG   LYS  28          2HG       LYS  28   7.440  -4.673  -0.223
  109   1HD   LYS  28          1HD       LYS  28   5.186  -5.298  -1.730
  110   2HD   LYS  28          2HD       LYS  28   6.520  -5.558  -2.855
  111   1HE   LYS  28          1HE       LYS  28   6.494  -7.633  -1.797
  112   2HE   LYS  28          2HE       LYS  28   7.588  -6.767  -0.701
  113   1HZ   LYS  28          1HZ       LYS  28   5.676  -6.113   0.635
  114   2HZ   LYS  28          2HZ       LYS  28   5.773  -7.806   0.526
  115   3HZ   LYS  28          3HZ       LYS  28   4.633  -6.957  -0.402
  116    H    LEU  29           H        LEU  29   5.999  -0.556  -2.309
  117    HA   LEU  29           HA       LEU  29   8.441  -0.583  -3.919
  118   1HB   LEU  29          1HB       LEU  29   6.825  -0.353  -5.475
  119   2HB   LEU  29          2HB       LEU  29   5.625  -0.112  -4.214
  120    HG   LEU  29           HG       LEU  29   6.618   2.346  -4.184
  121   1HD1  LEU  29          1HD1      LEU  29   8.373   1.569  -5.922
  122   2HD1  LEU  29          2HD1      LEU  29   7.540   3.093  -6.232
  123   3HD1  LEU  29          3HD1      LEU  29   7.047   1.629  -7.085
  124   1HD2  LEU  29          1HD2      LEU  29   4.298   1.797  -4.728
  125   2HD2  LEU  29          2HD2      LEU  29   4.779   1.264  -6.339
  126   3HD2  LEU  29          3HD2      LEU  29   4.914   2.965  -5.896
  127    H    VAL  30           H        VAL  30   6.919   1.655  -1.648
  128    HA   VAL  30           HA       VAL  30   9.004   3.706  -2.328
  129    HB   VAL  30           HB       VAL  30   6.385   3.984  -0.815
  130   1HG1  VAL  30          1HG1      VAL  30   8.409   5.993  -1.838
  131   2HG1  VAL  30          2HG1      VAL  30   7.934   5.712  -0.163
  132   3HG1  VAL  30          3HG1      VAL  30   6.789   6.431  -1.296
  133   1HG2  VAL  30          1HG2      VAL  30   7.134   4.309  -3.711
  134   2HG2  VAL  30          2HG2      VAL  30   5.870   5.326  -3.020
  135   3HG2  VAL  30          3HG2      VAL  30   5.692   3.572  -3.014
  136    H    GLY  31           H        GLY  31   7.278   2.342   0.493
  137   1HA   GLY  31          1HA       GLY  31   9.178   1.469   2.157
  138   2HA   GLY  31          2HA       GLY  31   9.505   3.199   2.255
  139    H    GLU  32           H        GLU  32   6.772   4.090   2.075
  140    HA   GLU  32           HA       GLU  32   5.667   3.038   4.661
  141   1HB   GLU  32          1HB       GLU  32   5.021   5.366   5.137
  142   2HB   GLU  32          2HB       GLU  32   6.752   5.264   4.827
  143   1HG   GLU  32          1HG       GLU  32   6.469   6.873   3.273
  144   2HG   GLU  32          2HG       GLU  32   5.611   5.681   2.299
  Start of MODEL    4
    1   1H    ASN  16          1H        ASN  16 -11.207   0.671   5.950
    2    HA   ASN  16           HA       ASN  16  -9.012   0.370   5.114
    3   1HB   ASN  16          1HB       ASN  16 -10.406  -2.286   5.049
    4   2HB   ASN  16          2HB       ASN  16  -8.815  -2.172   4.299
    5   1HD2  ASN  16          1HD2      ASN  16 -10.479  -1.322   7.394
    6   2HD2  ASN  16          2HD2      ASN  16  -9.116  -1.600   8.368
    7    H    TYR  17           H        TYR  17 -11.271  -1.351   2.868
    8    HA   TYR  17           HA       TYR  17 -11.485  -1.149   0.514
    9   1HB   TYR  17          1HB       TYR  17 -12.021   1.123   1.027
   10   2HB   TYR  17          2HB       TYR  17 -10.384   1.499   1.507
   11    HD1  TYR  17           HD1      TYR  17  -9.529   3.144   0.165
   12    HD2  TYR  17           HD2      TYR  17 -11.835   0.018  -1.657
   13    HE1  TYR  17           HE1      TYR  17  -9.076   4.122  -2.043
   14    HE2  TYR  17           HE2      TYR  17 -11.377   0.996  -3.873
   15    HH   TYR  17           HH       TYR  17 -10.728   3.816  -4.520
   16    H    HIS  18           H        HIS  18 -10.008  -0.899  -1.550
   17    HA   HIS  18           HA       HIS  18  -7.681  -2.442  -1.355
   18   1HB   HIS  18          1HB       HIS  18  -7.505  -2.000  -3.597
   19   2HB   HIS  18          2HB       HIS  18  -9.115  -1.329  -3.356
   20    HD2  HIS  18           HD2      HIS  18  -5.653   0.431  -2.506
   21    HE1  HIS  18           HE1      HIS  18  -7.954   3.021  -4.905
   22    HE2  HIS  18           HE2      HIS  18  -5.785   2.742  -3.678
   23    H    LEU  19           H        LEU  19  -8.222   0.897  -0.611
   24    HA   LEU  19           HA       LEU  19  -5.767   2.166  -0.558
   25   1HB   LEU  19          1HB       LEU  19  -8.292   2.293   0.636
   26   2HB   LEU  19          2HB       LEU  19  -7.189   2.211   1.988
   27    HG   LEU  19           HG       LEU  19  -6.062   4.202   1.322
   28   1HD1  LEU  19          1HD1      LEU  19  -7.121   5.220  -0.959
   29   2HD1  LEU  19          2HD1      LEU  19  -7.233   3.497  -1.316
   30   3HD1  LEU  19          3HD1      LEU  19  -5.669   4.219  -0.937
   31   1HD2  LEU  19          1HD2      LEU  19  -8.833   4.927   0.461
   32   2HD2  LEU  19          2HD2      LEU  19  -7.777   5.729   1.623
   33   3HD2  LEU  19          3HD2      LEU  19  -8.618   4.245   2.073
   34    H    GLU  20           H        GLU  20  -7.098  -0.205   1.654
   35    HA   GLU  20           HA       GLU  20  -4.972  -0.449   3.525
   36   1HB   GLU  20          1HB       GLU  20  -6.540  -1.879   4.373
   37   2HB   GLU  20          2HB       GLU  20  -7.542  -1.370   3.030
   38   1HG   GLU  20          1HG       GLU  20  -7.597  -3.736   2.995
   39   2HG   GLU  20          2HG       GLU  20  -6.500  -3.282   1.701
   40    H    ASN  21           H        ASN  21  -5.742  -2.201   0.532
   41    HA   ASN  21           HA       ASN  21  -3.314  -3.850   0.597
   42   1HB   ASN  21          1HB       ASN  21  -5.381  -3.107  -1.496
   43   2HB   ASN  21          2HB       ASN  21  -4.038  -4.189  -1.851
   44   1HD2  ASN  21          1HD2      ASN  21  -7.206  -4.044  -0.502
   45   2HD2  ASN  21          2HD2      ASN  21  -7.242  -5.609   0.147
   46    H    GLU  22           H        GLU  22  -4.260  -0.740  -0.730
   47    HA   GLU  22           HA       GLU  22  -2.054  -0.166  -2.458
   48   1HB   GLU  22          1HB       GLU  22  -4.434   1.015  -1.485
   49   2HB   GLU  22          2HB       GLU  22  -3.160   2.105  -0.966
   50   1HG   GLU  22          1HG       GLU  22  -4.226   1.595  -3.640
   51   2HG   GLU  22          2HG       GLU  22  -3.403   3.012  -3.006
   52    H    VAL  23           H        VAL  23  -2.698   0.655   0.946
   53    HA   VAL  23           HA       VAL  23  -0.348   2.072   1.579
   54    HB   VAL  23           HB       VAL  23  -2.004   0.094   3.180
   55   1HG1  VAL  23          1HG1      VAL  23   0.186   1.998   4.029
   56   2HG1  VAL  23          2HG1      VAL  23   0.057   0.272   4.367
   57   3HG1  VAL  23          3HG1      VAL  23  -1.036   1.408   5.156
   58   1HG2  VAL  23          1HG2      VAL  23  -2.596   2.631   2.161
   59   2HG2  VAL  23          2HG2      VAL  23  -2.171   2.933   3.845
   60   3HG2  VAL  23          3HG2      VAL  23  -3.464   1.801   3.452
   61    H    ALA  24           H        ALA  24  -0.892  -1.457   1.529
   62    HA   ALA  24           HA       ALA  24   1.794  -2.196   2.332
   63   1HB   ALA  24          1HB       ALA  24   1.076  -4.410   1.586
   64   2HB   ALA  24          2HB       ALA  24  -0.228  -3.701   0.636
   65   3HB   ALA  24          3HB       ALA  24  -0.281  -3.629   2.397
   66    H    ARG  25           H        ARG  25   0.189  -1.624  -0.776
   67    HA   ARG  25           HA       ARG  25   2.310  -2.415  -2.545
   68   1HB   ARG  25          1HB       ARG  25  -0.004  -0.456  -2.707
   69   2HB   ARG  25          2HB       ARG  25   1.008  -0.841  -4.095
   70   1HG   ARG  25          1HG       ARG  25   0.337  -3.128  -4.077
   71   2HG   ARG  25          2HG       ARG  25  -0.378  -2.979  -2.473
   72   1HD   ARG  25          1HD       ARG  25  -2.261  -1.843  -3.270
   73   2HD   ARG  25          2HD       ARG  25  -1.422  -1.278  -4.728
   74    HE   ARG  25           HE       ARG  25  -1.660  -3.483  -5.684
   75   1HH1  ARG  25          1HH1      ARG  25  -1.356  -5.069  -3.139
   76   2HH1  ARG  25          2HH1      ARG  25  -2.954  -5.699  -2.920
   77   1HH2  ARG  25          1HH2      ARG  25  -4.424  -3.472  -5.140
   78   2HH2  ARG  25          2HH2      ARG  25  -4.694  -4.793  -4.055
   79    H    LEU  26           H        LEU  26   1.416   0.694  -1.094
   80    HA   LEU  26           HA       LEU  26   3.503   2.270  -2.320
   81   1HB   LEU  26          1HB       LEU  26   1.378   2.483  -0.258
   82   2HB   LEU  26          2HB       LEU  26   2.716   3.608  -0.063
   83    HG   LEU  26           HG       LEU  26   2.034   4.872  -1.812
   84   1HD1  LEU  26          1HD1      LEU  26   1.205   3.812  -3.988
   85   2HD1  LEU  26          2HD1      LEU  26   1.603   2.252  -3.268
   86   3HD1  LEU  26          3HD1      LEU  26   2.871   3.447  -3.541
   87   1HD2  LEU  26          1HD2      LEU  26  -0.407   4.265  -2.578
   88   2HD2  LEU  26          2HD2      LEU  26  -0.117   4.781  -0.917
   89   3HD2  LEU  26          3HD2      LEU  26  -0.307   3.067  -1.288
   90    H    LYS  27           H        LYS  27   3.278   0.421   0.711
   91    HA   LYS  27           HA       LYS  27   5.785   1.472   1.798
   92   1HB   LYS  27          1HB       LYS  27   3.538   0.108   2.721
   93   2HB   LYS  27          2HB       LYS  27   4.822  -1.095   2.827
   94   1HG   LYS  27          1HG       LYS  27   5.570   1.608   3.768
   95   2HG   LYS  27          2HG       LYS  27   4.343   0.792   4.740
   96   1HD   LYS  27          1HD       LYS  27   5.858  -1.234   4.791
   97   2HD   LYS  27          2HD       LYS  27   7.106  -0.238   4.041
   98   1HE   LYS  27          1HE       LYS  27   6.938   1.367   5.949
   99   2HE   LYS  27          2HE       LYS  27   5.764   0.285   6.719
  100   1HZ   LYS  27          1HZ       LYS  27   8.503  -0.500   5.862
  101   2HZ   LYS  27          2HZ       LYS  27   7.373  -1.500   6.643
  102   3HZ   LYS  27          3HZ       LYS  27   8.044  -0.172   7.461
  103    H    LYS  28           H        LYS  28   4.986  -0.949  -0.535
  104    HA   LYS  28           HA       LYS  28   7.416  -2.565  -0.062
  105   1HB   LYS  28          1HB       LYS  28   5.004  -2.641  -1.858
  106   2HB   LYS  28          2HB       LYS  28   6.409  -3.631  -2.253
  107   1HG   LYS  28          1HG       LYS  28   5.223  -3.668   0.520
  108   2HG   LYS  28          2HG       LYS  28   4.560  -4.682  -0.761
  109   1HD   LYS  28          1HD       LYS  28   7.517  -4.734  -0.453
  110   2HD   LYS  28          2HD       LYS  28   6.586  -5.483   0.844
  111   1HE   LYS  28          1HE       LYS  28   5.582  -7.056  -0.623
  112   2HE   LYS  28          2HE       LYS  28   6.025  -6.119  -2.064
  113   1HZ   LYS  28          1HZ       LYS  28   7.549  -7.993  -1.678
  114   2HZ   LYS  28          2HZ       LYS  28   7.962  -7.343  -0.165
  115   3HZ   LYS  28          3HZ       LYS  28   8.347  -6.500  -1.589
  116    H    LEU  29           H        LEU  29   6.103  -0.373  -2.551
  117    HA   LEU  29           HA       LEU  29   8.548  -0.480  -4.161
  118   1HB   LEU  29          1HB       LEU  29   6.930   0.082  -5.644
  119   2HB   LEU  29          2HB       LEU  29   5.799   0.425  -4.341
  120    HG   LEU  29           HG       LEU  29   7.087   2.669  -4.110
  121   1HD1  LEU  29          1HD1      LEU  29   8.878   1.744  -5.763
  122   2HD1  LEU  29          2HD1      LEU  29   8.352   3.416  -5.954
  123   3HD1  LEU  29          3HD1      LEU  29   7.710   2.164  -7.016
  124   1HD2  LEU  29          1HD2      LEU  29   4.785   2.510  -4.928
  125   2HD2  LEU  29          2HD2      LEU  29   5.364   2.053  -6.529
  126   3HD2  LEU  29          3HD2      LEU  29   5.680   3.672  -5.906
  127    H    VAL  30           H        VAL  30   7.183   1.591  -1.650
  128    HA   VAL  30           HA       VAL  30   9.507   3.471  -1.921
  129    HB   VAL  30           HB       VAL  30   6.956   3.839  -0.319
  130   1HG1  VAL  30          1HG1      VAL  30   8.406   5.528   0.339
  131   2HG1  VAL  30          2HG1      VAL  30   7.630   6.296  -1.047
  132   3HG1  VAL  30          3HG1      VAL  30   9.229   5.573  -1.221
  133   1HG2  VAL  30          1HG2      VAL  30   7.510   4.446  -3.237
  134   2HG2  VAL  30          2HG2      VAL  30   6.210   5.216  -2.328
  135   3HG2  VAL  30          3HG2      VAL  30   6.199   3.471  -2.573
  136    H    GLY  31           H        GLY  31  10.137   4.361   0.410
  137   1HA   GLY  31          1HA       GLY  31  11.153   2.171   1.949
  138   2HA   GLY  31          2HA       GLY  31  11.162   3.859   2.457
  139    H    GLU  32           H        GLU  32   9.331   4.670   3.648
  140    HA   GLU  32           HA       GLU  32   7.828   2.516   5.058
  141   1HB   GLU  32          1HB       GLU  32   7.589   4.161   6.813
  142   2HB   GLU  32          2HB       GLU  32   9.257   4.228   6.254
  143   1HG   GLU  32          1HG       GLU  32   7.544   6.014   4.711
  144   2HG   GLU  32          2HG       GLU  32   7.482   6.384   6.434
  Start of MODEL    5
    1   1H    ASN  16          1H        ASN  16 -12.117   1.329   6.111
    2    HA   ASN  16           HA       ASN  16  -9.993   0.760   5.105
    3   1HB   ASN  16          1HB       ASN  16  -9.391  -1.596   4.986
    4   2HB   ASN  16          2HB       ASN  16 -10.142  -1.308   6.555
    5   1HD2  ASN  16          1HD2      ASN  16 -10.466  -3.042   3.531
    6   2HD2  ASN  16          2HD2      ASN  16 -11.909  -3.844   3.919
    7    H    TYR  17           H        TYR  17  -9.467  -0.682   2.984
    8    HA   TYR  17           HA       TYR  17 -11.502  -1.114   0.998
    9   1HB   TYR  17          1HB       TYR  17 -12.063   1.177   1.179
   10   2HB   TYR  17          2HB       TYR  17 -10.431   1.641   1.604
   11    HD1  TYR  17           HD1      TYR  17  -9.516   3.118   0.124
   12    HD2  TYR  17           HD2      TYR  17 -12.026  -0.002  -1.415
   13    HE1  TYR  17           HE1      TYR  17  -9.148   3.971  -2.148
   14    HE2  TYR  17           HE2      TYR  17 -11.651   0.850  -3.699
   15    HH   TYR  17           HH       TYR  17 -10.929   3.633  -4.503
   16    H    HIS  18           H        HIS  18 -10.196  -0.935  -1.332
   17    HA   HIS  18           HA       HIS  18  -7.887  -2.511  -1.235
   18   1HB   HIS  18          1HB       HIS  18  -7.832  -2.133  -3.496
   19   2HB   HIS  18          2HB       HIS  18  -9.402  -1.399  -3.187
   20    HD2  HIS  18           HD2      HIS  18  -5.855   0.287  -2.545
   21    HE1  HIS  18           HE1      HIS  18  -8.183   2.856  -4.939
   22    HE2  HIS  18           HE2      HIS  18  -5.978   2.562  -3.784
   23    H    LEU  19           H        LEU  19  -8.325   0.856  -0.570
   24    HA   LEU  19           HA       LEU  19  -5.861   2.095  -0.657
   25   1HB   LEU  19          1HB       LEU  19  -8.330   2.262   0.653
   26   2HB   LEU  19          2HB       LEU  19  -7.162   2.219   1.949
   27    HG   LEU  19           HG       LEU  19  -6.071   4.190   1.170
   28   1HD1  LEU  19          1HD1      LEU  19  -7.348   3.395  -1.384
   29   2HD1  LEU  19          2HD1      LEU  19  -5.792   4.174  -1.099
   30   3HD1  LEU  19          3HD1      LEU  19  -7.273   5.132  -1.086
   31   1HD2  LEU  19          1HD2      LEU  19  -8.607   4.238   2.027
   32   2HD2  LEU  19          2HD2      LEU  19  -8.869   4.917   0.421
   33   3HD2  LEU  19          3HD2      LEU  19  -7.767   5.712   1.545
   34    H    GLU  20           H        GLU  20  -7.127  -0.157   1.715
   35    HA   GLU  20           HA       GLU  20  -4.931  -0.393   3.491
   36   1HB   GLU  20          1HB       GLU  20  -6.504  -1.750   4.440
   37   2HB   GLU  20          2HB       GLU  20  -7.530  -1.326   3.084
   38   1HG   GLU  20          1HG       GLU  20  -7.567  -3.690   3.182
   39   2HG   GLU  20          2HG       GLU  20  -6.485  -3.304   1.853
   40    H    ASN  21           H        ASN  21  -5.821  -2.215   0.574
   41    HA   ASN  21           HA       ASN  21  -3.423  -3.898   0.600
   42   1HB   ASN  21          1HB       ASN  21  -5.453  -4.626  -0.510
   43   2HB   ASN  21          2HB       ASN  21  -5.511  -3.153  -1.477
   44   1HD2  ASN  21          1HD2      ASN  21  -4.937  -3.636  -3.591
   45   2HD2  ASN  21          2HD2      ASN  21  -3.697  -4.699  -4.048
   46    H    GLU  22           H        GLU  22  -4.396  -0.848  -0.876
   47    HA   GLU  22           HA       GLU  22  -2.213  -0.337  -2.638
   48   1HB   GLU  22          1HB       GLU  22  -4.537   0.934  -1.561
   49   2HB   GLU  22          2HB       GLU  22  -3.196   2.021  -1.243
   50   1HG   GLU  22          1HG       GLU  22  -4.511   1.338  -3.761
   51   2HG   GLU  22          2HG       GLU  22  -3.615   2.779  -3.310
   52    H    VAL  23           H        VAL  23  -2.788   0.599   0.743
   53    HA   VAL  23           HA       VAL  23  -0.438   2.023   1.300
   54    HB   VAL  23           HB       VAL  23  -2.077   0.096   2.977
   55   1HG1  VAL  23          1HG1      VAL  23  -0.028   0.276   4.160
   56   2HG1  VAL  23          2HG1      VAL  23  -1.073   1.492   4.896
   57   3HG1  VAL  23          3HG1      VAL  23   0.161   1.976   3.733
   58   1HG2  VAL  23          1HG2      VAL  23  -3.503   1.837   3.282
   59   2HG2  VAL  23          2HG2      VAL  23  -2.711   2.566   1.886
   60   3HG2  VAL  23          3HG2      VAL  23  -2.183   2.982   3.516
   61    H    ALA  24           H        ALA  24  -0.952  -1.513   1.407
   62    HA   ALA  24           HA       ALA  24   1.753  -2.191   2.190
   63   1HB   ALA  24          1HB       ALA  24  -0.312  -3.641   2.331
   64   2HB   ALA  24          2HB       ALA  24   1.052  -4.440   1.549
   65   3HB   ALA  24          3HB       ALA  24  -0.265  -3.788   0.574
   66    H    ARG  25           H        ARG  25   0.079  -1.894  -0.929
   67    HA   ARG  25           HA       ARG  25   2.158  -2.675  -2.716
   68   1HB   ARG  25          1HB       ARG  25  -0.120  -0.672  -2.858
   69   2HB   ARG  25          2HB       ARG  25   0.855  -1.090  -4.259
   70   1HG   ARG  25          1HG       ARG  25   0.184  -3.419  -4.100
   71   2HG   ARG  25          2HG       ARG  25  -0.668  -3.105  -2.589
   72   1HD   ARG  25          1HD       ARG  25  -2.472  -2.172  -3.649
   73   2HD   ARG  25          2HD       ARG  25  -1.462  -1.391  -4.880
   74    HE   ARG  25           HE       ARG  25  -1.671  -4.348  -4.986
   75   1HH1  ARG  25          1HH1      ARG  25  -4.240  -2.874  -5.766
   76   2HH1  ARG  25          2HH1      ARG  25  -4.035  -2.740  -7.481
   77   1HH2  ARG  25          1HH2      ARG  25  -0.639  -3.472  -7.399
   78   2HH2  ARG  25          2HH2      ARG  25  -1.990  -3.079  -8.407
   79    H    LEU  26           H        LEU  26   1.348   0.445  -1.271
   80    HA   LEU  26           HA       LEU  26   3.480   1.925  -2.595
   81   1HB   LEU  26          1HB       LEU  26   1.542   2.507  -0.329
   82   2HB   LEU  26          2HB       LEU  26   2.551   3.728  -1.107
   83    HG   LEU  26           HG       LEU  26   0.758   1.951  -2.746
   84   1HD1  LEU  26          1HD1      LEU  26  -0.919   3.836  -2.628
   85   2HD1  LEU  26          2HD1      LEU  26   0.009   4.490  -1.279
   86   3HD1  LEU  26          3HD1      LEU  26  -0.755   2.906  -1.140
   87   1HD2  LEU  26          1HD2      LEU  26   2.087   4.643  -3.078
   88   2HD2  LEU  26          2HD2      LEU  26   0.778   4.118  -4.137
   89   3HD2  LEU  26          3HD2      LEU  26   2.280   3.198  -4.070
   90    H    LYS  27           H        LYS  27   3.179   0.145   0.423
   91    HA   LYS  27           HA       LYS  27   5.430   1.460   1.759
   92   1HB   LYS  27          1HB       LYS  27   3.320  -0.357   2.367
   93   2HB   LYS  27          2HB       LYS  27   4.832  -1.169   2.766
   94   1HG   LYS  27          1HG       LYS  27   4.694  -0.005   4.712
   95   2HG   LYS  27          2HG       LYS  27   5.299   1.344   3.751
   96   1HD   LYS  27          1HD       LYS  27   2.932   1.971   3.228
   97   2HD   LYS  27          2HD       LYS  27   2.392   0.696   4.321
   98   1HE   LYS  27          1HE       LYS  27   3.859   1.837   6.114
   99   2HE   LYS  27          2HE       LYS  27   3.908   3.224   5.008
  100   1HZ   LYS  27          1HZ       LYS  27   1.440   1.872   5.972
  101   2HZ   LYS  27          2HZ       LYS  27   1.495   3.194   4.907
  102   3HZ   LYS  27          3HZ       LYS  27   2.011   3.373   6.515
  103    H    LYS  28           H        LYS  28   5.128  -1.013  -0.648
  104    HA   LYS  28           HA       LYS  28   7.683  -2.332   0.012
  105   1HB   LYS  28          1HB       LYS  28   5.355  -2.716  -1.774
  106   2HB   LYS  28          2HB       LYS  28   6.895  -3.247  -2.449
  107   1HG   LYS  28          1HG       LYS  28   6.270  -5.165  -1.307
  108   2HG   LYS  28          2HG       LYS  28   7.193  -4.342  -0.050
  109   1HD   LYS  28          1HD       LYS  28   5.056  -3.331   0.782
  110   2HD   LYS  28          2HD       LYS  28   4.181  -4.312  -0.394
  111   1HE   LYS  28          1HE       LYS  28   5.207  -6.366   0.646
  112   2HE   LYS  28          2HE       LYS  28   5.882  -5.321   1.912
  113   1HZ   LYS  28          1HZ       LYS  28   3.649  -4.493   2.365
  114   2HZ   LYS  28          2HZ       LYS  28   3.716  -6.178   2.572
  115   3HZ   LYS  28          3HZ       LYS  28   3.006  -5.518   1.176
  116    H    LEU  29           H        LEU  29   6.359  -0.292  -2.604
  117    HA   LEU  29           HA       LEU  29   8.863  -0.076  -4.041
  118   1HB   LEU  29          1HB       LEU  29   7.643   1.487  -5.397
  119   2HB   LEU  29          2HB       LEU  29   6.483   0.264  -4.893
  120    HG   LEU  29           HG       LEU  29   6.172   2.004  -2.856
  121   1HD1  LEU  29          1HD1      LEU  29   7.269   3.556  -5.192
  122   2HD1  LEU  29          2HD1      LEU  29   7.625   3.741  -3.476
  123   3HD1  LEU  29          3HD1      LEU  29   6.081   4.296  -4.120
  124   1HD2  LEU  29          1HD2      LEU  29   4.388   1.145  -4.320
  125   2HD2  LEU  29          2HD2      LEU  29   4.906   2.236  -5.605
  126   3HD2  LEU  29          3HD2      LEU  29   4.226   2.889  -4.116
  127    H    VAL  30           H        VAL  30   7.532   1.571  -1.252
  128    HA   VAL  30           HA       VAL  30   9.374   3.873  -1.484
  129    HB   VAL  30           HB       VAL  30   7.256   2.942   0.465
  130   1HG1  VAL  30          1HG1      VAL  30   7.664   5.213   1.577
  131   2HG1  VAL  30          2HG1      VAL  30   9.212   5.236   0.732
  132   3HG1  VAL  30          3HG1      VAL  30   8.866   3.965   1.904
  133   1HG2  VAL  30          1HG2      VAL  30   7.540   5.395  -1.302
  134   2HG2  VAL  30          2HG2      VAL  30   6.160   5.036  -0.265
  135   3HG2  VAL  30          3HG2      VAL  30   6.520   3.998  -1.644
  136    H    GLY  31           H        GLY  31   8.882   1.128   0.755
  137   1HA   GLY  31          1HA       GLY  31  10.491  -0.107   1.964
  138   2HA   GLY  31          2HA       GLY  31  11.753   0.830   1.164
  139    H    GLU  32           H        GLU  32  12.443   2.803   2.114
  140    HA   GLU  32           HA       GLU  32  11.998   2.987   5.021
  141   1HB   GLU  32          1HB       GLU  32  13.769   4.307   2.961
  142   2HB   GLU  32          2HB       GLU  32  13.696   4.921   4.613
  143   1HG   GLU  32          1HG       GLU  32  13.988   2.228   5.047
  144   2HG   GLU  32          2HG       GLU  32  14.941   2.455   3.580
  Start of MODEL    6
    1   1H    ASN  16          1H        ASN  16 -11.878   0.892   6.494
    2    HA   ASN  16           HA       ASN  16 -10.032   0.524   5.008
    3   1HB   ASN  16          1HB       ASN  16 -11.277  -1.861   6.134
    4   2HB   ASN  16          2HB       ASN  16 -10.454  -2.241   4.621
    5   1HD2  ASN  16          1HD2      ASN  16  -9.786  -0.198   7.544
    6   2HD2  ASN  16          2HD2      ASN  16  -8.163  -0.680   7.677
    7    H    TYR  17           H        TYR  17  -9.448  -0.848   2.938
    8    HA   TYR  17           HA       TYR  17 -11.375  -1.369   0.872
    9   1HB   TYR  17          1HB       TYR  17 -12.047   0.896   1.003
   10   2HB   TYR  17          2HB       TYR  17 -10.457   1.438   1.493
   11    HD1  TYR  17           HD1      TYR  17 -11.855  -0.301  -1.571
   12    HD2  TYR  17           HD2      TYR  17  -9.538   2.933   0.032
   13    HE1  TYR  17           HE1      TYR  17 -11.436   0.552  -3.846
   14    HE2  TYR  17           HE2      TYR  17  -9.099   3.770  -2.235
   15    HH   TYR  17           HH       TYR  17 -10.791   3.333  -4.658
   16    H    HIS  18           H        HIS  18  -9.990  -1.165  -1.401
   17    HA   HIS  18           HA       HIS  18  -7.607  -2.616  -1.179
   18   1HB   HIS  18          1HB       HIS  18  -7.479  -2.291  -3.438
   19   2HB   HIS  18          2HB       HIS  18  -9.096  -1.630  -3.213
   20    HD2  HIS  18           HD2      HIS  18  -5.665   0.248  -2.471
   21    HE1  HIS  18           HE1      HIS  18  -8.023   2.642  -5.013
   22    HE2  HIS  18           HE2      HIS  18  -5.851   2.480  -3.782
   23    H    LEU  19           H        LEU  19  -8.244   0.730  -0.569
   24    HA   LEU  19           HA       LEU  19  -5.847   2.101  -0.594
   25   1HB   LEU  19          1HB       LEU  19  -8.356   2.136   0.658
   26   2HB   LEU  19          2HB       LEU  19  -7.219   2.151   1.983
   27    HG   LEU  19           HG       LEU  19  -6.262   4.198   1.296
   28   1HD1  LEU  19          1HD1      LEU  19  -5.760   4.091  -0.950
   29   2HD1  LEU  19          2HD1      LEU  19  -7.209   5.090  -1.052
   30   3HD1  LEU  19          3HD1      LEU  19  -7.308   3.358  -1.367
   31   1HD2  LEU  19          1HD2      LEU  19  -8.890   4.061   1.868
   32   2HD2  LEU  19          2HD2      LEU  19  -8.991   4.772   0.257
   33   3HD2  LEU  19          3HD2      LEU  19  -8.078   5.588   1.525
   34    H    GLU  20           H        GLU  20  -7.042  -0.253   1.707
   35    HA   GLU  20           HA       GLU  20  -4.882  -0.395   3.541
   36   1HB   GLU  20          1HB       GLU  20  -6.241  -2.091   4.378
   37   2HB   GLU  20          2HB       GLU  20  -7.393  -1.312   3.307
   38   1HG   GLU  20          1HG       GLU  20  -7.063  -2.965   1.610
   39   2HG   GLU  20          2HG       GLU  20  -5.689  -3.663   2.465
   40    H    ASN  21           H        ASN  21  -5.633  -2.245   0.600
   41    HA   ASN  21           HA       ASN  21  -3.148  -3.801   0.643
   42   1HB   ASN  21          1HB       ASN  21  -5.313  -3.171  -1.378
   43   2HB   ASN  21          2HB       ASN  21  -3.896  -4.120  -1.832
   44   1HD2  ASN  21          1HD2      ASN  21  -6.930  -4.205  -0.079
   45   2HD2  ASN  21          2HD2      ASN  21  -6.824  -5.827   0.411
   46    H    GLU  22           H        GLU  22  -4.227  -0.748  -0.735
   47    HA   GLU  22           HA       GLU  22  -2.090  -0.100  -2.502
   48   1HB   GLU  22          1HB       GLU  22  -4.434   1.055  -1.359
   49   2HB   GLU  22          2HB       GLU  22  -3.120   2.178  -1.028
   50   1HG   GLU  22          1HG       GLU  22  -3.865   1.067  -3.725
   51   2HG   GLU  22          2HG       GLU  22  -4.211   2.688  -3.135
   52    H    VAL  23           H        VAL  23  -2.643   0.700   0.910
   53    HA   VAL  23           HA       VAL  23  -0.299   2.179   1.413
   54    HB   VAL  23           HB       VAL  23  -1.827   0.231   3.179
   55   1HG1  VAL  23          1HG1      VAL  23   0.174   2.406   3.837
   56   2HG1  VAL  23          2HG1      VAL  23   0.282   0.693   4.240
   57   3HG1  VAL  23          3HG1      VAL  23  -0.923   1.710   5.029
   58   1HG2  VAL  23          1HG2      VAL  23  -2.600   2.667   1.985
   59   2HG2  VAL  23          2HG2      VAL  23  -2.239   3.066   3.664
   60   3HG2  VAL  23          3HG2      VAL  23  -3.430   1.822   3.290
   61    H    ALA  24           H        ALA  24  -0.814  -1.344   1.449
   62    HA   ALA  24           HA       ALA  24   1.895  -2.046   2.230
   63   1HB   ALA  24          1HB       ALA  24  -0.224  -3.457   2.367
   64   2HB   ALA  24          2HB       ALA  24   1.162  -4.282   1.656
   65   3HB   ALA  24          3HB       ALA  24  -0.116  -3.651   0.617
   66    H    ARG  25           H        ARG  25   0.187  -1.600  -0.847
   67    HA   ARG  25           HA       ARG  25   2.222  -2.439  -2.680
   68   1HB   ARG  25          1HB       ARG  25  -0.029  -0.403  -2.756
   69   2HB   ARG  25          2HB       ARG  25   0.940  -0.773  -4.175
   70   1HG   ARG  25          1HG       ARG  25   0.194  -3.035  -4.220
   71   2HG   ARG  25          2HG       ARG  25  -0.479  -2.921  -2.595
   72   1HD   ARG  25          1HD       ARG  25  -2.467  -2.360  -3.529
   73   2HD   ARG  25          2HD       ARG  25  -1.714  -0.861  -4.106
   74    HE   ARG  25           HE       ARG  25  -1.727  -3.422  -5.658
   75   1HH1  ARG  25          1HH1      ARG  25   0.410  -1.538  -6.486
   76   2HH1  ARG  25          2HH1      ARG  25  -0.371  -0.581  -7.700
   77   1HH2  ARG  25          1HH2      ARG  25  -3.580  -1.519  -6.751
   78   2HH2  ARG  25          2HH2      ARG  25  -2.637  -0.571  -7.851
   79    H    LEU  26           H        LEU  26   1.442   0.702  -1.256
   80    HA   LEU  26           HA       LEU  26   3.542   2.225  -2.514
   81   1HB   LEU  26          1HB       LEU  26   1.499   2.476  -0.346
   82   2HB   LEU  26          2HB       LEU  26   2.811   3.648  -0.334
   83    HG   LEU  26           HG       LEU  26   2.042   4.714  -2.201
   84   1HD1  LEU  26          1HD1      LEU  26   0.878   3.492  -4.091
   85   2HD1  LEU  26          2HD1      LEU  26   1.185   1.990  -3.222
   86   3HD1  LEU  26          3HD1      LEU  26   2.535   2.969  -3.795
   87   1HD2  LEU  26          1HD2      LEU  26   0.078   4.374  -0.616
   88   2HD2  LEU  26          2HD2      LEU  26  -0.468   3.102  -1.708
   89   3HD2  LEU  26          3HD2      LEU  26  -0.346   4.765  -2.282
   90    H    LYS  27           H        LYS  27   3.274   0.516   0.608
   91    HA   LYS  27           HA       LYS  27   5.807   1.474   1.669
   92   1HB   LYS  27          1HB       LYS  27   3.651  -0.438   2.344
   93   2HB   LYS  27          2HB       LYS  27   5.236  -0.860   2.990
   94   1HG   LYS  27          1HG       LYS  27   5.220   1.769   3.587
   95   2HG   LYS  27          2HG       LYS  27   3.485   1.460   3.633
   96   1HD   LYS  27          1HD       LYS  27   4.148   0.983   5.835
   97   2HD   LYS  27          2HD       LYS  27   4.131  -0.612   5.081
   98   1HE   LYS  27          1HE       LYS  27   6.616  -0.271   4.582
   99   2HE   LYS  27          2HE       LYS  27   6.543   1.133   5.664
  100   1HZ   LYS  27          1HZ       LYS  27   5.623  -0.279   7.393
  101   2HZ   LYS  27          2HZ       LYS  27   7.123  -0.889   6.881
  102   3HZ   LYS  27          3HZ       LYS  27   5.684  -1.628   6.365
  103    H    LYS  28           H        LYS  28   4.987  -0.911  -0.695
  104    HA   LYS  28           HA       LYS  28   7.365  -2.590  -0.268
  105   1HB   LYS  28          1HB       LYS  28   4.930  -3.115  -1.203
  106   2HB   LYS  28          2HB       LYS  28   5.656  -2.625  -2.733
  107   1HG   LYS  28          1HG       LYS  28   6.679  -4.619  -2.915
  108   2HG   LYS  28          2HG       LYS  28   7.481  -4.371  -1.365
  109   1HD   LYS  28          1HD       LYS  28   6.218  -6.345  -1.046
  110   2HD   LYS  28          2HD       LYS  28   5.237  -5.082  -0.303
  111   1HE   LYS  28          1HE       LYS  28   3.951  -4.891  -2.464
  112   2HE   LYS  28          2HE       LYS  28   4.848  -6.303  -3.058
  113   1HZ   LYS  28          1HZ       LYS  28   2.772  -6.969  -1.988
  114   2HZ   LYS  28          2HZ       LYS  28   3.249  -6.203  -0.550
  115   3HZ   LYS  28          3HZ       LYS  28   4.110  -7.550  -1.124
  116    H    LEU  29           H        LEU  29   6.195  -0.233  -2.675
  117    HA   LEU  29           HA       LEU  29   8.641  -0.311  -4.257
  118   1HB   LEU  29          1HB       LEU  29   7.506   1.284  -5.598
  119   2HB   LEU  29          2HB       LEU  29   6.214   0.293  -4.928
  120    HG   LEU  29           HG       LEU  29   6.397   2.186  -2.993
  121   1HD1  LEU  29          1HD1      LEU  29   6.520   4.383  -4.312
  122   2HD1  LEU  29          2HD1      LEU  29   7.279   3.447  -5.599
  123   3HD1  LEU  29          3HD1      LEU  29   8.054   3.566  -4.019
  124   1HD2  LEU  29          1HD2      LEU  29   4.851   2.426  -5.595
  125   2HD2  LEU  29          2HD2      LEU  29   4.442   3.233  -4.081
  126   3HD2  LEU  29          3HD2      LEU  29   4.357   1.475  -4.195
  127    H    VAL  30           H        VAL  30   7.604   1.410  -1.395
  128    HA   VAL  30           HA       VAL  30   9.802   3.414  -1.679
  129    HB   VAL  30           HB       VAL  30   7.435   3.089   0.198
  130   1HG1  VAL  30          1HG1      VAL  30   9.142   4.134   1.509
  131   2HG1  VAL  30          2HG1      VAL  30   8.110   5.443   0.930
  132   3HG1  VAL  30          3HG1      VAL  30   9.665   5.136   0.154
  133   1HG2  VAL  30          1HG2      VAL  30   6.851   5.327  -0.939
  134   2HG2  VAL  30          2HG2      VAL  30   6.688   3.872  -1.921
  135   3HG2  VAL  30          3HG2      VAL  30   8.095   4.917  -2.120
  136    H    GLY  31           H        GLY  31  11.708   3.046  -0.614
  137   1HA   GLY  31          1HA       GLY  31  11.936   2.028   2.036
  138   2HA   GLY  31          2HA       GLY  31  12.232   0.700   0.914
  139    H    GLU  32           H        GLU  32  14.000   0.956  -0.642
  140    HA   GLU  32           HA       GLU  32  16.272   2.447   0.528
  141   1HB   GLU  32          1HB       GLU  32  17.576   1.093  -1.041
  142   2HB   GLU  32          2HB       GLU  32  16.411   0.065  -0.211
  143   1HG   GLU  32          1HG       GLU  32  15.202   1.175  -2.591
  144   2HG   GLU  32          2HG       GLU  32  16.724   0.390  -3.005
  Start of MODEL    7
    1   1H    ASN  16          1H        ASN  16 -11.809  -0.487   4.978
    2    HA   ASN  16           HA       ASN  16  -8.966   0.484   5.101
    3   1HB   ASN  16          1HB       ASN  16 -10.280  -2.203   5.166
    4   2HB   ASN  16          2HB       ASN  16  -8.733  -2.086   4.327
    5   1HD2  ASN  16          1HD2      ASN  16 -10.299  -1.548   7.499
    6   2HD2  ASN  16          2HD2      ASN  16  -8.860  -1.593   8.397
    7    H    TYR  17           H        TYR  17 -11.208  -1.343   2.921
    8    HA   TYR  17           HA       TYR  17 -11.447  -1.206   0.563
    9   1HB   TYR  17          1HB       TYR  17 -12.010   1.075   1.002
   10   2HB   TYR  17          2HB       TYR  17 -10.376   1.485   1.472
   11    HD1  TYR  17           HD1      TYR  17 -11.818  -0.099  -1.649
   12    HD2  TYR  17           HD2      TYR  17  -9.532   3.093   0.079
   13    HE1  TYR  17           HE1      TYR  17 -11.378   0.824  -3.892
   14    HE2  TYR  17           HE2      TYR  17  -9.076   4.001  -2.157
   15    HH   TYR  17           HH       TYR  17 -10.757   3.594  -4.634
   16    H    HIS  18           H        HIS  18  -9.986  -0.998  -1.519
   17    HA   HIS  18           HA       HIS  18  -7.635  -2.502  -1.290
   18   1HB   HIS  18          1HB       HIS  18  -7.479  -2.133  -3.545
   19   2HB   HIS  18          2HB       HIS  18  -9.095  -1.470  -3.320
   20    HD2  HIS  18           HD2      HIS  18  -5.643   0.355  -2.544
   21    HE1  HIS  18           HE1      HIS  18  -7.985   2.835  -5.021
   22    HE2  HIS  18           HE2      HIS  18  -5.804   2.618  -3.806
   23    H    LEU  19           H        LEU  19  -8.223   0.845  -0.624
   24    HA   LEU  19           HA       LEU  19  -5.781   2.146  -0.629
   25   1HB   LEU  19          1HB       LEU  19  -8.299   2.274   0.588
   26   2HB   LEU  19          2HB       LEU  19  -7.177   2.248   1.928
   27    HG   LEU  19           HG       LEU  19  -6.108   4.244   1.216
   28   1HD1  LEU  19          1HD1      LEU  19  -5.671   4.144  -1.042
   29   2HD1  LEU  19          2HD1      LEU  19  -7.098   5.179  -1.110
   30   3HD1  LEU  19          3HD1      LEU  19  -7.248   3.450  -1.420
   31   1HD2  LEU  19          1HD2      LEU  19  -8.855   4.917   0.265
   32   2HD2  LEU  19          2HD2      LEU  19  -7.852   5.733   1.465
   33   3HD2  LEU  19          3HD2      LEU  19  -8.700   4.246   1.888
   34    H    GLU  20           H        GLU  20  -7.073  -0.171   1.661
   35    HA   GLU  20           HA       GLU  20  -4.931  -0.356   3.516
   36   1HB   GLU  20          1HB       GLU  20  -6.483  -1.780   4.402
   37   2HB   GLU  20          2HB       GLU  20  -7.491  -1.331   3.042
   38   1HG   GLU  20          1HG       GLU  20  -7.508  -3.689   3.054
   39   2HG   GLU  20          2HG       GLU  20  -6.381  -3.260   1.777
   40    H    ASN  21           H        ASN  21  -5.688  -2.159   0.551
   41    HA   ASN  21           HA       ASN  21  -3.245  -3.785   0.629
   42   1HB   ASN  21          1HB       ASN  21  -5.371  -3.102  -1.415
   43   2HB   ASN  21          2HB       ASN  21  -3.971  -4.080  -1.856
   44   1HD2  ASN  21          1HD2      ASN  21  -7.019  -4.100  -0.124
   45   2HD2  ASN  21          2HD2      ASN  21  -6.957  -5.727   0.355
   46    H    GLU  22           H        GLU  22  -4.238  -0.712  -0.766
   47    HA   GLU  22           HA       GLU  22  -2.060  -0.111  -2.501
   48   1HB   GLU  22          1HB       GLU  22  -4.407   1.087  -1.406
   49   2HB   GLU  22          2HB       GLU  22  -3.085   2.189  -1.048
   50   1HG   GLU  22          1HG       GLU  22  -3.812   1.101  -3.760
   51   2HG   GLU  22          2HG       GLU  22  -4.113   2.731  -3.171
   52    H    VAL  23           H        VAL  23  -2.659   0.711   0.900
   53    HA   VAL  23           HA       VAL  23  -0.291   2.145   1.431
   54    HB   VAL  23           HB       VAL  23  -1.919   0.268   3.181
   55   1HG1  VAL  23          1HG1      VAL  23   0.223   2.298   3.822
   56   2HG1  VAL  23          2HG1      VAL  23   0.107   0.623   4.361
   57   3HG1  VAL  23          3HG1      VAL  23  -0.997   1.836   5.010
   58   1HG2  VAL  23          1HG2      VAL  23  -2.207   3.142   3.598
   59   2HG2  VAL  23          2HG2      VAL  23  -3.452   1.930   3.295
   60   3HG2  VAL  23          3HG2      VAL  23  -2.609   2.685   1.943
   61    H    ALA  24           H        ALA  24  -0.896  -1.364   1.506
   62    HA   ALA  24           HA       ALA  24   1.769  -2.131   2.361
   63   1HB   ALA  24          1HB       ALA  24  -0.375  -3.497   2.444
   64   2HB   ALA  24          2HB       ALA  24   1.000  -4.351   1.746
   65   3HB   ALA  24          3HB       ALA  24  -0.245  -3.679   0.695
   66    H    ARG  25           H        ARG  25   0.170  -1.632  -0.762
   67    HA   ARG  25           HA       ARG  25   2.244  -2.524  -2.527
   68   1HB   ARG  25          1HB       ARG  25   0.021  -0.463  -2.677
   69   2HB   ARG  25          2HB       ARG  25   1.034  -0.833  -4.065
   70   1HG   ARG  25          1HG       ARG  25   0.301  -3.118  -4.095
   71   2HG   ARG  25          2HG       ARG  25  -0.496  -2.944  -2.532
   72   1HD   ARG  25          1HD       ARG  25  -2.301  -1.796  -3.426
   73   2HD   ARG  25          2HD       ARG  25  -1.340  -1.113  -4.753
   74    HE   ARG  25           HE       ARG  25  -2.205  -3.980  -4.631
   75   1HH1  ARG  25          1HH1      ARG  25   0.064  -3.575  -6.458
   76   2HH1  ARG  25          2HH1      ARG  25  -0.702  -3.181  -7.961
   77   1HH2  ARG  25          1HH2      ARG  25  -3.763  -2.415  -6.505
   78   2HH2  ARG  25          2HH2      ARG  25  -2.874  -2.523  -7.987
   79    H    LEU  26           H        LEU  26   1.422   0.688  -1.273
   80    HA   LEU  26           HA       LEU  26   3.608   2.155  -2.405
   81   1HB   LEU  26          1HB       LEU  26   1.503   2.439  -0.303
   82   2HB   LEU  26          2HB       LEU  26   2.842   3.578  -0.229
   83    HG   LEU  26           HG       LEU  26   2.149   4.697  -2.088
   84   1HD1  LEU  26          1HD1      LEU  26   1.048   3.508  -4.054
   85   2HD1  LEU  26          2HD1      LEU  26   1.371   1.993  -3.213
   86   3HD1  LEU  26          3HD1      LEU  26   2.709   3.025  -3.718
   87   1HD2  LEU  26          1HD2      LEU  26   0.111   4.378  -0.630
   88   2HD2  LEU  26          2HD2      LEU  26  -0.378   3.075  -1.713
   89   3HD2  LEU  26          3HD2      LEU  26  -0.246   4.726  -2.321
   90    H    LYS  27           H        LYS  27   3.277   0.296   0.601
   91    HA   LYS  27           HA       LYS  27   5.698   1.284   1.859
   92   1HB   LYS  27          1HB       LYS  27   3.680   0.171   2.932
   93   2HB   LYS  27          2HB       LYS  27   4.258  -1.355   2.263
   94   1HG   LYS  27          1HG       LYS  27   6.375   0.107   3.648
   95   2HG   LYS  27          2HG       LYS  27   5.013  -0.253   4.708
   96   1HD   LYS  27          1HD       LYS  27   5.124  -2.644   3.786
   97   2HD   LYS  27          2HD       LYS  27   6.690  -2.196   3.112
   98   1HE   LYS  27          1HE       LYS  27   7.408  -2.981   5.173
   99   2HE   LYS  27          2HE       LYS  27   7.047  -1.309   5.644
  100   1HZ   LYS  27          1HZ       LYS  27   5.912  -2.879   7.101
  101   2HZ   LYS  27          2HZ       LYS  27   5.143  -3.593   5.764
  102   3HZ   LYS  27          3HZ       LYS  27   4.789  -1.987   6.196
  103    H    LYS  28           H        LYS  28   4.971  -1.264  -0.462
  104    HA   LYS  28           HA       LYS  28   7.545  -2.627  -0.198
  105   1HB   LYS  28          1HB       LYS  28   5.108  -3.349  -1.067
  106   2HB   LYS  28          2HB       LYS  28   5.804  -2.868  -2.614
  107   1HG   LYS  28          1HG       LYS  28   7.575  -4.453  -2.424
  108   2HG   LYS  28          2HG       LYS  28   7.231  -4.743  -0.719
  109   1HD   LYS  28          1HD       LYS  28   5.108  -5.795  -1.273
  110   2HD   LYS  28          2HD       LYS  28   5.317  -5.395  -2.978
  111   1HE   LYS  28          1HE       LYS  28   6.137  -7.560  -3.033
  112   2HE   LYS  28          2HE       LYS  28   7.634  -6.736  -2.558
  113   1HZ   LYS  28          1HZ       LYS  28   7.037  -7.049  -0.237
  114   2HZ   LYS  28          2HZ       LYS  28   7.107  -8.549  -1.030
  115   3HZ   LYS  28          3HZ       LYS  28   5.603  -7.838  -0.683
  116    H    LEU  29           H        LEU  29   6.037  -0.462  -2.605
  117    HA   LEU  29           HA       LEU  29   8.518  -0.234  -4.158
  118   1HB   LEU  29          1HB       LEU  29   7.151   1.213  -5.572
  119   2HB   LEU  29          2HB       LEU  29   6.210  -0.205  -5.124
  120    HG   LEU  29           HG       LEU  29   5.539   1.461  -3.088
  121   1HD1  LEU  29          1HD1      LEU  29   6.975   3.238  -4.322
  122   2HD1  LEU  29          2HD1      LEU  29   5.363   3.711  -3.787
  123   3HD1  LEU  29          3HD1      LEU  29   5.645   3.300  -5.478
  124   1HD2  LEU  29          1HD2      LEU  29   3.466   1.290  -4.029
  125   2HD2  LEU  29          2HD2      LEU  29   4.280   0.264  -5.208
  126   3HD2  LEU  29          3HD2      LEU  29   4.003   1.968  -5.564
  127    H    VAL  30           H        VAL  30   7.311   1.255  -1.331
  128    HA   VAL  30           HA       VAL  30   7.734   3.335  -0.273
  129    HB   VAL  30           HB       VAL  30   9.541   1.798   0.312
  130   1HG1  VAL  30          1HG1      VAL  30  10.859   2.859  -2.199
  131   2HG1  VAL  30          2HG1      VAL  30  10.456   1.187  -1.816
  132   3HG1  VAL  30          3HG1      VAL  30  11.741   2.008  -0.934
  133   1HG2  VAL  30          1HG2      VAL  30  10.955   3.390   1.242
  134   2HG2  VAL  30          2HG2      VAL  30   9.560   4.387   0.831
  135   3HG2  VAL  30          3HG2      VAL  30  10.977   4.378  -0.218
  136    H    GLY  31           H        GLY  31   6.693   4.513  -2.206
  137   1HA   GLY  31          1HA       GLY  31   8.368   6.756  -2.927
  138   2HA   GLY  31          2HA       GLY  31   8.093   5.705  -4.317
  139    H    GLU  32           H        GLU  32   6.132   5.829  -5.374
  140    HA   GLU  32           HA       GLU  32   4.160   7.811  -4.307
  141   1HB   GLU  32          1HB       GLU  32   5.447   7.747  -6.666
  142   2HB   GLU  32          2HB       GLU  32   4.072   6.729  -7.092
  143   1HG   GLU  32          1HG       GLU  32   3.784   9.448  -5.786
  144   2HG   GLU  32          2HG       GLU  32   3.736   9.204  -7.531
  Start of MODEL    8
    1   1H    ASN  16          1H        ASN  16 -11.965   0.956   6.416
    2    HA   ASN  16           HA       ASN  16 -10.108   0.563   4.965
    3   1HB   ASN  16          1HB       ASN  16 -11.497  -1.950   5.776
    4   2HB   ASN  16          2HB       ASN  16 -10.288  -2.114   4.502
    5   1HD2  ASN  16          1HD2      ASN  16  -8.261  -2.592   5.354
    6   2HD2  ASN  16          2HD2      ASN  16  -7.662  -2.016   6.834
    7    H    TYR  17           H        TYR  17  -9.537  -0.784   2.863
    8    HA   TYR  17           HA       TYR  17 -11.467  -1.191   0.773
    9   1HB   TYR  17          1HB       TYR  17 -12.060   1.091   0.962
   10   2HB   TYR  17          2HB       TYR  17 -10.455   1.564   1.471
   11    HD1  TYR  17           HD1      TYR  17  -9.479   3.066   0.055
   12    HD2  TYR  17           HD2      TYR  17 -11.896  -0.046  -1.643
   13    HE1  TYR  17           HE1      TYR  17  -9.014   3.955  -2.185
   14    HE2  TYR  17           HE2      TYR  17 -11.423   0.844  -3.894
   15    HH   TYR  17           HH       TYR  17 -10.693   3.636  -4.625
   16    H    HIS  18           H        HIS  18 -10.064  -0.976  -1.486
   17    HA   HIS  18           HA       HIS  18  -7.733  -2.514  -1.292
   18   1HB   HIS  18          1HB       HIS  18  -7.585  -2.135  -3.542
   19   2HB   HIS  18          2HB       HIS  18  -9.179  -1.427  -3.306
   20    HD2  HIS  18           HD2      HIS  18  -5.689   0.314  -2.505
   21    HE1  HIS  18           HE1      HIS  18  -7.954   2.850  -4.993
   22    HE2  HIS  18           HE2      HIS  18  -5.794   2.585  -3.757
   23    H    LEU  19           H        LEU  19  -8.261   0.835  -0.595
   24    HA   LEU  19           HA       LEU  19  -5.817   2.121  -0.582
   25   1HB   LEU  19          1HB       LEU  19  -8.327   2.212   0.665
   26   2HB   LEU  19          2HB       LEU  19  -7.193   2.157   1.992
   27    HG   LEU  19           HG       LEU  19  -6.165   4.186   1.355
   28   1HD1  LEU  19          1HD1      LEU  19  -7.066   5.172  -0.970
   29   2HD1  LEU  19          2HD1      LEU  19  -7.248   3.454  -1.329
   30   3HD1  LEU  19          3HD1      LEU  19  -5.666   4.102  -0.898
   31   1HD2  LEU  19          1HD2      LEU  19  -8.868   4.885   0.326
   32   2HD2  LEU  19          2HD2      LEU  19  -7.931   5.630   1.623
   33   3HD2  LEU  19          3HD2      LEU  19  -8.802   4.124   1.916
   34    H    GLU  20           H        GLU  20  -7.102  -0.242   1.662
   35    HA   GLU  20           HA       GLU  20  -4.953  -0.508   3.494
   36   1HB   GLU  20          1HB       GLU  20  -6.372  -2.175   4.283
   37   2HB   GLU  20          2HB       GLU  20  -7.494  -1.345   3.219
   38   1HG   GLU  20          1HG       GLU  20  -7.219  -2.971   1.500
   39   2HG   GLU  20          2HG       GLU  20  -5.836  -3.703   2.313
   40    H    ASN  21           H        ASN  21  -5.758  -2.244   0.502
   41    HA   ASN  21           HA       ASN  21  -3.337  -3.893   0.499
   42   1HB   ASN  21          1HB       ASN  21  -5.344  -3.062  -1.628
   43   2HB   ASN  21          2HB       ASN  21  -4.074  -4.253  -1.902
   44   1HD2  ASN  21          1HD2      ASN  21  -4.125  -6.223  -0.418
   45   2HD2  ASN  21          2HD2      ASN  21  -5.630  -6.754   0.161
   46    H    GLU  22           H        GLU  22  -4.295  -0.768  -0.812
   47    HA   GLU  22           HA       GLU  22  -2.107  -0.155  -2.530
   48   1HB   GLU  22          1HB       GLU  22  -4.419   1.073  -1.363
   49   2HB   GLU  22          2HB       GLU  22  -3.058   2.138  -1.043
   50   1HG   GLU  22          1HG       GLU  22  -3.909   1.089  -3.732
   51   2HG   GLU  22          2HG       GLU  22  -4.131   2.725  -3.124
   52    H    VAL  23           H        VAL  23  -2.699   0.607   0.885
   53    HA   VAL  23           HA       VAL  23  -0.329   1.988   1.470
   54    HB   VAL  23           HB       VAL  23  -1.941   0.037   3.152
   55   1HG1  VAL  23          1HG1      VAL  23   0.187   0.409   4.236
   56   2HG1  VAL  23          2HG1      VAL  23  -1.019   1.390   5.069
   57   3HG1  VAL  23          3HG1      VAL  23   0.095   2.143   3.927
   58   1HG2  VAL  23          1HG2      VAL  23  -2.616   2.525   2.019
   59   2HG2  VAL  23          2HG2      VAL  23  -2.259   2.873   3.709
   60   3HG2  VAL  23          3HG2      VAL  23  -3.489   1.679   3.296
   61    H    ALA  24           H        ALA  24  -0.907  -1.528   1.400
   62    HA   ALA  24           HA       ALA  24   1.777  -2.287   2.216
   63   1HB   ALA  24          1HB       ALA  24   1.037  -4.500   1.485
   64   2HB   ALA  24          2HB       ALA  24  -0.270  -3.786   0.540
   65   3HB   ALA  24          3HB       ALA  24  -0.309  -3.705   2.301
   66    H    ARG  25           H        ARG  25   0.142  -1.726  -0.878
   67    HA   ARG  25           HA       ARG  25   2.212  -2.529  -2.692
   68   1HB   ARG  25          1HB       ARG  25  -0.045  -0.500  -2.762
   69   2HB   ARG  25          2HB       ARG  25   0.950  -0.836  -4.172
   70   1HG   ARG  25          1HG       ARG  25   0.260  -3.157  -4.183
   71   2HG   ARG  25          2HG       ARG  25  -0.586  -2.956  -2.649
   72   1HD   ARG  25          1HD       ARG  25  -2.286  -1.622  -3.623
   73   2HD   ARG  25          2HD       ARG  25  -1.312  -1.291  -5.069
   74    HE   ARG  25           HE       ARG  25  -1.672  -3.598  -5.785
   75   1HH1  ARG  25          1HH1      ARG  25  -4.426  -2.449  -4.874
   76   2HH1  ARG  25          2HH1      ARG  25  -5.072  -3.833  -4.055
   77   1HH2  ARG  25          1HH2      ARG  25  -2.017  -5.481  -3.877
   78   2HH2  ARG  25          2HH2      ARG  25  -3.704  -5.554  -3.489
   79    H    LEU  26           H        LEU  26   1.363   0.607  -1.292
   80    HA   LEU  26           HA       LEU  26   3.500   2.126  -2.490
   81   1HB   LEU  26          1HB       LEU  26   1.718   2.577  -0.068
   82   2HB   LEU  26          2HB       LEU  26   2.644   3.834  -0.888
   83    HG   LEU  26           HG       LEU  26   0.754   2.117  -2.467
   84   1HD1  LEU  26          1HD1      LEU  26  -0.565   4.530  -1.785
   85   2HD1  LEU  26          2HD1      LEU  26   0.001   3.818  -0.274
   86   3HD1  LEU  26          3HD1      LEU  26  -1.034   2.887  -1.354
   87   1HD2  LEU  26          1HD2      LEU  26   0.653   4.103  -3.876
   88   2HD2  LEU  26          2HD2      LEU  26   2.342   3.698  -3.573
   89   3HD2  LEU  26          3HD2      LEU  26   1.582   5.025  -2.694
   90    H    LYS  27           H        LYS  27   3.099   0.547   0.691
   91    HA   LYS  27           HA       LYS  27   5.558   1.555   1.840
   92   1HB   LYS  27          1HB       LYS  27   3.517   0.634   3.018
   93   2HB   LYS  27          2HB       LYS  27   4.011  -0.973   2.489
   94   1HG   LYS  27          1HG       LYS  27   6.248   0.420   3.695
   95   2HG   LYS  27          2HG       LYS  27   4.874   0.388   4.801
   96   1HD   LYS  27          1HD       LYS  27   5.651  -2.116   3.329
   97   2HD   LYS  27          2HD       LYS  27   6.550  -1.636   4.769
   98   1HE   LYS  27          1HE       LYS  27   4.911  -2.554   6.037
   99   2HE   LYS  27          2HE       LYS  27   3.786  -1.340   5.398
  100   1HZ   LYS  27          1HZ       LYS  27   4.506  -3.900   4.062
  101   2HZ   LYS  27          2HZ       LYS  27   3.438  -2.730   3.450
  102   3HZ   LYS  27          3HZ       LYS  27   3.043  -3.588   4.861
  103    H    LYS  28           H        LYS  28   4.930  -0.884  -0.532
  104    HA   LYS  28           HA       LYS  28   7.378  -2.434   0.047
  105   1HB   LYS  28          1HB       LYS  28   5.052  -3.266  -0.777
  106   2HB   LYS  28          2HB       LYS  28   5.569  -2.677  -2.356
  107   1HG   LYS  28          1HG       LYS  28   6.868  -4.489  -2.667
  108   2HG   LYS  28          2HG       LYS  28   7.691  -4.214  -1.131
  109   1HD   LYS  28          1HD       LYS  28   6.693  -6.317  -0.811
  110   2HD   LYS  28          2HD       LYS  28   5.534  -5.217  -0.064
  111   1HE   LYS  28          1HE       LYS  28   4.043  -6.357  -1.407
  112   2HE   LYS  28          2HE       LYS  28   4.613  -5.208  -2.632
  113   1HZ   LYS  28          1HZ       LYS  28   4.844  -7.486  -3.420
  114   2HZ   LYS  28          2HZ       LYS  28   5.800  -7.879  -2.072
  115   3HZ   LYS  28          3HZ       LYS  28   6.368  -6.769  -3.228
  116    H    LEU  29           H        LEU  29   6.100  -0.271  -2.486
  117    HA   LEU  29           HA       LEU  29   8.570  -0.342  -4.048
  118   1HB   LEU  29          1HB       LEU  29   7.378   1.155  -5.499
  119   2HB   LEU  29          2HB       LEU  29   6.189   0.012  -4.883
  120    HG   LEU  29           HG       LEU  29   5.961   1.904  -2.982
  121   1HD1  LEU  29          1HD1      LEU  29   7.477   3.535  -3.738
  122   2HD1  LEU  29          2HD1      LEU  29   5.941   4.108  -4.387
  123   3HD1  LEU  29          3HD1      LEU  29   7.077   3.255  -5.432
  124   1HD2  LEU  29          1HD2      LEU  29   4.671   2.045  -5.728
  125   2HD2  LEU  29          2HD2      LEU  29   4.017   2.740  -4.244
  126   3HD2  LEU  29          3HD2      LEU  29   4.152   0.990  -4.413
  127    H    VAL  30           H        VAL  30   7.384   1.556  -1.356
  128    HA   VAL  30           HA       VAL  30   9.708   3.429  -1.700
  129    HB   VAL  30           HB       VAL  30   7.112   4.105  -1.810
  130   1HG1  VAL  30          1HG1      VAL  30   6.887   3.127   0.594
  131   2HG1  VAL  30          2HG1      VAL  30   6.150   4.692   0.256
  132   3HG1  VAL  30          3HG1      VAL  30   7.693   4.609   1.106
  133   1HG2  VAL  30          1HG2      VAL  30   9.141   5.579  -2.020
  134   2HG2  VAL  30          2HG2      VAL  30   9.135   5.752  -0.265
  135   3HG2  VAL  30          3HG2      VAL  30   7.777   6.356  -1.215
  136    H    GLY  31           H        GLY  31  10.708   4.142   0.347
  137   1HA   GLY  31          1HA       GLY  31  10.135   2.427   2.711
  138   2HA   GLY  31          2HA       GLY  31  11.780   2.458   2.071
  139    H    GLU  32           H        GLU  32  12.985   3.685   3.448
  140    HA   GLU  32           HA       GLU  32  12.081   6.469   4.007
  141   1HB   GLU  32          1HB       GLU  32  11.415   4.724   5.810
  142   2HB   GLU  32          2HB       GLU  32  13.134   4.671   6.197
  143   1HG   GLU  32          1HG       GLU  32  11.759   7.333   5.992
  144   2HG   GLU  32          2HG       GLU  32  11.560   6.371   7.456
  Start of MODEL    9
    1   1H    ASN  16          1H        ASN  16 -10.919   0.392   6.418
    2    HA   ASN  16           HA       ASN  16  -8.787   0.505   5.258
    3   1HB   ASN  16          1HB       ASN  16 -10.100  -2.187   5.374
    4   2HB   ASN  16          2HB       ASN  16  -8.565  -2.065   4.516
    5   1HD2  ASN  16          1HD2      ASN  16 -10.092  -1.739   7.705
    6   2HD2  ASN  16          2HD2      ASN  16  -8.641  -1.681   8.583
    7    H    TYR  17           H        TYR  17 -11.126  -1.333   3.192
    8    HA   TYR  17           HA       TYR  17 -11.460  -1.222   0.845
    9   1HB   TYR  17          1HB       TYR  17 -11.993   1.066   1.282
   10   2HB   TYR  17          2HB       TYR  17 -10.341   1.471   1.683
   11    HD1  TYR  17           HD1      TYR  17 -11.901  -0.137  -1.367
   12    HD2  TYR  17           HD2      TYR  17  -9.551   3.068   0.249
   13    HE1  TYR  17           HE1      TYR  17 -11.544   0.767  -3.633
   14    HE2  TYR  17           HE2      TYR  17  -9.179   3.958  -2.010
   15    HH   TYR  17           HH       TYR  17 -10.932   3.562  -4.404
   16    H    HIS  18           H        HIS  18 -10.085  -1.051  -1.297
   17    HA   HIS  18           HA       HIS  18  -7.732  -2.561  -1.143
   18   1HB   HIS  18          1HB       HIS  18  -7.667  -2.224  -3.408
   19   2HB   HIS  18          2HB       HIS  18  -9.271  -1.554  -3.127
   20    HD2  HIS  18           HD2      HIS  18  -5.783   0.271  -2.523
   21    HE1  HIS  18           HE1      HIS  18  -8.222   2.725  -4.928
   22    HE2  HIS  18           HE2      HIS  18  -5.992   2.517  -3.805
   23    H    LEU  19           H        LEU  19  -8.280   0.796  -0.497
   24    HA   LEU  19           HA       LEU  19  -5.833   2.087  -0.624
   25   1HB   LEU  19          1HB       LEU  19  -8.295   2.239   0.702
   26   2HB   LEU  19          2HB       LEU  19  -7.115   2.230   1.989
   27    HG   LEU  19           HG       LEU  19  -6.069   4.208   1.195
   28   1HD1  LEU  19          1HD1      LEU  19  -5.747   4.068  -1.081
   29   2HD1  LEU  19          2HD1      LEU  19  -7.167   5.114  -1.094
   30   3HD1  LEU  19          3HD1      LEU  19  -7.344   3.380  -1.368
   31   1HD2  LEU  19          1HD2      LEU  19  -8.855   4.885   0.369
   32   2HD2  LEU  19          2HD2      LEU  19  -7.793   5.708   1.511
   33   3HD2  LEU  19          3HD2      LEU  19  -8.629   4.231   1.991
   34    H    GLU  20           H        GLU  20  -7.033  -0.188   1.757
   35    HA   GLU  20           HA       GLU  20  -4.809  -0.360   3.513
   36   1HB   GLU  20          1HB       GLU  20  -6.343  -1.740   4.488
   37   2HB   GLU  20          2HB       GLU  20  -7.392  -1.351   3.141
   38   1HG   GLU  20          1HG       GLU  20  -7.382  -3.707   3.244
   39   2HG   GLU  20          2HG       GLU  20  -6.302  -3.314   1.915
   40    H    ASN  21           H        ASN  21  -5.712  -2.210   0.616
   41    HA   ASN  21           HA       ASN  21  -3.279  -3.842   0.597
   42   1HB   ASN  21          1HB       ASN  21  -5.344  -4.567  -0.489
   43   2HB   ASN  21          2HB       ASN  21  -5.366  -3.117  -1.493
   44   1HD2  ASN  21          1HD2      ASN  21  -4.349  -3.285  -3.503
   45   2HD2  ASN  21          2HD2      ASN  21  -3.283  -4.528  -3.944
   46    H    GLU  22           H        GLU  22  -4.314  -0.782  -0.809
   47    HA   GLU  22           HA       GLU  22  -2.193  -0.222  -2.627
   48   1HB   GLU  22          1HB       GLU  22  -4.479   1.033  -1.433
   49   2HB   GLU  22          2HB       GLU  22  -3.118   2.123  -1.204
   50   1HG   GLU  22          1HG       GLU  22  -4.056   0.958  -3.817
   51   2HG   GLU  22          2HG       GLU  22  -4.264   2.617  -3.271
   52    H    VAL  23           H        VAL  23  -2.681   0.682   0.770
   53    HA   VAL  23           HA       VAL  23  -0.312   2.112   1.223
   54    HB   VAL  23           HB       VAL  23  -1.856   0.215   3.025
   55   1HG1  VAL  23          1HG1      VAL  23   0.280   0.611   4.055
   56   2HG1  VAL  23          2HG1      VAL  23  -0.879   1.672   4.856
   57   3HG1  VAL  23          3HG1      VAL  23   0.225   2.326   3.645
   58   1HG2  VAL  23          1HG2      VAL  23  -2.584   2.648   1.822
   59   2HG2  VAL  23          2HG2      VAL  23  -2.153   3.078   3.477
   60   3HG2  VAL  23          3HG2      VAL  23  -3.397   1.865   3.178
   61    H    ALA  24           H        ALA  24  -0.855  -1.408   1.317
   62    HA   ALA  24           HA       ALA  24   1.854  -2.125   2.077
   63   1HB   ALA  24          1HB       ALA  24  -0.169  -3.723   0.474
   64   2HB   ALA  24          2HB       ALA  24  -0.276  -3.519   2.223
   65   3HB   ALA  24          3HB       ALA  24   1.105  -4.356   1.515
   66    H    ARG  25           H        ARG  25   0.140  -1.668  -0.988
   67    HA   ARG  25           HA       ARG  25   2.181  -2.522  -2.822
   68   1HB   ARG  25          1HB       ARG  25  -0.137  -0.569  -2.905
   69   2HB   ARG  25          2HB       ARG  25   0.840  -0.900  -4.329
   70   1HG   ARG  25          1HG       ARG  25   0.302  -3.321  -4.095
   71   2HG   ARG  25          2HG       ARG  25  -0.745  -2.929  -2.732
   72   1HD   ARG  25          1HD       ARG  25  -2.415  -2.198  -4.093
   73   2HD   ARG  25          2HD       ARG  25  -1.287  -1.298  -5.125
   74    HE   ARG  25           HE       ARG  25  -1.524  -4.280  -5.307
   75   1HH1  ARG  25          1HH1      ARG  25   0.570  -2.967  -6.945
   76   2HH1  ARG  25          2HH1      ARG  25  -0.233  -2.705  -8.457
   77   1HH2  ARG  25          1HH2      ARG  25  -3.420  -3.148  -7.140
   78   2HH2  ARG  25          2HH2      ARG  25  -2.499  -2.809  -8.568
   79    H    LEU  26           H        LEU  26   1.367   0.606  -1.399
   80    HA   LEU  26           HA       LEU  26   3.403   2.133  -2.785
   81   1HB   LEU  26          1HB       LEU  26   1.669   2.649  -0.342
   82   2HB   LEU  26          2HB       LEU  26   2.559   3.892  -1.223
   83    HG   LEU  26           HG       LEU  26   0.671   2.082  -2.701
   84   1HD1  LEU  26          1HD1      LEU  26  -1.113   2.883  -1.604
   85   2HD1  LEU  26          2HD1      LEU  26  -0.658   4.514  -2.092
   86   3HD1  LEU  26          3HD1      LEU  26  -0.071   3.854  -0.566
   87   1HD2  LEU  26          1HD2      LEU  26   1.499   4.980  -3.059
   88   2HD2  LEU  26          2HD2      LEU  26   0.501   4.040  -4.170
   89   3HD2  LEU  26          3HD2      LEU  26   2.195   3.612  -3.928
   90    H    LYS  27           H        LYS  27   3.175   0.666   0.476
   91    HA   LYS  27           HA       LYS  27   5.720   1.812   1.355
   92   1HB   LYS  27          1HB       LYS  27   5.258   0.619   3.376
   93   2HB   LYS  27          2HB       LYS  27   3.692   1.149   2.766
   94   1HG   LYS  27          1HG       LYS  27   3.039  -1.006   2.914
   95   2HG   LYS  27          2HG       LYS  27   4.087  -1.322   1.532
   96   1HD   LYS  27          1HD       LYS  27   5.789  -1.230   3.786
   97   2HD   LYS  27          2HD       LYS  27   4.392  -2.191   4.271
   98   1HE   LYS  27          1HE       LYS  27   5.748  -2.691   1.616
   99   2HE   LYS  27          2HE       LYS  27   6.350  -3.442   3.105
  100   1HZ   LYS  27          1HZ       LYS  27   4.694  -4.863   2.103
  101   2HZ   LYS  27          2HZ       LYS  27   3.569  -3.591   2.058
  102   3HZ   LYS  27          3HZ       LYS  27   4.078  -4.226   3.549
  103    H    LYS  28           H        LYS  28   4.972  -0.726  -0.763
  104    HA   LYS  28           HA       LYS  28   7.262  -2.444  -0.020
  105   1HB   LYS  28          1HB       LYS  28   4.785  -2.618  -1.544
  106   2HB   LYS  28          2HB       LYS  28   6.144  -3.255  -2.467
  107   1HG   LYS  28          1HG       LYS  28   6.253  -4.118   0.313
  108   2HG   LYS  28          2HG       LYS  28   4.738  -4.596  -0.453
  109   1HD   LYS  28          1HD       LYS  28   5.823  -6.267  -1.496
  110   2HD   LYS  28          2HD       LYS  28   6.796  -5.072  -2.352
  111   1HE   LYS  28          1HE       LYS  28   7.556  -5.717   0.477
  112   2HE   LYS  28          2HE       LYS  28   7.961  -6.891  -0.790
  113   1HZ   LYS  28          1HZ       LYS  28   8.628  -3.992  -0.793
  114   2HZ   LYS  28          2HZ       LYS  28   8.913  -5.050  -2.092
  115   3HZ   LYS  28          3HZ       LYS  28   9.724  -5.275  -0.618
  116    H    LEU  29           H        LEU  29   6.214  -0.326  -2.682
  117    HA   LEU  29           HA       LEU  29   8.556  -0.687  -4.319
  118   1HB   LEU  29          1HB       LEU  29   7.596   1.075  -5.614
  119   2HB   LEU  29          2HB       LEU  29   6.223   0.233  -4.902
  120    HG   LEU  29           HG       LEU  29   6.706   2.070  -2.960
  121   1HD1  LEU  29          1HD1      LEU  29   8.472   3.250  -4.064
  122   2HD1  LEU  29          2HD1      LEU  29   7.033   4.253  -4.251
  123   3HD1  LEU  29          3HD1      LEU  29   7.598   3.262  -5.596
  124   1HD2  LEU  29          1HD2      LEU  29   4.578   1.536  -4.244
  125   2HD2  LEU  29          2HD2      LEU  29   5.111   2.697  -5.458
  126   3HD2  LEU  29          3HD2      LEU  29   4.780   3.234  -3.812
  127    H    VAL  30           H        VAL  30   7.905   1.275  -1.481
  128    HA   VAL  30           HA       VAL  30  10.304   2.969  -1.930
  129    HB   VAL  30           HB       VAL  30   9.497   4.081   0.123
  130   1HG1  VAL  30          1HG1      VAL  30   8.504   4.618  -2.120
  131   2HG1  VAL  30          2HG1      VAL  30   7.422   4.947  -0.767
  132   3HG1  VAL  30          3HG1      VAL  30   7.191   3.502  -1.748
  133   1HG2  VAL  30          1HG2      VAL  30   8.143   1.556   0.481
  134   2HG2  VAL  30          2HG2      VAL  30   6.974   2.874   0.517
  135   3HG2  VAL  30          3HG2      VAL  30   8.338   2.878   1.631
  136    H    GLY  31           H        GLY  31  11.632   3.233   0.286
  137   1HA   GLY  31          1HA       GLY  31  12.827   0.626   0.815
  138   2HA   GLY  31          2HA       GLY  31  13.336   2.161   1.520
  139    H    GLU  32           H        GLU  32  11.897  -0.772   2.234
  140    HA   GLU  32           HA       GLU  32  10.009   0.115   4.288
  141   1HB   GLU  32          1HB       GLU  32  11.145  -2.440   3.222
  142   2HB   GLU  32          2HB       GLU  32  10.409  -2.482   4.824
  143   1HG   GLU  32          1HG       GLU  32   8.358  -2.485   3.905
  144   2HG   GLU  32          2HG       GLU  32   8.708  -0.962   3.087
  Start of MODEL   10
    1   1H    ASN  16          1H        ASN  16 -10.963  -1.861   5.220
    2    HA   ASN  16           HA       ASN  16 -10.681   0.522   4.965
    3   1HB   ASN  16          1HB       ASN  16  -8.293  -0.296   6.043
    4   2HB   ASN  16          2HB       ASN  16  -7.784   0.350   4.483
    5   1HD2  ASN  16          1HD2      ASN  16  -8.374   2.643   4.003
    6   2HD2  ASN  16          2HD2      ASN  16  -8.682   3.716   5.282
    7    H    TYR  17           H        TYR  17 -11.311  -1.337   2.848
    8    HA   TYR  17           HA       TYR  17 -11.482  -1.283   0.485
    9   1HB   TYR  17          1HB       TYR  17 -12.160   0.936   0.852
   10   2HB   TYR  17          2HB       TYR  17 -10.615   1.415   1.499
   11    HD1  TYR  17           HD1      TYR  17  -9.572   3.026   0.309
   12    HD2  TYR  17           HD2      TYR  17 -11.839   0.082  -1.831
   13    HE1  TYR  17           HE1      TYR  17  -9.032   4.173  -1.792
   14    HE2  TYR  17           HE2      TYR  17 -11.289   1.225  -3.946
   15    HH   TYR  17           HH       TYR  17 -10.595   4.098  -4.324
   16    H    HIS  18           H        HIS  18 -10.013  -0.864  -1.608
   17    HA   HIS  18           HA       HIS  18  -7.675  -2.399  -1.511
   18   1HB   HIS  18          1HB       HIS  18  -7.505  -1.820  -3.742
   19   2HB   HIS  18          2HB       HIS  18  -9.110  -1.153  -3.463
   20    HD2  HIS  18           HD2      HIS  18  -5.623   0.540  -2.532
   21    HE1  HIS  18           HE1      HIS  18  -7.916   3.249  -4.792
   22    HE2  HIS  18           HE2      HIS  18  -5.752   2.903  -3.587
   23    H    LEU  19           H        LEU  19  -8.248   0.843  -0.511
   24    HA   LEU  19           HA       LEU  19  -5.826   2.151  -0.350
   25   1HB   LEU  19          1HB       LEU  19  -8.376   2.122   0.811
   26   2HB   LEU  19          2HB       LEU  19  -7.280   2.010   2.166
   27    HG   LEU  19           HG       LEU  19  -6.256   4.087   1.662
   28   1HD1  LEU  19          1HD1      LEU  19  -7.257   3.468  -1.072
   29   2HD1  LEU  19          2HD1      LEU  19  -5.732   4.199  -0.574
   30   3HD1  LEU  19          3HD1      LEU  19  -7.201   5.172  -0.626
   31   1HD2  LEU  19          1HD2      LEU  19  -8.933   4.849   0.641
   32   2HD2  LEU  19          2HD2      LEU  19  -8.049   5.455   2.042
   33   3HD2  LEU  19          3HD2      LEU  19  -8.925   3.927   2.144
   34    H    GLU  20           H        GLU  20  -7.108  -0.364   1.792
   35    HA   GLU  20           HA       GLU  20  -4.918  -0.656   3.599
   36   1HB   GLU  20          1HB       GLU  20  -7.227  -2.248   2.603
   37   2HB   GLU  20          2HB       GLU  20  -5.913  -3.190   3.305
   38   1HG   GLU  20          1HG       GLU  20  -6.562  -0.829   4.864
   39   2HG   GLU  20          2HG       GLU  20  -7.925  -1.933   4.695
   40    H    ASN  21           H        ASN  21  -5.754  -2.362   0.608
   41    HA   ASN  21           HA       ASN  21  -3.313  -3.881   0.514
   42   1HB   ASN  21          1HB       ASN  21  -5.531  -4.250  -0.721
   43   2HB   ASN  21          2HB       ASN  21  -5.005  -2.994  -1.842
   44   1HD2  ASN  21          1HD2      ASN  21  -4.565  -6.343  -0.924
   45   2HD2  ASN  21          2HD2      ASN  21  -3.409  -6.720  -2.109
   46    H    GLU  22           H        GLU  22  -4.266  -0.731  -0.725
   47    HA   GLU  22           HA       GLU  22  -2.075  -0.056  -2.410
   48   1HB   GLU  22          1HB       GLU  22  -4.402   1.115  -1.213
   49   2HB   GLU  22          2HB       GLU  22  -3.052   2.187  -0.866
   50   1HG   GLU  22          1HG       GLU  22  -3.907   1.195  -3.574
   51   2HG   GLU  22          2HG       GLU  22  -4.116   2.819  -2.931
   52    H    VAL  23           H        VAL  23  -2.666   0.562   1.032
   53    HA   VAL  23           HA       VAL  23  -0.319   1.974   1.657
   54    HB   VAL  23           HB       VAL  23  -1.879  -0.063   3.285
   55   1HG1  VAL  23          1HG1      VAL  23  -0.999   1.271   5.232
   56   2HG1  VAL  23          2HG1      VAL  23   0.082   2.095   4.108
   57   3HG1  VAL  23          3HG1      VAL  23   0.240   0.358   4.372
   58   1HG2  VAL  23          1HG2      VAL  23  -2.619   2.448   2.218
   59   2HG2  VAL  23          2HG2      VAL  23  -2.306   2.731   3.929
   60   3HG2  VAL  23          3HG2      VAL  23  -3.487   1.518   3.438
   61    H    ALA  24           H        ALA  24  -0.841  -1.539   1.429
   62    HA   ALA  24           HA       ALA  24   1.851  -2.292   2.236
   63   1HB   ALA  24          1HB       ALA  24  -0.161  -3.786   0.522
   64   2HB   ALA  24          2HB       ALA  24  -0.247  -3.715   2.283
   65   3HB   ALA  24          3HB       ALA  24   1.128  -4.493   1.497
   66    H    ARG  25           H        ARG  25   0.212  -1.583  -0.813
   67    HA   ARG  25           HA       ARG  25   2.292  -2.361  -2.647
   68   1HB   ARG  25          1HB       ARG  25  -0.022  -0.400  -2.684
   69   2HB   ARG  25          2HB       ARG  25   0.983  -0.674  -4.101
   70   1HG   ARG  25          1HG       ARG  25   0.437  -3.110  -3.959
   71   2HG   ARG  25          2HG       ARG  25  -0.658  -2.750  -2.626
   72   1HD   ARG  25          1HD       ARG  25  -2.282  -2.069  -4.051
   73   2HD   ARG  25          2HD       ARG  25  -1.156  -1.002  -4.911
   74    HE   ARG  25           HE       ARG  25  -1.561  -3.896  -5.508
   75   1HH1  ARG  25          1HH1      ARG  25   1.236  -3.188  -6.083
   76   2HH1  ARG  25          2HH1      ARG  25   1.166  -2.579  -7.703
   77   1HH2  ARG  25          1HH2      ARG  25  -2.273  -2.086  -7.654
   78   2HH2  ARG  25          2HH2      ARG  25  -0.825  -1.954  -8.594
   79    H    LEU  26           H        LEU  26   1.459   0.685  -1.050
   80    HA   LEU  26           HA       LEU  26   3.487   2.325  -2.282
   81   1HB   LEU  26          1HB       LEU  26   1.520   2.431  -0.028
   82   2HB   LEU  26          2HB       LEU  26   2.793   3.645  -0.045
   83    HG   LEU  26           HG       LEU  26   1.869   4.756  -1.800
   84   1HD1  LEU  26          1HD1      LEU  26   0.774   3.583  -3.744
   85   2HD1  LEU  26          2HD1      LEU  26   1.142   2.048  -2.961
   86   3HD1  LEU  26          3HD1      LEU  26   2.450   3.110  -3.482
   87   1HD2  LEU  26          1HD2      LEU  26  -0.537   2.974  -1.417
   88   2HD2  LEU  26          2HD2      LEU  26  -0.500   4.699  -1.781
   89   3HD2  LEU  26          3HD2      LEU  26  -0.032   4.125  -0.180
   90    H    LYS  27           H        LYS  27   3.281   0.794   0.968
   91    HA   LYS  27           HA       LYS  27   5.887   1.690   1.826
   92   1HB   LYS  27          1HB       LYS  27   5.437   0.340   3.727
   93   2HB   LYS  27          2HB       LYS  27   3.849   0.857   3.169
   94   1HG   LYS  27          1HG       LYS  27   3.679  -1.307   1.888
   95   2HG   LYS  27          2HG       LYS  27   5.173  -1.824   2.669
   96   1HD   LYS  27          1HD       LYS  27   2.799  -0.871   4.276
   97   2HD   LYS  27          2HD       LYS  27   2.958  -2.554   3.775
   98   1HE   LYS  27          1HE       LYS  27   5.263  -1.188   5.162
   99   2HE   LYS  27          2HE       LYS  27   3.923  -1.860   6.109
  100   1HZ   LYS  27          1HZ       LYS  27   4.187  -3.954   4.880
  101   2HZ   LYS  27          2HZ       LYS  27   5.589  -3.555   5.754
  102   3HZ   LYS  27          3HZ       LYS  27   5.535  -3.312   4.074
  103    H    LYS  28           H        LYS  28   4.949  -0.822  -0.357
  104    HA   LYS  28           HA       LYS  28   7.391  -2.434   0.070
  105   1HB   LYS  28          1HB       LYS  28   5.091  -3.364  -0.423
  106   2HB   LYS  28          2HB       LYS  28   5.212  -2.649  -2.030
  107   1HG   LYS  28          1HG       LYS  28   7.401  -3.942  -2.292
  108   2HG   LYS  28          2HG       LYS  28   6.945  -4.820  -0.832
  109   1HD   LYS  28          1HD       LYS  28   5.375  -6.042  -1.918
  110   2HD   LYS  28          2HD       LYS  28   4.780  -4.643  -2.812
  111   1HE   LYS  28          1HE       LYS  28   7.472  -5.739  -3.556
  112   2HE   LYS  28          2HE       LYS  28   6.025  -6.614  -4.094
  113   1HZ   LYS  28          1HZ       LYS  28   5.133  -4.547  -4.972
  114   2HZ   LYS  28          2HZ       LYS  28   6.642  -4.880  -5.679
  115   3HZ   LYS  28          3HZ       LYS  28   6.513  -3.702  -4.461
  116    H    LEU  29           H        LEU  29   5.946  -0.351  -2.443
  117    HA   LEU  29           HA       LEU  29   8.251  -0.580  -4.221
  118   1HB   LEU  29          1HB       LEU  29   6.925   0.688  -5.677
  119   2HB   LEU  29          2HB       LEU  29   5.704  -0.083  -4.670
  120    HG   LEU  29           HG       LEU  29   6.066   2.108  -3.186
  121   1HD1  LEU  29          1HD1      LEU  29   6.174   3.899  -5.258
  122   2HD1  LEU  29          2HD1      LEU  29   7.340   2.689  -5.789
  123   3HD1  LEU  29          3HD1      LEU  29   7.548   3.489  -4.232
  124   1HD2  LEU  29          1HD2      LEU  29   4.470   2.099  -5.768
  125   2HD2  LEU  29          2HD2      LEU  29   4.145   3.092  -4.347
  126   3HD2  LEU  29          3HD2      LEU  29   3.952   1.342  -4.263
  127    H    VAL  30           H        VAL  30   7.357   1.511  -1.551
  128    HA   VAL  30           HA       VAL  30   9.436   3.515  -2.275
  129    HB   VAL  30           HB       VAL  30   7.321   3.329  -0.106
  130   1HG1  VAL  30          1HG1      VAL  30   9.411   5.445  -0.670
  131   2HG1  VAL  30          2HG1      VAL  30   9.111   4.599   0.848
  132   3HG1  VAL  30          3HG1      VAL  30   7.945   5.779   0.253
  133   1HG2  VAL  30          1HG2      VAL  30   7.609   4.934  -2.661
  134   2HG2  VAL  30          2HG2      VAL  30   6.438   5.341  -1.407
  135   3HG2  VAL  30          3HG2      VAL  30   6.331   3.793  -2.243
  136    H    GLY  31           H        GLY  31   8.576   1.420   0.494
  137   1HA   GLY  31          1HA       GLY  31  10.799   0.121   1.170
  138   2HA   GLY  31          2HA       GLY  31  11.315   1.755   1.588
  139    H    GLU  32           H        GLU  32  10.857  -0.583   3.362
  140    HA   GLU  32           HA       GLU  32   9.919  -1.032   5.473
  141   1HB   GLU  32          1HB       GLU  32  10.823   1.452   5.482
  142   2HB   GLU  32          2HB       GLU  32   9.112   1.866   5.583
  143   1HG   GLU  32          1HG       GLU  32   9.723  -0.284   7.421
  144   2HG   GLU  32          2HG       GLU  32  10.801   1.083   7.704
  Start of MODEL   11
    1   1H    ASN  16          1H        ASN  16 -11.353   0.321   6.070
    2    HA   ASN  16           HA       ASN  16  -9.125   0.531   5.055
    3   1HB   ASN  16          1HB       ASN  16 -10.471  -2.148   5.013
    4   2HB   ASN  16          2HB       ASN  16  -8.868  -2.025   4.292
    5   1HD2  ASN  16          1HD2      ASN  16 -10.655  -1.467   7.350
    6   2HD2  ASN  16          2HD2      ASN  16  -9.285  -1.558   8.348
    7    H    TYR  17           H        TYR  17 -11.329  -1.233   2.792
    8    HA   TYR  17           HA       TYR  17 -11.487  -1.081   0.429
    9   1HB   TYR  17          1HB       TYR  17 -12.010   1.210   0.873
   10   2HB   TYR  17          2HB       TYR  17 -10.380   1.577   1.386
   11    HD1  TYR  17           HD1      TYR  17  -9.454   3.168   0.027
   12    HD2  TYR  17           HD2      TYR  17 -11.776   0.045  -1.779
   13    HE1  TYR  17           HE1      TYR  17  -8.925   4.081  -2.190
   14    HE2  TYR  17           HE2      TYR  17 -11.243   0.960  -4.005
   15    HH   TYR  17           HH       TYR  17 -10.504   3.780  -4.680
   16    H    HIS  18           H        HIS  18  -9.962  -0.893  -1.603
   17    HA   HIS  18           HA       HIS  18  -7.651  -2.450  -1.310
   18   1HB   HIS  18          1HB       HIS  18  -7.423  -2.081  -3.559
   19   2HB   HIS  18          2HB       HIS  18  -9.030  -1.385  -3.380
   20    HD2  HIS  18           HD2      HIS  18  -5.561   0.364  -2.507
   21    HE1  HIS  18           HE1      HIS  18  -7.786   2.901  -5.032
   22    HE2  HIS  18           HE2      HIS  18  -5.643   2.634  -3.761
   23    H    LEU  19           H        LEU  19  -8.189   0.904  -0.640
   24    HA   LEU  19           HA       LEU  19  -5.723   2.160  -0.579
   25   1HB   LEU  19          1HB       LEU  19  -8.263   2.322   0.589
   26   2HB   LEU  19          2HB       LEU  19  -7.170   2.266   1.950
   27    HG   LEU  19           HG       LEU  19  -6.062   4.252   1.286
   28   1HD1  LEU  19          1HD1      LEU  19  -6.922   5.224  -1.061
   29   2HD1  LEU  19          2HD1      LEU  19  -7.147   3.507  -1.393
   30   3HD1  LEU  19          3HD1      LEU  19  -5.551   4.120  -0.961
   31   1HD2  LEU  19          1HD2      LEU  19  -8.691   4.279   1.847
   32   2HD2  LEU  19          2HD2      LEU  19  -8.749   4.992   0.234
   33   3HD2  LEU  19          3HD2      LEU  19  -7.791   5.756   1.502
   34    H    GLU  20           H        GLU  20  -7.102  -0.148   1.672
   35    HA   GLU  20           HA       GLU  20  -4.988  -0.390   3.556
   36   1HB   GLU  20          1HB       GLU  20  -6.604  -1.757   4.411
   37   2HB   GLU  20          2HB       GLU  20  -7.562  -1.333   3.008
   38   1HG   GLU  20          1HG       GLU  20  -7.589  -3.693   3.083
   39   2HG   GLU  20          2HG       GLU  20  -6.436  -3.294   1.820
   40    H    ASN  21           H        ASN  21  -5.759  -2.178   0.583
   41    HA   ASN  21           HA       ASN  21  -3.354  -3.849   0.660
   42   1HB   ASN  21          1HB       ASN  21  -5.631  -4.127  -0.602
   43   2HB   ASN  21          2HB       ASN  21  -4.907  -3.068  -1.814
   44   1HD2  ASN  21          1HD2      ASN  21  -4.284  -6.147  -0.050
   45   2HD2  ASN  21          2HD2      ASN  21  -3.359  -6.843  -1.291
   46    H    GLU  22           H        GLU  22  -4.243  -0.731  -0.711
   47    HA   GLU  22           HA       GLU  22  -2.023  -0.178  -2.405
   48   1HB   GLU  22          1HB       GLU  22  -4.343   1.092  -1.321
   49   2HB   GLU  22          2HB       GLU  22  -2.982   2.142  -0.948
   50   1HG   GLU  22          1HG       GLU  22  -3.735   1.102  -3.672
   51   2HG   GLU  22          2HG       GLU  22  -3.977   2.738  -3.074
   52    H    VAL  23           H        VAL  23  -2.659   0.655   0.985
   53    HA   VAL  23           HA       VAL  23  -0.283   2.005   1.599
   54    HB   VAL  23           HB       VAL  23  -1.944   0.083   3.267
   55   1HG1  VAL  23          1HG1      VAL  23   0.305   1.945   3.940
   56   2HG1  VAL  23          2HG1      VAL  23  -0.069   0.355   4.606
   57   3HG1  VAL  23          3HG1      VAL  23  -1.015   1.760   5.095
   58   1HG2  VAL  23          1HG2      VAL  23  -2.266   2.906   3.826
   59   2HG2  VAL  23          2HG2      VAL  23  -3.486   1.733   3.331
   60   3HG2  VAL  23          3HG2      VAL  23  -2.546   2.596   2.113
   61    H    ALA  24           H        ALA  24  -0.894  -1.510   1.571
   62    HA   ALA  24           HA       ALA  24   1.778  -2.281   2.415
   63   1HB   ALA  24          1HB       ALA  24  -0.285  -3.699   2.528
   64   2HB   ALA  24          2HB       ALA  24   1.024  -4.499   1.657
   65   3HB   ALA  24          3HB       ALA  24  -0.305  -3.760   0.765
   66    H    ARG  25           H        ARG  25   0.164  -1.799  -0.707
   67    HA   ARG  25           HA       ARG  25   2.238  -2.619  -2.498
   68   1HB   ARG  25          1HB       ARG  25   0.018  -0.547  -2.603
   69   2HB   ARG  25          2HB       ARG  25   1.008  -0.935  -4.004
   70   1HG   ARG  25          1HG       ARG  25   0.216  -3.178  -4.073
   71   2HG   ARG  25          2HG       ARG  25  -0.471  -3.065  -2.454
   72   1HD   ARG  25          1HD       ARG  25  -2.393  -2.109  -3.215
   73   2HD   ARG  25          2HD       ARG  25  -1.521  -1.049  -4.338
   74    HE   ARG  25           HE       ARG  25  -1.960  -3.959  -4.910
   75   1HH1  ARG  25          1HH1      ARG  25  -4.004  -2.094  -6.018
   76   2HH1  ARG  25          2HH1      ARG  25  -3.370  -1.734  -7.590
   77   1HH2  ARG  25          1HH2      ARG  25  -0.170  -2.870  -6.848
   78   2HH2  ARG  25          2HH2      ARG  25  -1.192  -2.176  -8.062
   79    H    LEU  26           H        LEU  26   1.406   0.539  -1.145
   80    HA   LEU  26           HA       LEU  26   3.535   2.052  -2.329
   81   1HB   LEU  26          1HB       LEU  26   1.814   2.465   0.141
   82   2HB   LEU  26          2HB       LEU  26   2.729   3.734  -0.676
   83    HG   LEU  26           HG       LEU  26   0.805   2.049  -2.249
   84   1HD1  LEU  26          1HD1      LEU  26   0.063   3.620   0.005
   85   2HD1  LEU  26          2HD1      LEU  26  -0.990   2.831  -1.166
   86   3HD1  LEU  26          3HD1      LEU  26  -0.451   4.487  -1.442
   87   1HD2  LEU  26          1HD2      LEU  26   2.433   4.403  -2.645
   88   2HD2  LEU  26          2HD2      LEU  26   0.736   4.786  -2.938
   89   3HD2  LEU  26          3HD2      LEU  26   1.512   3.480  -3.832
   90    H    LYS  27           H        LYS  27   3.284   0.200   0.686
   91    HA   LYS  27           HA       LYS  27   5.700   1.247   1.909
   92   1HB   LYS  27          1HB       LYS  27   3.706  -0.913   2.329
   93   2HB   LYS  27          2HB       LYS  27   5.297  -1.204   3.034
   94   1HG   LYS  27          1HG       LYS  27   5.147   1.135   4.032
   95   2HG   LYS  27          2HG       LYS  27   3.451   1.138   3.546
   96   1HD   LYS  27          1HD       LYS  27   4.243  -1.313   4.955
   97   2HD   LYS  27          2HD       LYS  27   4.421   0.142   5.937
   98   1HE   LYS  27          1HE       LYS  27   1.896  -0.156   4.349
   99   2HE   LYS  27          2HE       LYS  27   2.080  -1.131   5.820
  100   1HZ   LYS  27          1HZ       LYS  27   2.758   0.918   6.991
  101   2HZ   LYS  27          2HZ       LYS  27   1.163   0.995   6.414
  102   3HZ   LYS  27          3HZ       LYS  27   2.404   1.817   5.597
  103    H    LYS  28           H        LYS  28   5.098  -1.089  -0.601
  104    HA   LYS  28           HA       LYS  28   7.705  -2.445  -0.272
  105   1HB   LYS  28          1HB       LYS  28   5.304  -3.332  -1.033
  106   2HB   LYS  28          2HB       LYS  28   5.880  -2.814  -2.617
  107   1HG   LYS  28          1HG       LYS  28   8.077  -4.134  -1.733
  108   2HG   LYS  28          2HG       LYS  28   6.818  -5.045  -0.899
  109   1HD   LYS  28          1HD       LYS  28   6.578  -6.189  -2.837
  110   2HD   LYS  28          2HD       LYS  28   5.771  -4.744  -3.446
  111   1HE   LYS  28          1HE       LYS  28   7.855  -3.894  -4.371
  112   2HE   LYS  28          2HE       LYS  28   8.769  -5.219  -3.626
  113   1HZ   LYS  28          1HZ       LYS  28   8.222  -5.735  -5.930
  114   2HZ   LYS  28          2HZ       LYS  28   6.567  -5.531  -5.603
  115   3HZ   LYS  28          3HZ       LYS  28   7.430  -6.801  -4.875
  116    H    LEU  29           H        LEU  29   6.060  -0.292  -2.585
  117    HA   LEU  29           HA       LEU  29   8.445  -0.071  -4.295
  118   1HB   LEU  29          1HB       LEU  29   6.983   1.300  -5.663
  119   2HB   LEU  29          2HB       LEU  29   6.059  -0.089  -5.095
  120    HG   LEU  29           HG       LEU  29   5.542   1.633  -3.076
  121   1HD1  LEU  29          1HD1      LEU  29   4.972   3.810  -4.509
  122   2HD1  LEU  29          2HD1      LEU  29   6.355   3.260  -5.455
  123   3HD1  LEU  29          3HD1      LEU  29   6.545   3.613  -3.737
  124   1HD2  LEU  29          1HD2      LEU  29   4.071   1.740  -5.728
  125   2HD2  LEU  29          2HD2      LEU  29   3.390   1.980  -4.119
  126   3HD2  LEU  29          3HD2      LEU  29   3.951   0.382  -4.610
  127    H    VAL  30           H        VAL  30   7.667   1.300  -1.344
  128    HA   VAL  30           HA       VAL  30   7.927   3.985  -1.226
  129    HB   VAL  30           HB       VAL  30   9.627   3.540   0.671
  130   1HG1  VAL  30          1HG1      VAL  30   7.207   1.780   0.873
  131   2HG1  VAL  30          2HG1      VAL  30   7.018   3.525   0.717
  132   3HG1  VAL  30          3HG1      VAL  30   7.903   2.851   2.086
  133   1HG2  VAL  30          1HG2      VAL  30   8.965   0.659   0.023
  134   2HG2  VAL  30          2HG2      VAL  30  10.068   1.257   1.261
  135   3HG2  VAL  30          3HG2      VAL  30  10.485   1.418  -0.444
  136    H    GLY  31           H        GLY  31   9.137   5.484  -2.274
  137   1HA   GLY  31          1HA       GLY  31  11.902   5.731  -2.309
  138   2HA   GLY  31          2HA       GLY  31  11.540   4.781  -3.751
  139    H    GLU  32           H        GLU  32  10.339   7.733  -2.105
  140    HA   GLU  32           HA       GLU  32  10.318   9.099  -4.767
  141   1HB   GLU  32          1HB       GLU  32   8.076   8.105  -3.989
  142   2HB   GLU  32          2HB       GLU  32   8.102   9.328  -2.719
  143   1HG   GLU  32          1HG       GLU  32   8.639  10.906  -4.834
  144   2HG   GLU  32          2HG       GLU  32   7.710   9.650  -5.652
  Start of MODEL   12
    1   1H    ASN  16          1H        ASN  16 -11.739   1.198   6.567
    2    HA   ASN  16           HA       ASN  16  -9.931   0.880   5.047
    3   1HB   ASN  16          1HB       ASN  16  -9.416  -1.505   4.916
    4   2HB   ASN  16          2HB       ASN  16 -10.131  -1.175   6.492
    5   1HD2  ASN  16          1HD2      ASN  16 -12.344  -1.948   6.884
    6   2HD2  ASN  16          2HD2      ASN  16 -13.064  -3.098   5.864
    7    H    TYR  17           H        TYR  17  -9.428  -0.561   2.930
    8    HA   TYR  17           HA       TYR  17 -11.458  -0.941   0.927
    9   1HB   TYR  17          1HB       TYR  17 -11.967   1.362   1.106
   10   2HB   TYR  17          2HB       TYR  17 -10.329   1.787   1.550
   11    HD1  TYR  17           HD1      TYR  17 -11.928   0.189  -1.493
   12    HD2  TYR  17           HD2      TYR  17  -9.374   3.251   0.088
   13    HE1  TYR  17           HE1      TYR  17 -11.527   1.054  -3.766
   14    HE2  TYR  17           HE2      TYR  17  -8.954   4.098  -2.179
   15    HH   TYR  17           HH       TYR  17 -10.711   3.835  -4.541
   16    H    HIS  18           H        HIS  18 -10.127  -0.789  -1.393
   17    HA   HIS  18           HA       HIS  18  -7.857  -2.420  -1.276
   18   1HB   HIS  18          1HB       HIS  18  -7.770  -2.041  -3.536
   19   2HB   HIS  18          2HB       HIS  18  -9.329  -1.278  -3.241
   20    HD2  HIS  18           HD2      HIS  18  -5.759   0.340  -2.564
   21    HE1  HIS  18           HE1      HIS  18  -8.011   2.954  -4.980
   22    HE2  HIS  18           HE2      HIS  18  -5.827   2.620  -3.801
   23    H    LEU  19           H        LEU  19  -8.222   0.955  -0.607
   24    HA   LEU  19           HA       LEU  19  -5.730   2.138  -0.667
   25   1HB   LEU  19          1HB       LEU  19  -8.209   2.361   0.616
   26   2HB   LEU  19          2HB       LEU  19  -7.057   2.287   1.925
   27    HG   LEU  19           HG       LEU  19  -5.912   4.234   1.167
   28   1HD1  LEU  19          1HD1      LEU  19  -7.191   3.489  -1.407
   29   2HD1  LEU  19          2HD1      LEU  19  -5.604   4.195  -1.104
   30   3HD1  LEU  19          3HD1      LEU  19  -7.041   5.219  -1.099
   31   1HD2  LEU  19          1HD2      LEU  19  -8.677   5.035   0.379
   32   2HD2  LEU  19          2HD2      LEU  19  -7.578   5.789   1.533
   33   3HD2  LEU  19          3HD2      LEU  19  -8.465   4.332   1.982
   34    H    GLU  20           H        GLU  20  -7.071  -0.098   1.676
   35    HA   GLU  20           HA       GLU  20  -4.902  -0.386   3.481
   36   1HB   GLU  20          1HB       GLU  20  -6.513  -1.710   4.410
   37   2HB   GLU  20          2HB       GLU  20  -7.517  -1.250   3.051
   38   1HG   GLU  20          1HG       GLU  20  -7.626  -3.608   3.119
   39   2HG   GLU  20          2HG       GLU  20  -6.505  -3.249   1.815
   40    H    ASN  21           H        ASN  21  -5.800  -2.177   0.546
   41    HA   ASN  21           HA       ASN  21  -3.441  -3.917   0.599
   42   1HB   ASN  21          1HB       ASN  21  -5.499  -4.577  -0.527
   43   2HB   ASN  21          2HB       ASN  21  -5.470  -3.122  -1.521
   44   1HD2  ASN  21          1HD2      ASN  21  -4.763  -3.567  -3.598
   45   2HD2  ASN  21          2HD2      ASN  21  -3.601  -4.731  -4.009
   46    H    GLU  22           H        GLU  22  -4.327  -0.835  -0.861
   47    HA   GLU  22           HA       GLU  22  -2.120  -0.370  -2.610
   48   1HB   GLU  22          1HB       GLU  22  -4.431   0.939  -1.570
   49   2HB   GLU  22          2HB       GLU  22  -3.083   1.996  -1.200
   50   1HG   GLU  22          1HG       GLU  22  -4.381   1.449  -3.737
   51   2HG   GLU  22          2HG       GLU  22  -3.362   2.798  -3.266
   52    H    VAL  23           H        VAL  23  -2.695   0.555   0.775
   53    HA   VAL  23           HA       VAL  23  -0.308   1.919   1.350
   54    HB   VAL  23           HB       VAL  23  -2.012   0.034   3.011
   55   1HG1  VAL  23          1HG1      VAL  23   0.124   0.190   4.124
   56   2HG1  VAL  23          2HG1      VAL  23  -0.986   1.271   4.966
   57   3HG1  VAL  23          3HG1      VAL  23   0.203   1.929   3.842
   58   1HG2  VAL  23          1HG2      VAL  23  -2.049   2.909   3.583
   59   2HG2  VAL  23          2HG2      VAL  23  -3.395   1.808   3.295
   60   3HG2  VAL  23          3HG2      VAL  23  -2.550   2.543   1.933
   61    H    ALA  24           H        ALA  24  -0.920  -1.602   1.436
   62    HA   ALA  24           HA       ALA  24   1.753  -2.360   2.250
   63   1HB   ALA  24          1HB       ALA  24   1.001  -4.582   1.588
   64   2HB   ALA  24          2HB       ALA  24  -0.274  -3.892   0.583
   65   3HB   ALA  24          3HB       ALA  24  -0.360  -3.749   2.338
   66    H    ARG  25           H        ARG  25   0.142  -1.934  -0.881
   67    HA   ARG  25           HA       ARG  25   2.228  -2.777  -2.645
   68   1HB   ARG  25          1HB       ARG  25  -0.007  -0.727  -2.809
   69   2HB   ARG  25          2HB       ARG  25   0.977  -1.155  -4.198
   70   1HG   ARG  25          1HG       ARG  25   0.245  -3.463  -4.082
   71   2HG   ARG  25          2HG       ARG  25  -0.605  -3.157  -2.567
   72   1HD   ARG  25          1HD       ARG  25  -2.381  -2.153  -3.616
   73   2HD   ARG  25          2HD       ARG  25  -1.345  -1.385  -4.833
   74    HE   ARG  25           HE       ARG  25  -1.644  -4.332  -4.984
   75   1HH1  ARG  25          1HH1      ARG  25  -4.216  -3.053  -5.785
   76   2HH1  ARG  25          2HH1      ARG  25  -3.984  -2.774  -7.478
   77   1HH2  ARG  25          1HH2      ARG  25  -0.534  -3.161  -7.339
   78   2HH2  ARG  25          2HH2      ARG  25  -1.894  -2.835  -8.361
   79    H    LEU  26           H        LEU  26   1.376   0.409  -1.356
   80    HA   LEU  26           HA       LEU  26   3.565   1.851  -2.576
   81   1HB   LEU  26          1HB       LEU  26   1.654   2.440  -0.287
   82   2HB   LEU  26          2HB       LEU  26   2.659   3.650  -1.087
   83    HG   LEU  26           HG       LEU  26   0.838   1.889  -2.705
   84   1HD1  LEU  26          1HD1      LEU  26  -0.598   2.851  -0.982
   85   2HD1  LEU  26          2HD1      LEU  26  -0.897   3.658  -2.520
   86   3HD1  LEU  26          3HD1      LEU  26   0.075   4.452  -1.282
   87   1HD2  LEU  26          1HD2      LEU  26   0.964   3.699  -4.286
   88   2HD2  LEU  26          2HD2      LEU  26   2.608   3.380  -3.733
   89   3HD2  LEU  26          3HD2      LEU  26   1.717   4.760  -3.095
   90    H    LYS  27           H        LYS  27   3.178   0.125   0.481
   91    HA   LYS  27           HA       LYS  27   5.426   1.344   1.856
   92   1HB   LYS  27          1HB       LYS  27   3.585  -0.985   2.167
   93   2HB   LYS  27          2HB       LYS  27   5.102  -1.048   3.062
   94   1HG   LYS  27          1HG       LYS  27   3.682   1.548   3.184
   95   2HG   LYS  27          2HG       LYS  27   2.858   0.204   3.975
   96   1HD   LYS  27          1HD       LYS  27   5.792   0.694   4.457
   97   2HD   LYS  27          2HD       LYS  27   4.573   1.588   5.364
   98   1HE   LYS  27          1HE       LYS  27   4.188  -1.367   5.198
   99   2HE   LYS  27          2HE       LYS  27   5.515  -0.788   6.222
  100   1HZ   LYS  27          1HZ       LYS  27   2.724   0.237   6.313
  101   2HZ   LYS  27          2HZ       LYS  27   4.005   0.719   7.320
  102   3HZ   LYS  27          3HZ       LYS  27   3.387  -0.859   7.423
  103    H    LYS  28           H        LYS  28   5.125  -1.166  -0.561
  104    HA   LYS  28           HA       LYS  28   7.760  -2.359  -0.020
  105   1HB   LYS  28          1HB       LYS  28   5.419  -3.228  -1.119
  106   2HB   LYS  28          2HB       LYS  28   6.333  -2.838  -2.577
  107   1HG   LYS  28          1HG       LYS  28   8.042  -4.376  -2.067
  108   2HG   LYS  28          2HG       LYS  28   7.583  -4.462  -0.367
  109   1HD   LYS  28          1HD       LYS  28   6.589  -6.413  -1.043
  110   2HD   LYS  28          2HD       LYS  28   5.279  -5.319  -1.483
  111   1HE   LYS  28          1HE       LYS  28   5.528  -6.394  -3.521
  112   2HE   LYS  28          2HE       LYS  28   6.765  -5.141  -3.741
  113   1HZ   LYS  28          1HZ       LYS  28   8.403  -6.638  -2.772
  114   2HZ   LYS  28          2HZ       LYS  28   7.687  -7.347  -4.139
  115   3HZ   LYS  28          3HZ       LYS  28   7.224  -7.844  -2.582
  116    H    LEU  29           H        LEU  29   6.265  -0.307  -2.523
  117    HA   LEU  29           HA       LEU  29   8.813   0.060  -3.941
  118   1HB   LEU  29          1HB       LEU  29   7.432   1.396  -5.451
  119   2HB   LEU  29          2HB       LEU  29   6.573  -0.085  -5.041
  120    HG   LEU  29           HG       LEU  29   5.640   1.495  -3.068
  121   1HD1  LEU  29          1HD1      LEU  29   6.547   3.579  -3.488
  122   2HD1  LEU  29          2HD1      LEU  29   5.103   3.692  -4.492
  123   3HD1  LEU  29          3HD1      LEU  29   6.657   3.298  -5.226
  124   1HD2  LEU  29          1HD2      LEU  29   4.583   1.558  -5.912
  125   2HD2  LEU  29          2HD2      LEU  29   3.644   1.793  -4.439
  126   3HD2  LEU  29          3HD2      LEU  29   4.347   0.216  -4.794
  127    H    VAL  30           H        VAL  30   7.530   1.419  -1.127
  128    HA   VAL  30           HA       VAL  30   7.985   4.205  -1.358
  129    HB   VAL  30           HB       VAL  30   6.977   2.807   0.542
  130   1HG1  VAL  30          1HG1      VAL  30   8.415   1.910   2.216
  131   2HG1  VAL  30          2HG1      VAL  30   9.834   2.694   1.525
  132   3HG1  VAL  30          3HG1      VAL  30   9.076   1.343   0.684
  133   1HG2  VAL  30          1HG2      VAL  30   9.034   4.846   1.425
  134   2HG2  VAL  30          2HG2      VAL  30   7.488   4.477   2.190
  135   3HG2  VAL  30          3HG2      VAL  30   7.526   5.287   0.623
  136    H    GLY  31           H        GLY  31   9.853   5.504  -0.764
  137   1HA   GLY  31          1HA       GLY  31  12.354   4.567  -1.806
  138   2HA   GLY  31          2HA       GLY  31  12.129   6.060  -0.895
  139    H    GLU  32           H        GLU  32  13.997   3.484  -0.806
  140    HA   GLU  32           HA       GLU  32  13.652   2.482   1.911
  141   1HB   GLU  32          1HB       GLU  32  15.765   2.300  -0.246
  142   2HB   GLU  32          2HB       GLU  32  16.009   1.566   1.337
  143   1HG   GLU  32          1HG       GLU  32  14.921  -0.233   0.497
  144   2HG   GLU  32          2HG       GLU  32  13.454   0.733   0.668
  Start of MODEL   13
    1   1H    ASN  16          1H        ASN  16 -11.154   0.837   5.975
    2    HA   ASN  16           HA       ASN  16  -8.970   0.521   5.120
    3   1HB   ASN  16          1HB       ASN  16 -10.356  -2.116   5.252
    4   2HB   ASN  16          2HB       ASN  16  -8.857  -2.075   4.327
    5   1HD2  ASN  16          1HD2      ASN  16  -7.440  -3.105   5.823
    6   2HD2  ASN  16          2HD2      ASN  16  -7.125  -2.501   7.377
    7    H    TYR  17           H        TYR  17 -11.263  -1.262   2.960
    8    HA   TYR  17           HA       TYR  17 -11.510  -1.132   0.603
    9   1HB   TYR  17          1HB       TYR  17 -12.030   1.161   1.039
   10   2HB   TYR  17          2HB       TYR  17 -10.386   1.542   1.496
   11    HD1  TYR  17           HD1      TYR  17 -11.881  -0.025  -1.608
   12    HD2  TYR  17           HD2      TYR  17  -9.516   3.126   0.090
   13    HE1  TYR  17           HE1      TYR  17 -11.436   0.878  -3.859
   14    HE2  TYR  17           HE2      TYR  17  -9.057   4.015  -2.153
   15    HH   TYR  17           HH       TYR  17 -10.750   3.651  -4.606
   16    H    HIS  18           H        HIS  18 -10.054  -0.954  -1.486
   17    HA   HIS  18           HA       HIS  18  -7.728  -2.500  -1.261
   18   1HB   HIS  18          1HB       HIS  18  -7.571  -2.140  -3.519
   19   2HB   HIS  18          2HB       HIS  18  -9.175  -1.450  -3.291
   20    HD2  HIS  18           HD2      HIS  18  -5.691   0.321  -2.535
   21    HE1  HIS  18           HE1      HIS  18  -8.003   2.832  -5.005
   22    HE2  HIS  18           HE2      HIS  18  -5.821   2.583  -3.798
   23    H    LEU  19           H        LEU  19  -8.257   0.858  -0.601
   24    HA   LEU  19           HA       LEU  19  -5.795   2.120  -0.628
   25   1HB   LEU  19          1HB       LEU  19  -8.300   2.293   0.608
   26   2HB   LEU  19          2HB       LEU  19  -7.171   2.253   1.939
   27    HG   LEU  19           HG       LEU  19  -6.070   4.226   1.210
   28   1HD1  LEU  19          1HD1      LEU  19  -5.657   4.121  -1.049
   29   2HD1  LEU  19          2HD1      LEU  19  -7.075   5.168  -1.112
   30   3HD1  LEU  19          3HD1      LEU  19  -7.241   3.437  -1.411
   31   1HD2  LEU  19          1HD2      LEU  19  -8.654   4.279   1.909
   32   2HD2  LEU  19          2HD2      LEU  19  -8.814   4.945   0.284
   33   3HD2  LEU  19          3HD2      LEU  19  -7.783   5.748   1.469
   34    H    GLU  20           H        GLU  20  -7.106  -0.164   1.688
   35    HA   GLU  20           HA       GLU  20  -4.948  -0.378   3.523
   36   1HB   GLU  20          1HB       GLU  20  -6.531  -1.753   4.426
   37   2HB   GLU  20          2HB       GLU  20  -7.528  -1.336   3.046
   38   1HG   GLU  20          1HG       GLU  20  -7.543  -3.698   3.132
   39   2HG   GLU  20          2HG       GLU  20  -6.428  -3.297   1.835
   40    H    ASN  21           H        ASN  21  -5.770  -2.184   0.579
   41    HA   ASN  21           HA       ASN  21  -3.355  -3.843   0.620
   42   1HB   ASN  21          1HB       ASN  21  -4.875  -4.862  -0.751
   43   2HB   ASN  21          2HB       ASN  21  -5.742  -3.357  -1.039
   44   1HD2  ASN  21          1HD2      ASN  21  -5.314  -2.234  -3.002
   45   2HD2  ASN  21          2HD2      ASN  21  -4.194  -2.771  -4.158
   46    H    GLU  22           H        GLU  22  -4.304  -0.755  -0.779
   47    HA   GLU  22           HA       GLU  22  -2.115  -0.200  -2.520
   48   1HB   GLU  22          1HB       GLU  22  -4.441   1.045  -1.417
   49   2HB   GLU  22          2HB       GLU  22  -3.096   2.129  -1.091
   50   1HG   GLU  22          1HG       GLU  22  -3.929   1.039  -3.770
   51   2HG   GLU  22          2HG       GLU  22  -4.097   2.694  -3.199
   52    H    VAL  23           H        VAL  23  -2.708   0.654   0.874
   53    HA   VAL  23           HA       VAL  23  -0.340   2.068   1.416
   54    HB   VAL  23           HB       VAL  23  -1.963   0.177   3.154
   55   1HG1  VAL  23          1HG1      VAL  23   0.138   0.554   4.261
   56   2HG1  VAL  23          2HG1      VAL  23  -1.039   1.626   5.021
   57   3HG1  VAL  23          3HG1      VAL  23   0.112   2.269   3.851
   58   1HG2  VAL  23          1HG2      VAL  23  -2.637   2.619   1.940
   59   2HG2  VAL  23          2HG2      VAL  23  -2.256   3.040   3.609
   60   3HG2  VAL  23          3HG2      VAL  23  -3.498   1.836   3.265
   61    H    ALA  24           H        ALA  24  -0.931  -1.446   1.473
   62    HA   ALA  24           HA       ALA  24   1.736  -2.204   2.322
   63   1HB   ALA  24          1HB       ALA  24   0.988  -4.425   1.668
   64   2HB   ALA  24          2HB       ALA  24  -0.272  -3.742   0.641
   65   3HB   ALA  24          3HB       ALA  24  -0.386  -3.591   2.394
   66    H    ARG  25           H        ARG  25   0.132  -1.765  -0.813
   67    HA   ARG  25           HA       ARG  25   2.217  -2.598  -2.579
   68   1HB   ARG  25          1HB       ARG  25  -0.024  -0.556  -2.705
   69   2HB   ARG  25          2HB       ARG  25   0.988  -0.901  -4.099
   70   1HG   ARG  25          1HG       ARG  25   0.323  -3.254  -4.036
   71   2HG   ARG  25          2HG       ARG  25  -0.629  -2.964  -2.582
   72   1HD   ARG  25          1HD       ARG  25  -2.296  -1.824  -3.732
   73   2HD   ARG  25          2HD       ARG  25  -1.188  -1.288  -5.011
   74    HE   ARG  25           HE       ARG  25  -2.202  -4.093  -4.739
   75   1HH1  ARG  25          1HH1      ARG  25  -3.342  -2.510  -6.936
   76   2HH1  ARG  25          2HH1      ARG  25  -2.299  -2.872  -8.271
   77   1HH2  ARG  25          1HH2      ARG  25   0.253  -4.130  -6.275
   78   2HH2  ARG  25          2HH2      ARG  25  -0.258  -3.793  -7.896
   79    H    LEU  26           H        LEU  26   1.401   0.573  -1.235
   80    HA   LEU  26           HA       LEU  26   3.552   2.078  -2.402
   81   1HB   LEU  26          1HB       LEU  26   1.494   2.333  -0.240
   82   2HB   LEU  26          2HB       LEU  26   2.800   3.511  -0.256
   83    HG   LEU  26           HG       LEU  26   2.009   4.547  -2.129
   84   1HD1  LEU  26          1HD1      LEU  26   1.122   1.817  -3.115
   85   2HD1  LEU  26          2HD1      LEU  26   2.507   2.749  -3.683
   86   3HD1  LEU  26          3HD1      LEU  26   0.871   3.316  -4.009
   87   1HD2  LEU  26          1HD2      LEU  26  -0.491   2.930  -1.610
   88   2HD2  LEU  26          2HD2      LEU  26  -0.376   4.593  -2.184
   89   3HD2  LEU  26          3HD2      LEU  26   0.057   4.203  -0.520
   90    H    LYS  27           H        LYS  27   3.202   0.355   0.704
   91    HA   LYS  27           HA       LYS  27   5.655   1.301   1.896
   92   1HB   LYS  27          1HB       LYS  27   3.555   0.153   2.901
   93   2HB   LYS  27          2HB       LYS  27   4.322  -1.360   2.417
   94   1HG   LYS  27          1HG       LYS  27   5.175  -1.143   4.560
   95   2HG   LYS  27          2HG       LYS  27   6.423  -0.295   3.646
   96   1HD   LYS  27          1HD       LYS  27   5.636   1.822   4.284
   97   2HD   LYS  27          2HD       LYS  27   4.036   1.208   4.699
   98   1HE   LYS  27          1HE       LYS  27   6.327   0.081   6.246
   99   2HE   LYS  27          2HE       LYS  27   5.871   1.760   6.593
  100   1HZ   LYS  27          1HZ       LYS  27   3.579   1.068   6.846
  101   2HZ   LYS  27          2HZ       LYS  27   4.562   0.178   7.907
  102   3HZ   LYS  27          3HZ       LYS  27   3.984  -0.537   6.479
  103    H    LYS  28           H        LYS  28   5.046  -1.012  -0.616
  104    HA   LYS  28           HA       LYS  28   7.557  -2.506  -0.173
  105   1HB   LYS  28          1HB       LYS  28   5.050  -3.038  -1.265
  106   2HB   LYS  28          2HB       LYS  28   6.099  -2.924  -2.678
  107   1HG   LYS  28          1HG       LYS  28   6.418  -5.151  -2.143
  108   2HG   LYS  28          2HG       LYS  28   7.701  -4.426  -1.173
  109   1HD   LYS  28          1HD       LYS  28   6.695  -5.676   0.476
  110   2HD   LYS  28          2HD       LYS  28   5.700  -4.226   0.603
  111   1HE   LYS  28          1HE       LYS  28   4.579  -5.840  -1.475
  112   2HE   LYS  28          2HE       LYS  28   4.851  -6.883  -0.065
  113   1HZ   LYS  28          1HZ       LYS  28   3.784  -5.237   1.335
  114   2HZ   LYS  28          2HZ       LYS  28   2.726  -5.704   0.089
  115   3HZ   LYS  28          3HZ       LYS  28   3.539  -4.215   0.004
  116    H    LEU  29           H        LEU  29   6.156  -0.244  -2.542
  117    HA   LEU  29           HA       LEU  29   8.607  -0.168  -4.151
  118   1HB   LEU  29          1HB       LEU  29   7.322   1.373  -5.518
  119   2HB   LEU  29          2HB       LEU  29   6.262   0.056  -5.026
  120    HG   LEU  29           HG       LEU  29   5.755   1.718  -2.994
  121   1HD1  LEU  29          1HD1      LEU  29   5.573   4.010  -4.481
  122   2HD1  LEU  29          2HD1      LEU  29   7.106   3.354  -5.053
  123   3HD1  LEU  29          3HD1      LEU  29   6.872   3.677  -3.336
  124   1HD2  LEU  29          1HD2      LEU  29   3.853   1.151  -4.144
  125   2HD2  LEU  29          2HD2      LEU  29   4.611   1.390  -5.717
  126   3HD2  LEU  29          3HD2      LEU  29   4.033   2.778  -4.797
  127    H    VAL  30           H        VAL  30   7.446   1.524  -1.341
  128    HA   VAL  30           HA       VAL  30   8.903   4.011  -1.793
  129    HB   VAL  30           HB       VAL  30   6.876   3.594  -0.298
  130   1HG1  VAL  30          1HG1      VAL  30   7.133   2.581   1.815
  131   2HG1  VAL  30          2HG1      VAL  30   8.891   2.698   1.759
  132   3HG1  VAL  30          3HG1      VAL  30   8.053   1.524   0.745
  133   1HG2  VAL  30          1HG2      VAL  30   8.416   5.620  -0.214
  134   2HG2  VAL  30          2HG2      VAL  30   9.225   4.843   1.147
  135   3HG2  VAL  30          3HG2      VAL  30   7.522   5.288   1.270
  136    H    GLY  31           H        GLY  31  10.882   4.653  -0.753
  137   1HA   GLY  31          1HA       GLY  31  12.476   2.508   0.556
  138   2HA   GLY  31          2HA       GLY  31  13.158   3.317  -0.855
  139    H    GLU  32           H        GLU  32  11.393   4.432   2.060
  140    HA   GLU  32           HA       GLU  32  11.905   6.110   3.623
  141   1HB   GLU  32          1HB       GLU  32  13.991   4.508   3.555
  142   2HB   GLU  32          2HB       GLU  32  14.784   5.871   2.766
  143   1HG   GLU  32          1HG       GLU  32  13.235   6.332   5.300
  144   2HG   GLU  32          2HG       GLU  32  14.863   5.662   5.389
  Start of MODEL   14
    1   1H    ASN  16          1H        ASN  16 -11.813  -0.542   4.984
    2    HA   ASN  16           HA       ASN  16  -8.967   0.417   5.124
    3   1HB   ASN  16          1HB       ASN  16 -10.275  -2.277   5.147
    4   2HB   ASN  16          2HB       ASN  16  -8.716  -2.138   4.335
    5   1HD2  ASN  16          1HD2      ASN  16 -10.319  -2.029   7.473
    6   2HD2  ASN  16          2HD2      ASN  16  -8.900  -1.919   8.399
    7    H    TYR  17           H        TYR  17 -11.209  -1.397   2.935
    8    HA   TYR  17           HA       TYR  17 -11.454  -1.242   0.579
    9   1HB   TYR  17          1HB       TYR  17 -12.025   1.034   1.040
   10   2HB   TYR  17          2HB       TYR  17 -10.393   1.447   1.508
   11    HD1  TYR  17           HD1      TYR  17  -9.551   3.065   0.125
   12    HD2  TYR  17           HD2      TYR  17 -11.838  -0.118  -1.620
   13    HE1  TYR  17           HE1      TYR  17  -9.112   3.997  -2.105
   14    HE2  TYR  17           HE2      TYR  17 -11.395   0.816  -3.859
   15    HH   TYR  17           HH       TYR  17 -10.767   3.637  -4.560
   16    H    HIS  18           H        HIS  18  -9.995  -1.006  -1.504
   17    HA   HIS  18           HA       HIS  18  -7.638  -2.503  -1.287
   18   1HB   HIS  18          1HB       HIS  18  -7.481  -2.115  -3.540
   19   2HB   HIS  18          2HB       HIS  18  -9.101  -1.462  -3.311
   20    HD2  HIS  18           HD2      HIS  18  -5.658   0.375  -2.522
   21    HE1  HIS  18           HE1      HIS  18  -8.016   2.862  -4.974
   22    HE2  HIS  18           HE2      HIS  18  -5.834   2.648  -3.760
   23    H    LEU  19           H        LEU  19  -8.241   0.836  -0.594
   24    HA   LEU  19           HA       LEU  19  -5.806   2.150  -0.594
   25   1HB   LEU  19          1HB       LEU  19  -8.320   2.250   0.637
   26   2HB   LEU  19          2HB       LEU  19  -7.192   2.224   1.969
   27    HG   LEU  19           HG       LEU  19  -6.140   4.231   1.266
   28   1HD1  LEU  19          1HD1      LEU  19  -5.715   4.151  -0.994
   29   2HD1  LEU  19          2HD1      LEU  19  -7.149   5.176  -1.049
   30   3HD1  LEU  19          3HD1      LEU  19  -7.287   3.447  -1.369
   31   1HD2  LEU  19          1HD2      LEU  19  -8.727   4.215   1.955
   32   2HD2  LEU  19          2HD2      LEU  19  -8.899   4.887   0.334
   33   3HD2  LEU  19          3HD2      LEU  19  -7.895   5.709   1.527
   34    H    GLU  20           H        GLU  20  -7.073  -0.193   1.683
   35    HA   GLU  20           HA       GLU  20  -4.915  -0.382   3.522
   36   1HB   GLU  20          1HB       GLU  20  -6.476  -1.789   4.413
   37   2HB   GLU  20          2HB       GLU  20  -7.478  -1.378   3.037
   38   1HG   GLU  20          1HG       GLU  20  -7.459  -3.737   3.093
   39   2HG   GLU  20          2HG       GLU  20  -6.333  -3.313   1.813
   40    H    ASN  21           H        ASN  21  -5.699  -2.180   0.559
   41    HA   ASN  21           HA       ASN  21  -3.258  -3.800   0.599
   42   1HB   ASN  21          1HB       ASN  21  -5.300  -4.497  -0.565
   43   2HB   ASN  21          2HB       ASN  21  -5.260  -3.046  -1.564
   44   1HD2  ASN  21          1HD2      ASN  21  -4.127  -3.198  -3.515
   45   2HD2  ASN  21          2HD2      ASN  21  -3.070  -4.463  -3.916
   46    H    GLU  22           H        GLU  22  -4.254  -0.707  -0.750
   47    HA   GLU  22           HA       GLU  22  -2.088  -0.106  -2.510
   48   1HB   GLU  22          1HB       GLU  22  -4.426   1.094  -1.388
   49   2HB   GLU  22          2HB       GLU  22  -3.095   2.191  -1.044
   50   1HG   GLU  22          1HG       GLU  22  -3.902   1.126  -3.742
   51   2HG   GLU  22          2HG       GLU  22  -4.115   2.768  -3.146
   52    H    VAL  23           H        VAL  23  -2.672   0.706   0.896
   53    HA   VAL  23           HA       VAL  23  -0.312   2.139   1.435
   54    HB   VAL  23           HB       VAL  23  -1.912   0.223   3.168
   55   1HG1  VAL  23          1HG1      VAL  23   0.181   0.604   4.279
   56   2HG1  VAL  23          2HG1      VAL  23  -0.992   1.680   5.039
   57   3HG1  VAL  23          3HG1      VAL  23   0.160   2.318   3.864
   58   1HG2  VAL  23          1HG2      VAL  23  -3.460   1.869   3.296
   59   2HG2  VAL  23          2HG2      VAL  23  -2.610   2.669   1.975
   60   3HG2  VAL  23          3HG2      VAL  23  -2.227   3.079   3.646
   61    H    ALA  24           H        ALA  24  -0.882  -1.375   1.456
   62    HA   ALA  24           HA       ALA  24   1.795  -2.128   2.285
   63   1HB   ALA  24          1HB       ALA  24  -0.204  -3.676   0.601
   64   2HB   ALA  24          2HB       ALA  24  -0.340  -3.514   2.352
   65   3HB   ALA  24          3HB       ALA  24   1.047  -4.346   1.648
   66    H    ARG  25           H        ARG  25   0.171  -1.626  -0.829
   67    HA   ARG  25           HA       ARG  25   2.248  -2.461  -2.617
   68   1HB   ARG  25          1HB       ARG  25  -0.023  -0.457  -2.711
   69   2HB   ARG  25          2HB       ARG  25   1.004  -0.736  -4.109
   70   1HG   ARG  25          1HG       ARG  25   0.415  -3.138  -4.053
   71   2HG   ARG  25          2HG       ARG  25  -0.630  -2.840  -2.665
   72   1HD   ARG  25          1HD       ARG  25  -2.273  -1.874  -3.942
   73   2HD   ARG  25          2HD       ARG  25  -1.105  -1.103  -5.034
   74    HE   ARG  25           HE       ARG  25  -1.175  -4.034  -5.217
   75   1HH1  ARG  25          1HH1      ARG  25  -3.918  -3.237  -5.963
   76   2HH1  ARG  25          2HH1      ARG  25  -3.773  -2.874  -7.651
   77   1HH2  ARG  25          1HH2      ARG  25  -0.308  -2.605  -7.567
   78   2HH2  ARG  25          2HH2      ARG  25  -1.725  -2.515  -8.561
   79    H    LEU  26           H        LEU  26   1.422   0.694  -1.242
   80    HA   LEU  26           HA       LEU  26   3.535   2.232  -2.422
   81   1HB   LEU  26          1HB       LEU  26   1.511   2.431  -0.227
   82   2HB   LEU  26          2HB       LEU  26   2.812   3.614  -0.224
   83    HG   LEU  26           HG       LEU  26   1.993   4.702  -2.053
   84   1HD1  LEU  26          1HD1      LEU  26   0.850   3.505  -3.962
   85   2HD1  LEU  26          2HD1      LEU  26   1.165   1.987  -3.123
   86   3HD1  LEU  26          3HD1      LEU  26   2.509   2.984  -3.676
   87   1HD2  LEU  26          1HD2      LEU  26  -0.393   4.717  -2.103
   88   2HD2  LEU  26          2HD2      LEU  26   0.049   4.279  -0.453
   89   3HD2  LEU  26          3HD2      LEU  26  -0.483   3.034  -1.581
   90    H    LYS  27           H        LYS  27   3.251   0.554   0.725
   91    HA   LYS  27           HA       LYS  27   5.829   1.455   1.726
   92   1HB   LYS  27          1HB       LYS  27   3.659   0.535   2.897
   93   2HB   LYS  27          2HB       LYS  27   4.397  -1.041   2.609
   94   1HG   LYS  27          1HG       LYS  27   6.347  -0.458   3.882
   95   2HG   LYS  27          2HG       LYS  27   5.859   1.236   3.967
   96   1HD   LYS  27          1HD       LYS  27   4.045  -0.897   5.066
   97   2HD   LYS  27          2HD       LYS  27   5.410  -0.326   6.025
   98   1HE   LYS  27          1HE       LYS  27   4.409   1.681   6.459
   99   2HE   LYS  27          2HE       LYS  27   3.809   1.838   4.797
  100   1HZ   LYS  27          1HZ       LYS  27   2.705   0.002   6.861
  101   2HZ   LYS  27          2HZ       LYS  27   2.135   0.164   5.267
  102   3HZ   LYS  27          3HZ       LYS  27   1.988   1.456   6.361
  103    H    LYS  28           H        LYS  28   4.896  -0.970  -0.551
  104    HA   LYS  28           HA       LYS  28   7.246  -2.696  -0.091
  105   1HB   LYS  28          1HB       LYS  28   4.967  -3.536  -0.716
  106   2HB   LYS  28          2HB       LYS  28   5.121  -2.700  -2.260
  107   1HG   LYS  28          1HG       LYS  28   7.249  -4.025  -2.648
  108   2HG   LYS  28          2HG       LYS  28   6.828  -4.978  -1.225
  109   1HD   LYS  28          1HD       LYS  28   5.912  -6.233  -2.992
  110   2HD   LYS  28          2HD       LYS  28   4.531  -5.308  -2.402
  111   1HE   LYS  28          1HE       LYS  28   4.951  -3.596  -4.173
  112   2HE   LYS  28          2HE       LYS  28   6.263  -4.611  -4.802
  113   1HZ   LYS  28          1HZ       LYS  28   4.699  -6.434  -5.049
  114   2HZ   LYS  28          2HZ       LYS  28   4.163  -5.085  -5.929
  115   3HZ   LYS  28          3HZ       LYS  28   3.439  -5.474  -4.442
  116    H    LEU  29           H        LEU  29   5.997  -0.520  -2.636
  117    HA   LEU  29           HA       LEU  29   8.332  -0.754  -4.333
  118   1HB   LEU  29          1HB       LEU  29   7.208   0.874  -5.655
  119   2HB   LEU  29          2HB       LEU  29   5.914  -0.037  -4.884
  120    HG   LEU  29           HG       LEU  29   6.244   1.872  -3.013
  121   1HD1  LEU  29          1HD1      LEU  29   7.358   2.956  -5.582
  122   2HD1  LEU  29          2HD1      LEU  29   7.890   3.249  -3.926
  123   3HD1  LEU  29          3HD1      LEU  29   6.430   4.028  -4.534
  124   1HD2  LEU  29          1HD2      LEU  29   4.371   3.072  -4.124
  125   2HD2  LEU  29          2HD2      LEU  29   4.137   1.324  -4.150
  126   3HD2  LEU  29          3HD2      LEU  29   4.685   2.163  -5.601
  127    H    VAL  30           H        VAL  30   7.571   1.180  -1.512
  128    HA   VAL  30           HA       VAL  30   9.762   3.107  -2.025
  129    HB   VAL  30           HB       VAL  30   7.690   2.694   0.147
  130   1HG1  VAL  30          1HG1      VAL  30   9.567   3.582   1.328
  131   2HG1  VAL  30          2HG1      VAL  30   8.537   4.968   0.969
  132   3HG1  VAL  30          3HG1      VAL  30   9.979   4.668   0.000
  133   1HG2  VAL  30          1HG2      VAL  30   6.882   4.893  -0.703
  134   2HG2  VAL  30          2HG2      VAL  30   6.869   3.651  -1.955
  135   3HG2  VAL  30          3HG2      VAL  30   8.151   4.860  -1.929
  136    H    GLY  31           H        GLY  31   8.918   0.720   0.505
  137   1HA   GLY  31          1HA       GLY  31  10.309  -0.672   1.792
  138   2HA   GLY  31          2HA       GLY  31  11.637  -0.254   0.708
  139    H    GLU  32           H        GLU  32  13.203   1.052   1.517
  140    HA   GLU  32           HA       GLU  32  14.362   2.488   2.971
  141   1HB   GLU  32          1HB       GLU  32  12.206   3.787   2.119
  142   2HB   GLU  32          2HB       GLU  32  11.727   3.661   3.811
  143   1HG   GLU  32          1HG       GLU  32  14.468   4.658   3.035
  144   2HG   GLU  32          2HG       GLU  32  13.084   5.749   3.103
  Start of MODEL   15
    1   1H    ASN  16          1H        ASN  16 -11.842  -0.619   5.034
    2    HA   ASN  16           HA       ASN  16  -8.989   0.325   5.134
    3   1HB   ASN  16          1HB       ASN  16 -10.327  -2.355   5.167
    4   2HB   ASN  16          2HB       ASN  16  -8.776  -2.234   4.338
    5   1HD2  ASN  16          1HD2      ASN  16 -10.355  -1.764   7.509
    6   2HD2  ASN  16          2HD2      ASN  16  -8.920  -1.818   8.413
    7    H    TYR  17           H        TYR  17 -11.239  -1.498   2.958
    8    HA   TYR  17           HA       TYR  17 -11.503  -1.338   0.604
    9   1HB   TYR  17          1HB       TYR  17 -12.103   0.925   1.078
   10   2HB   TYR  17          2HB       TYR  17 -10.475   1.360   1.538
   11    HD1  TYR  17           HD1      TYR  17  -9.677   3.004   0.162
   12    HD2  TYR  17           HD2      TYR  17 -11.908  -0.214  -1.589
   13    HE1  TYR  17           HE1      TYR  17  -9.268   3.957  -2.065
   14    HE2  TYR  17           HE2      TYR  17 -11.496   0.740  -3.826
   15    HH   TYR  17           HH       TYR  17 -10.949   3.545  -4.532
   16    H    HIS  18           H        HIS  18 -10.064  -1.079  -1.488
   17    HA   HIS  18           HA       HIS  18  -7.687  -2.548  -1.307
   18   1HB   HIS  18          1HB       HIS  18  -7.555  -2.130  -3.557
   19   2HB   HIS  18          2HB       HIS  18  -9.180  -1.499  -3.305
   20    HD2  HIS  18           HD2      HIS  18  -5.751   0.364  -2.524
   21    HE1  HIS  18           HE1      HIS  18  -8.151   2.858  -4.930
   22    HE2  HIS  18           HE2      HIS  18  -5.957   2.653  -3.730
   23    H    LEU  19           H        LEU  19  -8.317   0.787  -0.606
   24    HA   LEU  19           HA       LEU  19  -5.898   2.126  -0.600
   25   1HB   LEU  19          1HB       LEU  19  -8.413   2.197   0.622
   26   2HB   LEU  19          2HB       LEU  19  -7.291   2.175   1.960
   27    HG   LEU  19           HG       LEU  19  -6.235   4.188   1.245
   28   1HD1  LEU  19          1HD1      LEU  19  -7.417   3.399  -1.364
   29   2HD1  LEU  19          2HD1      LEU  19  -5.873   4.178  -1.021
   30   3HD1  LEU  19          3HD1      LEU  19  -7.357   5.131  -1.040
   31   1HD2  LEU  19          1HD2      LEU  19  -8.783   4.163   2.028
   32   2HD2  LEU  19          2HD2      LEU  19  -9.039   4.813   0.408
   33   3HD2  LEU  19          3HD2      LEU  19  -7.994   5.665   1.545
   34    H    GLU  20           H        GLU  20  -7.140  -0.230   1.677
   35    HA   GLU  20           HA       GLU  20  -4.988  -0.387   3.524
   36   1HB   GLU  20          1HB       GLU  20  -6.542  -1.800   4.412
   37   2HB   GLU  20          2HB       GLU  20  -7.534  -1.429   3.019
   38   1HG   GLU  20          1HG       GLU  20  -7.466  -3.789   3.117
   39   2HG   GLU  20          2HG       GLU  20  -6.345  -3.356   1.835
   40    H    ASN  21           H        ASN  21  -5.737  -2.214   0.569
   41    HA   ASN  21           HA       ASN  21  -3.269  -3.795   0.629
   42   1HB   ASN  21          1HB       ASN  21  -5.534  -4.208  -0.585
   43   2HB   ASN  21          2HB       ASN  21  -4.922  -3.095  -1.809
   44   1HD2  ASN  21          1HD2      ASN  21  -4.387  -6.277  -0.312
   45   2HD2  ASN  21          2HD2      ASN  21  -3.314  -6.843  -1.500
   46    H    GLU  22           H        GLU  22  -4.312  -0.748  -0.792
   47    HA   GLU  22           HA       GLU  22  -2.131  -0.127  -2.513
   48   1HB   GLU  22          1HB       GLU  22  -4.525   1.016  -1.502
   49   2HB   GLU  22          2HB       GLU  22  -3.258   2.144  -1.055
   50   1HG   GLU  22          1HG       GLU  22  -4.383   1.518  -3.686
   51   2HG   GLU  22          2HG       GLU  22  -3.610   2.987  -3.110
   52    H    VAL  23           H        VAL  23  -2.765   0.724   0.883
   53    HA   VAL  23           HA       VAL  23  -0.435   2.202   1.461
   54    HB   VAL  23           HB       VAL  23  -2.067   0.249   3.119
   55   1HG1  VAL  23          1HG1      VAL  23   0.029   0.484   4.264
   56   2HG1  VAL  23          2HG1      VAL  23  -1.107   1.564   5.072
   57   3HG1  VAL  23          3HG1      VAL  23   0.082   2.217   3.943
   58   1HG2  VAL  23          1HG2      VAL  23  -2.219   3.132   3.666
   59   2HG2  VAL  23          2HG2      VAL  23  -3.521   1.968   3.417
   60   3HG2  VAL  23          3HG2      VAL  23  -2.727   2.713   2.030
   61    H    ALA  24           H        ALA  24  -0.918  -1.333   1.509
   62    HA   ALA  24           HA       ALA  24   1.783  -2.000   2.323
   63   1HB   ALA  24          1HB       ALA  24   1.098  -4.246   1.697
   64   2HB   ALA  24          2HB       ALA  24  -0.191  -3.613   0.673
   65   3HB   ALA  24          3HB       ALA  24  -0.297  -3.449   2.426
   66    H    ARG  25           H        ARG  25   0.138  -1.601  -0.795
   67    HA   ARG  25           HA       ARG  25   2.245  -2.395  -2.563
   68   1HB   ARG  25          1HB       ARG  25  -0.067  -0.435  -2.738
   69   2HB   ARG  25          2HB       ARG  25   0.935  -0.832  -4.127
   70   1HG   ARG  25          1HG       ARG  25   0.287  -3.146  -4.034
   71   2HG   ARG  25          2HG       ARG  25  -0.504  -2.919  -2.475
   72   1HD   ARG  25          1HD       ARG  25  -2.361  -1.909  -3.409
   73   2HD   ARG  25          2HD       ARG  25  -1.435  -1.219  -4.755
   74    HE   ARG  25           HE       ARG  25  -2.301  -4.070  -4.567
   75   1HH1  ARG  25          1HH1      ARG  25  -3.389  -2.298  -6.705
   76   2HH1  ARG  25          2HH1      ARG  25  -2.372  -2.673  -8.055
   77   1HH2  ARG  25          1HH2      ARG  25   0.090  -4.180  -6.120
   78   2HH2  ARG  25          2HH2      ARG  25  -0.396  -3.741  -7.723
   79    H    LEU  26           H        LEU  26   1.342   0.751  -1.206
   80    HA   LEU  26           HA       LEU  26   3.433   2.303  -2.453
   81   1HB   LEU  26          1HB       LEU  26   1.315   2.547  -0.371
   82   2HB   LEU  26          2HB       LEU  26   2.629   3.710  -0.258
   83    HG   LEU  26           HG       LEU  26   1.916   4.856  -2.082
   84   1HD1  LEU  26          1HD1      LEU  26   0.947   3.643  -4.128
   85   2HD1  LEU  26          2HD1      LEU  26   1.412   2.145  -3.324
   86   3HD1  LEU  26          3HD1      LEU  26   2.642   3.330  -3.760
   87   1HD2  LEU  26          1HD2      LEU  26  -0.441   3.088  -1.437
   88   2HD2  LEU  26          2HD2      LEU  26  -0.547   4.354  -2.660
   89   3HD2  LEU  26          3HD2      LEU  26  -0.179   4.774  -0.988
   90    H    LYS  27           H        LYS  27   3.191   0.523   0.614
   91    HA   LYS  27           HA       LYS  27   5.698   1.595   1.691
   92   1HB   LYS  27          1HB       LYS  27   3.676  -0.513   2.430
   93   2HB   LYS  27          2HB       LYS  27   5.204  -0.415   3.303
   94   1HG   LYS  27          1HG       LYS  27   3.634   2.104   2.887
   95   2HG   LYS  27          2HG       LYS  27   3.094   0.967   4.123
   96   1HD   LYS  27          1HD       LYS  27   4.582   2.089   5.441
   97   2HD   LYS  27          2HD       LYS  27   5.763   1.041   4.657
   98   1HE   LYS  27          1HE       LYS  27   6.369   2.741   3.076
   99   2HE   LYS  27          2HE       LYS  27   4.978   3.747   3.527
  100   1HZ   LYS  27          1HZ       LYS  27   7.178   2.948   5.364
  101   2HZ   LYS  27          2HZ       LYS  27   5.858   3.943   5.758
  102   3HZ   LYS  27          3HZ       LYS  27   7.023   4.474   4.641
  103    H    LYS  28           H        LYS  28   4.925  -0.823  -0.620
  104    HA   LYS  28           HA       LYS  28   7.298  -2.499  -0.058
  105   1HB   LYS  28          1HB       LYS  28   4.760  -2.702  -1.448
  106   2HB   LYS  28          2HB       LYS  28   6.078  -3.183  -2.516
  107   1HG   LYS  28          1HG       LYS  28   5.703  -5.198  -1.451
  108   2HG   LYS  28          2HG       LYS  28   6.882  -4.499  -0.340
  109   1HD   LYS  28          1HD       LYS  28   4.905  -3.529   0.947
  110   2HD   LYS  28          2HD       LYS  28   3.871  -4.559  -0.043
  111   1HE   LYS  28          1HE       LYS  28   4.331  -6.330   1.288
  112   2HE   LYS  28          2HE       LYS  28   6.068  -6.130   0.983
  113   1HZ   LYS  28          1HZ       LYS  28   4.468  -4.557   2.936
  114   2HZ   LYS  28          2HZ       LYS  28   6.131  -4.371   2.636
  115   3HZ   LYS  28          3HZ       LYS  28   5.546  -5.805   3.332
  116    H    LEU  29           H        LEU  29   6.087  -0.258  -2.541
  117    HA   LEU  29           HA       LEU  29   8.457  -0.451  -4.219
  118   1HB   LEU  29          1HB       LEU  29   7.317   1.185  -5.539
  119   2HB   LEU  29          2HB       LEU  29   6.050   0.176  -4.847
  120    HG   LEU  29           HG       LEU  29   6.154   2.006  -2.907
  121   1HD1  LEU  29          1HD1      LEU  29   7.638   3.177  -5.176
  122   2HD1  LEU  29          2HD1      LEU  29   7.636   3.640  -3.474
  123   3HD1  LEU  29          3HD1      LEU  29   6.349   4.202  -4.541
  124   1HD2  LEU  29          1HD2      LEU  29   4.134   1.528  -4.128
  125   2HD2  LEU  29          2HD2      LEU  29   4.783   2.256  -5.597
  126   3HD2  LEU  29          3HD2      LEU  29   4.383   3.271  -4.212
  127    H    VAL  30           H        VAL  30   7.719   1.281  -1.309
  128    HA   VAL  30           HA       VAL  30   9.295   3.643  -1.670
  129    HB   VAL  30           HB       VAL  30   7.582   3.008   0.138
  130   1HG1  VAL  30          1HG1      VAL  30   8.281   1.786   2.032
  131   2HG1  VAL  30          2HG1      VAL  30   9.986   1.928   1.607
  132   3HG1  VAL  30          3HG1      VAL  30   8.932   0.862   0.680
  133   1HG2  VAL  30          1HG2      VAL  30   8.946   5.078   0.189
  134   2HG2  VAL  30          2HG2      VAL  30  10.229   4.200   1.023
  135   3HG2  VAL  30          3HG2      VAL  30   8.670   4.443   1.811
  136    H    GLY  31           H        GLY  31  10.227   0.325  -0.920
  137   1HA   GLY  31          1HA       GLY  31  12.502  -0.432  -1.379
  138   2HA   GLY  31          2HA       GLY  31  13.081   1.186  -0.984
  139    H    GLU  32           H        GLU  32  13.333  -1.779   0.159
  140    HA   GLU  32           HA       GLU  32  12.583  -1.380   2.976
  141   1HB   GLU  32          1HB       GLU  32  12.430  -3.565   1.840
  142   2HB   GLU  32          2HB       GLU  32  14.164  -3.530   1.523
  143   1HG   GLU  32          1HG       GLU  32  13.730  -4.917   3.487
  144   2HG   GLU  32          2HG       GLU  32  14.579  -3.454   3.983
  Start of MODEL   16
    1   1H    ASN  16          1H        ASN  16 -11.213   0.552   6.030
    2    HA   ASN  16           HA       ASN  16  -9.018   0.449   5.129
    3   1HB   ASN  16          1HB       ASN  16 -10.301  -2.255   5.080
    4   2HB   ASN  16          2HB       ASN  16  -8.731  -2.090   4.297
    5   1HD2  ASN  16          1HD2      ASN  16  -7.138  -0.635   5.822
    6   2HD2  ASN  16          2HD2      ASN  16  -7.111  -1.131   7.445
    7    H    TYR  17           H        TYR  17 -11.263  -1.274   2.873
    8    HA   TYR  17           HA       TYR  17 -11.477  -1.057   0.519
    9   1HB   TYR  17          1HB       TYR  17 -11.968   1.225   1.041
   10   2HB   TYR  17          2HB       TYR  17 -10.320   1.566   1.513
   11    HD1  TYR  17           HD1      TYR  17 -11.833   0.129  -1.641
   12    HD2  TYR  17           HD2      TYR  17  -9.420   3.184   0.164
   13    HE1  TYR  17           HE1      TYR  17 -11.375   1.103  -3.860
   14    HE2  TYR  17           HE2      TYR  17  -8.945   4.142  -2.047
   15    HH   TYR  17           HH       TYR  17 -10.670   3.848  -4.537
   16    H    HIS  18           H        HIS  18 -10.002  -0.826  -1.549
   17    HA   HIS  18           HA       HIS  18  -7.701  -2.414  -1.367
   18   1HB   HIS  18          1HB       HIS  18  -7.519  -1.968  -3.610
   19   2HB   HIS  18          2HB       HIS  18  -9.119  -1.272  -3.367
   20    HD2  HIS  18           HD2      HIS  18  -5.622   0.429  -2.520
   21    HE1  HIS  18           HE1      HIS  18  -7.889   3.067  -4.900
   22    HE2  HIS  18           HE2      HIS  18  -5.721   2.748  -3.680
   23    H    LEU  19           H        LEU  19  -8.185   0.923  -0.593
   24    HA   LEU  19           HA       LEU  19  -5.704   2.146  -0.556
   25   1HB   LEU  19          1HB       LEU  19  -8.219   2.318   0.660
   26   2HB   LEU  19          2HB       LEU  19  -7.102   2.221   1.999
   27    HG   LEU  19           HG       LEU  19  -5.944   4.185   1.308
   28   1HD1  LEU  19          1HD1      LEU  19  -7.033   5.207  -0.967
   29   2HD1  LEU  19          2HD1      LEU  19  -7.146   3.482  -1.309
   30   3HD1  LEU  19          3HD1      LEU  19  -5.580   4.208  -0.950
   31   1HD2  LEU  19          1HD2      LEU  19  -8.684   5.009   0.472
   32   2HD2  LEU  19          2HD2      LEU  19  -7.615   5.727   1.677
   33   3HD2  LEU  19          3HD2      LEU  19  -8.519   4.262   2.061
   34    H    GLU  20           H        GLU  20  -7.073  -0.199   1.663
   35    HA   GLU  20           HA       GLU  20  -4.950  -0.504   3.523
   36   1HB   GLU  20          1HB       GLU  20  -6.556  -1.903   4.348
   37   2HB   GLU  20          2HB       GLU  20  -7.529  -1.421   2.974
   38   1HG   GLU  20          1HG       GLU  20  -7.551  -3.797   2.994
   39   2HG   GLU  20          2HG       GLU  20  -6.464  -3.338   1.693
   40    H    ASN  21           H        ASN  21  -5.742  -2.200   0.503
   41    HA   ASN  21           HA       ASN  21  -3.340  -3.883   0.524
   42   1HB   ASN  21          1HB       ASN  21  -5.236  -3.001  -1.689
   43   2HB   ASN  21          2HB       ASN  21  -4.047  -4.292  -1.846
   44   1HD2  ASN  21          1HD2      ASN  21  -4.286  -6.075  -0.029
   45   2HD2  ASN  21          2HD2      ASN  21  -5.877  -6.513   0.370
   46    H    GLU  22           H        GLU  22  -4.243  -0.744  -0.780
   47    HA   GLU  22           HA       GLU  22  -2.012  -0.154  -2.454
   48   1HB   GLU  22          1HB       GLU  22  -4.389   1.029  -1.483
   49   2HB   GLU  22          2HB       GLU  22  -3.111   2.100  -0.936
   50   1HG   GLU  22          1HG       GLU  22  -4.181   1.676  -3.613
   51   2HG   GLU  22          2HG       GLU  22  -3.284   3.039  -2.964
   52    H    VAL  23           H        VAL  23  -2.658   0.594   0.964
   53    HA   VAL  23           HA       VAL  23  -0.286   1.971   1.620
   54    HB   VAL  23           HB       VAL  23  -1.961  -0.012   3.204
   55   1HG1  VAL  23          1HG1      VAL  23   0.224   1.896   4.060
   56   2HG1  VAL  23          2HG1      VAL  23   0.094   0.170   4.396
   57   3HG1  VAL  23          3HG1      VAL  23  -1.002   1.307   5.183
   58   1HG2  VAL  23          1HG2      VAL  23  -2.627   2.472   2.176
   59   2HG2  VAL  23          2HG2      VAL  23  -2.100   2.865   3.812
   60   3HG2  VAL  23          3HG2      VAL  23  -3.406   1.708   3.561
   61    H    ALA  24           H        ALA  24  -0.887  -1.543   1.494
   62    HA   ALA  24           HA       ALA  24   1.788  -2.332   2.306
   63   1HB   ALA  24          1HB       ALA  24   1.017  -4.518   1.698
   64   2HB   ALA  24          2HB       ALA  24  -0.135  -3.864   0.535
   65   3HB   ALA  24          3HB       ALA  24  -0.421  -3.669   2.264
   66    H    ARG  25           H        ARG  25   0.194  -1.661  -0.784
   67    HA   ARG  25           HA       ARG  25   2.298  -2.486  -2.566
   68   1HB   ARG  25          1HB       ARG  25   0.018  -0.484  -2.721
   69   2HB   ARG  25          2HB       ARG  25   1.015  -0.898  -4.111
   70   1HG   ARG  25          1HG       ARG  25   0.267  -3.146  -4.119
   71   2HG   ARG  25          2HG       ARG  25  -0.377  -3.025  -2.484
   72   1HD   ARG  25          1HD       ARG  25  -2.242  -1.753  -3.183
   73   2HD   ARG  25          2HD       ARG  25  -1.477  -1.314  -4.721
   74    HE   ARG  25           HE       ARG  25  -1.959  -4.199  -4.217
   75   1HH1  ARG  25          1HH1      ARG  25  -4.564  -2.794  -4.675
   76   2HH1  ARG  25          2HH1      ARG  25  -4.726  -2.875  -6.398
   77   1HH2  ARG  25          1HH2      ARG  25  -1.380  -3.640  -6.941
   78   2HH2  ARG  25          2HH2      ARG  25  -2.918  -3.355  -7.683
   79    H    LEU  26           H        LEU  26   1.397   0.666  -1.198
   80    HA   LEU  26           HA       LEU  26   3.516   2.219  -2.365
   81   1HB   LEU  26          1HB       LEU  26   1.423   2.423  -0.258
   82   2HB   LEU  26          2HB       LEU  26   2.769   3.542  -0.092
   83    HG   LEU  26           HG       LEU  26   2.025   4.826  -1.794
   84   1HD1  LEU  26          1HD1      LEU  26   1.166   3.786  -3.973
   85   2HD1  LEU  26          2HD1      LEU  26   1.630   2.227  -3.290
   86   3HD1  LEU  26          3HD1      LEU  26   2.852   3.470  -3.567
   87   1HD2  LEU  26          1HD2      LEU  26  -0.291   2.974  -1.302
   88   2HD2  LEU  26          2HD2      LEU  26  -0.414   4.236  -2.528
   89   3HD2  LEU  26          3HD2      LEU  26  -0.108   4.668  -0.845
   90    H    LYS  27           H        LYS  27   3.187   0.634   0.831
   91    HA   LYS  27           HA       LYS  27   5.706   1.532   1.894
   92   1HB   LYS  27          1HB       LYS  27   3.658   0.576   3.078
   93   2HB   LYS  27          2HB       LYS  27   4.207  -1.017   2.554
   94   1HG   LYS  27          1HG       LYS  27   6.424  -0.521   3.658
   95   2HG   LYS  27          2HG       LYS  27   5.695   0.938   4.329
   96   1HD   LYS  27          1HD       LYS  27   4.337  -0.237   5.777
   97   2HD   LYS  27          2HD       LYS  27   4.229  -1.637   4.707
   98   1HE   LYS  27          1HE       LYS  27   6.547  -2.268   5.262
   99   2HE   LYS  27          2HE       LYS  27   6.688  -0.847   6.315
  100   1HZ   LYS  27          1HZ       LYS  27   4.663  -3.008   6.594
  101   2HZ   LYS  27          2HZ       LYS  27   4.798  -1.641   7.594
  102   3HZ   LYS  27          3HZ       LYS  27   6.030  -2.811   7.579
  103    H    LYS  28           H        LYS  28   4.944  -0.937  -0.441
  104    HA   LYS  28           HA       LYS  28   7.440  -2.446   0.024
  105   1HB   LYS  28          1HB       LYS  28   5.084  -3.320  -0.659
  106   2HB   LYS  28          2HB       LYS  28   5.514  -2.760  -2.275
  107   1HG   LYS  28          1HG       LYS  28   7.619  -4.126  -2.115
  108   2HG   LYS  28          2HG       LYS  28   7.018  -4.784  -0.594
  109   1HD   LYS  28          1HD       LYS  28   4.935  -5.507  -1.850
  110   2HD   LYS  28          2HD       LYS  28   5.773  -5.067  -3.339
  111   1HE   LYS  28          1HE       LYS  28   7.632  -6.634  -2.698
  112   2HE   LYS  28          2HE       LYS  28   6.649  -7.159  -1.317
  113   1HZ   LYS  28          1HZ       LYS  28   4.862  -7.731  -2.826
  114   2HZ   LYS  28          2HZ       LYS  28   6.275  -8.563  -3.271
  115   3HZ   LYS  28          3HZ       LYS  28   5.771  -7.205  -4.158
  116    H    LEU  29           H        LEU  29   6.007  -0.356  -2.488
  117    HA   LEU  29           HA       LEU  29   8.413  -0.433  -4.152
  118   1HB   LEU  29          1HB       LEU  29   7.105   0.844  -5.650
  119   2HB   LEU  29          2HB       LEU  29   5.915  -0.140  -4.805
  120    HG   LEU  29           HG       LEU  29   5.918   1.976  -3.154
  121   1HD1  LEU  29          1HD1      LEU  29   5.928   3.996  -4.817
  122   2HD1  LEU  29          2HD1      LEU  29   6.946   2.956  -5.812
  123   3HD1  LEU  29          3HD1      LEU  29   7.468   3.410  -4.190
  124   1HD2  LEU  29          1HD2      LEU  29   4.432   1.413  -5.703
  125   2HD2  LEU  29          2HD2      LEU  29   4.093   2.905  -4.825
  126   3HD2  LEU  29          3HD2      LEU  29   3.854   1.345  -4.038
  127    H    VAL  30           H        VAL  30   7.241   1.565  -1.519
  128    HA   VAL  30           HA       VAL  30   9.252   3.689  -2.112
  129    HB   VAL  30           HB       VAL  30   7.026   3.423  -0.061
  130   1HG1  VAL  30          1HG1      VAL  30   8.678   4.852   0.907
  131   2HG1  VAL  30          2HG1      VAL  30   7.468   5.926   0.208
  132   3HG1  VAL  30          3HG1      VAL  30   8.993   5.651  -0.634
  133   1HG2  VAL  30          1HG2      VAL  30   6.128   3.724  -2.283
  134   2HG2  VAL  30          2HG2      VAL  30   7.306   4.983  -2.646
  135   3HG2  VAL  30          3HG2      VAL  30   6.031   5.283  -1.466
  136    H    GLY  31           H        GLY  31   8.249   1.633   0.637
  137   1HA   GLY  31          1HA       GLY  31  10.911   2.035   1.887
  138   2HA   GLY  31          2HA       GLY  31   9.501   1.327   2.677
  139    H    GLU  32           H        GLU  32   9.586  -0.842   2.932
  140    HA   GLU  32           HA       GLU  32  11.286  -2.434   1.036
  141   1HB   GLU  32          1HB       GLU  32  11.950  -2.017   3.526
  142   2HB   GLU  32          2HB       GLU  32  10.671  -3.172   3.897
  143   1HG   GLU  32          1HG       GLU  32  12.685  -3.894   1.798
  144   2HG   GLU  32          2HG       GLU  32  13.159  -3.996   3.493
  Start of MODEL   17
    1   1H    ASN  16          1H        ASN  16 -11.860   0.758   6.564
    2    HA   ASN  16           HA       ASN  16 -10.024   0.466   5.029
    3   1HB   ASN  16          1HB       ASN  16 -11.353  -1.961   6.020
    4   2HB   ASN  16          2HB       ASN  16 -10.413  -2.263   4.559
    5   1HD2  ASN  16          1HD2      ASN  16 -10.042  -0.487   7.695
    6   2HD2  ASN  16          2HD2      ASN  16  -8.409  -0.904   7.896
    7    H    TYR  17           H        TYR  17  -9.457  -0.862   2.928
    8    HA   TYR  17           HA       TYR  17 -11.383  -1.291   0.842
    9   1HB   TYR  17          1HB       TYR  17 -12.017   0.981   1.038
   10   2HB   TYR  17          2HB       TYR  17 -10.417   1.483   1.540
   11    HD1  TYR  17           HD1      TYR  17  -9.482   3.004   0.118
   12    HD2  TYR  17           HD2      TYR  17 -11.838  -0.161  -1.567
   13    HE1  TYR  17           HE1      TYR  17  -9.042   3.900  -2.126
   14    HE2  TYR  17           HE2      TYR  17 -11.391   0.735  -3.821
   15    HH   TYR  17           HH       TYR  17 -10.724   3.537  -4.562
   16    H    HIS  18           H        HIS  18  -9.993  -1.056  -1.418
   17    HA   HIS  18           HA       HIS  18  -7.631  -2.547  -1.232
   18   1HB   HIS  18          1HB       HIS  18  -7.499  -2.165  -3.481
   19   2HB   HIS  18          2HB       HIS  18  -9.105  -1.487  -3.240
   20    HD2  HIS  18           HD2      HIS  18  -5.645   0.319  -2.453
   21    HE1  HIS  18           HE1      HIS  18  -7.966   2.812  -4.931
   22    HE2  HIS  18           HE2      HIS  18  -5.796   2.587  -3.705
   23    H    LEU  19           H        LEU  19  -8.216   0.796  -0.546
   24    HA   LEU  19           HA       LEU  19  -5.799   2.129  -0.541
   25   1HB   LEU  19          1HB       LEU  19  -8.305   2.173   0.717
   26   2HB   LEU  19          2HB       LEU  19  -7.164   2.141   2.038
   27    HG   LEU  19           HG       LEU  19  -6.173   4.186   1.387
   28   1HD1  LEU  19          1HD1      LEU  19  -7.132   5.150  -0.927
   29   2HD1  LEU  19          2HD1      LEU  19  -7.269   3.428  -1.283
   30   3HD1  LEU  19          3HD1      LEU  19  -5.701   4.123  -0.869
   31   1HD2  LEU  19          1HD2      LEU  19  -8.906   4.828   0.397
   32   2HD2  LEU  19          2HD2      LEU  19  -7.964   5.601   1.671
   33   3HD2  LEU  19          3HD2      LEU  19  -8.796   4.078   1.989
   34    H    GLU  20           H        GLU  20  -7.029  -0.247   1.717
   35    HA   GLU  20           HA       GLU  20  -4.866  -0.461   3.539
   36   1HB   GLU  20          1HB       GLU  20  -6.258  -2.136   4.354
   37   2HB   GLU  20          2HB       GLU  20  -7.395  -1.337   3.282
   38   1HG   GLU  20          1HG       GLU  20  -7.093  -2.983   1.582
   39   2HG   GLU  20          2HG       GLU  20  -5.709  -3.690   2.414
   40    H    ASN  21           H        ASN  21  -5.659  -2.243   0.568
   41    HA   ASN  21           HA       ASN  21  -3.209  -3.847   0.569
   42   1HB   ASN  21          1HB       ASN  21  -5.497  -4.202  -0.629
   43   2HB   ASN  21          2HB       ASN  21  -4.874  -3.081  -1.841
   44   1HD2  ASN  21          1HD2      ASN  21  -4.612  -6.348  -0.586
   45   2HD2  ASN  21          2HD2      ASN  21  -3.465  -6.893  -1.711
   46    H    GLU  22           H        GLU  22  -4.228  -0.749  -0.761
   47    HA   GLU  22           HA       GLU  22  -2.063  -0.116  -2.501
   48   1HB   GLU  22          1HB       GLU  22  -4.387   1.084  -1.330
   49   2HB   GLU  22          2HB       GLU  22  -3.041   2.173  -1.019
   50   1HG   GLU  22          1HG       GLU  22  -3.898   1.102  -3.700
   51   2HG   GLU  22          2HG       GLU  22  -4.124   2.740  -3.099
   52    H    VAL  23           H        VAL  23  -2.643   0.678   0.911
   53    HA   VAL  23           HA       VAL  23  -0.292   2.097   1.470
   54    HB   VAL  23           HB       VAL  23  -1.859   0.130   3.176
   55   1HG1  VAL  23          1HG1      VAL  23  -0.942   1.545   5.070
   56   2HG1  VAL  23          2HG1      VAL  23   0.179   2.249   3.905
   57   3HG1  VAL  23          3HG1      VAL  23   0.249   0.523   4.266
   58   1HG2  VAL  23          1HG2      VAL  23  -2.587   2.597   2.033
   59   2HG2  VAL  23          2HG2      VAL  23  -2.209   2.971   3.714
   60   3HG2  VAL  23          3HG2      VAL  23  -3.428   1.754   3.334
   61    H    ALA  24           H        ALA  24  -0.812  -1.429   1.440
   62    HA   ALA  24           HA       ALA  24   1.890  -2.140   2.233
   63   1HB   ALA  24          1HB       ALA  24  -0.298  -3.526   2.239
   64   2HB   ALA  24          2HB       ALA  24   1.163  -4.353   1.698
   65   3HB   ALA  24          3HB       ALA  24  -0.004  -3.763   0.516
   66    H    ARG  25           H        ARG  25   0.214  -1.679  -0.860
   67    HA   ARG  25           HA       ARG  25   2.281  -2.442  -2.684
   68   1HB   ARG  25          1HB       ARG  25  -0.006  -0.447  -2.743
   69   2HB   ARG  25          2HB       ARG  25   0.979  -0.775  -4.161
   70   1HG   ARG  25          1HG       ARG  25   0.336  -3.121  -4.126
   71   2HG   ARG  25          2HG       ARG  25  -0.530  -2.894  -2.608
   72   1HD   ARG  25          1HD       ARG  25  -2.257  -1.666  -3.626
   73   2HD   ARG  25          2HD       ARG  25  -1.257  -1.246  -5.030
   74    HE   ARG  25           HE       ARG  25  -2.489  -3.910  -4.530
   75   1HH1  ARG  25          1HH1      ARG  25  -3.116  -2.350  -6.993
   76   2HH1  ARG  25          2HH1      ARG  25  -2.071  -3.074  -8.170
   77   1HH2  ARG  25          1HH2      ARG  25  -0.036  -4.608  -5.807
   78   2HH2  ARG  25          2HH2      ARG  25  -0.324  -4.356  -7.497
   79    H    LEU  26           H        LEU  26   1.415   0.677  -1.261
   80    HA   LEU  26           HA       LEU  26   3.510   2.227  -2.499
   81   1HB   LEU  26          1HB       LEU  26   1.746   2.651  -0.060
   82   2HB   LEU  26          2HB       LEU  26   2.650   3.923  -0.882
   83    HG   LEU  26           HG       LEU  26   0.771   2.183  -2.451
   84   1HD1  LEU  26          1HD1      LEU  26   0.012   3.874  -0.256
   85   2HD1  LEU  26          2HD1      LEU  26  -1.021   2.938  -1.335
   86   3HD1  LEU  26          3HD1      LEU  26  -0.565   4.586  -1.763
   87   1HD2  LEU  26          1HD2      LEU  26   2.318   3.760  -3.591
   88   2HD2  LEU  26          2HD2      LEU  26   1.601   5.092  -2.685
   89   3HD2  LEU  26          3HD2      LEU  26   0.627   4.190  -3.846
   90    H    LYS  27           H        LYS  27   3.249   0.454   0.567
   91    HA   LYS  27           HA       LYS  27   5.701   1.570   1.705
   92   1HB   LYS  27          1HB       LYS  27   3.625   0.593   2.877
   93   2HB   LYS  27          2HB       LYS  27   4.281  -0.992   2.466
   94   1HG   LYS  27          1HG       LYS  27   6.298   0.769   3.641
   95   2HG   LYS  27          2HG       LYS  27   4.929   0.509   4.722
   96   1HD   LYS  27          1HD       LYS  27   6.070  -1.863   3.297
   97   2HD   LYS  27          2HD       LYS  27   6.971  -1.199   4.660
   98   1HE   LYS  27          1HE       LYS  27   4.947  -1.396   6.088
   99   2HE   LYS  27          2HE       LYS  27   4.069  -2.110   4.721
  100   1HZ   LYS  27          1HZ       LYS  27   6.600  -3.160   5.879
  101   2HZ   LYS  27          2HZ       LYS  27   5.746  -3.838   4.575
  102   3HZ   LYS  27          3HZ       LYS  27   5.060  -3.826   6.129
  103    H    LYS  28           H        LYS  28   5.027  -0.859  -0.647
  104    HA   LYS  28           HA       LYS  28   7.467  -2.437  -0.106
  105   1HB   LYS  28          1HB       LYS  28   4.937  -2.829  -1.323
  106   2HB   LYS  28          2HB       LYS  28   6.130  -2.992  -2.609
  107   1HG   LYS  28          1HG       LYS  28   6.335  -5.125  -1.847
  108   2HG   LYS  28          2HG       LYS  28   7.336  -4.395  -0.592
  109   1HD   LYS  28          1HD       LYS  28   5.865  -5.338   0.857
  110   2HD   LYS  28          2HD       LYS  28   4.803  -4.003   0.408
  111   1HE   LYS  28          1HE       LYS  28   4.707  -6.212  -1.528
  112   2HE   LYS  28          2HE       LYS  28   4.185  -6.690   0.099
  113   1HZ   LYS  28          1HZ       LYS  28   2.353  -5.712  -1.163
  114   2HZ   LYS  28          2HZ       LYS  28   3.245  -4.282  -1.374
  115   3HZ   LYS  28          3HZ       LYS  28   2.746  -4.754   0.180
  116    H    LEU  29           H        LEU  29   6.162  -0.303  -2.651
  117    HA   LEU  29           HA       LEU  29   8.543  -0.369  -4.297
  118   1HB   LEU  29          1HB       LEU  29   7.391   1.362  -5.542
  119   2HB   LEU  29          2HB       LEU  29   6.184   0.200  -5.001
  120    HG   LEU  29           HG       LEU  29   6.053   1.853  -2.911
  121   1HD1  LEU  29          1HD1      LEU  29   6.160   4.169  -4.464
  122   2HD1  LEU  29          2HD1      LEU  29   7.626   3.295  -4.906
  123   3HD1  LEU  29          3HD1      LEU  29   7.318   3.703  -3.219
  124   1HD2  LEU  29          1HD2      LEU  29   4.790   2.338  -5.628
  125   2HD2  LEU  29          2HD2      LEU  29   4.206   3.035  -4.117
  126   3HD2  LEU  29          3HD2      LEU  29   4.165   1.289  -4.356
  127    H    VAL  30           H        VAL  30   7.642   1.435  -1.435
  128    HA   VAL  30           HA       VAL  30   9.788   3.449  -1.879
  129    HB   VAL  30           HB       VAL  30   7.386   3.881  -1.014
  130   1HG1  VAL  30          1HG1      VAL  30   7.606   1.942   0.669
  131   2HG1  VAL  30          2HG1      VAL  30   6.905   3.444   1.269
  132   3HG1  VAL  30          3HG1      VAL  30   8.585   3.048   1.632
  133   1HG2  VAL  30          1HG2      VAL  30   8.151   5.692   0.408
  134   2HG2  VAL  30          2HG2      VAL  30   9.312   5.494  -0.904
  135   3HG2  VAL  30          3HG2      VAL  30   9.683   4.868   0.703
  136    H    GLY  31           H        GLY  31  11.521   3.697  -0.319
  137   1HA   GLY  31          1HA       GLY  31  11.871   1.663   1.775
  138   2HA   GLY  31          2HA       GLY  31  13.015   1.547   0.437
  139    H    GLU  32           H        GLU  32  14.705   3.019   0.326
  140    HA   GLU  32           HA       GLU  32  14.882   5.000   2.575
  141   1HB   GLU  32          1HB       GLU  32  16.826   3.213   1.132
  142   2HB   GLU  32          2HB       GLU  32  17.416   4.667   1.936
  143   1HG   GLU  32          1HG       GLU  32  16.723   3.923   4.062
  144   2HG   GLU  32          2HG       GLU  32  15.612   2.733   3.383
  Start of MODEL   18
    1   1H    ASN  16          1H        ASN  16 -11.772  -0.356   5.064
    2    HA   ASN  16           HA       ASN  16  -8.916   0.577   5.166
    3   1HB   ASN  16          1HB       ASN  16 -10.238  -2.125   5.181
    4   2HB   ASN  16          2HB       ASN  16  -8.632  -1.972   4.470
    5   1HD2  ASN  16          1HD2      ASN  16  -7.048  -0.612   6.004
    6   2HD2  ASN  16          2HD2      ASN  16  -7.124  -1.017   7.650
    7    H    TYR  17           H        TYR  17 -11.209  -1.245   3.037
    8    HA   TYR  17           HA       TYR  17 -11.476  -1.133   0.682
    9   1HB   TYR  17          1HB       TYR  17 -11.997   1.160   1.101
   10   2HB   TYR  17          2HB       TYR  17 -10.353   1.549   1.547
   11    HD1  TYR  17           HD1      TYR  17 -11.859  -0.041  -1.541
   12    HD2  TYR  17           HD2      TYR  17  -9.497   3.127   0.129
   13    HE1  TYR  17           HE1      TYR  17 -11.434   0.854  -3.797
   14    HE2  TYR  17           HE2      TYR  17  -9.055   4.008  -2.121
   15    HH   TYR  17           HH       TYR  17 -10.748   3.649  -4.549
   16    H    HIS  18           H        HIS  18 -10.043  -0.972  -1.421
   17    HA   HIS  18           HA       HIS  18  -7.712  -2.511  -1.206
   18   1HB   HIS  18          1HB       HIS  18  -7.584  -2.175  -3.470
   19   2HB   HIS  18          2HB       HIS  18  -9.187  -1.486  -3.230
   20    HD2  HIS  18           HD2      HIS  18  -5.699   0.302  -2.533
   21    HE1  HIS  18           HE1      HIS  18  -8.045   2.777  -5.008
   22    HE2  HIS  18           HE2      HIS  18  -5.850   2.550  -3.821
   23    H    LEU  19           H        LEU  19  -8.241   0.849  -0.565
   24    HA   LEU  19           HA       LEU  19  -5.780   2.115  -0.629
   25   1HB   LEU  19          1HB       LEU  19  -8.273   2.289   0.636
   26   2HB   LEU  19          2HB       LEU  19  -7.125   2.265   1.952
   27    HG   LEU  19           HG       LEU  19  -6.051   4.241   1.199
   28   1HD1  LEU  19          1HD1      LEU  19  -5.645   4.107  -1.062
   29   2HD1  LEU  19          2HD1      LEU  19  -7.061   5.155  -1.127
   30   3HD1  LEU  19          3HD1      LEU  19  -7.233   3.423  -1.411
   31   1HD2  LEU  19          1HD2      LEU  19  -7.774   5.752   1.451
   32   2HD2  LEU  19          2HD2      LEU  19  -8.637   4.281   1.902
   33   3HD2  LEU  19          3HD2      LEU  19  -8.799   4.935   0.272
   34    H    GLU  20           H        GLU  20  -7.061  -0.157   1.714
   35    HA   GLU  20           HA       GLU  20  -4.880  -0.361   3.521
   36   1HB   GLU  20          1HB       GLU  20  -6.440  -1.748   4.451
   37   2HB   GLU  20          2HB       GLU  20  -7.463  -1.319   3.095
   38   1HG   GLU  20          1HG       GLU  20  -7.486  -3.680   3.161
   39   2HG   GLU  20          2HG       GLU  20  -6.388  -3.277   1.850
   40    H    ASN  21           H        ASN  21  -5.735  -2.182   0.595
   41    HA   ASN  21           HA       ASN  21  -3.322  -3.841   0.615
   42   1HB   ASN  21          1HB       ASN  21  -5.634  -4.154  -0.564
   43   2HB   ASN  21          2HB       ASN  21  -4.967  -3.100  -1.811
   44   1HD2  ASN  21          1HD2      ASN  21  -4.599  -6.276  -0.255
   45   2HD2  ASN  21          2HD2      ASN  21  -3.562  -6.922  -1.434
   46    H    GLU  22           H        GLU  22  -4.284  -0.760  -0.795
   47    HA   GLU  22           HA       GLU  22  -2.111  -0.215  -2.554
   48   1HB   GLU  22          1HB       GLU  22  -4.408   1.062  -1.402
   49   2HB   GLU  22          2HB       GLU  22  -3.039   2.134  -1.145
   50   1HG   GLU  22          1HG       GLU  22  -3.933   0.980  -3.777
   51   2HG   GLU  22          2HG       GLU  22  -4.146   2.640  -3.233
   52    H    VAL  23           H        VAL  23  -2.664   0.666   0.840
   53    HA   VAL  23           HA       VAL  23  -0.284   2.064   1.346
   54    HB   VAL  23           HB       VAL  23  -1.883   0.182   3.116
   55   1HG1  VAL  23          1HG1      VAL  23  -0.936   1.630   4.964
   56   2HG1  VAL  23          2HG1      VAL  23   0.187   2.293   3.776
   57   3HG1  VAL  23          3HG1      VAL  23   0.242   0.576   4.180
   58   1HG2  VAL  23          1HG2      VAL  23  -3.421   1.837   3.228
   59   2HG2  VAL  23          2HG2      VAL  23  -2.572   2.622   1.896
   60   3HG2  VAL  23          3HG2      VAL  23  -2.179   3.044   3.563
   61    H    ALA  24           H        ALA  24  -0.875  -1.452   1.421
   62    HA   ALA  24           HA       ALA  24   1.817  -2.191   2.230
   63   1HB   ALA  24          1HB       ALA  24  -0.212  -3.775   0.619
   64   2HB   ALA  24          2HB       ALA  24  -0.321  -3.568   2.367
   65   3HB   ALA  24          3HB       ALA  24   1.053  -4.421   1.663
   66    H    ARG  25           H        ARG  25   0.149  -1.719  -0.859
   67    HA   ARG  25           HA       ARG  25   2.193  -2.617  -2.664
   68   1HB   ARG  25          1HB       ARG  25  -0.054  -0.578  -2.797
   69   2HB   ARG  25          2HB       ARG  25   0.915  -0.995  -4.204
   70   1HG   ARG  25          1HG       ARG  25   0.192  -3.290  -4.116
   71   2HG   ARG  25          2HG       ARG  25  -0.577  -3.045  -2.551
   72   1HD   ARG  25          1HD       ARG  25  -2.381  -1.887  -3.461
   73   2HD   ARG  25          2HD       ARG  25  -1.449  -1.343  -4.870
   74    HE   ARG  25           HE       ARG  25  -2.357  -4.172  -4.478
   75   1HH1  ARG  25          1HH1      ARG  25  -3.960  -2.651  -6.391
   76   2HH1  ARG  25          2HH1      ARG  25  -3.160  -2.926  -7.903
   77   1HH2  ARG  25          1HH2      ARG  25  -0.207  -4.033  -6.440
   78   2HH2  ARG  25          2HH2      ARG  25  -1.029  -3.711  -7.930
   79    H    LEU  26           H        LEU  26   1.371   0.575  -1.376
   80    HA   LEU  26           HA       LEU  26   3.514   2.032  -2.648
   81   1HB   LEU  26          1HB       LEU  26   1.741   2.600  -0.244
   82   2HB   LEU  26          2HB       LEU  26   2.671   3.813  -1.124
   83    HG   LEU  26           HG       LEU  26   0.763   2.038  -2.616
   84   1HD1  LEU  26          1HD1      LEU  26   0.038   3.857  -0.504
   85   2HD1  LEU  26          2HD1      LEU  26  -1.007   2.859  -1.513
   86   3HD1  LEU  26          3HD1      LEU  26  -0.548   4.475  -2.048
   87   1HD2  LEU  26          1HD2      LEU  26   2.299   3.507  -3.861
   88   2HD2  LEU  26          2HD2      LEU  26   1.701   4.902  -2.963
   89   3HD2  LEU  26          3HD2      LEU  26   0.629   4.036  -4.065
   90    H    LYS  27           H        LYS  27   3.185   0.359   0.460
   91    HA   LYS  27           HA       LYS  27   5.563   1.490   1.686
   92   1HB   LYS  27          1HB       LYS  27   3.598   0.443   2.852
   93   2HB   LYS  27          2HB       LYS  27   4.105  -1.122   2.216
   94   1HG   LYS  27          1HG       LYS  27   6.423  -0.039   3.366
   95   2HG   LYS  27          2HG       LYS  27   5.133   0.349   4.505
   96   1HD   LYS  27          1HD       LYS  27   5.821  -1.796   5.189
   97   2HD   LYS  27          2HD       LYS  27   4.408  -2.128   4.186
   98   1HE   LYS  27          1HE       LYS  27   5.924  -2.538   2.238
   99   2HE   LYS  27          2HE       LYS  27   7.316  -2.319   3.317
  100   1HZ   LYS  27          1HZ       LYS  27   5.118  -4.285   3.712
  101   2HZ   LYS  27          2HZ       LYS  27   6.452  -4.067   4.742
  102   3HZ   LYS  27          3HZ       LYS  27   6.679  -4.658   3.166
  103    H    LYS  28           H        LYS  28   4.933  -1.188  -0.507
  104    HA   LYS  28           HA       LYS  28   7.461  -2.569  -0.109
  105   1HB   LYS  28          1HB       LYS  28   5.081  -2.671  -1.884
  106   2HB   LYS  28          2HB       LYS  28   6.567  -3.327  -2.569
  107   1HG   LYS  28          1HG       LYS  28   6.645  -4.418  -0.072
  108   2HG   LYS  28          2HG       LYS  28   4.903  -4.350  -0.346
  109   1HD   LYS  28          1HD       LYS  28   5.692  -5.304  -2.748
  110   2HD   LYS  28          2HD       LYS  28   6.979  -5.963  -1.736
  111   1HE   LYS  28          1HE       LYS  28   5.361  -7.069  -0.291
  112   2HE   LYS  28          2HE       LYS  28   4.015  -6.295  -1.149
  113   1HZ   LYS  28          1HZ       LYS  28   6.036  -8.094  -2.384
  114   2HZ   LYS  28          2HZ       LYS  28   4.740  -7.352  -3.194
  115   3HZ   LYS  28          3HZ       LYS  28   4.440  -8.529  -2.007
  116    H    LEU  29           H        LEU  29   6.196  -0.379  -2.633
  117    HA   LEU  29           HA       LEU  29   8.782  -0.176  -3.980
  118   1HB   LEU  29          1HB       LEU  29   7.571   1.089  -5.551
  119   2HB   LEU  29          2HB       LEU  29   6.335   0.029  -4.884
  120    HG   LEU  29           HG       LEU  29   6.225   2.167  -3.156
  121   1HD1  LEU  29          1HD1      LEU  29   7.827   3.397  -4.648
  122   2HD1  LEU  29          2HD1      LEU  29   6.264   4.199  -4.494
  123   3HD1  LEU  29          3HD1      LEU  29   6.642   3.277  -5.948
  124   1HD2  LEU  29          1HD2      LEU  29   4.703   1.866  -5.765
  125   2HD2  LEU  29          2HD2      LEU  29   4.150   2.729  -4.330
  126   3HD2  LEU  29          3HD2      LEU  29   4.343   0.977  -4.285
  127    H    VAL  30           H        VAL  30   7.328   1.340  -1.251
  128    HA   VAL  30           HA       VAL  30   7.768   3.361  -0.093
  129    HB   VAL  30           HB       VAL  30   9.397   1.622   0.588
  130   1HG1  VAL  30          1HG1      VAL  30  11.039   2.830  -1.640
  131   2HG1  VAL  30          2HG1      VAL  30  10.646   1.135  -1.360
  132   3HG1  VAL  30          3HG1      VAL  30  11.789   1.961  -0.303
  133   1HG2  VAL  30          1HG2      VAL  30  10.772   4.315   0.496
  134   2HG2  VAL  30          2HG2      VAL  30  10.880   3.084   1.755
  135   3HG2  VAL  30          3HG2      VAL  30   9.384   3.991   1.534
  136    H    GLY  31           H        GLY  31   7.140   4.363  -2.460
  137   1HA   GLY  31          1HA       GLY  31   9.413   5.959  -3.511
  138   2HA   GLY  31          2HA       GLY  31   7.818   5.828  -4.254
  139    H    GLU  32           H        GLU  32   9.393   7.082  -1.298
  140    HA   GLU  32           HA       GLU  32   7.282   9.211  -1.177
  141   1HB   GLU  32          1HB       GLU  32   8.952   7.715   0.829
  142   2HB   GLU  32          2HB       GLU  32   8.321   9.307   1.247
  143   1HG   GLU  32          1HG       GLU  32   6.585   7.933   1.975
  144   2HG   GLU  32          2HG       GLU  32   6.049   8.325   0.341
  Start of MODEL   19
    1   1H    ASN  16          1H        ASN  16 -12.132   0.790   6.352
    2    HA   ASN  16           HA       ASN  16 -10.053   0.447   5.214
    3   1HB   ASN  16          1HB       ASN  16  -9.209  -1.829   5.097
    4   2HB   ASN  16          2HB       ASN  16  -9.978  -1.628   6.670
    5   1HD2  ASN  16          1HD2      ASN  16 -10.047  -3.461   3.719
    6   2HD2  ASN  16          2HD2      ASN  16 -11.428  -4.381   4.079
    7    H    TYR  17           H        TYR  17  -9.432  -0.990   3.090
    8    HA   TYR  17           HA       TYR  17 -11.463  -1.591   1.142
    9   1HB   TYR  17          1HB       TYR  17 -12.191   0.652   1.312
   10   2HB   TYR  17          2HB       TYR  17 -10.593   1.240   1.714
   11    HD1  TYR  17           HD1      TYR  17  -9.804   2.766   0.213
   12    HD2  TYR  17           HD2      TYR  17 -12.105  -0.533  -1.276
   13    HE1  TYR  17           HE1      TYR  17  -9.531   3.632  -2.069
   14    HE2  TYR  17           HE2      TYR  17 -11.826   0.332  -3.568
   15    HH   TYR  17           HH       TYR  17 -11.335   3.138  -4.399
   16    H    HIS  18           H        HIS  18 -10.211  -1.330  -1.212
   17    HA   HIS  18           HA       HIS  18  -7.784  -2.727  -1.127
   18   1HB   HIS  18          1HB       HIS  18  -7.794  -2.393  -3.393
   19   2HB   HIS  18          2HB       HIS  18  -9.415  -1.784  -3.071
   20    HD2  HIS  18           HD2      HIS  18  -6.006   0.200  -2.528
   21    HE1  HIS  18           HE1      HIS  18  -8.582   2.515  -4.926
   22    HE2  HIS  18           HE2      HIS  18  -6.342   2.428  -3.814
   23    H    LEU  19           H        LEU  19  -8.475   0.596  -0.473
   24    HA   LEU  19           HA       LEU  19  -6.117   2.029  -0.633
   25   1HB   LEU  19          1HB       LEU  19  -8.560   2.000   0.752
   26   2HB   LEU  19          2HB       LEU  19  -7.351   2.068   2.009
   27    HG   LEU  19           HG       LEU  19  -6.488   4.130   1.231
   28   1HD1  LEU  19          1HD1      LEU  19  -7.677   3.217  -1.340
   29   2HD1  LEU  19          2HD1      LEU  19  -6.154   4.053  -1.041
   30   3HD1  LEU  19          3HD1      LEU  19  -7.668   4.958  -1.052
   31   1HD2  LEU  19          1HD2      LEU  19  -9.064   3.930   1.997
   32   2HD2  LEU  19          2HD2      LEU  19  -9.300   4.626   0.394
   33   3HD2  LEU  19          3HD2      LEU  19  -8.318   5.475   1.588
   34    H    GLU  20           H        GLU  20  -7.141  -0.311   1.768
   35    HA   GLU  20           HA       GLU  20  -4.875  -0.375   3.474
   36   1HB   GLU  20          1HB       GLU  20  -6.312  -1.839   4.486
   37   2HB   GLU  20          2HB       GLU  20  -7.418  -1.475   3.178
   38   1HG   GLU  20          1HG       GLU  20  -7.313  -3.833   3.253
   39   2HG   GLU  20          2HG       GLU  20  -6.299  -3.380   1.891
   40    H    ASN  21           H        ASN  21  -5.737  -2.261   0.591
   41    HA   ASN  21           HA       ASN  21  -3.243  -3.802   0.546
   42   1HB   ASN  21          1HB       ASN  21  -5.372  -3.154  -1.530
   43   2HB   ASN  21          2HB       ASN  21  -4.066  -4.310  -1.796
   44   1HD2  ASN  21          1HD2      ASN  21  -4.002  -6.227  -0.268
   45   2HD2  ASN  21          2HD2      ASN  21  -5.456  -6.772   0.417
   46    H    GLU  22           H        GLU  22  -4.436  -0.827  -0.929
   47    HA   GLU  22           HA       GLU  22  -2.353  -0.157  -2.743
   48   1HB   GLU  22          1HB       GLU  22  -4.669   1.000  -1.447
   49   2HB   GLU  22          2HB       GLU  22  -3.353   2.162  -1.362
   50   1HG   GLU  22          1HG       GLU  22  -4.438   0.847  -3.839
   51   2HG   GLU  22          2HG       GLU  22  -4.639   2.527  -3.355
   52    H    VAL  23           H        VAL  23  -2.852   0.729   0.658
   53    HA   VAL  23           HA       VAL  23  -0.539   2.275   1.055
   54    HB   VAL  23           HB       VAL  23  -2.040   0.387   2.901
   55   1HG1  VAL  23          1HG1      VAL  23   0.096   0.828   3.925
   56   2HG1  VAL  23          2HG1      VAL  23  -1.084   1.873   4.715
   57   3HG1  VAL  23          3HG1      VAL  23   0.009   2.537   3.500
   58   1HG2  VAL  23          1HG2      VAL  23  -2.340   3.281   3.256
   59   2HG2  VAL  23          2HG2      VAL  23  -3.582   2.041   3.089
   60   3HG2  VAL  23          3HG2      VAL  23  -2.841   2.746   1.652
   61    H    ALA  24           H        ALA  24  -0.950  -1.257   1.268
   62    HA   ALA  24           HA       ALA  24   1.796  -1.824   2.034
   63   1HB   ALA  24          1HB       ALA  24  -0.218  -3.309   2.349
   64   2HB   ALA  24          2HB       ALA  24   1.125  -4.124   1.548
   65   3HB   ALA  24          3HB       ALA  24  -0.250  -3.555   0.603
   66    H    ARG  25           H        ARG  25   0.031  -1.546  -1.022
   67    HA   ARG  25           HA       ARG  25   2.032  -2.493  -2.842
   68   1HB   ARG  25          1HB       ARG  25  -0.236  -0.485  -3.009
   69   2HB   ARG  25          2HB       ARG  25   0.702  -0.958  -4.418
   70   1HG   ARG  25          1HG       ARG  25   0.006  -3.249  -4.216
   71   2HG   ARG  25          2HG       ARG  25  -0.716  -2.950  -2.637
   72   1HD   ARG  25          1HD       ARG  25  -2.546  -1.801  -3.541
   73   2HD   ARG  25          2HD       ARG  25  -1.676  -1.397  -5.033
   74    HE   ARG  25           HE       ARG  25  -2.394  -4.230  -4.380
   75   1HH1  ARG  25          1HH1      ARG  25  -0.816  -3.895  -6.815
   76   2HH1  ARG  25          2HH1      ARG  25  -2.012  -3.702  -8.053
   77   1HH2  ARG  25          1HH2      ARG  25  -4.573  -2.945  -5.830
   78   2HH2  ARG  25          2HH2      ARG  25  -4.144  -3.161  -7.494
   79    H    LEU  26           H        LEU  26   1.365   0.691  -1.449
   80    HA   LEU  26           HA       LEU  26   3.545   1.991  -2.940
   81   1HB   LEU  26          1HB       LEU  26   1.280   2.723  -1.108
   82   2HB   LEU  26          2HB       LEU  26   2.591   3.883  -1.306
   83    HG   LEU  26           HG       LEU  26   1.007   4.459  -2.983
   84   1HD1  LEU  26          1HD1      LEU  26   3.471   4.002  -3.728
   85   2HD1  LEU  26          2HD1      LEU  26   2.239   4.249  -4.965
   86   3HD1  LEU  26          3HD1      LEU  26   2.777   2.616  -4.571
   87   1HD2  LEU  26          1HD2      LEU  26  -0.335   2.393  -2.815
   88   2HD2  LEU  26          2HD2      LEU  26   0.913   1.514  -3.697
   89   3HD2  LEU  26          3HD2      LEU  26   0.008   2.796  -4.497
   90    H    LYS  27           H        LYS  27   3.006   0.678   0.297
   91    HA   LYS  27           HA       LYS  27   5.318   2.017   1.500
   92   1HB   LYS  27          1HB       LYS  27   3.173   1.172   2.622
   93   2HB   LYS  27          2HB       LYS  27   3.847  -0.449   2.461
   94   1HG   LYS  27          1HG       LYS  27   4.826  -0.031   4.466
   95   2HG   LYS  27          2HG       LYS  27   5.964   0.946   3.538
   96   1HD   LYS  27          1HD       LYS  27   4.437   2.914   3.847
   97   2HD   LYS  27          2HD       LYS  27   3.443   1.918   4.912
   98   1HE   LYS  27          1HE       LYS  27   5.385   1.567   6.410
   99   2HE   LYS  27          2HE       LYS  27   6.379   2.584   5.348
  100   1HZ   LYS  27          1HZ       LYS  27   3.842   3.434   6.649
  101   2HZ   LYS  27          2HZ       LYS  27   4.830   4.400   5.658
  102   3HZ   LYS  27          3HZ       LYS  27   5.395   3.871   7.171
  103    H    LYS  28           H        LYS  28   4.872  -0.783  -0.490
  104    HA   LYS  28           HA       LYS  28   7.228  -2.245   0.474
  105   1HB   LYS  28          1HB       LYS  28   4.976  -3.020  -0.710
  106   2HB   LYS  28          2HB       LYS  28   5.897  -2.697  -2.179
  107   1HG   LYS  28          1HG       LYS  28   7.024  -4.629  -1.938
  108   2HG   LYS  28          2HG       LYS  28   7.556  -4.147  -0.327
  109   1HD   LYS  28          1HD       LYS  28   4.729  -5.034  -0.557
  110   2HD   LYS  28          2HD       LYS  28   5.955  -6.284  -0.767
  111   1HE   LYS  28          1HE       LYS  28   5.777  -6.357   1.543
  112   2HE   LYS  28          2HE       LYS  28   6.972  -5.052   1.419
  113   1HZ   LYS  28          1HZ       LYS  28   4.995  -4.460   2.779
  114   2HZ   LYS  28          2HZ       LYS  28   4.030  -4.621   1.390
  115   3HZ   LYS  28          3HZ       LYS  28   5.239  -3.428   1.457
  116    H    LEU  29           H        LEU  29   6.350  -0.325  -2.399
  117    HA   LEU  29           HA       LEU  29   9.005  -0.476  -3.580
  118   1HB   LEU  29          1HB       LEU  29   7.985   0.665  -5.330
  119   2HB   LEU  29          2HB       LEU  29   6.568  -0.026  -4.550
  120    HG   LEU  29           HG       LEU  29   6.843   2.320  -3.161
  121   1HD1  LEU  29          1HD1      LEU  29   7.501   2.953  -6.052
  122   2HD1  LEU  29          2HD1      LEU  29   8.704   2.952  -4.761
  123   3HD1  LEU  29          3HD1      LEU  29   7.361   4.094  -4.714
  124   1HD2  LEU  29          1HD2      LEU  29   4.783   1.403  -4.174
  125   2HD2  LEU  29          2HD2      LEU  29   5.354   1.890  -5.770
  126   3HD2  LEU  29          3HD2      LEU  29   4.974   3.114  -4.560
  127    H    VAL  30           H        VAL  30   7.481   1.566  -1.185
  128    HA   VAL  30           HA       VAL  30   9.981   3.213  -1.044
  129    HB   VAL  30           HB       VAL  30   7.099   4.049  -1.323
  130   1HG1  VAL  30          1HG1      VAL  30   7.605   5.208   0.685
  131   2HG1  VAL  30          2HG1      VAL  30   7.948   6.378  -0.589
  132   3HG1  VAL  30          3HG1      VAL  30   9.270   5.509   0.190
  133   1HG2  VAL  30          1HG2      VAL  30   9.482   5.549  -2.348
  134   2HG2  VAL  30          2HG2      VAL  30   7.893   5.334  -3.084
  135   3HG2  VAL  30          3HG2      VAL  30   9.066   4.018  -3.115
  136    H    GLY  31           H        GLY  31  10.806   2.868   0.980
  137   1HA   GLY  31          1HA       GLY  31  10.819   2.928   3.357
  138   2HA   GLY  31          2HA       GLY  31   9.062   3.072   3.338
  139    H    GLU  32           H        GLU  32   8.955   1.393   4.981
  140    HA   GLU  32           HA       GLU  32   9.571  -1.363   3.959
  141   1HB   GLU  32          1HB       GLU  32   9.881   0.063   6.533
  142   2HB   GLU  32          2HB       GLU  32   9.226  -1.568   6.682
  143   1HG   GLU  32          1HG       GLU  32  11.507  -2.013   6.733
  144   2HG   GLU  32          2HG       GLU  32  11.177  -2.179   5.009
  Start of MODEL   20
    1   1H    ASN  16          1H        ASN  16 -12.857  -0.192   5.679
    2    HA   ASN  16           HA       ASN  16  -9.996   0.486   5.031
    3   1HB   ASN  16          1HB       ASN  16 -11.321  -1.979   5.969
    4   2HB   ASN  16          2HB       ASN  16 -10.319  -2.230   4.541
    5   1HD2  ASN  16          1HD2      ASN  16 -10.147  -0.625   7.776
    6   2HD2  ASN  16          2HD2      ASN  16  -8.499  -0.955   8.009
    7    H    TYR  17           H        TYR  17  -9.433  -0.824   2.918
    8    HA   TYR  17           HA       TYR  17 -11.372  -1.244   0.840
    9   1HB   TYR  17          1HB       TYR  17 -11.997   1.028   1.046
   10   2HB   TYR  17          2HB       TYR  17 -10.395   1.522   1.547
   11    HD1  TYR  17           HD1      TYR  17 -11.835  -0.096  -1.565
   12    HD2  TYR  17           HD2      TYR  17  -9.451   3.043   0.131
   13    HE1  TYR  17           HE1      TYR  17 -11.405   0.818  -3.815
   14    HE2  TYR  17           HE2      TYR  17  -9.003   3.940  -2.112
   15    HH   TYR  17           HH       TYR  17 -10.705   3.611  -4.544
   16    H    HIS  18           H        HIS  18  -9.987  -1.006  -1.424
   17    HA   HIS  18           HA       HIS  18  -7.635  -2.510  -1.254
   18   1HB   HIS  18          1HB       HIS  18  -7.505  -2.116  -3.501
   19   2HB   HIS  18          2HB       HIS  18  -9.108  -1.430  -3.250
   20    HD2  HIS  18           HD2      HIS  18  -5.637   0.352  -2.462
   21    HE1  HIS  18           HE1      HIS  18  -7.951   2.874  -4.916
   22    HE2  HIS  18           HE2      HIS  18  -5.779   2.629  -3.698
   23    H    LEU  19           H        LEU  19  -8.197   0.832  -0.551
   24    HA   LEU  19           HA       LEU  19  -5.773   2.152  -0.539
   25   1HB   LEU  19          1HB       LEU  19  -8.279   2.201   0.719
   26   2HB   LEU  19          2HB       LEU  19  -7.141   2.152   2.041
   27    HG   LEU  19           HG       LEU  19  -6.129   4.193   1.400
   28   1HD1  LEU  19          1HD1      LEU  19  -5.672   4.179  -0.852
   29   2HD1  LEU  19          2HD1      LEU  19  -7.129   5.170  -0.908
   30   3HD1  LEU  19          3HD1      LEU  19  -7.221   3.446  -1.267
   31   1HD2  LEU  19          1HD2      LEU  19  -7.907   5.626   1.694
   32   2HD2  LEU  19          2HD2      LEU  19  -8.739   4.107   2.030
   33   3HD2  LEU  19          3HD2      LEU  19  -8.871   4.852   0.437
   34    H    GLU  20           H        GLU  20  -7.015  -0.232   1.706
   35    HA   GLU  20           HA       GLU  20  -4.854  -0.461   3.529
   36   1HB   GLU  20          1HB       GLU  20  -6.250  -2.140   4.334
   37   2HB   GLU  20          2HB       GLU  20  -7.386  -1.317   3.278
   38   1HG   GLU  20          1HG       GLU  20  -7.104  -2.945   1.555
   39   2HG   GLU  20          2HG       GLU  20  -5.728  -3.679   2.378
   40    H    ASN  21           H        ASN  21  -5.649  -2.225   0.548
   41    HA   ASN  21           HA       ASN  21  -3.201  -3.840   0.558
   42   1HB   ASN  21          1HB       ASN  21  -5.339  -3.114  -1.462
   43   2HB   ASN  21          2HB       ASN  21  -3.957  -4.112  -1.910
   44   1HD2  ASN  21          1HD2      ASN  21  -7.029  -4.122  -0.255
   45   2HD2  ASN  21          2HD2      ASN  21  -6.978  -5.741   0.248
   46    H    GLU  22           H        GLU  22  -4.217  -0.743  -0.766
   47    HA   GLU  22           HA       GLU  22  -2.060  -0.104  -2.515
   48   1HB   GLU  22          1HB       GLU  22  -4.387   1.076  -1.348
   49   2HB   GLU  22          2HB       GLU  22  -3.052   2.169  -1.012
   50   1HG   GLU  22          1HG       GLU  22  -3.882   1.129  -3.712
   51   2HG   GLU  22          2HG       GLU  22  -4.113   2.760  -3.094
   52    H    VAL  23           H        VAL  23  -2.619   0.656   0.906
   53    HA   VAL  23           HA       VAL  23  -0.257   2.086   1.443
   54    HB   VAL  23           HB       VAL  23  -1.839   0.145   3.164
   55   1HG1  VAL  23          1HG1      VAL  23   0.288   0.527   4.233
   56   2HG1  VAL  23          2HG1      VAL  23  -0.900   1.539   5.054
   57   3HG1  VAL  23          3HG1      VAL  23   0.212   2.254   3.885
   58   1HG2  VAL  23          1HG2      VAL  23  -2.153   2.993   3.684
   59   2HG2  VAL  23          2HG2      VAL  23  -3.387   1.787   3.325
   60   3HG2  VAL  23          3HG2      VAL  23  -2.548   2.607   2.009
   61    H    ALA  24           H        ALA  24  -0.813  -1.435   1.453
   62    HA   ALA  24           HA       ALA  24   1.882  -2.170   2.242
   63   1HB   ALA  24          1HB       ALA  24  -0.163  -3.713   0.607
   64   2HB   ALA  24          2HB       ALA  24  -0.213  -3.583   2.365
   65   3HB   ALA  24          3HB       ALA  24   1.140  -4.396   1.580
   66    H    ARG  25           H        ARG  25   0.209  -1.675  -0.844
   67    HA   ARG  25           HA       ARG  25   2.253  -2.499  -2.671
   68   1HB   ARG  25          1HB       ARG  25   0.022  -0.440  -2.737
   69   2HB   ARG  25          2HB       ARG  25   0.992  -0.813  -4.155
   70   1HG   ARG  25          1HG       ARG  25   0.214  -3.060  -4.224
   71   2HG   ARG  25          2HG       ARG  25  -0.450  -2.959  -2.595
   72   1HD   ARG  25          1HD       ARG  25  -2.342  -1.829  -3.287
   73   2HD   ARG  25          2HD       ARG  25  -1.493  -1.017  -4.616
   74    HE   ARG  25           HE       ARG  25  -1.394  -3.676  -5.350
   75   1HH1  ARG  25          1HH1      ARG  25  -3.053  -1.770  -6.903
   76   2HH1  ARG  25          2HH1      ARG  25  -4.649  -2.419  -6.728
   77   1HH2  ARG  25          1HH2      ARG  25  -3.819  -4.419  -4.009
   78   2HH2  ARG  25          2HH2      ARG  25  -5.084  -3.923  -5.083
   79    H    LEU  26           H        LEU  26   1.466   0.646  -1.253
   80    HA   LEU  26           HA       LEU  26   3.594   2.164  -2.461
   81   1HB   LEU  26          1HB       LEU  26   1.557   2.412  -0.277
   82   2HB   LEU  26          2HB       LEU  26   2.860   3.594  -0.305
   83    HG   LEU  26           HG       LEU  26   2.055   4.624  -2.181
   84   1HD1  LEU  26          1HD1      LEU  26   2.513   2.811  -3.729
   85   2HD1  LEU  26          2HD1      LEU  26   0.877   3.390  -4.032
   86   3HD1  LEU  26          3HD1      LEU  26   1.130   1.895  -3.133
   87   1HD2  LEU  26          1HD2      LEU  26  -0.453   3.032  -1.633
   88   2HD2  LEU  26          2HD2      LEU  26  -0.322   4.706  -2.177
   89   3HD2  LEU  26          3HD2      LEU  26   0.128   4.277  -0.526
   90    H    LYS  27           H        LYS  27   3.256   0.531   0.708
   91    HA   LYS  27           HA       LYS  27   5.768   1.447   1.802
   92   1HB   LYS  27          1HB       LYS  27   3.600   0.342   2.834
   93   2HB   LYS  27          2HB       LYS  27   4.468  -1.163   2.530
   94   1HG   LYS  27          1HG       LYS  27   6.270  -0.537   3.947
   95   2HG   LYS  27          2HG       LYS  27   5.756   1.150   3.987
   96   1HD   LYS  27          1HD       LYS  27   3.930  -1.012   5.013
   97   2HD   LYS  27          2HD       LYS  27   5.214  -0.371   6.039
   98   1HE   LYS  27          1HE       LYS  27   4.244   1.744   6.168
   99   2HE   LYS  27          2HE       LYS  27   3.399   1.562   4.618
  100   1HZ   LYS  27          1HZ       LYS  27   1.997  -0.133   5.604
  101   2HZ   LYS  27          2HZ       LYS  27   1.877   1.305   6.499
  102   3HZ   LYS  27          3HZ       LYS  27   2.807   0.013   7.087
  103    H    LYS  28           H        LYS  28   5.044  -0.913  -0.618
  104    HA   LYS  28           HA       LYS  28   7.477  -2.519  -0.144
  105   1HB   LYS  28          1HB       LYS  28   5.120  -3.282  -0.949
  106   2HB   LYS  28          2HB       LYS  28   5.618  -2.648  -2.517
  107   1HG   LYS  28          1HG       LYS  28   7.186  -4.294  -2.842
  108   2HG   LYS  28          2HG       LYS  28   7.552  -4.429  -1.123
  109   1HD   LYS  28          1HD       LYS  28   5.795  -5.882  -0.715
  110   2HD   LYS  28          2HD       LYS  28   4.838  -5.269  -2.064
  111   1HE   LYS  28          1HE       LYS  28   6.412  -6.348  -3.661
  112   2HE   LYS  28          2HE       LYS  28   7.322  -7.011  -2.288
  113   1HZ   LYS  28          1HZ       LYS  28   4.419  -7.438  -2.785
  114   2HZ   LYS  28          2HZ       LYS  28   5.320  -8.088  -1.500
  115   3HZ   LYS  28          3HZ       LYS  28   5.637  -8.578  -3.095
  116    H    LEU  29           H        LEU  29   6.171  -0.317  -2.631
  117    HA   LEU  29           HA       LEU  29   8.606  -0.346  -4.229
  118   1HB   LEU  29          1HB       LEU  29   7.399   1.234  -5.590
  119   2HB   LEU  29          2HB       LEU  29   6.222   0.063  -5.006
  120    HG   LEU  29           HG       LEU  29   5.997   1.839  -3.020
  121   1HD1  LEU  29          1HD1      LEU  29   7.303   3.649  -3.486
  122   2HD1  LEU  29          2HD1      LEU  29   5.999   4.085  -4.588
  123   3HD1  LEU  29          3HD1      LEU  29   7.423   3.242  -5.197
  124   1HD2  LEU  29          1HD2      LEU  29   4.739   1.838  -5.766
  125   2HD2  LEU  29          2HD2      LEU  29   4.199   2.959  -4.516
  126   3HD2  LEU  29          3HD2      LEU  29   4.074   1.219  -4.254
  127    H    VAL  30           H        VAL  30   7.459   1.540  -1.497
  128    HA   VAL  30           HA       VAL  30   9.578   3.592  -1.927
  129    HB   VAL  30           HB       VAL  30   7.043   3.930  -1.276
  130   1HG1  VAL  30          1HG1      VAL  30   6.570   3.937   1.070
  131   2HG1  VAL  30          2HG1      VAL  30   8.260   3.638   1.481
  132   3HG1  VAL  30          3HG1      VAL  30   7.297   2.368   0.725
  133   1HG2  VAL  30          1HG2      VAL  30   7.644   6.015  -0.150
  134   2HG2  VAL  30          2HG2      VAL  30   8.783   5.703  -1.459
  135   3HG2  VAL  30          3HG2      VAL  30   9.251   5.384   0.211
  136    H    GLY  31           H        GLY  31   8.737   0.902   0.198
  137   1HA   GLY  31          1HA       GLY  31  11.172   1.463   1.836
  138   2HA   GLY  31          2HA       GLY  31   9.801   0.498   2.386
  139    H    GLU  32           H        GLU  32   9.559  -1.655   1.572
  140    HA   GLU  32           HA       GLU  32  11.771  -2.719  -0.122
  141   1HB   GLU  32          1HB       GLU  32  11.734  -2.843   2.666
  142   2HB   GLU  32          2HB       GLU  32  11.131  -4.425   2.171
  143   1HG   GLU  32          1HG       GLU  32  13.483  -4.694   2.241
  144   2HG   GLU  32          2HG       GLU  32  13.121  -4.470   0.530