*HEADER    DNA                                     03-OCT-00   1FZL              
*TITLE     DNA WITH PYRENE PAIRED AT ABASIC SITES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*AP*CP*AP*AP*AP*CP*AP*(PYP)P*GP*CP*AP*C)-          
*COMPND   3 3';                                                                  
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: 5'-D(*GP*TP*GP*CP*(3DR)P*TP*GP*TP*TP*TP*GP*TP*G)-          
*COMPND   8 3';                                                                  
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    PYRENE, TETRAHYDROFURAN, NON-HYDROGEN BONDED DNA BASE PAIR            
*EXPDTA    NMR, 6 STRUCTURES                                                     
*AUTHOR    S.SMIRNOV, T.J.MATRAY, E.T.KOOL, C.DE LOS SANTOS                      
*REVDAT   1   18-OCT-00 1FZL    0                                                
assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H1' and segid STR1) 3.66   $shortD $shortD !peak 1

!!assign (resid 2 and name H8 and segid STR1)
!! (resid 1 and name H1' and segid STR1) 5.56   $longD $longD !peak 3

!the distance value was decreased by 0.5 A 
assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H1' and segid STR1) 4.43   $longD $longD !peak 4
! (resid 2 and name H1' and segid STR1) 4.93   $longD $longD !peak 4

assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H1' and segid STR1) 3.93   $shortD $shortD !peak 5

!the distance value was INCREASED by 1.5 A
assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H1' and segid STR1) 3.97   $longD $longD !peak 6
! (resid 3 and name H1' and segid STR1) 2.47   $longD $longD !peak 6

!the distance value was DECREASED by 1.5 A
assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H1' and segid STR1) 4.25   $longD $longD !peak 7
! (resid 3 and name H1' and segid STR1) 5.75   $longD $longD !peak 7

!the distance value was DECREASED by 1.5 A
assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H1' and segid STR1) 4.33   $longD $longD !peak 8
! (resid 4 and name H1' and segid STR1) 5.83   $longD $longD !peak 8

assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H1' and segid STR1) 4.22   $shortD $shortD !peak 9

!the distance value was decreased by 0.5 A 
assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H1' and segid STR1) 4.38   $longD $longD !peak 10
! (resid 5 and name H1' and segid STR1) 4.88   $longD $longD !peak 10

assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H1' and segid STR1) 4.36   $shortD $shortD !peak 11

!the distance value was decreased by 0.5 A 
assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.59   $longD $longD !peak 12
! (resid 6 and name H1' and segid STR1) 5.09   $longD $longD !peak 12

assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.52   $shortD $shortD !peak 13

!the distance value was decreased by 0.5 A 
assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H1' and segid STR1) 4.00   $shortD $shortD !peak 14
! (resid 7 and name H1' and segid STR1) 4.50   $shortD $shortD !peak 14

assign (resid 10 and name H8 and segid STR1)
 (resid 9 and name H1' and segid STR1) 4.77   $shortD $shortD !peak 16

!the distance value was decreased by 0.5 A 
assign (resid 10 and name H8 and segid STR1)
 (resid 10 and name H1' and segid STR1) 4.65   $longD $longD !peak 17
! (resid 10 and name H1' and segid STR1) 5.15   $longD $longD !peak 17

assign (resid 11 and name H6 and segid STR1)
 (resid 10 and name H1' and segid STR1) 3.85   $shortD $shortD !peak 18

assign (resid 11 and name H6 and segid STR1)
 (resid 11 and name H1' and segid STR1) 3.96   $shortD $shortD !peak 19

assign (resid 12 and name H8 and segid STR1)
 (resid 11 and name H1' and segid STR1) 4.93   $longD $longD !peak 20

!the distance value was decreased by 0.5 A 
assign (resid 12 and name H8 and segid STR1)
 (resid 12 and name H1' and segid STR1) 4.24   $shortD $shortD !peak 21
! (resid 12 and name H1' and segid STR1) 4.74   $shortD $shortD !peak 21

assign (resid 13 and name H6 and segid STR1)
 (resid 12 and name H1' and segid STR1) 5.03   $longD $longD !peak 22

!the distance value was decreased by 0.5 A 
assign (resid 13 and name H6 and segid STR1)
 (resid 13 and name H1' and segid STR1) 4.62   $longD $longD !peak 23
! (resid 13 and name H1' and segid STR1) 5.12   $longD $longD !peak 23

!the distance value was decreased by 0.5 A 
assign (resid 1 and name H8 and segid STR2)
 (resid 1 and name H1' and segid STR2) 4.32   $longD $longD !peak 24
! (resid 1 and name H1' and segid STR2) 4.82   $longD $longD !peak 24

assign (resid 2 and name H6 and segid STR2)
 (resid 1 and name H1' and segid STR2) 3.93   $shortD $shortD !peak 25

!the distance value was decreased by 0.5 A 
assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H1' and segid STR2) 4.26   $shortD $shortD !peak 26
! (resid 2 and name H1' and segid STR2) 4.76   $shortD $shortD !peak 26

assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H1' and segid STR2) 5.30   $longD $longD !peak 27

assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H1' and segid STR2) 4.48   $shortD $shortD !peak 28

assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H1' and segid STR2) 3.57   $shortD $shortD !peak 29

!the distance value was decreased by 0.5 A 
assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H1' and segid STR2) 4.63   $longD $longD !peak 30
! (resid 4 and name H1' and segid STR2) 5.13   $longD $longD !peak 30

!the distance value was decreased by 0.5 A 
assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H1' and segid STR2) 4.31   $longD $longD !peak 31
! (resid 6 and name H1' and segid STR2) 4.81   $longD $longD !peak 31

assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H1' and segid STR2) 4.74   $shortD $shortD !peak 32

!the distance value was DECREASED by 1.5 A
assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H1' and segid STR2) 4.52   $longD $longD !peak 33
! (resid 7 and name H1' and segid STR2) 6.02   $longD $longD !peak 33

assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H1' and segid STR2) 3.53   $shortD $shortD !peak 34

assign (resid 8 and name H6 and segid STR2)
 (resid 8 and name H1' and segid STR2) 3.84   $shortD $shortD !peak 35

assign (resid 9 and name H6 and segid STR2)
 (resid 8 and name H1' and segid STR2) 4.40   $shortD $shortD !peak 36

!the distance value was decreased by 0.5 A 
assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H1' and segid STR2) 4.50   $longD $longD !peak 37
! (resid 9 and name H1' and segid STR2) 5.00   $longD $longD !peak 37

assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H1' and segid STR2) 4.60   $shortD $shortD !peak 38

assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H1' and segid STR2) 4.28   $shortD $shortD !peak 40

assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H1' and segid STR2) 4.41   $shortD $shortD !peak 41

assign (resid 11 and name H8 and segid STR2)
 (resid 11 and name H1' and segid STR2) 4.21   $shortD $shortD !peak 42

assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H1' and segid STR2) 3.86   $shortD $shortD !peak 43

!the distance value was decreased by 0.5 A 
assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H1' and segid STR2) 4.15   $shortD $shortD !peak 44
! (resid 12 and name H1' and segid STR2) 4.65   $shortD $shortD !peak 44

assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H1' and segid STR2) 5.26   $longD $longD !peak 45

!the distance value was decreased by 0.5 A 
assign (resid 13 and name H8 and segid STR2)
 (resid 13 and name H1' and segid STR2) 4.13   $shortD $shortD !peak 46
! (resid 13 and name H1' and segid STR2) 4.63   $shortD $shortD !peak 46

assign (resid 9 and name H9 and segid STR1)
 (resid 9 and name H1' and segid STR1) 2.08   $longD $longD !peak 50

assign (resid 9 and name H8 and segid STR1)
 (resid 9 and name H1' and segid STR1) 4.12   $shortD $shortD !peak 51

assign (resid 2 and name H2 and segid STR1)
 (resid 2 and name H1' and segid STR1) 4.86   $longD $longD !peak 52

assign (resid 2 and name H2 and segid STR1)
 (resid 13 and name H1' and segid STR2) 5.26   $longD $longD !peak 53

assign (resid 2 and name H2 and segid STR1)
 (resid 12 and name H1' and segid STR2) 6.02   $longD $longD !peak 54

assign (resid 2 and name H2 and segid STR1)
 (resid 3 and name H1' and segid STR1) 4.39   $shortD $shortD !peak 55

assign (resid 12 and name H2 and segid STR1)
 (resid 12 and name H1' and segid STR1) 4.85   $longD $longD !peak 56

assign (resid 12 and name H2 and segid STR1)
 (resid 13 and name H1' and segid STR1) 4.38   $shortD $shortD !peak 57

assign (resid 12 and name H2 and segid STR1)
 (resid 2 and name H1' and segid STR2) 5.01   $longD $longD !peak 58

assign (resid 12 and name H2 and segid STR1)
 (resid 3 and name H1' and segid STR2) 5.07   $longD $longD !peak 59

assign (resid 6 and name H2 and segid STR1)
 (resid 9 and name H1' and segid STR2) 4.07   $shortD $shortD !peak 60

assign (resid 6 and name H2 and segid STR1)
 (resid 8 and name H1' and segid STR2) 5.30   $longD $longD !peak 61

assign (resid 6 and name H2 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.99   $longD $longD !peak 62

assign (resid 6 and name H2 and segid STR1)
 (resid 7 and name H1' and segid STR1) 4.31   $shortD $shortD !peak 63

assign (resid 4 and name H2 and segid STR1)
 (resid 11 and name H1' and segid STR2) 4.36   $shortD $shortD !peak 64

assign (resid 5 and name H2 and segid STR1)
 (resid 6 and name H1' and segid STR1) 4.58   $shortD $shortD !peak 65

assign (resid 5 and name H2 and segid STR1)
 (resid 9 and name H1' and segid STR2) 5.52   $longD $longD !peak 66

assign (resid 9 and name H7 and segid STR1)
 (resid 6 and name H1' and segid STR2) 3.66   $shortD $shortD !peak 75

assign (resid 9 and name H8 and segid STR1)
 (resid 6 and name H1' and segid STR2) 3.92   $shortD $shortD !peak 76

assign (resid 9 and name H6 and segid STR1)
 (resid 4 and name H1' and segid STR2) 4.94   $longD $longD !peak 78

assign (resid 9 and name H5 and segid STR1)
 (resid 4 and name H1' and segid STR2) 5.78   $longD $longD !peak 79

assign (resid 9 and name H5 and segid STR1)
 (resid 4 and name H5 and segid STR2) 4.44   $shortD $shortD !peak 80

assign (resid 9 and name H4 and segid STR1)
 (resid 4 and name H5 and segid STR2) 4.07   $shortD $shortD !peak 81

assign (resid 3 and name H8 and segid STR2)
 (resid 4 and name H5 and segid STR2) 5.13   $longD $longD !peak 82

assign (resid 9 and name H9 and segid STR1)
 (resid 6 and name H1' and segid STR2) 5.71   $longD $longD !peak 83

!!assign (resid 13 and name H6 and segid STR1)
!! (resid 1 and name H1' and segid STR2) 11.28  $longD $longD !peak 84

assign (resid 9 and name H1 and segid STR1)
 (resid 8 and name H1' and segid STR1) 3.76   $shortD $shortD !peak 85

assign (resid 9 and name H2 and segid STR1)
 (resid 8 and name H1' and segid STR1) 4.86   $longD $longD !peak 86

assign (resid 6 and name H2 and segid STR1)
 (resid 5 and name H2 and segid STR1) 4.98   $longD $longD !peak 87

assign (resid 9 and name H6 and segid STR2)
 (resid 8 and name H6 and segid STR2) 4.54   $shortD $shortD !peak 88

assign (resid 9 and name H6 and segid STR2)
 (resid 10 and name H6 and segid STR2) 4.17   $shortD $shortD !peak 90

assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H6 and segid STR2) 3.95   $shortD $shortD !peak 91

assign (resid 3 and name H8 and segid STR2)
 (resid 4 and name H6 and segid STR2) 4.22   $shortD $shortD !peak 92 

!the distance value was DECREASED by 1.5 A
assign (resid 7 and name H8 and segid STR2)
 (resid 8 and name H6 and segid STR2) 5.17   $longD $longD !peak 93
! (resid 8 and name H6 and segid STR2) 6.67   $longD $longD !peak 93

assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H6 and segid STR2) 5.40   $longD $longD !peak 94

assign (resid 12 and name H8 and segid STR1)
 (resid 11 and name H6 and segid STR1) 5.80   $longD $longD !peak 95

!the distance value was DECREASED by 1.5 A
assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H6 and segid STR1) 5.36   $longD $longD !peak 96
! (resid 3 and name H6 and segid STR1) 6.86   $longD $longD !peak 96

assign (resid 12 and name H8 and segid STR1)
 (resid 13 and name H6 and segid STR1) 5.00   $longD $longD !peak 97

assign (resid 2 and name H8 and segid STR1)
 (resid 3 and name H6 and segid STR1) 5.34   $longD $longD !peak 98

assign (resid 6 and name H8 and segid STR1)
 (resid 7 and name H6 and segid STR1) 5.83   $longD $longD !peak 99

assign (resid 6 and name H6 and segid STR2)
 (resid 9 and name H6 and segid STR1) 5.30   $longD $longD !peak 100

assign (resid 10 and name H8 and segid STR1)
 (resid 11 and name H6 and segid STR1) 5.74   $longD $longD !peak 101

assign (resid 6 and name H6 and segid STR2)
 (resid 9 and name H7 and segid STR1) 4.63   $shortD $shortD !peak 103

!the distance value was DECREASED by 1.5 A
assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H6 and segid STR1) 3.91   $longD $longD !peak 104
! (resid 1 and name H6 and segid STR1) 6.41   $longD $longD !peak 104

assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H3' and segid STR1) 5.29   $longD $longD !peak 105

assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H3' and segid STR1) 5.33   $longD $longD !peak 106

assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H3' and segid STR1) 4.60   $shortD $shortD !peak 107

assign (resid 2 and name H8 and segid STR1)
 (resid 3 and name H1' and segid STR1) 5.59   $longD $longD !peak 108

assign (resid 12 and name H8 and segid STR1)
 (resid 13 and name H5 and segid STR1) 4.79   $shortD $shortD !peak 109

assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H3' and segid STR1) 5.27   $longD $longD !peak 110

assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H3' and segid STR1) 5.06   $longD $longD !peak 111

assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H3' and segid STR1) 5.13   $longD $longD !peak 112

assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H3' and segid STR1) 4.92   $longD $longD !peak 113

assign (resid 4 and name H8 and segid STR1)
 (resid 5 and name H8 and segid STR1) 3.85   $shortD $shortD !peak 114

assign (resid 5 and name H8 and segid STR1)
 (resid 6 and name H8 and segid STR1) 4.18   $shortD $shortD !peak 115

assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H3' and segid STR1) 4.20   $shortD $shortD !peak 116

assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H3' and segid STR1) 4.33   $shortD $shortD !peak 117

assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H3' and segid STR1) 5.32   $longD $longD !peak 118

assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H3' and segid STR1) 4.69   $shortD $shortD !peak 119

assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H3' and segid STR1) 4.30   $shortD $shortD !peak 120

assign (resid 10 and name H8 and segid STR1)
 (resid 10 and name H3' and segid STR1) 4.69   $shortD $shortD !peak 121

assign (resid 11 and name H6 and segid STR1)
 (resid 10 and name H3' and segid STR1) 4.69   $shortD $shortD !peak 122

assign (resid 11 and name H6 and segid STR1)
 (resid 11 and name H3' and segid STR1) 4.25   $shortD $shortD !peak 123

assign (resid 12 and name H8 and segid STR1)
 (resid 11 and name H3' and segid STR1) 4.78   $shortD $shortD !peak 124

assign (resid 12 and name H8 and segid STR1)
 (resid 12 and name H3' and segid STR1) 4.43   $shortD $shortD !peak 125

assign (resid 13 and name H6 and segid STR1)
 (resid 12 and name H3' and segid STR1) 4.47   $shortD $shortD !peak 126

assign (resid 13 and name H6 and segid STR1)
 (resid 13 and name H3' and segid STR1) 3.69   $shortD $shortD !peak 127

!!assign (resid 1 and name H8 and segid STR2)
!! (resid 1 and name H3' and segid STR2) 6.43   $longD $longD !peak 128

assign (resid 2 and name H6 and segid STR2)
 (resid 1 and name H3' and segid STR2) 4.97   $longD $longD !peak 129

assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H3' and segid STR2) 3.61   $shortD $shortD !peak 130

assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H3' and segid STR2) 5.09   $longD $longD !peak 131

assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H3' and segid STR2) 4.84   $longD $longD !peak 132

assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H3' and segid STR2) 5.04   $longD $longD !peak 133

assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H3' and segid STR2) 4.35   $shortD $shortD !peak 134

assign (resid 8 and name H6 and segid STR2)
 (resid 8 and name H3' and segid STR2) 3.72   $shortD $shortD !peak 135

assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H3' and segid STR2) 5.44   $longD $longD !peak 136

assign (resid 9 and name H6 and segid STR2)
 (resid 8 and name H3' and segid STR2) 5.37   $longD $longD !peak 137

assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H3' and segid STR2) 4.23   $shortD $shortD !peak 138

assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H3' and segid STR2) 3.87   $shortD $shortD !peak 139

assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H3' and segid STR2) 5.59   $longD $longD !peak 140

assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H3' and segid STR2) 5.55   $longD $longD !peak 141

assign (resid 11 and name H8 and segid STR2)
 (resid 11 and name H3' and segid STR2) 5.09   $longD $longD !peak 142

assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H3' and segid STR2) 4.11   $shortD $shortD !peak 143

assign (resid 12 and name H6 and segid STR2)
 (resid 11 and name H3' and segid STR2) 5.04   $longD $longD !peak 144

assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H3' and segid STR2) 5.08   $longD $longD !peak 145

assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H3' and segid STR2) 4.88   $longD $longD !peak 147

assign (resid 6 and name H6 and segid STR2)
 (resid 5 and name H3' and segid STR2) 4.22   $shortD $shortD !peak 148

assign (resid 10 and name H8 and segid STR1)
 (resid 9 and name H3' and segid STR1) 5.06   $longD $longD !peak 149

assign (resid 9 and name H1 and segid STR1)
 (resid 9 and name H3' and segid STR1) 4.43   $shortD $shortD !peak 150

assign (resid 10 and name H8 and segid STR1)
 (resid 11 and name H5 and segid STR1) 4.62   $shortD $shortD !peak 151

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H3' and segid STR2) 5.85   $longD $longD !peak 152

assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H3' and segid STR2) 5.88   $longD $longD !peak 153

assign (resid 12 and name H1' and segid STR1)
 (resid 12 and name H3' and segid STR1) 4.53   $shortD $shortD !peak 154

assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H3' and segid STR1) 4.48   $shortD $shortD !peak 155

assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H3' and segid STR2) 3.80   $shortD $shortD !peak 156

assign (resid 9 and name H1' and segid STR2)
 (resid 9 and name H3' and segid STR2) 4.65   $longD $longD !peak 157

assign (resid 1 and name H1' and segid STR2)
 (resid 1 and name H3' and segid STR2) 4.73   $longD $longD !peak 158

assign (resid 8 and name H1' and segid STR2)
 (resid 8 and name H3' and segid STR2) 4.56   $longD $longD !peak 159

assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H3' and segid STR1) 4.63   $longD $longD !peak 160

assign (resid 11 and name H1' and segid STR2)
 (resid 11 and name H3' and segid STR2) 4.01   $shortD $shortD !peak 161

assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H3' and segid STR2) 3.80   $shortD $shortD !peak 162

assign (resid 2 and name H1' and segid STR2)
 (resid 2 and name H3' and segid STR2) 3.86   $shortD $shortD !peak 163

assign (resid 12 and name H1' and segid STR2)
 (resid 12 and name H3' and segid STR2) 4.20   $shortD $shortD !peak 164

!the distance value was DECREASED by 1.5 A 
assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H3' and segid STR2) 3.85   $longD $longD !peak 165
! (resid 10 and name H3' and segid STR2) 5.35   $longD $longD !peak 165

assign (resid 10 and name H1' and segid STR1)
 (resid 10 and name H3' and segid STR1) 4.20   $shortD $shortD !peak 166

assign (resid 4 and name H1' and segid STR1)
 (resid 4 and name H3' and segid STR1) 3.76   $shortD $shortD !peak 167

assign (resid 5 and name H1' and segid STR1)
 (resid 5 and name H3' and segid STR1) 4.47   $longD $longD !peak 168

!the distance value was DECREASED by 1.5 A 
!assign (resid 1 and name H1' and segid STR1)
! (resid 1 and name H3' and segid STR1) 5.31   $longD $longD !peak 169
! (resid 1 and name H3' and segid STR1) 6.81   $longD $longD !peak 169

!the distance value was DECREASED by 1.5 A 
assign (resid 11 and name H1' and segid STR1)
 (resid 11 and name H3' and segid STR1) 3.47   $longD $longD !peak 170
! (resid 11 and name H3' and segid STR1) 4.97   $longD $longD !peak 170

!the distance value was DECREASED by 1.5 A 
assign (resid 3 and name H1' and segid STR1)
 (resid 3 and name H3' and segid STR1) 3.64   $longD $longD !peak 171
! (resid 3 and name H3' and segid STR1) 5.14   $longD $longD !peak 171

!the distance value was DECREASED by 1.5 A 
assign (resid 13 and name H1' and segid STR1)
 (resid 13 and name H3' and segid STR1) 4.21   $longD $longD !peak 172
! (resid 13 and name H3' and segid STR1) 5.71   $longD $longD !peak 172

assign (resid 3 and name H1' and segid STR2)
 (resid 3 and name H3' and segid STR2) 4.66   $longD $longD !peak 173

assign (resid 9 and name H1' and segid STR1)
 (resid 9 and name H3' and segid STR1) 4.70   $longD $longD !peak 174

assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H2' and segid STR1) 2.71   $shortD $shortD !peak 175

assign (resid 2 and name H8 and segid STR1)
 (resid 2 and name H2'' and segid STR1) 4.22   $shortD $shortD !peak 176

assign (resid 12 and name H8 and segid STR1)
 (resid 12 and name H2'' and segid STR1) 4.14   $shortD $shortD !peak 177

assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H2'' and segid STR1) 3.64   $shortD $shortD !peak 178

assign (resid 4 and name H8 and segid STR1)
 (resid 4 and name H2' and segid STR1) 1.97   $longD $longD !peak 179

assign (resid 12 and name H8 and segid STR1)
 (resid 12 and name H2' and segid STR1) 2.03   $longD $longD !peak 180

assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H2' and segid STR1) 3.73   $shortD $shortD !peak 181

assign (resid 12 and name H8 and segid STR1)
 (resid 11 and name H2' and segid STR1) 3.72   $shortD $shortD !peak 182

assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H2' and segid STR1) 4.78   $shortD $shortD !peak 183

assign (resid 4 and name H8 and segid STR1)
 (resid 3 and name H2'' and segid STR1) 4.08   $shortD $shortD !peak 184

assign (resid 12 and name H8 and segid STR1)
 (resid 11 and name H2'' and segid STR1) 3.24   $shortD $shortD !peak 185

assign (resid 2 and name H8 and segid STR1)
 (resid 1 and name H2'' and segid STR1) 3.47   $shortD $shortD !peak 186

assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H2' and segid STR1) 2.80   $shortD $shortD !peak 187

assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H2' and segid STR1) 3.55   $shortD $shortD !peak 188

assign (resid 5 and name H8 and segid STR1)
 (resid 5 and name H2'' and segid STR1) 4.04   $shortD $shortD !peak 189

assign (resid 5 and name H8 and segid STR1)
 (resid 4 and name H2'' and segid STR1) 3.24   $shortD $shortD !peak 190

assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H2' and segid STR1) 2.95   $shortD $shortD !peak 191

assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H2' and segid STR1) 3.68   $shortD $shortD !peak 192

assign (resid 6 and name H8 and segid STR1)
 (resid 6 and name H2'' and segid STR1) 4.39   $shortD $shortD !peak 193

assign (resid 6 and name H8 and segid STR1)
 (resid 5 and name H2'' and segid STR1) 2.81   $shortD $shortD !peak 194

assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H2'' and segid STR2) 3.19   $shortD $shortD !peak 195

assign (resid 11 and name H8 and segid STR2)
 (resid 10 and name H2'' and segid STR2) 3.48   $shortD $shortD !peak 196

assign (resid 1 and name H8 and segid STR2)
 (resid 1 and name H2' and segid STR2) 3.90   $shortD $shortD !peak 197

assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H2'' and segid STR2) 4.62   $shortD $shortD !peak 198

assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H2'' and segid STR2) 4.01   $shortD $shortD !peak 199

assign (resid 3 and name H8 and segid STR2)
 (resid 3 and name H2' and segid STR2) 2.05   $longD $longD !peak 200

assign (resid 7 and name H8 and segid STR2)
 (resid 7 and name H2' and segid STR2) 2.75   $shortD $shortD !peak 201

assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H2'' and segid STR2) 3.19   $shortD $shortD !peak 202

assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H2'' and segid STR2) 3.11   $shortD $shortD !peak 203

assign (resid 13 and name H8 and segid STR2)
 (resid 12 and name H2' and segid STR2) 4.23   $shortD $shortD !peak 204

assign (resid 7 and name H8 and segid STR2)
 (resid 6 and name H2' and segid STR2) 4.01   $shortD $shortD !peak 206

assign (resid 3 and name H8 and segid STR2)
 (resid 2 and name H2' and segid STR2) 3.72   $shortD $shortD !peak 207

assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H2'' and segid STR1) 4.20   $shortD $shortD !peak 211

assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H2'' and segid STR2) 3.73   $shortD $shortD !peak 213

assign (resid 10 and name H8 and segid STR1)
 (resid 10 and name H2' and segid STR1) 2.61   $shortD $shortD !peak 214

assign (resid 10 and name H8 and segid STR1)
 (resid 10 and name H2'' and segid STR1) 4.14   $shortD $shortD !peak 215

assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H2'' and segid STR2) 3.65   $shortD $shortD !peak 216

assign (resid 4 and name H6 and segid STR2)
 (resid 3 and name H2'' and segid STR2) 2.81   $shortD $shortD !peak 217

assign (resid 4 and name H6 and segid STR2)
 (resid 4 and name H2' and segid STR2) 2.19   $longD $longD !peak 218

assign (resid 1 and name H6 and segid STR1)
 (resid 1 and name H2' and segid STR1) 3.06   $shortD $shortD !peak 219

assign (resid 6 and name H6 and segid STR2)
 (resid 6 and name H2' and segid STR2) 2.37   $longD $longD !peak 222

assign (resid 6 and name H6 and segid STR2)
 (resid 5 and name H2'' and segid STR2) 2.93   $shortD $shortD !peak 223

assign (resid 9 and name H6 and segid STR2)
 (resid 9 and name H2'' and segid STR2) 3.00   $shortD $shortD !peak 226

assign (resid 13 and name H6 and segid STR1)
 (resid 12 and name H2'' and segid STR1) 2.96   $shortD $shortD !peak 227

assign (resid 13 and name H6 and segid STR1)
 (resid 12 and name H2' and segid STR1) 4.33   $shortD $shortD !peak 228

assign (resid 10 and name H6 and segid STR2)
 (resid 9 and name H2'' and segid STR2) 3.01   $shortD $shortD !peak 229

assign (resid 10 and name H6 and segid STR2)
 (resid 10 and name H2'' and segid STR2) 3.45   $shortD $shortD !peak 230

assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H2'' and segid STR2) 3.96   $shortD $shortD !peak 231

assign (resid 2 and name H6 and segid STR2)
 (resid 1 and name H2' and segid STR2) 3.98   $shortD $shortD !peak 232

assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H2' and segid STR1) 3.04   $shortD $shortD !peak 233

assign (resid 3 and name H6 and segid STR1)
 (resid 2 and name H2'' and segid STR1) 2.84   $shortD $shortD !peak 234

assign (resid 8 and name H6 and segid STR2)
 (resid 7 and name H2'' and segid STR2) 3.20   $shortD $shortD !peak 235
assign (resid 11 and name H6 and segid STR1)
 (resid 10 and name H2' and segid STR1) 4.18   $shortD $shortD !peak 239

assign (resid 11 and name H6 and segid STR1)
 (resid 10 and name H2'' and segid STR1) 2.83   $shortD $shortD !peak 240

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H2' and segid STR2) 4.09   $shortD $shortD !peak 242

assign (resid 9 and name H7 and segid STR1)
 (resid 5 and name H2'' and segid STR2) 4.44   $shortD $shortD !peak 243

assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H2' and segid STR1) 3.10   $shortD $shortD !peak 244

assign (resid 2 and name H6 and segid STR2)
 (resid 2 and name H2' and segid STR2) 2.22   $longD $longD !peak 247

assign (resid 3 and name H6 and segid STR1)
 (resid 3 and name H2'' and segid STR1) 3.72   $shortD $shortD !peak 249

assign (resid 11 and name H6 and segid STR1)
 (resid 11 and name H2'' and segid STR1) 3.81   $shortD $shortD !peak 250

assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H2'' and segid STR2) 4.11   $shortD $shortD !peak 251

assign (resid 12 and name H6 and segid STR2)
 (resid 12 and name H2' and segid STR2) 2.37   $longD $longD !peak 252

assign (resid 11 and name H6 and segid STR1)
 (resid 11 and name H2' and segid STR1) 2.62   $shortD $shortD !peak 253

assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H2'' and segid STR1) 2.66   $shortD $shortD !peak 263

assign (resid 9 and name H6 and segid STR1)
 (resid 4 and name H2'' and segid STR2) 3.48   $shortD $shortD !peak 264

assign (resid 7 and name H6 and segid STR1)
 (resid 6 and name H2' and segid STR1) 3.61   $shortD $shortD !peak 265

assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H2'' and segid STR2) 4.64   $shortD $shortD !peak 266

assign (resid 9 and name H6 and segid STR1)
 (resid 5 and name H2' and segid STR2) 3.51   $shortD $shortD !peak 267

assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H2' and segid STR1) 1.96   $longD $longD !peak 268

assign (resid 7 and name H6 and segid STR1)
 (resid 7 and name H2'' and segid STR1) 3.69   $shortD $shortD !peak 270

assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H2'' and segid STR1) 2.35   $longD $longD !peak 271

assign (resid 12 and name H1' and segid STR1)
 (resid 12 and name H2'' and segid STR1) 2.65   $shortD $shortD !peak 272

assign (resid 2 and name H1' and segid STR1)
 (resid 2 and name H2' and segid STR1) 3.54   $shortD $shortD !peak 273

assign (resid 12 and name H1' and segid STR1)
 (resid 12 and name H2' and segid STR1) 3.22   $shortD $shortD !peak 274

assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H2'' and segid STR2) 2.81   $shortD $shortD !peak 275

assign (resid 9 and name H1' and segid STR2)
 (resid 9 and name H2'' and segid STR2) 3.13   $shortD $shortD !peak 276

assign (resid 1 and name H1' and segid STR2)
 (resid 1 and name H2'' and segid STR2) 3.02   $shortD $shortD !peak 277

assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H2'' and segid STR2) 2.06   $longD $longD !peak 278

assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H2'' and segid STR1) 2.35   $longD $longD !peak 279

assign (resid 4 and name H1' and segid STR1)
 (resid 4 and name H2'' and segid STR1) 2.30   $longD $longD !peak 280

assign (resid 5 and name H1' and segid STR1)
 (resid 5 and name H2'' and segid STR1) 2.27   $longD $longD !peak 281

assign (resid 10 and name H1' and segid STR1)
 (resid 10 and name H2'' and segid STR1) 2.41   $shortD $shortD !peak 283

assign (resid 8 and name H1' and segid STR1)
 (resid 8 and name H2'' and segid STR1) 2.29   $longD $longD !peak 284

!the distance value was decreased by 0.5 A
assign (resid 10 and name H1' and segid STR1)
 (resid 10 and name H2' and segid STR1) 3.39   $shortD $shortD !peak 285
! (resid 10 and name H2' and segid STR1) 3.89   $shortD $shortD !peak 285

assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H2'' and segid STR2) 2.65   $shortD $shortD !peak 286

assign (resid 5 and name H1' and segid STR1)
 (resid 5 and name H2' and segid STR1) 3.49   $shortD $shortD !peak 287

assign (resid 1 and name H1' and segid STR1)
 (resid 1 and name H2'' and segid STR1) 2.77   $shortD $shortD !peak 289

assign (resid 12 and name H1' and segid STR2)
 (resid 12 and name H2'' and segid STR2) 2.44   $shortD $shortD !peak 290

assign (resid 2 and name H1' and segid STR2)
 (resid 2 and name H2'' and segid STR2) 2.33   $longD $longD !peak 291

!the distance value was decreased by 0.5 A 
assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H2' and segid STR1) 3.26   $shortD $shortD !peak 292
! (resid 6 and name H2' and segid STR1) 3.76   $shortD $shortD !peak 292

assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H2'' and segid STR2) 2.41   $shortD $shortD !peak 293

!the distance value was decreased by 0.5 A 
assign (resid 7 and name H1' and segid STR2)
 (resid 7 and name H2' and segid STR2) 3.17   $shortD $shortD !peak 294
! (resid 7 and name H2' and segid STR2) 3.67   $shortD $shortD !peak 294

assign (resid 6 and name H1' and segid STR1)
 (resid 6 and name H2'' and segid STR1) 2.35   $longD $longD !peak 295

assign (resid 1 and name H5 and segid STR1)
 (resid 1 and name H2' and segid STR1) 4.44   $shortD $shortD !peak 296

assign (resid 12 and name H1' and segid STR2)
 (resid 12 and name H2' and segid STR2) 2.79   $shortD $shortD !peak 297

assign (resid 10 and name H1' and segid STR2)
 (resid 10 and name H2' and segid STR2) 3.46   $shortD $shortD !peak 298

assign (resid 2 and name H1' and segid STR2)
 (resid 2 and name H2' and segid STR2) 3.51   $shortD $shortD !peak 299

assign (resid 6 and name H1' and segid STR2)
 (resid 6 and name H2' and segid STR2) 3.61   $longD $longD !peak 300

!the distance value was decreased by 0.5 A 
assign (resid 13 and name H1' and segid STR1)
 (resid 13 and name H2' and segid STR1) 3.28   $shortD $shortD !peak 302
! (resid 13 and name H2' and segid STR1) 3.78   $shortD $shortD !peak 302

assign (resid 13 and name H1' and segid STR2)
 (resid 13 and name H2'' and segid STR2) 2.64   $shortD $shortD !peak 303

!the distance value was decreased by 0.5 A 
assign (resid 4 and name H1' and segid STR2)
 (resid 4 and name H2' and segid STR2) 3.75   $shortD $shortD !peak 304
! (resid 4 and name H2' and segid STR2) 4.25   $shortD $shortD !peak 304

!the distance value was decreased by 0.5 A 
assign (resid 1 and name H1' and segid STR1)
 (resid 1 and name H2' and segid STR1) 3.40   $shortD $shortD !peak 312
! (resid 1 and name H2' and segid STR1) 3.90   $shortD $shortD !peak 312

!the distance value was decreased by 0.5 A 
assign (resid 11 and name H1' and segid STR1)
 (resid 11 and name H2' and segid STR1) 3.22   $shortD $shortD !peak 313
! (resid 11 and name H2' and segid STR1) 3.72   $shortD $shortD !peak 313

assign (resid 3 and name H1' and segid STR1)
 (resid 3 and name H2' and segid STR1) 3.61   $shortD $shortD !peak 314

!the distance value was INCREASED by 1.5 A
assign (resid 4 and name H5 and segid STR2)
 (resid 4 and name H2'' and segid STR2) 5.47   $longD $longD !peak 315
! (resid 4 and name H2'' and segid STR2) 3.97   $longD $longD !peak 315

!!assign (resid 4 and name H5 and segid STR2)
!! (resid 3 and name H2'' and segid STR2) 3.92   $shortD $shortD !peak 316

!!assign (resid 3 and name H1' and segid STR1)
!! (resid 4 and name H2' and segid STR1) 4.88   $longD $longD !peak 317

!!assign (resid 3 and name H1' and segid STR1)
!! (resid 2 and name H2' and segid STR1) 4.21   $shortD $shortD !peak 318

!!assign (resid 3 and name H1' and segid STR1)
!! (resid 2 and name H2'' and segid STR1) 4.27   $shortD $shortD !peak 319

assign (resid 11 and name H1' and segid STR1)
 (resid 11 and name H2'' and segid STR1) 2.47   $shortD $shortD !peak 320

assign (resid 3 and name H1' and segid STR1)
 (resid 3 and name H2'' and segid STR1) 2.73   $shortD $shortD !peak 321


!the distance value was INCREASED by 1.5 A
assign (resid 4 and name H5 and segid STR2)
 (resid 4 and name H2' and segid STR2) 4.62   $longD $longD !peak 322
! (resid 4 and name H2' and segid STR2) 3.12   $shortD $shortD !peak 322

assign (resid 11 and name H5 and segid STR1)
 (resid 11 and name H2' and segid STR1) 4.58   $shortD $shortD !peak 323

assign (resid 7 and name H1' and segid STR1)
 (resid 7 and name H2'' and segid STR1) 2.55   $shortD $shortD !peak 324

!!assign (resid 11 and name H5 and segid STR1)
!! (resid 10 and name H2' and segid STR1) 3.67   $shortD $shortD !peak 325

!!assign (resid 11 and name H5 and segid STR1)
!! (resid 10 and name H2'' and segid STR1) 3.26   $shortD $shortD !peak 326

!!the distance value was decreased by 0.5 A 
assign (resid 7 and name H1' and segid STR1)
 (resid 7 and name H2' and segid STR1) 3.35   $shortD $shortD !peak 327
! (resid 7 and name H2' and segid STR1) 4.05   $shortD $shortD !peak 327

assign (resid 7 and name H5 and segid STR1)
 (resid 7 and name H2' and segid STR1) 4.55   $shortD $shortD !peak 328

!!assign (resid 7 and name H3' and segid STR1)
!! (resid 7 and name H2' and segid STR1) 2.67   $shortD $shortD !peak 335

!!assign (resid 1 and name H3' and segid STR1)
!! (resid 1 and name H2' and segid STR1) 3.30   $shortD $shortD !peak 340

assign (resid 11 and name H3' and segid STR1)
 (resid 11 and name H2' and segid STR1) 2.83   $shortD $shortD !peak 341

assign (resid 3 and name H3' and segid STR1)
 (resid 3 and name H2' and segid STR1) 2.77   $shortD $shortD !peak 342

assign (resid 12 and name H3' and segid STR2)
 (resid 12 and name H2' and segid STR2) 2.74   $shortD $shortD !peak 343

assign (resid 7 and name H3' and segid STR1)
 (resid 7 and name H2'' and segid STR1) 3.06   $shortD $shortD !peak 345

assign (resid 8 and name H3' and segid STR2)
 (resid 8 and name H2' and segid STR2) 2.48   $shortD $shortD !peak 346

assign (resid 3 and name H3' and segid STR1)
 (resid 3 and name H2'' and segid STR1) 3.03   $shortD $shortD !peak 347

assign (resid 11 and name H3' and segid STR1)
 (resid 11 and name H2'' and segid STR1) 3.19   $shortD $shortD !peak 348

assign (resid 6 and name H3' and segid STR2)
 (resid 6 and name H2' and segid STR2) 2.61   $shortD $shortD !peak 349

assign (resid 5 and name H3' and segid STR2)
 (resid 5 and name H2'' and segid STR2) 3.01   $shortD $shortD !peak 350

assign (resid 5 and name H3' and segid STR2)
 (resid 5 and name H2' and segid STR2) 2.62   $shortD $shortD !peak 351

assign (resid 12 and name H3' and segid STR2)
 (resid 12 and name H2'' and segid STR2) 3.24   $shortD $shortD !peak 353

assign (resid 10 and name H3' and segid STR2)
 (resid 10 and name H2'' and segid STR2) 2.98   $shortD $shortD !peak 354

!the distance value was decreased by 0.5 A 
!!assign (resid 13 and name H3' and segid STR2)
!! (resid 13 and name H2'' and segid STR2) 3.71   $shortD $shortD !peak 357
! (resid 13 and name H2'' and segid STR2) 4.21   $shortD $shortD !peak 357

assign (resid 13 and name H3' and segid STR2)
 (resid 13 and name H2' and segid STR2) 2.87   $shortD $shortD !peak 358

assign (resid 1 and name H3' and segid STR2)
 (resid 1 and name H2'' and segid STR2) 3.07   $shortD $shortD !peak 359

assign (resid 1 and name H3' and segid STR2)
 (resid 1 and name H2' and segid STR2) 2.80   $shortD $shortD !peak 360

!!assign (resid 7 and name H5 and segid STR1)
!! (resid 6 and name H2' and segid STR1) 3.42   $shortD $shortD !peak 362

assign (resid 9 and name H3' and segid STR2)
 (resid 9 and name H2'' and segid STR2) 2.73   $shortD $shortD !peak 363

assign (resid 13 and name H1' and segid STR2)
 (resid 13 and name H2' and segid STR2) 2.72   $shortD $shortD !peak 369

assign (resid 8 and name H1' and segid STR2)
 (resid 8 and name H2' and segid STR2) 2.84   $shortD $shortD !peak 370

!!assign (resid 3 and name H1' and segid STR1)
!! (resid 4 and name H2'' and segid STR1) 4.31   $shortD $shortD !peak 372

assign (resid 5 and name H4' and segid STR2)
 (resid 5 and name H2' and segid STR2) 4.44   $shortD $shortD !peak 373

assign (resid 5 and name H4' and segid STR2)
 (resid 5 and name H2'' and segid STR2) 4.70   $shortD $shortD !peak 374

assign (resid 7 and name H8 and segid STR2)
 ((resid 8 and name H51 and segid STR2) or
 (resid 8 and name H52 and segid STR2) or
 (resid 8 and name H53 and segid STR2))  4.1 $ovl_dev $ovl_dev ! peak 208

assign (resid 1 and name H8 and segid STR2)
 ((resid 2 and name H51 and segid STR2) or
 (resid 2 and name H52 and segid STR2) or
 (resid 2 and name H53 and segid STR2))  5.1 $ovl_dev $ovl_dev ! peak 209

assign (resid 11 and name H8 and segid STR2)
 ((resid 12 and name H51 and segid STR2) or
 (resid 12 and name H52 and segid STR2) or
 (resid 12 and name H53 and segid STR2)) 3.7  $ovl_dev $ovl_dev ! peak 210

assign (resid 9 and name H5 and segid STR1)
 ((resid 6 and name H51 and segid STR2) or
 (resid 6 and name H52 and segid STR2) or
 (resid 6 and name H53 and segid STR2))  5.3 $ovl_dev $ovl_dev ! peak 245

assign (resid 9 and name H7 and segid STR1)
 ((resid 6 and name H51 and segid STR2) or
 (resid 6 and name H52 and segid STR2) or
 (resid 6 and name H53 and segid STR2))  5.8 $ovl_dev $ovl_dev ! peak 246

assign (resid 9 and name H6 and segid STR2)
 ((resid 10 and name H51 and segid STR2) or
 (resid 10 and name H52 and segid STR2) or
 (resid 10 and name H53 and segid STR2)) 4.3  $ovl_dev $ovl_dev ! peak 255

assign (resid 8 and name H6 and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  3.0 $ovl_dev $ovl_dev ! peak 260

assign (resid 10 and name H6 and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  6.4 $ovl_dev $ovl_dev ! peak 261

assign (resid 9 and name H6 and segid STR1)
 ((resid 6 and name H51 and segid STR2) or
 (resid 6 and name H52 and segid STR2) or
 (resid 6 and name H53 and segid STR2))  4.5 $ovl_dev $ovl_dev ! peak 269

assign (resid 2 and name H1' and segid STR2)
 ((resid 2 and name H51 and segid STR2) or
 (resid 2 and name H52 and segid STR2) or
 (resid 2 and name H53 and segid STR2))  5.6 $ovl_dev $ovl_dev ! peak 305

assign (resid 8 and name H1' and segid STR2)
 ((resid 8 and name H51 and segid STR2) or
 (resid 8 and name H52 and segid STR2) or
 (resid 8 and name H53 and segid STR2))  6.2 $ovl_dev $ovl_dev ! peak 306

assign (resid 11 and name H1' and segid STR2)
 ((resid 12 and name H51 and segid STR2) or
 (resid 12 and name H52 and segid STR2) or
 (resid 12 and name H53 and segid STR2)) 4.7  $ovl_dev $ovl_dev ! peak 307

assign (resid 8 and name H1' and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  5.6 $ovl_dev $ovl_dev ! peak 308

assign (resid 9 and name H1' and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  6.5 $ovl_dev $ovl_dev ! peak 309

assign (resid 9 and name H1' and segid STR2)
 ((resid 10 and name H51 and segid STR2) or
 (resid 10 and name H52 and segid STR2) or
 (resid 10 and name H53 and segid STR2)) 6.5  $ovl_dev $ovl_dev ! peak 310

assign (resid 8 and name H3' and segid STR2)
 ((resid 8 and name H51 and segid STR2) or
 (resid 8 and name H52 and segid STR2) or
 (resid 8 and name H53 and segid STR2))  7.0 $ovl_dev $ovl_dev ! peak 329

!assign (resid 6 and name H3' and segid STR1)
! ((resid 8 and name H51 and segid STR2) or
! (resid 8 and name H52 and segid STR2) or
! (resid 8 and name H53 and segid STR2))  9.6 $ovl_dev $ovl_dev ! peak 330

assign (resid 11 and name H3' and segid STR2)
 ((resid 12 and name H51 and segid STR2) or
 (resid 12 and name H52 and segid STR2) or
 (resid 12 and name H53 and segid STR2)) 5.6  $ovl_dev $ovl_dev ! peak 332

assign (resid 12 and name H3' and segid STR2)
 ((resid 12 and name H51 and segid STR2) or
 (resid 12 and name H52 and segid STR2) or
 (resid 12 and name H53 and segid STR2)) 6.7  $ovl_dev $ovl_dev ! peak 334

assign (resid 8 and name H3' and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  4.8 $ovl_dev $ovl_dev ! peak 336

assign (resid 9 and name H3' and segid STR2)
 ((resid 9 and name H51 and segid STR2) or
 (resid 9 and name H52 and segid STR2) or
 (resid 9 and name H53 and segid STR2))  6.6 $ovl_dev $ovl_dev ! peak 337

assign (resid 10 and name H3' and segid STR2)
 ((resid 10 and name H51 and segid STR2) or
 (resid 10 and name H52 and segid STR2) or
 (resid 10 and name H53 and segid STR2)) 5.3  $ovl_dev $ovl_dev ! peak 338

assign (resid 5 and name H3' and segid STR2)
 ((resid 6 and name H51 and segid STR2) or
 (resid 6 and name H52 and segid STR2) or
 (resid 6 and name H53 and segid STR2))  4.9 $ovl_dev $ovl_dev ! peak 344

assign (resid 5 and name H4' and segid STR2)
 ((resid 6 and name H51 and segid STR2) or
 (resid 6 and name H52 and segid STR2) or
 (resid 6 and name H53 and segid STR2))  7.1 $ovl_dev $ovl_dev ! peak 377

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   4.419 -15.698  -9.248
    2   2H5*    C   1          2H5*        C   1   4.771 -14.378 -10.377
    3    H4*    C   1           H4*        C   1   2.470 -15.184 -10.658
    4    H3*    C   1           H3*        C   1   3.138 -12.548 -10.557
    5    H1*    C   1           H1*        C   1   0.112 -13.912  -9.021
    6   1H4     C   1          H41         C   1  -0.136 -14.279  -2.264
    7   2H4     C   1          H42         C   1  -1.757 -14.595  -2.849
    8    H5     C   1           H5         C   1   1.753 -13.808  -3.795
    9    H6     C   1           H6         C   1   2.496 -13.567  -6.038
   10   1H2*    C   1          1H2*        C   1   2.691 -12.415  -8.274
   11   2H2*    C   1          2H2*        C   1   1.197 -11.681  -8.940
   12    H5T    C   1           H5T        C   1   4.421 -12.919  -8.658
   13   1H5*    A   2          1H5*        A   2  -1.918 -13.100 -11.501
   14   2H5*    A   2          2H5*        A   2  -1.967 -11.700 -12.587
   15    H4*    A   2           H4*        A   2  -4.009 -11.766 -11.421
   16    H3*    A   2           H3*        A   2  -2.363  -9.508 -11.321
   17    H1*    A   2           H1*        A   2  -4.937 -10.805  -8.630
   18    H8     A   2           H8         A   2  -1.245 -11.175  -7.349
   19   1H6     A   2          H61         A   2  -3.566 -12.953  -2.000
   20   2H6     A   2          H62         A   2  -2.135 -12.487  -2.902
   21    H2     A   2           H2         A   2  -7.073 -12.184  -4.897
   22   1H2*    A   2          1H2*        A   2  -2.090  -9.784  -8.947
   23   2H2*    A   2          2H2*        A   2  -3.569  -8.745  -8.931
   24   1H5*    C   3          1H5*        C   3  -6.662  -9.601 -10.122
   25   2H5*    C   3          2H5*        C   3  -7.658  -8.176 -10.485
   26    H4*    C   3           H4*        C   3  -8.109  -8.999  -8.224
   27    H3*    C   3           H3*        C   3  -7.700  -6.376  -8.866
   28    H1*    C   3           H1*        C   3  -6.601  -8.112  -5.883
   29   1H4     C   3          H41         C   3  -0.512  -8.645  -3.424
   30   2H4     C   3          H42         C   3  -1.676  -9.483  -2.397
   31    H5     C   3           H5         C   3  -1.316  -7.500  -5.572
   32    H6     C   3           H6         C   3  -3.225  -7.041  -7.009
   33   1H2*    C   3          1H2*        C   3  -5.419  -6.527  -8.263
   34   2H2*    C   3          2H2*        C   3  -6.111  -5.677  -6.843
   35   1H5*    A   4          1H5*        A   4 -11.057  -7.326  -5.565
   36   2H5*    A   4          2H5*        A   4 -11.905  -5.808  -5.910
   37    H4*    A   4           H4*        A   4 -12.700  -6.857  -3.828
   38    H3*    A   4           H3*        A   4 -12.324  -4.209  -4.007
   39    H1*    A   4           H1*        A   4 -10.660  -5.996  -1.009
   40    H8     A   4           H8         A   4  -8.348  -5.612  -4.078
   41   1H6     A   4          H61         A   4  -3.629  -7.575  -0.571
   42   2H6     A   4          H62         A   4  -4.112  -7.042  -2.172
   43    H2     A   4           H2         A   4  -7.483  -7.637   1.914
   44   1H2*    A   4          1H2*        A   4 -10.004  -4.408  -3.515
   45   2H2*    A   4          2H2*        A   4 -10.659  -3.754  -1.965
   46   1H5*    A   5          1H5*        A   5 -12.524  -5.042   0.650
   47   2H5*    A   5          2H5*        A   5 -13.357  -3.666   1.396
   48    H4*    A   5           H4*        A   5 -11.364  -4.203   2.620
   49    H3*    A   5           H3*        A   5 -11.613  -1.519   1.426
   50    H1*    A   5           H1*        A   5  -8.835  -3.696   2.741
   51    H8     A   5           H8         A   5  -8.136  -3.115  -1.135
   52   1H6     A   5          H61         A   5  -2.348  -4.875   0.038
   53   2H6     A   5          H62         A   5  -3.482  -4.315  -1.181
   54    H2     A   5           H2         A   5  -4.696  -4.857   3.985
   55   1H2*    A   5          1H2*        A   5  -9.514  -1.722   0.598
   56   2H2*    A   5          2H2*        A   5  -9.061  -1.292   2.323
   57   1H5*    A   6          1H5*        A   6  -9.661  -1.876   5.684
   58   2H5*    A   6          2H5*        A   6 -10.101  -0.430   6.615
   59    H4*    A   6           H4*        A   6  -7.775  -1.011   6.958
   60    H3*    A   6           H3*        A   6  -8.538   1.595   6.065
   61    H1*    A   6           H1*        A   6  -5.300  -0.507   5.527
   62    H8     A   6           H8         A   6  -7.176  -0.028   2.041
   63   1H6     A   6          H61         A   6  -1.885  -1.962  -0.484
   64   2H6     A   6          H62         A   6  -3.534  -1.430  -0.801
   65    H2     A   6           H2         A   6  -1.370  -1.882   4.054
   66   1H2*    A   6          1H2*        A   6  -7.314   1.292   4.099
   67   2H2*    A   6          2H2*        A   6  -5.983   1.936   5.157
   68   1H5*    C   7          1H5*        C   7  -4.415   0.663   8.430
   69   2H5*    C   7          2H5*        C   7  -4.220   2.056   9.509
   70    H4*    C   7           H4*        C   7  -2.052   1.206   8.780
   71    H3*    C   7           H3*        C   7  -2.657   3.835   8.886
   72    H1*    C   7           H1*        C   7  -0.787   2.427   6.036
   73   1H4     C   7          H41         C   7  -4.214   2.031   0.219
   74   2H4     C   7          H42         C   7  -2.602   1.360  -0.019
   75    H5     C   7           H5         C   7  -4.861   3.006   2.479
   76    H6     C   7           H6         C   7  -4.222   3.288   4.789
   77   1H2*    C   7          1H2*        C   7  -3.438   3.796   6.595
   78   2H2*    C   7          2H2*        C   7  -1.825   4.598   6.427
   79   1H5*    A   8          1H5*        A   8   2.051   2.530   8.957
   80   2H5*    A   8          2H5*        A   8   2.709   3.860   9.931
   81    H4*    A   8           H4*        A   8   4.459   2.839   8.575
   82    H3*    A   8           H3*        A   8   4.161   5.510   8.788
   83    H1*    A   8           H1*        A   8   4.738   3.946   5.341
   84    H8     A   8           H8         A   8   0.890   4.309   6.003
   85   1H6     A   8          H61         A   8   0.031   3.529  -0.098
   86   2H6     A   8          H62         A   8  -0.765   3.813   1.443
   87    H2     A   8           H2         A   8   4.515   3.416   0.796
   88   1H2*    A   8          1H2*        A   8   2.679   5.552   6.901
   89   2H2*    A   8          2H2*        A   8   4.189   6.220   6.185
   90   1H5*  PYP   9          1H5*      PYP   9   7.304   4.229   5.717
   91   2H5*  PYP   9          2H5*      PYP   9   8.853   5.037   6.027
   92    H4*  PYP   9           H4*      PYP   9   8.538   4.565   3.656
   93    H1*  PYP   9           H1*      PYP   9   7.000   6.313   1.559
   94    H1   PYP   9           H1       PYP   9   5.276   7.615   4.693
   95    H2   PYP   9           H2       PYP   9   2.785   7.580   4.857
   96    H3   PYP   9           H3       PYP   9   0.594   7.365   3.800
   97    H4   PYP   9           H4       PYP   9  -0.804   7.048   1.740
   98    H5   PYP   9           H5       PYP   9  -0.960   6.706  -0.668
   99    H6   PYP   9           H6       PYP   9   0.125   6.436  -2.933
  100    H7   PYP   9           H7       PYP   9   2.670   6.484  -3.079
  101    H8   PYP   9           H8       PYP   9   4.830   6.674  -2.054
  102    H9   PYP   9           H9       PYP   9   6.234   6.990  -0.054
  103   2H2*  PYP   9          2H2*      PYP   9   8.036   8.423   2.648
  104   1H2*  PYP   9          1H2*      PYP   9   7.224   7.941   4.181
  105    H3*  PYP   9           H3*      PYP   9   9.402   7.022   4.604
  106   1H5*    G  10          1H5*        G  10   9.265   7.028  -0.222
  107   2H5*    G  10          2H5*        G  10  10.542   8.131  -0.751
  108    H4*    G  10           H4*        G  10   8.461   8.595  -1.895
  109    H3*    G  10           H3*        G  10   9.825  10.694  -0.493
  110    H1*    G  10           H1*        G  10   6.318  10.131  -1.519
  111    H8     G  10           H8         G  10   6.033  10.379   2.412
  112    H1     G  10           H1         G  10   0.560  10.480  -0.844
  113   1H2     G  10          H21         G  10   2.562  10.141  -3.773
  114   2H2     G  10          H22         G  10   0.937  10.291  -3.106
  115   1H2*    G  10          1H2*        G  10   7.911  10.951   0.901
  116   2H2*    G  10          2H2*        G  10   7.478  12.096  -0.447
  117   1H5*    C  11          1H5*        C  11   7.702  10.978  -4.812
  118   2H5*    C  11          2H5*        C  11   8.544  12.262  -5.702
  119    H4*    C  11           H4*        C  11   6.271  11.886  -6.566
  120    H3*    C  11           H3*        C  11   7.313  14.393  -6.010
  121    H1*    C  11           H1*        C  11   3.737  13.286  -5.486
  122   1H4     C  11          H41         C  11   2.570  13.622   1.227
  123   2H4     C  11          H42         C  11   1.022  13.835   0.412
  124    H5     C  11           H5         C  11   4.714  13.475  -0.077
  125    H6     C  11           H6         C  11   5.718  13.325  -2.289
  126   1H2*    C  11          1H2*        C  11   6.074  14.574  -4.012
  127   2H2*    C  11          2H2*        C  11   4.984  15.446  -5.142
  128   1H5*    A  12          1H5*        A  12   3.449  14.513  -8.871
  129   2H5*    A  12          2H5*        A  12   3.698  15.805 -10.058
  130    H4*    A  12           H4*        A  12   1.353  15.617  -9.369
  131    H3*    A  12           H3*        A  12   2.767  18.104  -9.328
  132    H1*    A  12           H1*        A  12  -0.170  16.656  -7.056
  133    H8     A  12           H8         A  12   3.109  17.426  -4.998
  134   1H6     A  12          H61         A  12  -0.525  16.787  -0.018
  135   2H6     A  12          H62         A  12   1.100  17.170  -0.572
  136    H2     A  12           H2         A  12  -3.049  16.175  -3.774
  137   1H2*    A  12          1H2*        A  12   2.504  18.201  -7.005
  138   2H2*    A  12          2H2*        A  12   0.944  19.005  -7.449
  139   1H5*    C  13          1H5*        C  13  -1.793  17.417  -9.106
  140   2H5*    C  13          2H5*        C  13  -2.577  18.512 -10.258
  141    H4*    C  13           H4*        C  13  -4.076  17.934  -8.408
  142    H3*    C  13           H3*        C  13  -3.763  20.502  -9.340
  143    H1*    C  13           H1*        C  13  -3.959  19.782  -5.729
  144   1H4     C  13          H41         C  13   2.045  21.012  -2.754
  145   2H4     C  13          H42         C  13   0.827  20.629  -1.538
  146    H5     C  13           H5         C  13   1.303  21.313  -5.196
  147    H6     C  13           H6         C  13  -0.426  20.952  -6.790
  148    H3T    C  13           H3T        C  13  -5.321  19.675  -7.067
  149   1H2*    C  13          1H2*        C  13  -2.087  20.933  -7.848
  150   2H2*    C  13          2H2*        C  13  -3.470  21.810  -7.079
  151   1H5*    G  14          1H5*        G  14  -5.078  23.244   6.930
  152   2H5*    G  14          2H5*        G  14  -6.138  21.923   7.458
  153    H4*    G  14           H4*        G  14  -7.102  23.167   5.567
  154    H3*    G  14           H3*        G  14  -7.199  20.493   5.743
  155    H1*    G  14           H1*        G  14  -5.994  22.255   2.384
  156    H8     G  14           H8         G  14  -2.725  22.670   4.257
  157    H1     G  14           H1         G  14  -2.210  19.962  -1.489
  158   1H2     G  14          H21         G  14  -5.756  19.609  -1.281
  159   2H2     G  14          H22         G  14  -4.336  19.466  -2.341
  160   1H2*    G  14          1H2*        G  14  -5.087  20.265   4.579
  161   2H2*    G  14          2H2*        G  14  -6.212  19.878   3.236
  162    H5T    G  14           H5T        G  14  -3.980  21.564   5.651
  163   1H5*    T  15          1H5*        T  15  -8.840  21.126   1.042
  164   2H5*    T  15          2H5*        T  15 -10.345  20.214   1.250
  165    H4*    T  15           H4*        T  15  -9.376  19.721  -0.896
  166    H3*    T  15           H3*        T  15 -10.124  17.685   0.881
  167   1H2*    T  15          1H2*        T  15  -7.935  17.187   1.354
  168   2H2*    T  15          2H2*        T  15  -8.247  15.972   0.050
  169    H1*    T  15           H1*        T  15  -7.348  17.632  -1.601
  170    H3     T  15           H3         T  15  -2.970  16.397  -1.209
  171   1H5M    T  15          H51         T  15  -3.913  18.768   3.339
  172   2H5M    T  15          H52         T  15  -4.485  17.143   3.780
  173   3H5M    T  15          H53         T  15  -2.789  17.397   3.318
  174    H6     T  15           H6         T  15  -6.163  18.092   1.932
  175   1H5*    G  16          1H5*        G  16  -8.857  15.981  -3.555
  176   2H5*    G  16          2H5*        G  16 -10.108  14.751  -3.807
  177    H4*    G  16           H4*        G  16  -8.029  13.932  -4.621
  178    H3*    G  16           H3*        G  16  -9.440  12.483  -2.609
  179    H1*    G  16           H1*        G  16  -5.665  12.683  -3.629
  180    H8     G  16           H8         G  16  -6.027  13.632   0.200
  181    H1     G  16           H1         G  16  -0.091  13.580  -2.153
  182   1H2     G  16          H21         G  16  -1.595  12.854  -5.294
  183   2H2     G  16          H22         G  16  -0.101  13.265  -4.460
  184   1H2*    G  16          1H2*        G  16  -7.529  12.687  -1.213
  185   2H2*    G  16          2H2*        G  16  -7.039  11.174  -2.082
  186   1H5*    C  17          1H5*        C  17  -6.247  11.637  -5.664
  187   2H5*    C  17          2H5*        C  17  -6.509  10.141  -6.578
  188    H4*    C  17           H4*        C  17  -4.146  10.824  -6.563
  189    H3*    C  17           H3*        C  17  -4.936   8.248  -6.258
  190    H1*    C  17           H1*        C  17  -2.208   9.886  -4.415
  191   1H4     C  17          H41         C  17  -2.627  10.117   2.306
  192   2H4     C  17          H42         C  17  -0.973  10.434   1.781
  193    H5     C  17           H5         C  17  -4.410   9.553   0.592
  194    H6     C  17           H6         C  17  -4.976   9.426  -1.709
  195   1H2*    C  17          1H2*        C  17  -4.974   8.434  -3.852
  196   2H2*    C  17          2H2*        C  17  -3.408   7.605  -4.111
  197   1H5*  3DR  18          1H5*      3DR  18  -0.777   9.083  -8.722
  198   2H5*  3DR  18          2H5*      3DR  18  -0.999   7.394  -9.220
  199   1H4*  3DR  18          1H4*      3DR  18   1.178   8.283  -9.933
  200    H3*  3DR  18           H3*      3DR  18   0.828   5.789  -8.779
  201   1H2*  3DR  18          1H2*      3DR  18   1.387   6.615  -6.427
  202   2H2*  3DR  18          2H2*      3DR  18   2.891   5.849  -6.974
  203   1H1*  3DR  18          1H1*      3DR  18   3.701   7.926  -7.913
  204   2H1*  3DR  18          2H1*      3DR  18   3.008   8.415  -6.344
  205   1H5*    T  19          1H5*        T  19   5.059   6.242  -8.075
  206   2H5*    T  19          2H5*        T  19   6.033   4.998  -8.870
  207    H4*    T  19           H4*        T  19   6.719   5.348  -6.541
  208    H3*    T  19           H3*        T  19   6.343   2.862  -7.681
  209   1H2*    T  19          1H2*        T  19   4.244   2.609  -6.547
  210   2H2*    T  19          2H2*        T  19   5.338   1.699  -5.430
  211    H1*    T  19           H1*        T  19   5.669   3.797  -4.156
  212    H3     T  19           H3         T  19   2.415   3.556  -1.115
  213   1H5M    T  19          H51         T  19   0.011   2.185  -5.592
  214   2H5M    T  19          H52         T  19  -0.945   2.945  -4.315
  215   3H5M    T  19          H53         T  19  -0.286   3.932  -5.637
  216    H6     T  19           H6         T  19   2.381   3.409  -5.914
  217   1H5*    G  20          1H5*        G  20   7.772   2.475  -3.234
  218   2H5*    G  20          2H5*        G  20   8.951   1.153  -3.151
  219    H4*    G  20           H4*        G  20   7.455   1.005  -1.311
  220    H3*    G  20           H3*        G  20   7.572  -1.195  -3.200
  221    H1*    G  20           H1*        G  20   5.239   0.011  -0.566
  222    H8     G  20           H8         G  20   3.007   0.260  -3.900
  223    H1     G  20           H1         G  20  -0.135   0.640   1.622
  224   1H2     G  20          H21         G  20   3.001   0.119   3.225
  225   2H2     G  20          H22         G  20   1.309   0.578   3.435
  226   1H2*    G  20          1H2*        G  20   5.256  -1.210  -3.297
  227   2H2*    G  20          2H2*        G  20   5.497  -2.176  -1.760
  228   1H5*    T  21          1H5*        T  21   7.435  -1.242   1.560
  229   2H5*    T  21          2H5*        T  21   8.328  -2.654   2.151
  230    H4*    T  21           H4*        T  21   6.630  -1.909   3.745
  231    H3*    T  21           H3*        T  21   6.949  -4.564   3.000
  232   1H2*    T  21          1H2*        T  21   4.991  -4.469   1.675
  233   2H2*    T  21          2H2*        T  21   4.275  -5.132   3.191
  234    H1*    T  21           H1*        T  21   3.687  -2.713   3.839
  235    H3     T  21           H3         T  21  -0.310  -2.369   1.745
  236   1H5M    T  21          H51         T  21   3.068  -2.637  -2.238
  237   2H5M    T  21          H52         T  21   2.837  -4.375  -1.945
  238   3H5M    T  21          H53         T  21   1.458  -3.369  -2.418
  239    H6     T  21           H6         T  21   4.104  -3.394   0.191
  240   1H5*    T  22          1H5*        T  22   4.080  -3.740   6.922
  241   2H5*    T  22          2H5*        T  22   4.538  -5.058   8.013
  242    H4*    T  22           H4*        T  22   2.184  -4.525   8.258
  243    H3*    T  22           H3*        T  22   3.109  -7.130   7.859
  244   1H2*    T  22          1H2*        T  22   2.214  -7.124   5.670
  245   2H2*    T  22          2H2*        T  22   0.820  -7.872   6.519
  246    H1*    T  22           H1*        T  22  -0.216  -5.466   6.642
  247    H3     T  22           H3         T  22  -2.267  -5.087   2.661
  248   1H5M    T  22          H51         T  22   1.505  -6.308   0.248
  249   2H5M    T  22          H52         T  22   2.773  -5.681   1.321
  250   3H5M    T  22          H53         T  22   2.282  -7.382   1.435
  251    H6     T  22           H6         T  22   2.215  -6.305   3.855
  252   1H5*    T  23          1H5*        T  23  -1.563  -6.692   8.919
  253   2H5*    T  23          2H5*        T  23  -1.942  -8.098   9.932
  254    H4*    T  23           H4*        T  23  -3.754  -7.652   8.468
  255    H3*    T  23           H3*        T  23  -2.290 -10.181   8.015
  256   1H2*    T  23          1H2*        T  23  -2.471 -10.130   6.026
  257   2H2*    T  23          2H2*        T  23  -4.236 -10.487   6.177
  258    H1*    T  23           H1*        T  23  -4.740  -8.105   6.109
  259    H3     T  23           H3         T  23  -4.553  -7.612   1.585
  260   1H5M    T  23          H51         T  23  -0.114  -9.266   1.445
  261   2H5M    T  23          H52         T  23   0.402  -8.758   3.100
  262   3H5M    T  23          H53         T  23  -0.306 -10.350   2.843
  263    H6     T  23           H6         T  23  -1.352  -9.109   4.809
  264   1H5*    G  24          1H5*        G  24  -6.782  -9.758   6.925
  265   2H5*    G  24          2H5*        G  24  -7.663 -11.145   7.590
  266    H4*    G  24           H4*        G  24  -8.467 -10.738   5.372
  267    H3*    G  24           H3*        G  24  -7.474 -13.228   6.165
  268    H1*    G  24           H1*        G  24  -7.564 -11.713   2.749
  269    H8     G  24           H8         G  24  -3.795 -12.053   3.694
  270    H1     G  24           H1         G  24  -4.727 -10.032  -2.270
  271   1H2     G  24          H21         G  24  -8.208 -10.049  -1.528
  272   2H2     G  24          H22         G  24  -6.956  -9.796  -2.745
  273   1H2*    G  24          1H2*        G  24  -5.610 -12.953   4.691
  274   2H2*    G  24          2H2*        G  24  -6.768 -13.893   3.653
  275   1H5*    T  25          1H5*        T  25 -11.242 -12.825   3.489
  276   2H5*    T  25          2H5*        T  25 -12.336 -14.220   3.474
  277    H4*    T  25           H4*        T  25 -12.333 -12.955   1.340
  278    H3*    T  25           H3*        T  25 -12.314 -15.679   1.464
  279   1H2*    T  25          1H2*        T  25  -9.900 -15.751   1.186
  280   2H2*    T  25          2H2*        T  25 -10.470 -16.085  -0.511
  281    H1*    T  25           H1*        T  25 -10.379 -13.660  -0.958
  282    H3     T  25           H3         T  25  -6.165 -13.178  -2.428
  283   1H5M    T  25          H51         T  25  -5.222 -14.387   2.511
  284   2H5M    T  25          H52         T  25  -5.649 -16.041   2.002
  285   3H5M    T  25          H53         T  25  -4.278 -15.194   1.262
  286    H6     T  25           H6         T  25  -7.919 -14.883   1.705
  287   1H5*    G  26          1H5*        G  26 -11.840 -14.141  -3.343
  288   2H5*    G  26          2H5*        G  26 -12.940 -15.330  -4.058
  289    H4*    G  26           H4*        G  26 -11.085 -15.044  -5.532
  290    H3*    G  26           H3*        G  26 -11.888 -17.555  -4.749
  291    H1*    G  26           H1*        G  26  -8.545 -16.570  -5.498
  292    H8     G  26           H8         G  26  -7.943 -17.410  -1.777
  293    H1     G  26           H1         G  26  -2.919 -15.006  -4.900
  294   1H2     G  26          H21         G  26  -5.132 -14.401  -7.575
  295   2H2     G  26          H22         G  26  -3.470 -14.347  -7.000
  296    H3T    G  26           H3T        G  26 -10.617 -18.257  -6.502
  297   1H2*    G  26          1H2*        G  26 -10.042 -17.547  -3.051
  298   2H2*    G  26          2H2*        G  26  -9.417 -18.598  -4.386
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   4.909 -13.838 -10.538
    2   2H5*    C   1          2H5*        C   1   5.117 -12.299 -11.390
    3    H4*    C   1           H4*        C   1   3.101 -13.488 -12.165
    4    H3*    C   1           H3*        C   1   3.133 -10.832 -11.716
    5    H1*    C   1           H1*        C   1   0.271 -12.909 -10.509
    6   1H4     C   1          H41         C   1   0.533 -14.048  -3.813
    7   2H4     C   1          H42         C   1  -1.162 -14.086  -4.273
    8    H5     C   1           H5         C   1   2.329 -13.660  -5.491
    9    H6     C   1           H6         C   1   2.865 -13.159  -7.785
   10   1H2*    C   1          1H2*        C   1   2.484 -11.182  -9.357
   11   2H2*    C   1          2H2*        C   1   0.960 -10.607 -10.135
   12    H5T    C   1           H5T        C   1   4.256 -11.250  -9.576
   13   1H5*    A   2          1H5*        A   2  -1.731 -11.434 -12.284
   14   2H5*    A   2          2H5*        A   2  -2.038  -9.904 -13.125
   15    H4*    A   2           H4*        A   2  -3.622 -10.065 -11.434
   16    H3*    A   2           H3*        A   2  -1.653  -7.938 -11.229
   17    H1*    A   2           H1*        A   2  -4.173  -9.742  -8.788
   18    H8     A   2           H8         A   2  -0.459  -9.957  -7.620
   19   1H6     A   2          H61         A   2  -2.567 -12.579  -2.481
   20   2H6     A   2          H62         A   2  -1.166 -11.934  -3.320
   21    H2     A   2           H2         A   2  -6.138 -11.672  -5.221
   22   1H2*    A   2          1H2*        A   2  -1.454  -8.403  -8.946
   23   2H2*    A   2          2H2*        A   2  -3.012  -7.515  -8.782
   24   1H5*    C   3          1H5*        C   3  -5.748  -8.446 -10.089
   25   2H5*    C   3          2H5*        C   3  -6.923  -7.126 -10.259
   26    H4*    C   3           H4*        C   3  -7.349  -8.413  -8.223
   27    H3*    C   3           H3*        C   3  -7.317  -5.690  -8.358
   28    H1*    C   3           H1*        C   3  -6.056  -7.725  -5.666
   29   1H4     C   3          H41         C   3   0.038  -7.802  -3.127
   30   2H4     C   3          H42         C   3  -1.016  -8.884  -2.211
   31    H5     C   3           H5         C   3  -0.865  -6.553  -5.142
   32    H6     C   3           H6         C   3  -2.815  -6.151  -6.559
   33   1H2*    C   3          1H2*        C   3  -5.052  -5.654  -7.735
   34   2H2*    C   3          2H2*        C   3  -5.828  -5.117  -6.221
   35   1H5*    A   4          1H5*        A   4 -10.477  -7.728  -5.326
   36   2H5*    A   4          2H5*        A   4 -11.589  -6.356  -5.464
   37    H4*    A   4           H4*        A   4 -12.164  -7.811  -3.563
   38    H3*    A   4           H3*        A   4 -12.258  -5.139  -3.357
   39    H1*    A   4           H1*        A   4 -10.267  -7.009  -0.618
   40    H8     A   4           H8         A   4  -8.087  -5.748  -3.550
   41   1H6     A   4          H61         A   4  -3.079  -7.581  -0.375
   42   2H6     A   4          H62         A   4  -3.653  -6.809  -1.846
   43    H2     A   4           H2         A   4  -6.849  -8.645   2.003
   44   1H2*    A   4          1H2*        A   4  -9.942  -5.001  -2.876
   45   2H2*    A   4          2H2*        A   4 -10.665  -4.681  -1.256
   46   1H5*    A   5          1H5*        A   5 -12.280  -6.697   1.123
   47   2H5*    A   5          2H5*        A   5 -13.282  -5.589   2.076
   48    H4*    A   5           H4*        A   5 -11.202  -5.997   3.194
   49    H3*    A   5           H3*        A   5 -11.884  -3.222   2.423
   50    H1*    A   5           H1*        A   5  -8.776  -5.120   3.383
   51    H8     A   5           H8         A   5  -8.242  -3.825  -0.333
   52   1H6     A   5          H61         A   5  -2.226  -4.889   0.661
   53   2H6     A   5          H62         A   5  -3.419  -4.312  -0.493
   54    H2     A   5           H2         A   5  -4.549  -5.881   4.480
   55   1H2*    A   5          1H2*        A   5  -9.824  -3.000   1.540
   56   2H2*    A   5          2H2*        A   5  -9.403  -2.725   3.302
   57   1H5*    A   6          1H5*        A   6 -10.087  -3.791   6.774
   58   2H5*    A   6          2H5*        A   6 -10.594  -2.471   7.844
   59    H4*    A   6           H4*        A   6  -8.192  -2.957   7.972
   60    H3*    A   6           H3*        A   6  -9.165  -0.268   7.489
   61    H1*    A   6           H1*        A   6  -5.887  -2.212   6.666
   62    H8     A   6           H8         A   6  -7.709  -1.192   3.299
   63   1H6     A   6          H61         A   6  -2.188  -2.024   0.657
   64   2H6     A   6          H62         A   6  -3.861  -1.552   0.388
   65    H2     A   6           H2         A   6  -1.759  -2.714   5.154
   66   1H2*    A   6          1H2*        A   6  -7.886  -0.194   5.542
   67   2H2*    A   6          2H2*        A   6  -6.573   0.275   6.703
   68   1H5*    C   7          1H5*        C   7  -5.077  -1.790   9.200
   69   2H5*    C   7          2H5*        C   7  -4.771  -0.871  10.682
   70    H4*    C   7           H4*        C   7  -2.673  -1.625   9.647
   71    H3*    C   7           H3*        C   7  -2.973   0.837  10.684
   72    H1*    C   7           H1*        C   7  -1.334   0.422   7.418
   73   1H4     C   7          H41         C   7  -5.038   2.163   2.040
   74   2H4     C   7          H42         C   7  -3.485   1.544   1.482
   75    H5     C   7           H5         C   7  -5.602   2.180   4.513
   76    H6     C   7           H6         C   7  -4.823   1.652   6.749
   77   1H2*    C   7          1H2*        C   7  -3.852   1.651   8.563
   78   2H2*    C   7          2H2*        C   7  -2.200   2.373   8.587
   79   1H5*    A   8          1H5*        A   8   0.526   4.034  10.133
   80   2H5*    A   8          2H5*        A   8  -0.258   4.195   8.554
   81    H4*    A   8           H4*        A   8   2.608   3.284   9.034
   82    H3*    A   8           H3*        A   8   1.853   5.870   9.193
   83    H1*    A   8           H1*        A   8   3.016   4.476   5.799
   84    H8     A   8           H8         A   8  -0.864   4.255   6.215
   85   1H6     A   8          H61         A   8  -1.333   3.602   0.092
   86   2H6     A   8          H62         A   8  -2.187   3.682   1.623
   87    H2     A   8           H2         A   8   3.122   4.009   1.205
   88   1H2*    A   8          1H2*        A   8   0.586   5.702   7.175
   89   2H2*    A   8          2H2*        A   8   2.035   6.606   6.604
   90   1H5*  PYP   9          1H5*      PYP   9   5.402   4.927   6.481
   91   2H5*  PYP   9          2H5*      PYP   9   6.784   5.931   6.948
   92    H4*  PYP   9           H4*      PYP   9   6.888   5.207   4.599
   93    H1*  PYP   9           H1*      PYP   9   5.395   6.808   2.180
   94    H1   PYP   9           H1       PYP   9   3.432   8.046   5.203
   95    H2   PYP   9           H2       PYP   9   0.946   8.034   5.264
   96    H3   PYP   9           H3       PYP   9  -1.191   7.788   4.161
   97    H4   PYP   9           H4       PYP   9  -2.529   7.391   2.077
   98    H5   PYP   9           H5       PYP   9  -2.624   6.955  -0.264
   99    H6   PYP   9           H6       PYP   9  -1.513   6.579  -2.515
  100    H7   PYP   9           H7       PYP   9   1.043   6.591  -2.622
  101    H8   PYP   9           H8       PYP   9   3.211   6.822  -1.528
  102    H9   PYP   9           H9       PYP   9   4.565   7.217   0.498
  103   2H2*  PYP   9          2H2*      PYP   9   6.211   8.978   3.275
  104   1H2*  PYP   9          1H2*      PYP   9   5.306   8.516   4.758
  105    H3*  PYP   9           H3*      PYP   9   7.441   7.752   5.433
  106   1H5*    G  10          1H5*        G  10   8.068   7.552   0.747
  107   2H5*    G  10          2H5*        G  10   9.352   8.690   0.295
  108    H4*    G  10           H4*        G  10   7.398   8.961  -1.119
  109    H3*    G  10           H3*        G  10   8.643  11.130   0.126
  110    H1*    G  10           H1*        G  10   5.108  10.646  -0.829
  111    H8     G  10           H8         G  10   4.779  10.923   3.105
  112    H1     G  10           H1         G  10  -0.630  10.539  -0.222
  113   1H2     G  10          H21         G  10   1.462  10.166  -3.099
  114   2H2     G  10          H22         G  10  -0.190  10.286  -2.490
  115   1H2*    G  10          1H2*        G  10   6.727  11.408   1.602
  116   2H2*    G  10          2H2*        G  10   6.320  12.543   0.245
  117   1H5*    C  11          1H5*        C  11   7.200  10.964  -4.249
  118   2H5*    C  11          2H5*        C  11   8.009  12.179  -5.258
  119    H4*    C  11           H4*        C  11   5.880  11.378  -6.249
  120    H3*    C  11           H3*        C  11   6.667  13.932  -6.172
  121    H1*    C  11           H1*        C  11   3.083  12.913  -5.204
  122   1H4     C  11          H41         C  11   2.565  14.040   1.456
  123   2H4     C  11          H42         C  11   0.937  13.879   0.796
  124    H5     C  11           H5         C  11   4.569  13.994  -0.043
  125    H6     C  11           H6         C  11   5.392  13.630  -2.303
  126   1H2*    C  11          1H2*        C  11   5.524  14.518  -4.229
  127   2H2*    C  11          2H2*        C  11   4.230  15.064  -5.260
  128   1H5*    A  12          1H5*        A  12   3.734  13.052  -9.858
  129   2H5*    A  12          2H5*        A  12   3.939  14.179 -11.210
  130    H4*    A  12           H4*        A  12   1.588  13.410 -10.825
  131    H3*    A  12           H3*        A  12   2.155  15.922 -11.618
  132    H1*    A  12           H1*        A  12  -0.166  15.248  -8.437
  133    H8     A  12           H8         A  12   3.481  16.464  -7.443
  134   1H6     A  12          H61         A  12   1.157  16.743  -1.711
  135   2H6     A  12          H62         A  12   2.589  17.029  -2.695
  136    H2     A  12           H2         A  12  -2.095  15.254  -4.539
  137   1H2*    A  12          1H2*        A  12   2.428  16.670  -9.362
  138   2H2*    A  12          2H2*        A  12   0.772  17.301  -9.708
  139   1H5*    C  13          1H5*        C  13  -1.973  15.100  -9.765
  140   2H5*    C  13          2H5*        C  13  -3.238  15.708 -10.845
  141    H4*    C  13           H4*        C  13  -3.946  15.785  -8.506
  142    H3*    C  13           H3*        C  13  -4.313  17.894 -10.241
  143    H1*    C  13           H1*        C  13  -3.215  18.445  -6.760
  144   1H4     C  13          H41         C  13   3.263  20.582  -6.726
  145   2H4     C  13          H42         C  13   2.702  20.394  -5.064
  146    H5     C  13           H5         C  13   1.636  20.254  -8.644
  147    H6     C  13           H6         C  13  -0.494  19.449  -9.321
  148    H3T    C  13           H3T        C  13  -4.940  17.719  -7.435
  149   1H2*    C  13          1H2*        C  13  -2.335  18.843  -9.660
  150   2H2*    C  13          2H2*        C  13  -3.495  19.898  -8.764
  151   1H5*    G  14          1H5*        G  14   0.496  24.791   4.165
  152   2H5*    G  14          2H5*        G  14  -0.341  23.665   5.245
  153    H4*    G  14           H4*        G  14  -1.912  24.798   3.737
  154    H3*    G  14           H3*        G  14  -2.103  22.178   4.294
  155    H1*    G  14           H1*        G  14  -2.175  23.386   0.493
  156    H8     G  14           H8         G  14   1.511  23.817   1.022
  157    H1     G  14           H1         G  14   0.043  19.883  -3.769
  158   1H2     G  14          H21         G  14  -3.267  20.029  -2.432
  159   2H2     G  14          H22         G  14  -2.235  19.311  -3.682
  160   1H2*    G  14          1H2*        G  14  -0.616  21.617   2.483
  161   2H2*    G  14          2H2*        G  14  -2.190  21.191   1.727
  162    H5T    G  14           H5T        G  14   0.881  22.859   2.815
  163   1H5*    T  15          1H5*        T  15  -4.769  22.753   0.248
  164   2H5*    T  15          2H5*        T  15  -6.337  22.556   1.050
  165    H4*    T  15           H4*        T  15  -6.467  21.732  -1.217
  166    H3*    T  15           H3*        T  15  -7.395  20.304   0.901
  167   1H2*    T  15          1H2*        T  15  -5.407  19.060   1.061
  168   2H2*    T  15          2H2*        T  15  -6.464  17.870   0.214
  169    H1*    T  15           H1*        T  15  -5.591  18.688  -1.970
  170    H3     T  15           H3         T  15  -1.703  16.327  -2.317
  171   1H5M    T  15          H51         T  15  -0.016  17.934   1.671
  172   2H5M    T  15          H52         T  15  -0.753  19.540   1.680
  173   3H5M    T  15          H53         T  15  -1.518  18.204   2.577
  174    H6     T  15           H6         T  15  -3.384  19.362   0.992
  175   1H5*    G  16          1H5*        G  16  -7.943  17.838  -3.168
  176   2H5*    G  16          2H5*        G  16  -9.550  17.092  -3.122
  177    H4*    G  16           H4*        G  16  -7.917  15.607  -4.125
  178    H3*    G  16           H3*        G  16  -9.600  14.756  -2.026
  179    H1*    G  16           H1*        G  16  -5.982  13.628  -3.029
  180    H8     G  16           H8         G  16  -5.931  14.973   0.702
  181    H1     G  16           H1         G  16  -0.303  13.241  -1.725
  182   1H2     G  16          H21         G  16  -2.075  12.560  -4.739
  183   2H2     G  16          H22         G  16  -0.486  12.766  -4.001
  184   1H2*    G  16          1H2*        G  16  -7.682  14.483  -0.630
  185   2H2*    G  16          2H2*        G  16  -7.756  12.820  -1.358
  186   1H5*    C  17          1H5*        C  17  -7.069  12.841  -5.079
  187   2H5*    C  17          2H5*        C  17  -7.670  11.408  -5.935
  188    H4*    C  17           H4*        C  17  -5.204  11.625  -5.961
  189    H3*    C  17           H3*        C  17  -6.426   9.228  -5.616
  190    H1*    C  17           H1*        C  17  -3.427  10.430  -3.854
  191   1H4     C  17          H41         C  17  -3.846  10.559   2.890
  192   2H4     C  17          H42         C  17  -2.156  10.616   2.387
  193    H5     C  17           H5         C  17  -5.671  10.590   1.164
  194    H6     C  17           H6         C  17  -6.235  10.627  -1.154
  195   1H2*    C  17          1H2*        C  17  -6.365   9.420  -3.200
  196   2H2*    C  17          2H2*        C  17  -4.943   8.364  -3.496
  197   1H5*  3DR  18          1H5*      3DR  18  -2.382   9.292  -8.377
  198   2H5*  3DR  18          2H5*      3DR  18  -2.900   7.612  -8.612
  199   1H4*  3DR  18          1H4*      3DR  18  -0.721   8.041  -9.640
  200    H3*  3DR  18           H3*      3DR  18  -1.314   5.827  -8.041
  201   1H2*  3DR  18          1H2*      3DR  18  -0.262   6.837  -5.966
  202   2H2*  3DR  18          2H2*      3DR  18   1.017   5.766  -6.577
  203   1H1*  3DR  18          1H1*      3DR  18   1.952   7.547  -7.926
  204   2H1*  3DR  18          2H1*      3DR  18   1.586   8.323  -6.363
  205   1H5*    T  19          1H5*        T  19   2.896   5.755  -8.330
  206   2H5*    T  19          2H5*        T  19   3.662   4.316  -9.022
  207    H4*    T  19           H4*        T  19   4.774   5.130  -6.953
  208    H3*    T  19           H3*        T  19   4.272   2.483  -7.541
  209   1H2*    T  19          1H2*        T  19   2.335   2.486  -6.185
  210   2H2*    T  19          2H2*        T  19   3.519   1.734  -5.051
  211    H1*    T  19           H1*        T  19   3.981   4.051  -4.144
  212    H3     T  19           H3         T  19   0.913   3.764  -0.870
  213   1H5M    T  19          H51         T  19  -2.023   4.148  -5.227
  214   2H5M    T  19          H52         T  19  -1.785   2.392  -5.180
  215   3H5M    T  19          H53         T  19  -2.644   3.203  -3.861
  216    H6     T  19           H6         T  19   0.575   3.564  -5.653
  217   1H5*    G  20          1H5*        G  20   6.190   2.904  -3.192
  218   2H5*    G  20          2H5*        G  20   7.484   1.694  -3.185
  219    H4*    G  20           H4*        G  20   6.466   1.776  -1.027
  220    H3*    G  20           H3*        G  20   6.680  -0.649  -2.411
  221    H1*    G  20           H1*        G  20   4.258   0.416   0.117
  222    H8     G  20           H8         G  20   1.789   0.611  -3.035
  223    H1     G  20           H1         G  20  -0.903   0.604   2.732
  224   1H2     G  20          H21         G  20   2.414   0.269   4.015
  225   2H2     G  20          H22         G  20   0.699   0.428   4.415
  226   1H2*    G  20          1H2*        G  20   4.268  -0.749  -2.654
  227   2H2*    G  20          2H2*        G  20   4.578  -1.702  -1.126
  228   1H5*    T  21          1H5*        T  21   6.762  -0.403   2.518
  229   2H5*    T  21          2H5*        T  21   7.861  -1.730   2.940
  230    H4*    T  21           H4*        T  21   6.308  -1.202   4.774
  231    H3*    T  21           H3*        T  21   6.873  -3.769   3.989
  232   1H2*    T  21          1H2*        T  21   4.923  -3.847   2.642
  233   2H2*    T  21          2H2*        T  21   4.332  -4.719   4.108
  234    H1*    T  21           H1*        T  21   3.366  -2.538   4.943
  235    H3     T  21           H3         T  21  -0.629  -2.544   2.900
  236   1H5M    T  21          H51         T  21   1.141  -3.123  -1.305
  237   2H5M    T  21          H52         T  21   2.519  -2.026  -1.168
  238   3H5M    T  21          H53         T  21   2.753  -3.778  -0.949
  239    H6     T  21           H6         T  21   3.853  -2.812   1.223
  240   1H5*    T  22          1H5*        T  22   3.787  -3.696   7.919
  241   2H5*    T  22          2H5*        T  22   4.441  -5.020   8.897
  242    H4*    T  22           H4*        T  22   2.028  -4.944   9.067
  243    H3*    T  22           H3*        T  22   3.385  -7.305   8.466
  244   1H2*    T  22          1H2*        T  22   2.574  -7.197   6.236
  245   2H2*    T  22          2H2*        T  22   1.309  -8.262   6.935
  246    H1*    T  22           H1*        T  22  -0.134  -6.097   7.268
  247    H3     T  22           H3         T  22  -2.131  -5.448   3.306
  248   1H5M    T  22          H51         T  22   3.001  -5.391   2.120
  249   2H5M    T  22          H52         T  22   2.630  -7.113   1.949
  250   3H5M    T  22          H53         T  22   1.826  -5.920   0.899
  251    H6     T  22           H6         T  22   2.439  -6.290   4.490
  252   1H5*    T  23          1H5*        T  23  -1.320  -7.634   9.235
  253   2H5*    T  23          2H5*        T  23  -1.582  -9.156  10.103
  254    H4*    T  23           H4*        T  23  -3.356  -8.786   8.592
  255    H3*    T  23           H3*        T  23  -1.612 -11.089   7.950
  256   1H2*    T  23          1H2*        T  23  -1.756 -10.838   5.963
  257   2H2*    T  23          2H2*        T  23  -3.466 -11.414   6.030
  258    H1*    T  23           H1*        T  23  -4.230  -9.093   6.194
  259    H3     T  23           H3         T  23  -3.992  -8.077   1.762
  260   1H5M    T  23          H51         T  23   0.516 -10.408   2.838
  261   2H5M    T  23          H52         T  23   0.637  -9.090   1.639
  262   3H5M    T  23          H53         T  23   1.013  -8.809   3.385
  263    H6     T  23           H6         T  23  -0.716  -9.547   4.919
  264   1H5*    G  24          1H5*        G  24  -6.168 -11.087   6.817
  265   2H5*    G  24          2H5*        G  24  -6.869 -12.653   7.251
  266    H4*    G  24           H4*        G  24  -7.615 -12.073   5.058
  267    H3*    G  24           H3*        G  24  -6.305 -14.500   5.568
  268    H1*    G  24           H1*        G  24  -6.524 -12.500   2.438
  269    H8     G  24           H8         G  24  -2.734 -12.548   3.383
  270    H1     G  24           H1         G  24  -3.961  -9.878  -2.265
  271   1H2     G  24          H21         G  24  -7.406 -10.388  -1.556
  272   2H2     G  24          H22         G  24  -6.199  -9.807  -2.702
  273   1H2*    G  24          1H2*        G  24  -4.456 -13.773   4.240
  274   2H2*    G  24          2H2*        G  24  -5.444 -14.688   3.016
  275   1H5*    T  25          1H5*        T  25 -10.071 -14.172   3.042
  276   2H5*    T  25          2H5*        T  25 -11.030 -15.623   2.698
  277    H4*    T  25           H4*        T  25 -11.185 -13.872   0.929
  278    H3*    T  25           H3*        T  25 -10.935 -16.547   0.405
  279   1H2*    T  25          1H2*        T  25  -8.558 -16.343   0.086
  280   2H2*    T  25          2H2*        T  25  -9.135 -16.302  -1.638
  281    H1*    T  25           H1*        T  25  -9.249 -13.814  -1.457
  282    H3     T  25           H3         T  25  -5.083 -12.929  -2.928
  283   1H5M    T  25          H51         T  25  -4.332 -16.516   0.886
  284   2H5M    T  25          H52         T  25  -3.021 -15.458   0.331
  285   3H5M    T  25          H53         T  25  -4.011 -14.966   1.709
  286    H6     T  25           H6         T  25  -6.678 -15.442   0.841
  287   1H5*    G  26          1H5*        G  26 -11.100 -13.776  -4.004
  288   2H5*    G  26          2H5*        G  26 -12.353 -14.836  -4.667
  289    H4*    G  26           H4*        G  26 -10.960 -14.061  -6.470
  290    H3*    G  26           H3*        G  26 -11.602 -16.691  -6.240
  291    H1*    G  26           H1*        G  26  -8.289 -15.608  -7.297
  292    H8     G  26           H8         G  26  -7.405 -17.170  -3.899
  293    H1     G  26           H1         G  26  -2.653 -13.911  -6.623
  294   1H2     G  26          H21         G  26  -5.058 -12.827  -9.005
  295   2H2     G  26          H22         G  26  -3.360 -12.847  -8.562
  296    H3T    G  26           H3T        G  26  -9.783 -15.591  -8.127
  297   1H2*    G  26          1H2*        G  26  -9.520 -17.047  -4.918
  298   2H2*    G  26          2H2*        G  26  -9.159 -17.786  -6.523
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   5.228 -15.958  -8.351
    2   2H5*    C   1          2H5*        C   1   5.485 -14.673  -9.548
    3    H4*    C   1           H4*        C   1   3.484 -16.008 -10.083
    4    H3*    C   1           H3*        C   1   3.551 -13.315 -10.249
    5    H1*    C   1           H1*        C   1   0.628 -15.104  -8.809
    6   1H4     C   1          H41         C   1   0.249 -14.695  -2.043
    7   2H4     C   1          H42         C   1  -1.379 -15.037  -2.587
    8    H5     C   1           H5         C   1   2.152 -14.448  -3.583
    9    H6     C   1           H6         C   1   2.912 -14.421  -5.849
   10   1H2*    C   1          1H2*        C   1   2.749 -13.060  -7.987
   11   2H2*    C   1          2H2*        C   1   1.271 -12.740  -8.968
   12    H5T    C   1           H5T        C   1   4.580 -13.211  -8.079
   13   1H5*    A   2          1H5*        A   2  -1.231 -14.406 -11.354
   14   2H5*    A   2          2H5*        A   2  -1.473 -13.114 -12.541
   15    H4*    A   2           H4*        A   2  -3.386 -13.245 -11.157
   16    H3*    A   2           H3*        A   2  -1.914 -10.799 -11.300
   17    H1*    A   2           H1*        A   2  -4.353 -12.351  -8.629
   18    H8     A   2           H8         A   2  -0.794 -11.913  -7.027
   19   1H6     A   2          H61         A   2  -3.529 -13.205  -1.711
   20   2H6     A   2          H62         A   2  -2.012 -12.880  -2.534
   21    H2     A   2           H2         A   2  -6.676 -13.473  -5.041
   22   1H2*    A   2          1H2*        A   2  -1.724 -10.843  -8.905
   23   2H2*    A   2          2H2*        A   2  -3.348 -10.061  -8.997
   24   1H5*    C   3          1H5*        C   3  -6.167 -11.536 -10.031
   25   2H5*    C   3          2H5*        C   3  -7.394 -10.377 -10.569
   26    H4*    C   3           H4*        C   3  -7.808 -11.155  -8.268
   27    H3*    C   3           H3*        C   3  -8.067  -8.561  -9.012
   28    H1*    C   3           H1*        C   3  -6.609  -9.683  -5.932
   29   1H4     C   3          H41         C   3  -0.473  -8.618  -3.710
   30   2H4     C   3          H42         C   3  -1.419  -9.487  -2.498
   31    H5     C   3           H5         C   3  -1.508  -8.043  -5.954
   32    H6     C   3           H6         C   3  -3.491  -8.190  -7.352
   33   1H2*    C   3          1H2*        C   3  -5.798  -8.134  -8.484
   34   2H2*    C   3          2H2*        C   3  -6.598  -7.366  -7.068
   35   1H5*    A   4          1H5*        A   4 -10.778 -10.095  -5.168
   36   2H5*    A   4          2H5*        A   4 -11.991  -8.902  -5.669
   37    H4*    A   4           H4*        A   4 -12.442  -9.790  -3.419
   38    H3*    A   4           H3*        A   4 -12.736  -7.178  -4.002
   39    H1*    A   4           H1*        A   4 -10.639  -8.038  -0.869
   40    H8     A   4           H8         A   4  -8.518  -7.365  -4.056
   41   1H6     A   4          H61         A   4  -3.442  -8.034  -0.555
   42   2H6     A   4          H62         A   4  -4.042  -7.752  -2.181
   43    H2     A   4           H2         A   4  -7.148  -8.831   2.017
   44   1H2*    A   4          1H2*        A   4 -10.468  -6.708  -3.591
   45   2H2*    A   4          2H2*        A   4 -11.262  -6.039  -2.108
   46   1H5*    A   5          1H5*        A   5 -13.080  -7.340   0.755
   47   2H5*    A   5          2H5*        A   5 -14.194  -6.061   1.262
   48    H4*    A   5           H4*        A   5 -12.175  -6.021   2.577
   49    H3*    A   5           H3*        A   5 -12.928  -3.571   1.096
   50    H1*    A   5           H1*        A   5  -9.729  -4.939   2.521
   51    H8     A   5           H8         A   5  -9.158  -4.455  -1.395
   52   1H6     A   5          H61         A   5  -3.176  -5.276  -0.187
   53   2H6     A   5          H62         A   5  -4.386  -4.960  -1.422
   54    H2     A   5           H2         A   5  -5.520  -5.717   3.734
   55   1H2*    A   5          1H2*        A   5 -10.916  -3.627   0.084
   56   2H2*    A   5          2H2*        A   5 -10.556  -2.733   1.639
   57   1H5*    A   6          1H5*        A   6 -11.062  -3.167   5.425
   58   2H5*    A   6          2H5*        A   6 -11.567  -1.652   6.196
   59    H4*    A   6           H4*        A   6  -9.209  -2.216   6.601
   60    H3*    A   6           H3*        A   6 -10.055   0.361   5.860
   61    H1*    A   6           H1*        A   6  -6.761  -1.535   5.025
   62    H8     A   6           H8         A   6  -8.798  -1.300   1.629
   63   1H6     A   6          H61         A   6  -3.242  -2.330  -0.964
   64   2H6     A   6          H62         A   6  -4.944  -2.053  -1.325
   65    H2     A   6           H2         A   6  -2.742  -2.173   3.537
   66   1H2*    A   6          1H2*        A   6  -9.015   0.079   3.720
   67   2H2*    A   6          2H2*        A   6  -7.647   0.840   4.650
   68   1H5*    C   7          1H5*        C   7  -5.548  -0.660   7.717
   69   2H5*    C   7          2H5*        C   7  -5.483   0.538   9.023
   70    H4*    C   7           H4*        C   7  -3.229  -0.002   8.171
   71    H3*    C   7           H3*        C   7  -3.977   2.496   8.786
   72    H1*    C   7           H1*        C   7  -2.221   1.878   5.641
   73   1H4     C   7          H41         C   7  -5.894   2.278   0.002
   74   2H4     C   7          H42         C   7  -4.212   1.958  -0.431
   75    H5     C   7           H5         C   7  -6.567   2.497   2.430
   76    H6     C   7           H6         C   7  -5.828   2.353   4.739
   77   1H2*    C   7          1H2*        C   7  -4.959   2.770   6.568
   78   2H2*    C   7          2H2*        C   7  -3.475   3.790   6.450
   79   1H5*    A   8          1H5*        A   8   0.978   1.816   8.443
   80   2H5*    A   8          2H5*        A   8   1.359   3.146   9.550
   81    H4*    A   8           H4*        A   8   3.314   2.561   8.214
   82    H3*    A   8           H3*        A   8   2.443   5.171   8.538
   83    H1*    A   8           H1*        A   8   4.132   3.748   5.681
   84    H8     A   8           H8         A   8   0.683   4.593   4.091
   85   1H6     A   8          H61         A   8   3.352   3.021  -1.318
   86   2H6     A   8          H62         A   8   1.982   3.864  -0.608
   87    H2     A   8           H2         A   8   6.298   2.288   2.066
   88   1H2*    A   8          1H2*        A   8   1.488   5.092   6.282
   89   2H2*    A   8          2H2*        A   8   3.058   5.969   6.040
   90   1H5*  PYP   9          1H5*      PYP   9   6.048   4.312   5.773
   91   2H5*  PYP   9          2H5*      PYP   9   7.444   5.190   6.407
   92    H4*  PYP   9           H4*      PYP   9   7.559   4.813   3.980
   93    H1*  PYP   9           H1*      PYP   9   6.189   6.871   1.813
   94    H1   PYP   9           H1       PYP   9   4.235   7.683   4.982
   95    H2   PYP   9           H2       PYP   9   1.769   7.510   5.035
   96    H3   PYP   9           H3       PYP   9  -0.371   7.325   3.890
   97    H4   PYP   9           H4       PYP   9  -1.691   7.189   1.756
   98    H5   PYP   9           H5       PYP   9  -1.754   7.098  -0.639
   99    H6   PYP   9           H6       PYP   9  -0.608   7.153  -2.905
  100    H7   PYP   9           H7       PYP   9   1.905   7.315  -2.994
  101    H8   PYP   9           H8       PYP   9   4.074   7.502  -1.851
  102    H9   PYP   9           H9       PYP   9   5.401   7.655   0.227
  103   2H2*  PYP   9          2H2*      PYP   9   7.073   8.788   3.273
  104   1H2*  PYP   9          1H2*      PYP   9   6.131   8.118   4.646
  105    H3*  PYP   9           H3*      PYP   9   8.237   7.160   5.184
  106   1H5*    G  10          1H5*        G  10   8.744   7.685   0.511
  107   2H5*    G  10          2H5*        G  10  10.067   8.828   0.218
  108    H4*    G  10           H4*        G  10   8.129   9.410  -1.101
  109    H3*    G  10           H3*        G  10   9.410  11.309   0.496
  110    H1*    G  10           H1*        G  10   5.885  11.049  -0.576
  111    H8     G  10           H8         G  10   5.417  10.764   3.357
  112    H1     G  10           H1         G  10   0.119  10.819  -0.162
  113   1H2     G  10          H21         G  10   2.256  10.887  -3.016
  114   2H2     G  10          H22         G  10   0.599  10.825  -2.418
  115   1H2*    G  10          1H2*        G  10   7.475  11.361   1.970
  116   2H2*    G  10          2H2*        G  10   7.107  12.729   0.827
  117   1H5*    C  11          1H5*        C  11   8.003  12.015  -3.871
  118   2H5*    C  11          2H5*        C  11   8.670  13.432  -4.705
  119    H4*    C  11           H4*        C  11   6.445  12.770  -5.559
  120    H3*    C  11           H3*        C  11   7.217  15.338  -4.978
  121    H1*    C  11           H1*        C  11   3.759  13.875  -4.321
  122   1H4     C  11          H41         C  11   2.842  14.150   2.403
  123   2H4     C  11          H42         C  11   1.274  13.997   1.608
  124    H5     C  11           H5         C  11   4.954  14.357   1.005
  125    H6     C  11           H6         C  11   5.881  14.326  -1.246
  126   1H2*    C  11          1H2*        C  11   5.983  15.536  -3.017
  127   2H2*    C  11          2H2*        C  11   4.668  16.101  -4.015
  128   1H5*    A  12          1H5*        A  12   4.164  14.755  -8.673
  129   2H5*    A  12          2H5*        A  12   4.606  15.960  -9.895
  130    H4*    A  12           H4*        A  12   2.206  15.370  -9.945
  131    H3*    A  12           H3*        A  12   3.011  17.908 -10.267
  132    H1*    A  12           H1*        A  12   0.252  17.063  -7.495
  133    H8     A  12           H8         A  12   3.848  17.756  -5.981
  134   1H6     A  12          H61         A  12   1.150  16.796  -0.502
  135   2H6     A  12          H62         A  12   2.654  17.165  -1.338
  136    H2     A  12           H2         A  12  -1.948  16.096  -3.817
  137   1H2*    A  12          1H2*        A  12   3.033  18.321  -7.907
  138   2H2*    A  12          2H2*        A  12   1.470  19.118  -8.357
  139   1H5*    C  13          1H5*        C  13  -1.509  17.258  -9.358
  140   2H5*    C  13          2H5*        C  13  -2.460  18.150 -10.561
  141    H4*    C  13           H4*        C  13  -3.646  17.892  -8.417
  142    H3*    C  13           H3*        C  13  -3.648  20.247  -9.808
  143    H1*    C  13           H1*        C  13  -3.038  20.248  -6.139
  144   1H4     C  13          H41         C  13   3.539  21.663  -4.989
  145   2H4     C  13          H42         C  13   2.734  21.331  -3.455
  146    H5     C  13           H5         C  13   2.152  21.801  -7.113
  147    H6     C  13           H6         C  13   0.083  21.319  -8.152
  148    H3T    C  13           H3T        C  13  -5.336  19.364  -8.280
  149   1H2*    C  13          1H2*        C  13  -1.702  20.925  -8.819
  150   2H2*    C  13          2H2*        C  13  -2.903  21.959  -7.955
  151   1H5*    G  14          1H5*        G  14  -0.090  24.367   6.036
  152   2H5*    G  14          2H5*        G  14  -0.871  23.050   6.931
  153    H4*    G  14           H4*        G  14  -2.495  24.371   5.637
  154    H3*    G  14           H3*        G  14  -2.621  21.711   5.809
  155    H1*    G  14           H1*        G  14  -2.700  23.401   2.193
  156    H8     G  14           H8         G  14   0.970  23.877   2.886
  157    H1     G  14           H1         G  14  -0.216  20.684  -2.497
  158   1H2     G  14          H21         G  14  -3.559  20.446  -1.236
  159   2H2     G  14          H22         G  14  -2.494  20.089  -2.612
  160   1H2*    G  14          1H2*        G  14  -1.112  21.431   3.964
  161   2H2*    G  14          2H2*        G  14  -2.661  21.066   3.133
  162    H5T    G  14           H5T        G  14   0.363  22.705   4.397
  163   1H5*    T  15          1H5*        T  15  -5.221  22.650   1.854
  164   2H5*    T  15          2H5*        T  15  -6.803  22.203   2.512
  165    H4*    T  15           H4*        T  15  -6.696  21.711   0.130
  166    H3*    T  15           H3*        T  15  -7.675  19.945   1.952
  167   1H2*    T  15          1H2*        T  15  -5.612  18.837   2.140
  168   2H2*    T  15          2H2*        T  15  -6.490  17.699   1.051
  169    H1*    T  15           H1*        T  15  -5.521  18.852  -0.913
  170    H3     T  15           H3         T  15  -1.464  16.827  -1.229
  171   1H5M    T  15          H51         T  15  -1.880  18.055   3.892
  172   2H5M    T  15          H52         T  15  -0.279  17.871   3.135
  173   3H5M    T  15          H53         T  15  -1.030  19.470   3.232
  174    H6     T  15           H6         T  15  -3.627  19.247   2.303
  175   1H5*    G  16          1H5*        G  16  -7.623  17.924  -2.487
  176   2H5*    G  16          2H5*        G  16  -9.202  17.130  -2.615
  177    H4*    G  16           H4*        G  16  -7.498  15.799  -3.680
  178    H3*    G  16           H3*        G  16  -9.180  14.688  -1.702
  179    H1*    G  16           H1*        G  16  -5.498  13.801  -2.727
  180    H8     G  16           H8         G  16  -5.636  14.741   1.126
  181    H1     G  16           H1         G  16   0.177  13.643  -1.208
  182   1H2     G  16          H21         G  16  -1.372  13.245  -4.386
  183   2H2     G  16          H22         G  16   0.144  13.431  -3.500
  184   1H2*    G  16          1H2*        G  16  -7.289  14.310  -0.306
  185   2H2*    G  16          2H2*        G  16  -7.257  12.752  -1.247
  186   1H5*    C  17          1H5*        C  17  -6.511  13.226  -4.820
  187   2H5*    C  17          2H5*        C  17  -7.010  11.865  -5.845
  188    H4*    C  17           H4*        C  17  -4.572  12.187  -5.779
  189    H3*    C  17           H3*        C  17  -5.727   9.716  -5.681
  190    H1*    C  17           H1*        C  17  -2.732  10.886  -3.852
  191   1H4     C  17          H41         C  17  -3.090  10.291   2.893
  192   2H4     C  17          H42         C  17  -1.410  10.494   2.400
  193    H5     C  17           H5         C  17  -4.924  10.382   1.179
  194    H6     C  17           H6         C  17  -5.503  10.586  -1.127
  195   1H2*    C  17          1H2*        C  17  -5.601   9.645  -3.273
  196   2H2*    C  17          2H2*        C  17  -4.155   8.692  -3.737
  197   1H5*  3DR  18          1H5*      3DR  18  -1.420  10.870  -7.417
  198   2H5*  3DR  18          2H5*      3DR  18  -1.734   9.640  -8.656
  199   1H4*  3DR  18          1H4*      3DR  18   0.529  10.520  -8.836
  200    H3*  3DR  18           H3*      3DR  18  -0.135   7.805  -8.868
  201   1H2*  3DR  18          1H2*      3DR  18   0.473   7.476  -6.414
  202   2H2*  3DR  18          2H2*      3DR  18   1.907   6.880  -7.281
  203   1H1*  3DR  18          1H1*      3DR  18   2.914   9.071  -7.264
  204   2H1*  3DR  18          2H1*      3DR  18   2.272   8.871  -5.611
  205   1H5*    T  19          1H5*        T  19   4.193   7.625  -8.474
  206   2H5*    T  19          2H5*        T  19   4.966   6.382  -9.470
  207    H4*    T  19           H4*        T  19   5.570   6.137  -7.121
  208    H3*    T  19           H3*        T  19   4.711   4.019  -8.698
  209   1H2*    T  19          1H2*        T  19   2.600   4.019  -7.597
  210   2H2*    T  19          2H2*        T  19   3.447   2.724  -6.662
  211    H1*    T  19           H1*        T  19   4.189   4.507  -5.070
  212    H3     T  19           H3         T  19   0.983   4.381  -1.968
  213   1H5M    T  19          H51         T  19  -1.692   5.565  -6.328
  214   2H5M    T  19          H52         T  19  -1.668   3.790  -6.449
  215   3H5M    T  19          H53         T  19  -2.457   4.578  -5.070
  216    H6     T  19           H6         T  19   0.837   4.767  -6.750
  217   1H5*    G  20          1H5*        G  20   6.167   3.204  -4.306
  218   2H5*    G  20          2H5*        G  20   7.256   1.805  -4.358
  219    H4*    G  20           H4*        G  20   6.063   1.870  -2.268
  220    H3*    G  20           H3*        G  20   6.072  -0.444  -3.878
  221    H1*    G  20           H1*        G  20   3.671   0.778  -1.378
  222    H8     G  20           H8         G  20   1.413   1.333  -4.670
  223    H1     G  20           H1         G  20  -1.573   1.401   0.956
  224   1H2     G  20          H21         G  20   1.660   0.755   2.349
  225   2H2     G  20          H22         G  20  -0.034   1.115   2.728
  226   1H2*    G  20          1H2*        G  20   3.698  -0.267  -4.195
  227   2H2*    G  20          2H2*        G  20   3.824  -1.309  -2.697
  228   1H5*    T  21          1H5*        T  21   5.669   0.301   0.686
  229   2H5*    T  21          2H5*        T  21   6.774  -0.882   1.405
  230    H4*    T  21           H4*        T  21   5.302   0.093   3.098
  231    H3*    T  21           H3*        T  21   5.845  -2.556   2.931
  232   1H2*    T  21          1H2*        T  21   3.915  -2.932   1.594
  233   2H2*    T  21          2H2*        T  21   3.308  -3.512   3.191
  234    H1*    T  21           H1*        T  21   2.296  -1.224   3.563
  235    H3     T  21           H3         T  21  -1.606  -2.109   1.432
  236   1H5M    T  21          H51         T  21   1.714  -1.575  -2.517
  237   2H5M    T  21          H52         T  21   2.031  -3.293  -2.160
  238   3H5M    T  21          H53         T  21   0.406  -2.762  -2.645
  239    H6     T  21           H6         T  21   2.947  -1.955  -0.053
  240   1H5*    T  22          1H5*        T  22   2.565  -1.946   6.588
  241   2H5*    T  22          2H5*        T  22   3.335  -2.967   7.815
  242    H4*    T  22           H4*        T  22   0.932  -3.171   7.969
  243    H3*    T  22           H3*        T  22   2.606  -5.416   7.714
  244   1H2*    T  22          1H2*        T  22   1.742  -5.809   5.554
  245   2H2*    T  22          2H2*        T  22   0.618  -6.865   6.480
  246    H1*    T  22           H1*        T  22  -1.052  -4.838   6.451
  247    H3     T  22           H3         T  22  -3.088  -5.311   2.474
  248   1H5M    T  22          H51         T  22   1.933  -4.390   1.178
  249   2H5M    T  22          H52         T  22   1.938  -6.154   1.270
  250   3H5M    T  22          H53         T  22   0.905  -5.326   0.081
  251    H6     T  22           H6         T  22   1.544  -5.034   3.690
  252   1H5*    T  23          1H5*        T  23  -1.925  -6.515   9.065
  253   2H5*    T  23          2H5*        T  23  -1.796  -7.978  10.055
  254    H4*    T  23           H4*        T  23  -3.652  -8.138   8.557
  255    H3*    T  23           H3*        T  23  -1.441 -10.067   8.129
  256   1H2*    T  23          1H2*        T  23  -1.596 -10.064   6.157
  257   2H2*    T  23          2H2*        T  23  -3.163 -10.961   6.291
  258    H1*    T  23           H1*        T  23  -4.391  -8.863   6.194
  259    H3     T  23           H3         T  23  -4.363  -8.310   1.682
  260   1H5M    T  23          H51         T  23   0.711  -7.991   3.150
  261   2H5M    T  23          H52         T  23   0.497  -9.731   2.967
  262   3H5M    T  23          H53         T  23   0.363  -8.697   1.525
  263    H6     T  23           H6         T  23  -0.853  -8.831   4.891
  264   1H5*    G  24          1H5*        G  24  -5.821 -10.831   7.140
  265   2H5*    G  24          2H5*        G  24  -6.369 -12.375   7.811
  266    H4*    G  24           H4*        G  24  -7.415 -12.012   5.677
  267    H3*    G  24           H3*        G  24  -6.079 -14.377   6.273
  268    H1*    G  24           H1*        G  24  -6.533 -12.762   2.941
  269    H8     G  24           H8         G  24  -2.719 -12.375   3.723
  270    H1     G  24           H1         G  24  -4.335 -10.628  -2.168
  271   1H2     G  24          H21         G  24  -7.698 -11.396  -1.267
  272   2H2     G  24          H22         G  24  -6.585 -10.910  -2.545
  273   1H2*    G  24          1H2*        G  24  -4.313 -13.774   4.739
  274   2H2*    G  24          2H2*        G  24  -5.387 -14.828   3.715
  275   1H5*    T  25          1H5*        T  25 -10.020 -14.230   3.927
  276   2H5*    T  25          2H5*        T  25 -11.000 -15.706   3.852
  277    H4*    T  25           H4*        T  25 -11.271 -14.208   1.875
  278    H3*    T  25           H3*        T  25 -11.181 -16.917   1.733
  279   1H2*    T  25          1H2*        T  25  -8.769 -16.887   1.374
  280   2H2*    T  25          2H2*        T  25  -9.386 -17.146  -0.317
  281    H1*    T  25           H1*        T  25  -9.407 -14.710  -0.640
  282    H3     T  25           H3         T  25  -5.359 -14.210  -2.363
  283   1H5M    T  25          H51         T  25  -4.000 -15.366   2.474
  284   2H5M    T  25          H52         T  25  -4.528 -17.026   2.070
  285   3H5M    T  25          H53         T  25  -3.204 -16.252   1.177
  286    H6     T  25           H6         T  25  -6.810 -15.930   1.874
  287   1H5*    G  26          1H5*        G  26 -11.046 -15.279  -3.409
  288   2H5*    G  26          2H5*        G  26 -12.249 -16.539  -3.728
  289    H4*    G  26           H4*        G  26 -10.686 -16.546  -5.530
  290    H3*    G  26           H3*        G  26 -11.359 -18.856  -4.256
  291    H1*    G  26           H1*        G  26  -8.018 -18.180  -5.467
  292    H8     G  26           H8         G  26  -7.221 -18.531  -1.776
  293    H1     G  26           H1         G  26  -2.504 -15.825  -5.096
  294   1H2     G  26          H21         G  26  -4.813 -15.579  -7.774
  295   2H2     G  26          H22         G  26  -3.155 -15.330  -7.250
  296    H3T    G  26           H3T        G  26 -10.293 -19.914  -5.949
  297   1H2*    G  26          1H2*        G  26  -9.366 -18.552  -2.771
  298   2H2*    G  26          2H2*        G  26  -8.880 -19.880  -3.898
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   3.783 -16.167  -9.920
    2   2H5*    C   1          2H5*        C   1   4.398 -14.835 -10.910
    3    H4*    C   1           H4*        C   1   1.988 -15.164 -11.239
    4    H3*    C   1           H3*        C   1   3.124 -12.713 -10.864
    5    H1*    C   1           H1*        C   1  -0.151 -13.705  -9.453
    6   1H4     C   1          H41         C   1  -0.274 -14.571  -2.738
    7   2H4     C   1          H42         C   1  -1.938 -14.614  -3.281
    8    H5     C   1           H5         C   1   1.620 -14.296  -4.297
    9    H6     C   1           H6         C   1   2.337 -13.994  -6.530
   10   1H2*    C   1          1H2*        C   1   2.609 -12.629  -8.627
   11   2H2*    C   1          2H2*        C   1   1.205 -11.683  -9.231
   12    H5T    C   1           H5T        C   1   4.275 -13.519  -9.023
   13   1H5*    A   2          1H5*        A   2  -1.621 -12.260 -12.007
   14   2H5*    A   2          2H5*        A   2  -1.714 -10.704 -12.845
   15    H4*    A   2           H4*        A   2  -3.588 -10.976 -11.389
   16    H3*    A   2           H3*        A   2  -1.800  -8.719 -11.067
   17    H1*    A   2           H1*        A   2  -4.374 -10.597  -8.749
   18    H8     A   2           H8         A   2  -0.739 -10.622  -7.261
   19   1H6     A   2          H61         A   2  -3.296 -12.853  -2.138
   20   2H6     A   2          H62         A   2  -1.828 -12.272  -2.905
   21    H2     A   2           H2         A   2  -6.584 -12.371  -5.298
   22   1H2*    A   2          1H2*        A   2  -1.692  -9.172  -8.758
   23   2H2*    A   2          2H2*        A   2  -3.282  -8.326  -8.704
   24   1H5*    C   3          1H5*        C   3  -6.003  -9.378 -10.027
   25   2H5*    C   3          2H5*        C   3  -7.196  -8.094 -10.307
   26    H4*    C   3           H4*        C   3  -7.673  -9.349  -8.244
   27    H3*    C   3           H3*        C   3  -7.825  -6.653  -8.421
   28    H1*    C   3           H1*        C   3  -6.480  -8.508  -5.662
   29   1H4     C   3          H41         C   3  -0.395  -8.117  -3.076
   30   2H4     C   3          H42         C   3  -1.398  -9.156  -2.068
   31    H5     C   3           H5         C   3  -1.350  -7.053  -5.168
   32    H6     C   3           H6         C   3  -3.313  -6.850  -6.618
   33   1H2*    C   3          1H2*        C   3  -5.571  -6.448  -7.783
   34   2H2*    C   3          2H2*        C   3  -6.366  -5.926  -6.275
   35   1H5*    A   4          1H5*        A   4 -11.051  -8.655  -4.798
   36   2H5*    A   4          2H5*        A   4 -12.059  -7.297  -5.326
   37    H4*    A   4           H4*        A   4 -12.761  -8.132  -3.137
   38    H3*    A   4           H3*        A   4 -12.664  -5.524  -3.644
   39    H1*    A   4           H1*        A   4 -10.832  -6.708  -0.446
   40    H8     A   4           H8         A   4  -8.582  -6.605  -3.576
   41   1H6     A   4          H61         A   4  -3.713  -7.811   0.075
   42   2H6     A   4          H62         A   4  -4.252  -7.782  -1.588
   43    H2     A   4           H2         A   4  -7.539  -7.777   2.607
   44   1H2*    A   4          1H2*        A   4 -10.317  -5.420  -3.152
   45   2H2*    A   4          2H2*        A   4 -11.015  -4.627  -1.696
   46   1H5*    A   5          1H5*        A   5 -12.868  -5.442   1.219
   47   2H5*    A   5          2H5*        A   5 -13.717  -3.922   1.549
   48    H4*    A   5           H4*        A   5 -11.737  -3.991   2.846
   49    H3*    A   5           H3*        A   5 -12.039  -1.774   0.969
   50    H1*    A   5           H1*        A   5  -9.112  -3.408   2.652
   51    H8     A   5           H8         A   5  -8.479  -3.727  -1.218
   52   1H6     A   5          H61         A   5  -2.687  -5.229   0.287
   53   2H6     A   5          H62         A   5  -3.855  -5.055  -1.014
   54    H2     A   5           H2         A   5  -5.103  -4.608   4.153
   55   1H2*    A   5          1H2*        A   5 -10.128  -2.508  -0.051
   56   2H2*    A   5          2H2*        A   5  -9.504  -1.318   1.162
   57   1H5*    A   6          1H5*        A   6 -10.351  -0.965   5.371
   58   2H5*    A   6          2H5*        A   6 -10.707   0.697   5.886
   59    H4*    A   6           H4*        A   6  -8.466  -0.024   6.560
   60    H3*    A   6           H3*        A   6  -8.983   2.417   5.256
   61    H1*    A   6           H1*        A   6  -5.867   0.076   5.086
   62    H8     A   6           H8         A   6  -7.673  -0.016   1.533
   63   1H6     A   6          H61         A   6  -2.347  -2.481  -0.439
   64   2H6     A   6          H62         A   6  -4.007  -2.093  -0.884
   65    H2     A   6           H2         A   6  -1.990  -1.676   4.036
   66   1H2*    A   6          1H2*        A   6  -7.803   1.674   3.330
   67   2H2*    A   6          2H2*        A   6  -6.435   2.440   4.255
   68   1H5*    C   7          1H5*        C   7  -5.124   1.522   7.926
   69   2H5*    C   7          2H5*        C   7  -4.784   2.979   8.879
   70    H4*    C   7           H4*        C   7  -2.736   1.693   8.406
   71    H3*    C   7           H3*        C   7  -2.847   4.378   8.305
   72    H1*    C   7           H1*        C   7  -1.179   2.535   5.576
   73   1H4     C   7          H41         C   7  -4.682   2.186  -0.204
   74   2H4     C   7          H42         C   7  -3.135   1.360  -0.403
   75    H5     C   7           H5         C   7  -5.175   3.398   1.982
   76    H6     C   7           H6         C   7  -4.476   3.752   4.275
   77   1H2*    C   7          1H2*        C   7  -3.611   4.301   6.011
   78   2H2*    C   7          2H2*        C   7  -1.902   4.850   5.820
   79   1H5*    A   8          1H5*        A   8   1.798   2.418   8.356
   80   2H5*    A   8          2H5*        A   8   2.464   3.754   9.320
   81    H4*    A   8           H4*        A   8   4.235   2.606   8.085
   82    H3*    A   8           H3*        A   8   4.115   5.261   8.302
   83    H1*    A   8           H1*        A   8   4.564   3.856   4.753
   84    H8     A   8           H8         A   8   0.769   4.228   5.668
   85   1H6     A   8          H61         A   8  -0.432   3.484  -0.389
   86   2H6     A   8          H62         A   8  -1.167   3.664   1.200
   87    H2     A   8           H2         A   8   4.071   3.233   0.275
   88   1H2*    A   8          1H2*        A   8   2.624   5.435   6.443
   89   2H2*    A   8          2H2*        A   8   4.159   6.032   5.714
   90   1H5*  PYP   9          1H5*      PYP   9   7.391   4.214   5.046
   91   2H5*  PYP   9          2H5*      PYP   9   8.885   4.948   5.656
   92    H4*  PYP   9           H4*      PYP   9   8.842   4.963   3.235
   93    H1*  PYP   9           H1*      PYP   9   7.397   7.065   1.357
   94    H1   PYP   9           H1       PYP   9   5.483   8.020   4.539
   95    H2   PYP   9           H2       PYP   9   3.059   7.727   4.732
   96    H3   PYP   9           H3       PYP   9   0.895   7.264   3.742
   97    H4   PYP   9           H4       PYP   9  -0.510   6.758   1.722
   98    H5   PYP   9           H5       PYP   9  -0.689   6.367  -0.646
   99    H6   PYP   9           H6       PYP   9   0.321   6.198  -2.935
  100    H7   PYP   9           H7       PYP   9   2.831   6.498  -3.201
  101    H8   PYP   9           H8       PYP   9   5.036   6.971  -2.216
  102    H9   PYP   9           H9       PYP   9   6.450   7.469  -0.257
  103   2H2*  PYP   9          2H2*      PYP   9   8.253   8.925   2.903
  104   1H2*  PYP   9          1H2*      PYP   9   7.362   8.151   4.259
  105    H3*  PYP   9           H3*      PYP   9   9.453   7.209   4.726
  106   1H5*    G  10          1H5*        G  10   9.895   7.868   0.144
  107   2H5*    G  10          2H5*        G  10  11.080   9.125  -0.256
  108    H4*    G  10           H4*        G  10   9.004   9.416  -1.476
  109    H3*    G  10           H3*        G  10  10.171  11.547  -0.018
  110    H1*    G  10           H1*        G  10   6.709  10.758  -1.047
  111    H8     G  10           H8         G  10   6.337  10.899   2.895
  112    H1     G  10           H1         G  10   0.965  10.328  -0.473
  113   1H2     G  10          H21         G  10   3.075  10.277  -3.358
  114   2H2     G  10          H22         G  10   1.419  10.160  -2.758
  115   1H2*    G  10          1H2*        G  10   8.223  11.623   1.421
  116   2H2*    G  10          2H2*        G  10   7.712  12.763   0.098
  117   1H5*    C  11          1H5*        C  11   8.230  11.536  -4.170
  118   2H5*    C  11          2H5*        C  11   8.906  12.816  -5.193
  119    H4*    C  11           H4*        C  11   6.774  11.941  -6.057
  120    H3*    C  11           H3*        C  11   7.362  14.618  -5.900
  121    H1*    C  11           H1*        C  11   3.948  13.150  -5.131
  122   1H4     C  11          H41         C  11   2.922  14.072   1.536
  123   2H4     C  11          H42         C  11   1.339  13.972   0.769
  124    H5     C  11           H5         C  11   5.019  14.110   0.168
  125    H6     C  11           H6         C  11   5.985  13.855  -2.045
  126   1H2*    C  11          1H2*        C  11   6.096  14.926  -3.905
  127   2H2*    C  11          2H2*        C  11   4.902  15.425  -5.143
  128   1H5*    A  12          1H5*        A  12   3.311  13.905  -8.666
  129   2H5*    A  12          2H5*        A  12   3.598  15.028 -10.010
  130    H4*    A  12           H4*        A  12   1.222  14.783  -9.475
  131    H3*    A  12           H3*        A  12   2.409  17.302  -9.839
  132    H1*    A  12           H1*        A  12  -0.469  16.251  -7.288
  133    H8     A  12           H8         A  12   2.903  17.225  -5.494
  134   1H6     A  12          H61         A  12  -0.425  17.146  -0.276
  135   2H6     A  12          H62         A  12   1.147  17.522  -0.971
  136    H2     A  12           H2         A  12  -3.162  16.089  -3.767
  137   1H2*    A  12          1H2*        A  12   2.215  17.735  -7.517
  138   2H2*    A  12          2H2*        A  12   0.649  18.455  -8.065
  139   1H5*    C  13          1H5*        C  13  -2.060  16.653  -9.141
  140   2H5*    C  13          2H5*        C  13  -3.007  17.534 -10.350
  141    H4*    C  13           H4*        C  13  -4.215  17.415  -8.232
  142    H3*    C  13           H3*        C  13  -3.842  19.788  -9.661
  143    H1*    C  13           H1*        C  13  -3.882  19.544  -6.001
  144   1H4     C  13          H41         C  13   2.194  21.308  -3.473
  145   2H4     C  13          H42         C  13   1.044  21.071  -2.152
  146    H5     C  13           H5         C  13   1.372  21.207  -5.881
  147    H6     C  13           H6         C  13  -0.398  20.567  -7.341
  148    H3T    C  13           H3T        C  13  -5.823  18.918  -8.571
  149   1H2*    C  13          1H2*        C  13  -2.110  20.410  -8.330
  150   2H2*    C  13          2H2*        C  13  -3.448  21.400  -7.623
  151   1H5*    G  14          1H5*        G  14  -4.255  23.742   6.662
  152   2H5*    G  14          2H5*        G  14  -5.061  22.357   7.422
  153    H4*    G  14           H4*        G  14  -6.391  23.294   5.582
  154    H3*    G  14           H3*        G  14  -6.105  20.649   5.943
  155    H1*    G  14           H1*        G  14  -5.537  22.278   2.351
  156    H8     G  14           H8         G  14  -2.142  23.199   3.816
  157    H1     G  14           H1         G  14  -1.907  20.138  -1.770
  158   1H2     G  14          H21         G  14  -5.365  19.444  -1.187
  159   2H2     G  14          H22         G  14  -4.026  19.340  -2.347
  160   1H2*    G  14          1H2*        G  14  -4.156  20.577   4.551
  161   2H2*    G  14          2H2*        G  14  -5.370  19.972   3.375
  162    H5T    G  14           H5T        G  14  -3.054  22.107   5.420
  163   1H5*    T  15          1H5*        T  15  -8.342  21.008   1.409
  164   2H5*    T  15          2H5*        T  15  -9.768  20.077   1.895
  165    H4*    T  15           H4*        T  15  -9.212  19.627  -0.419
  166    H3*    T  15           H3*        T  15  -9.752  17.629   1.399
  167   1H2*    T  15          1H2*        T  15  -7.503  17.218   1.749
  168   2H2*    T  15          2H2*        T  15  -7.910  15.883   0.598
  169    H1*    T  15           H1*        T  15  -7.189  17.357  -1.281
  170    H3     T  15           H3         T  15  -2.780  16.267  -1.178
  171   1H5M    T  15          H51         T  15  -3.884  17.472   3.839
  172   2H5M    T  15          H52         T  15  -2.230  17.648   3.217
  173   3H5M    T  15          H53         T  15  -3.328  19.036   3.186
  174    H6     T  15           H6         T  15  -5.726  18.196   2.071
  175   1H5*    G  16          1H5*        G  16  -8.791  15.520  -2.979
  176   2H5*    G  16          2H5*        G  16  -9.980  14.209  -3.015
  177    H4*    G  16           H4*        G  16  -7.868  13.423  -3.828
  178    H3*    G  16           H3*        G  16  -9.111  12.148  -1.551
  179    H1*    G  16           H1*        G  16  -5.456  12.431  -2.942
  180    H8     G  16           H8         G  16  -5.613  13.610   0.835
  181    H1     G  16           H1         G  16   0.186  13.444  -1.817
  182   1H2     G  16          H21         G  16  -1.485  12.454  -4.805
  183   2H2     G  16          H22         G  16   0.057  12.918  -4.091
  184   1H2*    G  16          1H2*        G  16  -7.113  12.472  -0.385
  185   2H2*    G  16          2H2*        G  16  -6.626  10.930  -1.187
  186   1H5*    C  17          1H5*        C  17  -6.334  11.263  -4.837
  187   2H5*    C  17          2H5*        C  17  -6.631   9.739  -5.691
  188    H4*    C  17           H4*        C  17  -4.340  10.574  -6.031
  189    H3*    C  17           H3*        C  17  -4.907   7.955  -5.609
  190    H1*    C  17           H1*        C  17  -2.038   9.794  -4.125
  191   1H4     C  17          H41         C  17  -2.114   9.854   2.643
  192   2H4     C  17          H42         C  17  -0.472  10.168   2.083
  193    H5     C  17           H5         C  17  -3.981   9.528   1.019
  194    H6     C  17           H6         C  17  -4.656   9.463  -1.254
  195   1H2*    C  17          1H2*        C  17  -4.626   8.179  -3.238
  196   2H2*    C  17          2H2*        C  17  -3.067   7.435  -3.702
  197   1H5*  3DR  18          1H5*      3DR  18  -0.829   9.200  -8.103
  198   2H5*  3DR  18          2H5*      3DR  18  -1.011   7.694  -9.017
  199   1H4*  3DR  18          1H4*      3DR  18   1.157   8.768  -9.400
  200    H3*  3DR  18           H3*      3DR  18   0.813   6.049  -8.960
  201   1H2*  3DR  18          1H2*      3DR  18   1.380   6.222  -6.471
  202   2H2*  3DR  18          2H2*      3DR  18   2.883   5.636  -7.213
  203   1H1*  3DR  18          1H1*      3DR  18   3.677   7.893  -7.566
  204   2H1*  3DR  18          2H1*      3DR  18   2.998   7.931  -5.920
  205   1H5*    T  19          1H5*        T  19   5.103   6.182  -8.326
  206   2H5*    T  19          2H5*        T  19   5.958   4.899  -9.198
  207    H4*    T  19           H4*        T  19   6.496   4.822  -6.832
  208    H3*    T  19           H3*        T  19   5.582   2.569  -8.249
  209   1H2*    T  19          1H2*        T  19   3.571   2.596  -7.030
  210   2H2*    T  19          2H2*        T  19   4.520   1.436  -6.017
  211    H1*    T  19           H1*        T  19   5.247   3.425  -4.649
  212    H3     T  19           H3         T  19   2.106   3.454  -1.458
  213   1H5M    T  19          H51         T  19  -0.700   4.235  -5.784
  214   2H5M    T  19          H52         T  19  -0.596   2.463  -5.865
  215   3H5M    T  19          H53         T  19  -1.389   3.244  -4.479
  216    H6     T  19           H6         T  19   1.862   3.416  -6.250
  217   1H5*    G  20          1H5*        G  20   7.206   2.124  -3.876
  218   2H5*    G  20          2H5*        G  20   8.311   0.739  -3.805
  219    H4*    G  20           H4*        G  20   7.094   1.036  -1.712
  220    H3*    G  20           H3*        G  20   7.175  -1.470  -3.038
  221    H1*    G  20           H1*        G  20   4.716   0.021  -0.720
  222    H8     G  20           H8         G  20   2.607   0.152  -4.130
  223    H1     G  20           H1         G  20  -0.678   0.660   1.300
  224   1H2     G  20          H21         G  20   2.464   0.161   2.934
  225   2H2     G  20          H22         G  20   0.767   0.623   3.154
  226   1H2*    G  20          1H2*        G  20   4.803  -1.396  -3.366
  227   2H2*    G  20          2H2*        G  20   4.929  -2.224  -1.740
  228   1H5*    T  21          1H5*        T  21   6.854  -0.833   1.741
  229   2H5*    T  21          2H5*        T  21   7.801  -2.148   2.465
  230    H4*    T  21           H4*        T  21   6.098  -1.302   4.004
  231    H3*    T  21           H3*        T  21   6.516  -3.997   3.552
  232   1H2*    T  21          1H2*        T  21   4.627  -4.101   2.144
  233   2H2*    T  21          2H2*        T  21   3.890  -4.684   3.685
  234    H1*    T  21           H1*        T  21   3.140  -2.252   4.109
  235    H3     T  21           H3         T  21  -0.784  -2.429   1.848
  236   1H5M    T  21          H51         T  21   1.256  -3.426  -2.200
  237   2H5M    T  21          H52         T  21   2.813  -2.625  -1.962
  238   3H5M    T  21          H53         T  21   2.646  -4.361  -1.620
  239    H6     T  21           H6         T  21   3.771  -3.136   0.535
  240   1H5*    T  22          1H5*        T  22   3.512  -3.139   7.399
  241   2H5*    T  22          2H5*        T  22   3.944  -4.422   8.545
  242    H4*    T  22           H4*        T  22   1.551  -3.949   8.600
  243    H3*    T  22           H3*        T  22   2.604  -6.549   8.325
  244   1H2*    T  22          1H2*        T  22   1.721  -6.702   6.163
  245   2H2*    T  22          2H2*        T  22   0.310  -7.379   7.051
  246    H1*    T  22           H1*        T  22  -0.702  -4.959   6.951
  247    H3     T  22           H3         T  22  -2.637  -4.970   2.920
  248   1H5M    T  22          H51         T  22   2.037  -7.116   1.944
  249   2H5M    T  22          H52         T  22   1.268  -6.108   0.693
  250   3H5M    T  22          H53         T  22   2.481  -5.409   1.783
  251    H6     T  22           H6         T  22   1.856  -5.903   4.306
  252   1H5*    T  23          1H5*        T  23  -2.048  -6.529   9.573
  253   2H5*    T  23          2H5*        T  23  -2.301  -7.993  10.535
  254    H4*    T  23           H4*        T  23  -4.091  -7.683   8.966
  255    H3*    T  23           H3*        T  23  -2.392 -10.087   8.610
  256   1H2*    T  23          1H2*        T  23  -2.423 -10.009   6.627
  257   2H2*    T  23          2H2*        T  23  -4.136 -10.551   6.617
  258    H1*    T  23           H1*        T  23  -4.869  -8.197   6.562
  259    H3     T  23           H3         T  23  -4.492  -7.651   2.075
  260   1H5M    T  23          H51         T  23   0.448  -8.520   3.796
  261   2H5M    T  23          H52         T  23  -0.163 -10.157   3.566
  262   3H5M    T  23          H53         T  23   0.031  -9.104   2.140
  263    H6     T  23           H6         T  23  -1.359  -8.973   5.435
  264   1H5*    G  24          1H5*        G  24  -6.692 -10.232   7.215
  265   2H5*    G  24          2H5*        G  24  -7.473 -11.728   7.762
  266    H4*    G  24           H4*        G  24  -8.055 -11.334   5.481
  267    H3*    G  24           H3*        G  24  -6.919 -13.765   6.261
  268    H1*    G  24           H1*        G  24  -6.877 -12.051   3.012
  269    H8     G  24           H8         G  24  -3.130 -11.921   4.054
  270    H1     G  24           H1         G  24  -4.261 -10.260  -1.998
  271   1H2     G  24          H21         G  24  -7.705 -10.779  -1.255
  272   2H2     G  24          H22         G  24  -6.515 -10.319  -2.474
  273   1H2*    G  24          1H2*        G  24  -4.915 -13.199   5.008
  274   2H2*    G  24          2H2*        G  24  -5.843 -14.197   3.812
  275   1H5*    T  25          1H5*        T  25 -10.407 -13.209   3.336
  276   2H5*    T  25          2H5*        T  25 -11.466 -14.630   3.246
  277    H4*    T  25           H4*        T  25 -11.653 -13.127   1.255
  278    H3*    T  25           H3*        T  25 -11.626 -15.836   1.092
  279   1H2*    T  25          1H2*        T  25  -9.225 -15.868   0.770
  280   2H2*    T  25          2H2*        T  25  -9.809 -16.088  -0.938
  281    H1*    T  25           H1*        T  25  -9.746 -13.622  -1.209
  282    H3     T  25           H3         T  25  -5.523 -13.383  -2.742
  283   1H5M    T  25          H51         T  25  -4.647 -14.516   2.221
  284   2H5M    T  25          H52         T  25  -5.106 -16.178   1.761
  285   3H5M    T  25          H53         T  25  -3.696 -15.398   1.022
  286    H6     T  25           H6         T  25  -7.333 -14.960   1.415
  287   1H5*    G  26          1H5*        G  26 -11.451 -13.800  -3.803
  288   2H5*    G  26          2H5*        G  26 -12.844 -14.815  -4.209
  289    H4*    G  26           H4*        G  26 -11.429 -14.618  -6.150
  290    H3*    G  26           H3*        G  26 -12.341 -17.046  -5.394
  291    H1*    G  26           H1*        G  26  -8.874 -16.628  -6.514
  292    H8     G  26           H8         G  26  -8.243 -17.576  -2.877
  293    H1     G  26           H1         G  26  -3.234 -14.834  -5.724
  294   1H2     G  26          H21         G  26  -5.475 -14.097  -8.388
  295   2H2     G  26          H22         G  26  -3.815 -14.006  -7.820
  296    H3T    G  26           H3T        G  26 -10.374 -16.587  -7.392
  297   1H2*    G  26          1H2*        G  26 -10.333 -17.309  -3.931
  298   2H2*    G  26          2H2*        G  26 -10.020 -18.434  -5.307
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1   3.254 -19.160  -7.768
    2   2H5*    C   1          2H5*        C   1   3.737 -18.176  -9.165
    3    H4*    C   1           H4*        C   1   1.490 -19.125  -9.472
    4    H3*    C   1           H3*        C   1   2.073 -16.549 -10.088
    5    H1*    C   1           H1*        C   1  -1.104 -17.484  -8.319
    6   1H4     C   1          H41         C   1  -0.915 -15.817  -1.736
    7   2H4     C   1          H42         C   1  -2.607 -15.769  -2.193
    8    H5     C   1           H5         C   1   0.874 -16.395  -3.321
    9    H6     C   1           H6         C   1   1.461 -16.963  -5.575
   10   1H2*    C   1          1H2*        C   1   1.384 -15.805  -7.847
   11   2H2*    C   1          2H2*        C   1  -0.037 -15.364  -8.872
   12    H5T    C   1           H5T        C   1   3.175 -16.331  -7.956
   13   1H5*    A   2          1H5*        A   2  -2.733 -16.698 -10.811
   14   2H5*    A   2          2H5*        A   2  -2.869 -15.576 -12.174
   15    H4*    A   2           H4*        A   2  -4.513 -15.012 -10.572
   16    H3*    A   2           H3*        A   2  -2.462 -13.065 -11.237
   17    H1*    A   2           H1*        A   2  -5.000 -13.634  -8.281
   18    H8     A   2           H8         A   2  -1.311 -13.526  -6.936
   19   1H6     A   2          H61         A   2  -3.865 -13.373  -1.356
   20   2H6     A   2          H62         A   2  -2.366 -13.399  -2.274
   21    H2     A   2           H2         A   2  -7.216 -13.760  -4.464
   22   1H2*    A   2          1H2*        A   2  -2.200 -12.640  -8.912
   23   2H2*    A   2          2H2*        A   2  -3.691 -11.657  -9.108
   24   1H5*    C   3          1H5*        C   3  -6.629 -12.797  -9.854
   25   2H5*    C   3          2H5*        C   3  -7.696 -11.559 -10.541
   26    H4*    C   3           H4*        C   3  -8.135 -11.907  -8.141
   27    H3*    C   3           H3*        C   3  -8.013  -9.467  -9.318
   28    H1*    C   3           H1*        C   3  -6.673 -10.279  -6.103
   29   1H4     C   3          H41         C   3  -0.408  -9.710  -4.034
   30   2H4     C   3          H42         C   3  -1.456 -10.192  -2.697
   31    H5     C   3           H5         C   3  -1.394  -9.390  -6.365
   32    H6     C   3           H6         C   3  -3.417  -9.517  -7.733
   33   1H2*    C   3          1H2*        C   3  -5.707  -9.305  -8.876
   34   2H2*    C   3          2H2*        C   3  -6.346  -8.196  -7.620
   35   1H5*    A   4          1H5*        A   4 -10.996  -9.867  -5.428
   36   2H5*    A   4          2H5*        A   4 -11.997  -8.578  -6.123
   37    H4*    A   4           H4*        A   4 -12.541  -9.012  -3.753
   38    H3*    A   4           H3*        A   4 -12.376  -6.478  -4.753
   39    H1*    A   4           H1*        A   4 -10.496  -7.245  -1.508
   40    H8     A   4           H8         A   4  -8.256  -7.438  -4.705
   41   1H6     A   4          H61         A   4  -3.323  -7.953  -0.988
   42   2H6     A   4          H62         A   4  -3.885  -7.976  -2.652
   43    H2     A   4           H2         A   4  -7.120  -7.799   1.578
   44   1H2*    A   4          1H2*        A   4 -10.093  -6.377  -4.399
   45   2H2*    A   4          2H2*        A   4 -10.773  -5.352  -3.069
   46   1H5*    A   5          1H5*        A   5 -12.719  -6.120   0.052
   47   2H5*    A   5          2H5*        A   5 -13.663  -4.660   0.398
   48    H4*    A   5           H4*        A   5 -11.724  -4.807   1.843
   49    H3*    A   5           H3*        A   5 -12.112  -2.407   0.156
   50    H1*    A   5           H1*        A   5  -9.141  -4.017   1.807
   51    H8     A   5           H8         A   5  -8.518  -4.162  -2.126
   52   1H6     A   5          H61         A   5  -2.574  -5.108  -0.723
   53   2H6     A   5          H62         A   5  -3.749  -4.961  -2.022
   54    H2     A   5           H2         A   5  -4.934  -4.607   3.168
   55   1H2*    A   5          1H2*        A   5 -10.120  -2.774  -0.764
   56   2H2*    A   5          2H2*        A   5  -9.701  -1.781   0.708
   57   1H5*    A   6          1H5*        A   6 -10.340  -1.902   4.492
   58   2H5*    A   6          2H5*        A   6 -10.771  -0.324   5.180
   59    H4*    A   6           H4*        A   6  -8.470  -0.971   5.690
   60    H3*    A   6           H3*        A   6  -9.117   1.579   4.602
   61    H1*    A   6           H1*        A   6  -5.952  -0.668   4.252
   62    H8     A   6           H8         A   6  -7.779  -0.574   0.748
   63   1H6     A   6          H61         A   6  -2.231  -2.194  -1.514
   64   2H6     A   6          H62         A   6  -3.914  -1.887  -1.937
   65    H2     A   6           H2         A   6  -1.864  -1.635   2.985
   66   1H2*    A   6          1H2*        A   6  -7.916   1.030   2.635
   67   2H2*    A   6          2H2*        A   6  -6.565   1.755   3.602
   68   1H5*    C   7          1H5*        C   7  -5.075   0.383   6.934
   69   2H5*    C   7          2H5*        C   7  -4.954   1.671   8.149
   70    H4*    C   7           H4*        C   7  -2.754   0.688   7.637
   71    H3*    C   7           H3*        C   7  -3.092   3.326   7.970
   72    H1*    C   7           H1*        C   7  -1.180   2.146   5.038
   73   1H4     C   7          H41         C   7  -4.529   2.277  -0.836
   74   2H4     C   7          H42         C   7  -2.877   1.710  -1.108
   75    H5     C   7           H5         C   7  -5.237   3.010   1.504
   76    H6     C   7           H6         C   7  -4.617   3.087   3.842
   77   1H2*    C   7          1H2*        C   7  -3.796   3.555   5.649
   78   2H2*    C   7          2H2*        C   7  -2.155   4.299   5.621
   79   1H5*    A   8          1H5*        A   8   1.688   1.740   7.905
   80   2H5*    A   8          2H5*        A   8   2.187   2.881   9.170
   81    H4*    A   8           H4*        A   8   4.119   2.096   7.897
   82    H3*    A   8           H3*        A   8   3.873   4.667   8.538
   83    H1*    A   8           H1*        A   8   4.604   3.875   4.861
   84    H8     A   8           H8         A   8   0.737   3.871   5.479
   85   1H6     A   8          H61         A   8   0.055   4.119  -0.672
   86   2H6     A   8          H62         A   8  -0.782   4.063   0.875
   87    H2     A   8           H2         A   8   4.525   4.096   0.321
   88   1H2*    A   8          1H2*        A   8   2.449   5.072   6.623
   89   2H2*    A   8          2H2*        A   8   3.976   5.867   6.102
   90   1H5*  PYP   9          1H5*      PYP   9   7.402   4.120   5.056
   91   2H5*  PYP   9          2H5*      PYP   9   8.722   5.051   5.786
   92    H4*  PYP   9           H4*      PYP   9   8.760   5.291   3.382
   93    H1*  PYP   9           H1*      PYP   9   7.048   7.255   1.609
   94    H1   PYP   9           H1       PYP   9   4.780   7.445   4.672
   95    H2   PYP   9           H2       PYP   9   2.314   7.409   4.562
   96    H3   PYP   9           H3       PYP   9   0.241   7.385   3.280
   97    H4   PYP   9           H4       PYP   9  -0.952   7.375   1.065
   98    H5   PYP   9           H5       PYP   9  -0.873   7.355  -1.343
   99    H6   PYP   9           H6       PYP   9   0.388   7.390  -3.512
  100    H7   PYP   9           H7       PYP   9   2.945   7.404  -3.444
  101    H8   PYP   9           H8       PYP   9   5.028   7.445  -2.176
  102    H9   PYP   9           H9       PYP   9   6.235   7.470  -0.058
  103   2H2*  PYP   9          2H2*      PYP   9   7.407   9.080   3.389
  104   1H2*  PYP   9          1H2*      PYP   9   6.618   7.996   4.588
  105    H3*  PYP   9           H3*      PYP   9   8.875   7.455   5.098
  106   1H5*    G  10          1H5*        G  10   9.263   8.760   0.534
  107   2H5*    G  10          2H5*        G  10  10.371  10.143   0.484
  108    H4*    G  10           H4*        G  10   8.472  10.539  -0.942
  109    H3*    G  10           H3*        G  10   9.234  12.405   1.028
  110    H1*    G  10           H1*        G  10   5.965  11.679  -0.529
  111    H8     G  10           H8         G  10   5.245  10.756   3.242
  112    H1     G  10           H1         G  10   0.239  11.029  -0.677
  113   1H2     G  10          H21         G  10   2.618  11.804  -3.238
  114   2H2     G  10          H22         G  10   0.925  11.472  -2.865
  115   1H2*    G  10          1H2*        G  10   7.166  11.988   2.223
  116   2H2*    G  10          2H2*        G  10   6.676  13.377   1.170
  117   1H5*    C  11          1H5*        C  11   8.278  13.339  -3.364
  118   2H5*    C  11          2H5*        C  11   9.059  14.877  -3.784
  119    H4*    C  11           H4*        C  11   7.298  14.227  -5.400
  120    H3*    C  11           H3*        C  11   7.645  16.743  -4.501
  121    H1*    C  11           H1*        C  11   4.149  15.257  -4.518
  122   1H4     C  11          H41         C  11   2.505  14.001   1.957
  123   2H4     C  11          H42         C  11   1.018  14.024   1.010
  124    H5     C  11           H5         C  11   4.710  14.509   0.894
  125    H6     C  11           H6         C  11   5.896  14.953  -1.187
  126   1H2*    C  11          1H2*        C  11   6.198  16.469  -2.637
  127   2H2*    C  11          2H2*        C  11   5.085  17.294  -3.763
  128   1H5*    A  12          1H5*        A  12   4.674  17.025  -8.370
  129   2H5*    A  12          2H5*        A  12   4.915  18.537  -9.255
  130    H4*    A  12           H4*        A  12   2.539  17.937  -8.878
  131    H3*    A  12           H3*        A  12   3.532  20.565  -8.464
  132    H1*    A  12           H1*        A  12   0.742  18.513  -6.491
  133    H8     A  12           H8         A  12   3.750  19.606  -4.121
  134   1H6     A  12          H61         A  12   0.348  17.010   0.328
  135   2H6     A  12          H62         A  12   1.879  17.801  -0.035
  136    H2     A  12           H2         A  12  -1.821  16.482  -3.649
  137   1H2*    A  12          1H2*        A  12   3.179  20.379  -6.142
  138   2H2*    A  12          2H2*        A  12   1.533  20.992  -6.621
  139   1H5*    C  13          1H5*        C  13  -0.618  18.986  -8.111
  140   2H5*    C  13          2H5*        C  13  -1.618  19.769  -9.342
  141    H4*    C  13           H4*        C  13  -2.977  18.829  -7.531
  142    H3*    C  13           H3*        C  13  -3.421  21.287  -8.605
  143    H1*    C  13           H1*        C  13  -3.522  20.848  -4.932
  144   1H4     C  13          H41         C  13   1.916  23.815  -2.118
  145   2H4     C  13          H42         C  13   0.891  23.143  -0.850
  146    H5     C  13           H5         C  13   1.250  23.588  -4.552
  147    H6     C  13           H6         C  13  -0.311  22.676  -6.110
  148    H3T    C  13           H3T        C  13  -4.698  20.144  -6.296
  149   1H2*    C  13          1H2*        C  13  -1.989  22.324  -7.115
  150   2H2*    C  13          2H2*        C  13  -3.592  22.789  -6.432
  151   1H5*    G  14          1H5*        G  14  -3.393  21.232   8.528
  152   2H5*    G  14          2H5*        G  14  -3.929  19.545   8.587
  153    H4*    G  14           H4*        G  14  -5.671  21.009   7.664
  154    H3*    G  14           H3*        G  14  -5.138  18.605   6.642
  155    H1*    G  14           H1*        G  14  -5.283  21.747   4.195
  156    H8     G  14           H8         G  14  -1.985  22.620   5.671
  157    H1     G  14           H1         G  14  -1.765  21.755  -0.642
  158   1H2     G  14          H21         G  14  -5.011  20.313  -0.227
  159   2H2     G  14          H22         G  14  -3.728  20.709  -1.385
  160   1H2*    G  14          1H2*        G  14  -3.391  19.562   5.250
  161   2H2*    G  14          2H2*        G  14  -4.685  19.304   4.015
  162    H5T    G  14           H5T        G  14  -2.358  20.610   6.476
  163   1H5*    T  15          1H5*        T  15  -7.408  20.784   2.871
  164   2H5*    T  15          2H5*        T  15  -8.906  19.851   3.006
  165    H4*    T  15           H4*        T  15  -8.442  20.423   0.683
  166    H3*    T  15           H3*        T  15  -9.246  17.965   1.439
  167   1H2*    T  15          1H2*        T  15  -7.019  17.214   1.693
  168   2H2*    T  15          2H2*        T  15  -7.458  16.444   0.124
  169    H1*    T  15           H1*        T  15  -6.504  18.348  -1.090
  170    H3     T  15           H3         T  15  -2.134  17.023  -1.106
  171   1H5M    T  15          H51         T  15  -3.615  16.631   3.958
  172   2H5M    T  15          H52         T  15  -1.903  16.734   3.479
  173   3H5M    T  15          H53         T  15  -2.790  18.212   3.850
  174    H6     T  15           H6         T  15  -5.242  17.978   2.421
  175   1H5*    G  16          1H5*        G  16  -8.167  17.216  -3.359
  176   2H5*    G  16          2H5*        G  16  -9.505  16.159  -3.838
  177    H4*    G  16           H4*        G  16  -7.435  15.302  -4.667
  178    H3*    G  16           H3*        G  16  -9.078  13.664  -2.966
  179    H1*    G  16           H1*        G  16  -5.251  13.732  -3.827
  180    H8     G  16           H8         G  16  -5.853  13.955   0.086
  181    H1     G  16           H1         G  16   0.234  13.997  -1.773
  182   1H2     G  16          H21         G  16  -0.995  13.858  -5.105
  183   2H2     G  16          H22         G  16   0.410  14.149  -4.079
  184   1H2*    G  16          1H2*        G  16  -7.237  13.396  -1.541
  185   2H2*    G  16          2H2*        G  16  -6.816  12.053  -2.690
  186   1H5*    C  17          1H5*        C  17  -6.008  12.906  -5.947
  187   2H5*    C  17          2H5*        C  17  -6.208  11.589  -7.115
  188    H4*    C  17           H4*        C  17  -3.867  12.190  -6.721
  189    H3*    C  17           H3*        C  17  -4.689   9.591  -6.889
  190    H1*    C  17           H1*        C  17  -2.080  11.004  -4.647
  191   1H4     C  17          H41         C  17  -3.183   9.855   1.934
  192   2H4     C  17          H42         C  17  -1.493  10.276   1.662
  193    H5     C  17           H5         C  17  -4.757   9.679  -0.017
  194    H6     C  17           H6         C  17  -5.080   9.995  -2.372
  195   1H2*    C  17          1H2*        C  17  -4.784   9.344  -4.512
  196   2H2*    C  17          2H2*        C  17  -3.158   8.654  -4.825
  197   1H5*  3DR  18          1H5*      3DR  18  -0.636  10.079 -10.112
  198   2H5*  3DR  18          2H5*      3DR  18  -1.339   8.503  -9.713
  199   1H4*  3DR  18          1H4*      3DR  18   0.774   8.316 -10.975
  200    H3*  3DR  18           H3*      3DR  18   0.126   6.826  -8.724
  201   1H2*  3DR  18          1H2*      3DR  18   1.420   8.227  -7.135
  202   2H2*  3DR  18          2H2*      3DR  18   2.579   6.919  -7.459
  203   1H1*  3DR  18          1H1*      3DR  18   3.573   8.211  -9.277
  204   2H1*  3DR  18          2H1*      3DR  18   3.267   9.419  -8.009
  205   1H5*    T  19          1H5*        T  19   5.138   7.151  -8.611
  206   2H5*    T  19          2H5*        T  19   5.922   5.859  -9.524
  207    H4*    T  19           H4*        T  19   6.753   6.077  -7.214
  208    H3*    T  19           H3*        T  19   6.137   3.651  -8.402
  209   1H2*    T  19          1H2*        T  19   4.109   3.515  -7.158
  210   2H2*    T  19          2H2*        T  19   5.193   2.506  -6.117
  211    H1*    T  19           H1*        T  19   5.711   4.581  -4.803
  212    H3     T  19           H3         T  19   2.599   4.283  -1.621
  213   1H5M    T  19          H51         T  19  -0.905   4.077  -4.619
  214   2H5M    T  19          H52         T  19  -0.262   5.111  -5.910
  215   3H5M    T  19          H53         T  19  -0.101   3.341  -6.021
  216    H6     T  19           H6         T  19   2.339   4.415  -6.413
  217   1H5*    G  20          1H5*        G  20   7.824   3.138  -4.088
  218   2H5*    G  20          2H5*        G  20   8.927   1.756  -4.018
  219    H4*    G  20           H4*        G  20   7.464   1.826  -2.097
  220    H3*    G  20           H3*        G  20   7.532  -0.530  -3.795
  221    H1*    G  20           H1*        G  20   5.187   0.928  -1.294
  222    H8     G  20           H8         G  20   3.159   1.171  -4.705
  223    H1     G  20           H1         G  20  -0.305   1.098   0.637
  224   1H2     G  20          H21         G  20   2.789   0.560   2.326
  225   2H2     G  20          H22         G  20   1.080   0.987   2.517
  226   1H2*    G  20          1H2*        G  20   5.218  -0.492  -3.925
  227   2H2*    G  20          2H2*        G  20   5.354  -1.330  -2.309
  228   1H5*    T  21          1H5*        T  21   6.860   0.007   0.836
  229   2H5*    T  21          2H5*        T  21   7.882  -1.195   1.646
  230    H4*    T  21           H4*        T  21   6.047  -0.467   3.076
  231    H3*    T  21           H3*        T  21   6.656  -3.154   2.671
  232   1H2*    T  21          1H2*        T  21   4.776  -3.423   1.300
  233   2H2*    T  21          2H2*        T  21   4.057  -3.960   2.866
  234    H1*    T  21           H1*        T  21   3.210  -1.530   3.167
  235    H3     T  21           H3         T  21  -0.694  -2.060   0.885
  236   1H5M    T  21          H51         T  21   2.952  -2.209  -2.863
  237   2H5M    T  21          H52         T  21   2.895  -3.933  -2.430
  238   3H5M    T  21          H53         T  21   1.447  -3.136  -3.073
  239    H6     T  21           H6         T  21   3.901  -2.567  -0.349
  240   1H5*    T  22          1H5*        T  22   3.273  -1.948   6.046
  241   2H5*    T  22          2H5*        T  22   3.847  -2.937   7.398
  242    H4*    T  22           H4*        T  22   1.455  -2.689   7.541
  243    H3*    T  22           H3*        T  22   2.714  -5.142   7.700
  244   1H2*    T  22          1H2*        T  22   2.022  -5.656   5.470
  245   2H2*    T  22          2H2*        T  22   0.730  -6.513   6.377
  246    H1*    T  22           H1*        T  22  -0.737  -4.363   6.039
  247    H3     T  22           H3         T  22  -2.545  -4.788   1.980
  248   1H5M    T  22          H51         T  22   1.545  -5.649  -0.099
  249   2H5M    T  22          H52         T  22   2.631  -4.820   1.024
  250   3H5M    T  22          H53         T  22   2.337  -6.548   1.221
  251    H6     T  22           H6         T  22   1.980  -5.189   3.516
  252   1H5*    T  23          1H5*        T  23  -1.989  -5.304   8.395
  253   2H5*    T  23          2H5*        T  23  -2.286  -6.557   9.611
  254    H4*    T  23           H4*        T  23  -3.974  -6.627   7.965
  255    H3*    T  23           H3*        T  23  -2.172  -8.972   8.018
  256   1H2*    T  23          1H2*        T  23  -2.206  -9.246   6.044
  257   2H2*    T  23          2H2*        T  23  -3.915  -9.818   6.149
  258    H1*    T  23           H1*        T  23  -4.700  -7.552   5.688
  259    H3     T  23           H3         T  23  -4.275  -7.704   1.167
  260   1H5M    T  23          H51         T  23   0.326  -8.814   1.494
  261   2H5M    T  23          H52         T  23   0.667  -7.990   3.065
  262   3H5M    T  23          H53         T  23   0.164  -9.678   3.049
  263    H6     T  23           H6         T  23  -1.138  -8.308   4.724
  264   1H5*    G  24          1H5*        G  24  -6.742  -9.355   6.725
  265   2H5*    G  24          2H5*        G  24  -7.381 -10.728   7.643
  266    H4*    G  24           H4*        G  24  -8.192 -10.895   5.402
  267    H3*    G  24           H3*        G  24  -6.900 -12.980   6.650
  268    H1*    G  24           H1*        G  24  -6.894 -12.222   3.053
  269    H8     G  24           H8         G  24  -3.173 -11.738   4.004
  270    H1     G  24           H1         G  24  -4.434 -10.829  -2.175
  271   1H2     G  24          H21         G  24  -7.864 -11.270  -1.316
  272   2H2     G  24          H22         G  24  -6.685 -11.009  -2.600
  273   1H2*    G  24          1H2*        G  24  -4.912 -12.514   5.325
  274   2H2*    G  24          2H2*        G  24  -5.671 -13.921   4.481
  275   1H5*    T  25          1H5*        T  25 -10.575 -13.408   4.332
  276   2H5*    T  25          2H5*        T  25 -11.548 -14.860   4.626
  277    H4*    T  25           H4*        T  25 -12.049 -13.696   2.463
  278    H3*    T  25           H3*        T  25 -12.078 -16.362   2.726
  279   1H2*    T  25          1H2*        T  25  -9.656 -16.477   2.290
  280   2H2*    T  25          2H2*        T  25 -10.348 -17.070   0.730
  281    H1*    T  25           H1*        T  25 -10.344 -14.747  -0.115
  282    H3     T  25           H3         T  25  -6.269 -14.543  -1.984
  283   1H5M    T  25          H51         T  25  -4.870 -14.626   2.886
  284   2H5M    T  25          H52         T  25  -5.372 -16.340   2.963
  285   3H5M    T  25          H53         T  25  -4.077 -15.811   1.863
  286    H6     T  25           H6         T  25  -7.688 -15.432   2.514
  287   1H5*    G  26          1H5*        G  26 -10.994 -16.851  -1.314
  288   2H5*    G  26          2H5*        G  26 -11.451 -15.436  -2.266
  289    H4*    G  26           H4*        G  26 -12.311 -16.823  -4.065
  290    H3*    G  26           H3*        G  26 -12.907 -18.892  -2.507
  291    H1*    G  26           H1*        G  26  -9.614 -19.201  -4.369
  292    H8     G  26           H8         G  26  -8.664 -18.925  -0.767
  293    H1     G  26           H1         G  26  -4.035 -16.666  -4.510
  294   1H2     G  26          H21         G  26  -6.416 -16.721  -7.148
  295   2H2     G  26          H22         G  26  -4.733 -16.475  -6.711
  296    H3T    G  26           H3T        G  26 -13.030 -18.950  -4.810
  297   1H2*    G  26          1H2*        G  26 -10.667 -18.860  -1.537
  298   2H2*    G  26          2H2*        G  26 -10.641 -20.365  -2.514
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   3.260 -17.591  -8.517
    2   2H5*    C   1          2H5*        C   1   3.687 -16.462  -9.819
    3    H4*    C   1           H4*        C   1   1.438 -17.380 -10.153
    4    H3*    C   1           H3*        C   1   2.037 -14.768 -10.494
    5    H1*    C   1           H1*        C   1  -1.098 -15.820  -8.802
    6   1H4     C   1          H41         C   1  -0.932 -14.865  -2.082
    7   2H4     C   1          H42         C   1  -2.623 -14.816  -2.542
    8    H5     C   1           H5         C   1   0.869 -15.305  -3.718
    9    H6     C   1           H6         C   1   1.458 -15.626  -6.032
   10   1H2*    C   1          1H2*        C   1   1.443 -14.262  -8.184
   11   2H2*    C   1          2H2*        C   1   0.018 -13.663  -9.112
   12    H5T    C   1           H5T        C   1   3.124 -14.758  -8.409
   13   1H5*    A   2          1H5*        A   2  -2.868 -14.504 -11.363
   14   2H5*    A   2          2H5*        A   2  -2.774 -13.200 -12.560
   15    H4*    A   2           H4*        A   2  -4.459 -12.648 -11.012
   16    H3*    A   2           H3*        A   2  -2.145 -10.905 -11.199
   17    H1*    A   2           H1*        A   2  -4.981 -11.578  -8.550
   18    H8     A   2           H8         A   2  -1.409 -12.143  -7.013
   19   1H6     A   2          H61         A   2  -4.229 -12.638  -1.624
   20   2H6     A   2          H62         A   2  -2.714 -12.730  -2.506
   21    H2     A   2           H2         A   2  -7.448 -12.109  -4.876
   22   1H2*    A   2          1H2*        A   2  -2.041 -10.873  -8.837
   23   2H2*    A   2          2H2*        A   2  -3.387  -9.686  -8.976
   24   1H5*    C   3          1H5*        C   3  -6.341 -10.295 -10.093
   25   2H5*    C   3          2H5*        C   3  -7.193  -8.832 -10.621
   26    H4*    C   3           H4*        C   3  -7.900  -9.528  -8.359
   27    H3*    C   3           H3*        C   3  -7.399  -6.956  -9.074
   28    H1*    C   3           H1*        C   3  -6.414  -8.423  -5.946
   29   1H4     C   3          H41         C   3  -0.308  -9.050  -3.493
   30   2H4     C   3          H42         C   3  -1.505  -9.619  -2.329
   31    H5     C   3           H5         C   3  -1.075  -8.203  -5.780
   32    H6     C   3           H6         C   3  -2.974  -7.831  -7.252
   33   1H2*    C   3          1H2*        C   3  -5.139  -7.187  -8.479
   34   2H2*    C   3          2H2*        C   3  -5.736  -6.201  -7.107
   35   1H5*    A   4          1H5*        A   4 -10.645  -7.654  -5.482
   36   2H5*    A   4          2H5*        A   4 -11.476  -6.153  -5.944
   37    H4*    A   4           H4*        A   4 -12.201  -6.988  -3.729
   38    H3*    A   4           H3*        A   4 -11.760  -4.350  -4.216
   39    H1*    A   4           H1*        A   4 -10.091  -5.873  -1.118
   40    H8     A   4           H8         A   4  -7.736  -5.618  -4.212
   41   1H6     A   4          H61         A   4  -3.115  -7.598  -0.562
   42   2H6     A   4          H62         A   4  -3.513  -6.996  -2.162
   43    H2     A   4           H2         A   4  -7.004  -7.545   1.836
   44   1H2*    A   4          1H2*        A   4  -9.491  -4.540  -3.786
   45   2H2*    A   4          2H2*        A   4 -10.127  -3.715  -2.304
   46   1H5*    A   5          1H5*        A   5 -12.172  -4.813   0.562
   47   2H5*    A   5          2H5*        A   5 -12.999  -3.352   1.126
   48    H4*    A   5           H4*        A   5 -11.162  -3.887   2.588
   49    H3*    A   5           H3*        A   5 -11.291  -1.280   1.303
   50    H1*    A   5           H1*        A   5  -8.452  -3.291   2.738
   51    H8     A   5           H8         A   5  -7.776  -2.966  -1.159
   52   1H6     A   5          H61         A   5  -2.047  -4.923   0.115
   53   2H6     A   5          H62         A   5  -3.145  -4.393  -1.150
   54    H2     A   5           H2         A   5  -4.426  -4.724   4.014
   55   1H2*    A   5          1H2*        A   5  -9.256  -1.683   0.327
   56   2H2*    A   5          2H2*        A   5  -8.754  -0.959   1.932
   57   1H5*    A   6          1H5*        A   6  -9.373  -1.083   5.742
   58   2H5*    A   6          2H5*        A   6  -9.766   0.510   6.408
   59    H4*    A   6           H4*        A   6  -7.418  -0.073   6.730
   60    H3*    A   6           H3*        A   6  -8.190   2.412   5.520
   61    H1*    A   6           H1*        A   6  -5.043   0.129   5.226
   62    H8     A   6           H8         A   6  -6.834   0.245   1.672
   63   1H6     A   6          H61         A   6  -1.525  -2.103  -0.453
   64   2H6     A   6          H62         A   6  -3.161  -1.614  -0.880
   65    H2     A   6           H2         A   6  -1.142  -1.504   4.061
   66   1H2*    A   6          1H2*        A   6  -6.986   1.816   3.579
   67   2H2*    A   6          2H2*        A   6  -5.623   2.544   4.541
   68   1H5*    C   7          1H5*        C   7  -4.362   1.639   8.344
   69   2H5*    C   7          2H5*        C   7  -4.047   3.124   9.264
   70    H4*    C   7           H4*        C   7  -1.987   1.802   8.830
   71    H3*    C   7           H3*        C   7  -2.029   4.490   8.720
   72    H1*    C   7           H1*        C   7  -0.413   2.588   6.000
   73   1H4     C   7          H41         C   7  -3.919   2.356   0.220
   74   2H4     C   7          H42         C   7  -2.382   1.519  -0.001
   75    H5     C   7           H5         C   7  -4.389   3.554   2.409
   76    H6     C   7           H6         C   7  -3.689   3.869   4.706
   77   1H2*    C   7          1H2*        C   7  -2.804   4.413   6.424
   78   2H2*    C   7          2H2*        C   7  -1.089   4.920   6.218
   79   1H5*    A   8          1H5*        A   8   2.492   2.127   8.223
   80   2H5*    A   8          2H5*        A   8   3.291   3.350   9.226
   81    H4*    A   8           H4*        A   8   4.917   2.213   7.823
   82    H3*    A   8           H3*        A   8   4.932   4.869   8.137
   83    H1*    A   8           H1*        A   8   5.209   3.503   4.591
   84    H8     A   8           H8         A   8   1.432   4.022   5.473
   85   1H6     A   8          H61         A   8   0.279   3.647  -0.617
   86   2H6     A   8          H62         A   8  -0.439   3.848   0.975
   87    H2     A   8           H2         A   8   4.784   3.240   0.073
   88   1H2*    A   8          1H2*        A   8   3.347   5.140   6.335
   89   2H2*    A   8          2H2*        A   8   4.868   5.718   5.561
   90   1H5*  PYP   9          1H5*      PYP   9   8.031   4.074   4.580
   91   2H5*  PYP   9          2H5*      PYP   9   9.451   5.072   4.950
   92    H4*  PYP   9           H4*      PYP   9   8.921   5.205   2.595
   93    H1*  PYP   9           H1*      PYP   9   7.211   6.629   0.914
   94    H1   PYP   9           H1       PYP   9   5.068   7.394   3.960
   95    H2   PYP   9           H2       PYP   9   2.597   7.205   3.917
   96    H3   PYP   9           H3       PYP   9   0.506   6.938   2.671
   97    H4   PYP   9           H4       PYP   9  -0.706   6.656   0.491
   98    H5   PYP   9           H5       PYP   9  -0.664   6.450  -1.935
   99    H6   PYP   9           H6       PYP   9   0.570   6.374  -4.098
  100    H7   PYP   9           H7       PYP   9   3.117   6.525  -4.081
  101    H8   PYP   9           H8       PYP   9   5.213   6.812  -2.853
  102    H9   PYP   9           H9       PYP   9   6.437   7.100  -0.748
  103   2H2*  PYP   9          2H2*      PYP   9   7.760   8.842   2.149
  104   1H2*  PYP   9          1H2*      PYP   9   6.919   8.139   3.579
  105    H3*  PYP   9           H3*      PYP   9   9.049   7.557   4.283
  106   1H5*    G  10          1H5*        G  10   9.861   8.799  -0.292
  107   2H5*    G  10          2H5*        G  10  10.865  10.253  -0.160
  108    H4*    G  10           H4*        G  10   8.989  10.683  -1.588
  109    H3*    G  10           H3*        G  10   9.480  12.323   0.690
  110    H1*    G  10           H1*        G  10   6.458  11.555  -1.322
  111    H8     G  10           H8         G  10   5.530  10.297   2.304
  112    H1     G  10           H1         G  10   0.738  10.410  -1.882
  113   1H2     G  10          H21         G  10   3.119  11.580  -4.258
  114   2H2     G  10          H22         G  10   1.455  11.053  -3.965
  115   1H2*    G  10          1H2*        G  10   7.350  11.737   1.555
  116   2H2*    G  10          2H2*        G  10   6.881  13.173   0.545
  117   1H5*    C  11          1H5*        C  11   8.016  13.518  -3.659
  118   2H5*    C  11          2H5*        C  11   8.665  15.141  -3.961
  119    H4*    C  11           H4*        C  11   6.765  14.661  -5.421
  120    H3*    C  11           H3*        C  11   7.059  16.981  -3.976
  121    H1*    C  11           H1*        C  11   3.747  15.236  -4.541
  122   1H4     C  11          H41         C  11   1.677  12.984   1.544
  123   2H4     C  11          H42         C  11   0.259  13.080   0.504
  124    H5     C  11           H5         C  11   3.918  13.827   0.760
  125    H6     C  11           H6         C  11   5.204  14.643  -1.127
  126   1H2*    C  11          1H2*        C  11   5.480  16.380  -2.307
  127   2H2*    C  11          2H2*        C  11   4.411  17.252  -3.416
  128   1H5*    A  12          1H5*        A  12   4.163  17.630  -7.863
  129   2H5*    A  12          2H5*        A  12   4.437  19.280  -8.448
  130    H4*    A  12           H4*        A  12   2.100  18.528  -8.697
  131    H3*    A  12           H3*        A  12   2.746  21.053  -7.689
  132    H1*    A  12           H1*        A  12  -0.138  18.631  -6.349
  133    H8     A  12           H8         A  12   2.761  19.345  -3.704
  134   1H6     A  12          H61         A  12  -0.543  15.870   0.161
  135   2H6     A  12          H62         A  12   0.956  16.762  -0.070
  136    H2     A  12           H2         A  12  -2.627  15.864  -3.909
  137   1H2*    A  12          1H2*        A  12   2.210  20.423  -5.495
  138   2H2*    A  12          2H2*        A  12   0.583  21.066  -6.014
  139   1H5*    C  13          1H5*        C  13  -1.300  19.473  -8.272
  140   2H5*    C  13          2H5*        C  13  -2.448  20.561  -9.074
  141    H4*    C  13           H4*        C  13  -3.572  19.032  -7.494
  142    H3*    C  13           H3*        C  13  -4.103  21.745  -7.613
  143    H1*    C  13           H1*        C  13  -3.843  19.935  -4.434
  144   1H4     C  13          H41         C  13   1.573  22.065  -0.904
  145   2H4     C  13          H42         C  13   0.593  20.949   0.056
  146    H5     C  13           H5         C  13   0.550  22.963  -3.098
  147    H6     C  13           H6         C  13  -1.032  22.565  -4.827
  148    H3T    C  13           H3T        C  13  -5.183  19.779  -5.810
  149   1H2*    C  13          1H2*        C  13  -2.562  22.212  -6.018
  150   2H2*    C  13          2H2*        C  13  -4.089  22.336  -5.063
  151   1H5*    G  14          1H5*        G  14  -6.322  20.864   7.874
  152   2H5*    G  14          2H5*        G  14  -7.106  19.279   8.030
  153    H4*    G  14           H4*        G  14  -8.269  20.705   6.421
  154    H3*    G  14           H3*        G  14  -7.827  18.103   5.961
  155    H1*    G  14           H1*        G  14  -6.841  20.775   3.166
  156    H8     G  14           H8         G  14  -3.954  21.489   5.443
  157    H1     G  14           H1         G  14  -2.207  19.550  -0.371
  158   1H2     G  14          H21         G  14  -5.638  18.582  -0.702
  159   2H2     G  14          H22         G  14  -4.086  18.743  -1.546
  160   1H2*    G  14          1H2*        G  14  -5.665  18.591   4.984
  161   2H2*    G  14          2H2*        G  14  -6.614  18.285   3.489
  162    H5T    G  14           H5T        G  14  -4.861  19.767   6.354
  163   1H5*    T  15          1H5*        T  15  -9.358  19.278   1.414
  164   2H5*    T  15          2H5*        T  15 -10.730  18.159   1.349
  165    H4*    T  15           H4*        T  15  -9.566  18.198  -0.760
  166    H3*    T  15           H3*        T  15 -10.152  15.811   0.562
  167   1H2*    T  15          1H2*        T  15  -7.911  15.443   1.071
  168   2H2*    T  15          2H2*        T  15  -8.001  14.509  -0.470
  169    H1*    T  15           H1*        T  15  -7.231  16.589  -1.675
  170    H3     T  15           H3         T  15  -2.779  15.727  -1.098
  171   1H5M    T  15          H51         T  15  -4.716  15.563   3.794
  172   2H5M    T  15          H52         T  15  -3.040  16.089   3.521
  173   3H5M    T  15          H53         T  15  -4.336  17.297   3.633
  174    H6     T  15           H6         T  15  -6.361  16.591   1.972
  175   1H5*    G  16          1H5*        G  16  -8.917  15.252  -4.161
  176   2H5*    G  16          2H5*        G  16 -10.076  14.043  -4.726
  177    H4*    G  16           H4*        G  16  -7.947  13.813  -5.852
  178    H3*    G  16           H3*        G  16  -9.250  11.639  -4.773
  179    H1*    G  16           H1*        G  16  -5.380  12.225  -4.904
  180    H8     G  16           H8         G  16  -6.466  12.112  -1.091
  181    H1     G  16           H1         G  16  -0.328  13.394  -2.244
  182   1H2     G  16          H21         G  16  -1.181  13.330  -5.689
  183   2H2     G  16          H22         G  16   0.048  13.764  -4.502
  184   1H2*    G  16          1H2*        G  16  -7.652  11.571  -2.949
  185   2H2*    G  16          2H2*        G  16  -6.913  10.366  -4.085
  186   1H5*    C  17          1H5*        C  17  -5.497  11.967  -7.303
  187   2H5*    C  17          2H5*        C  17  -5.386  10.792  -8.621
  188    H4*    C  17           H4*        C  17  -3.208  11.705  -7.961
  189    H3*    C  17           H3*        C  17  -3.536   9.063  -8.507
  190    H1*    C  17           H1*        C  17  -1.408  10.488  -5.842
  191   1H4     C  17          H41         C  17  -2.701   8.537   0.464
  192   2H4     C  17          H42         C  17  -1.075   9.212   0.334
  193    H5     C  17           H5         C  17  -4.164   8.388  -1.601
  194    H6     C  17           H6         C  17  -4.402   8.914  -3.911
  195   1H2*    C  17          1H2*        C  17  -3.859   8.505  -6.197
  196   2H2*    C  17          2H2*        C  17  -2.136   8.072  -6.408
  197   1H5*  3DR  18          1H5*      3DR  18  -0.835   7.943 -10.680
  198   2H5*  3DR  18          2H5*      3DR  18  -1.401   6.375 -10.089
  199   1H4*  3DR  18          1H4*      3DR  18   0.656   6.190 -11.419
  200    H3*  3DR  18           H3*      3DR  18   0.276   4.814  -9.074
  201   1H2*  3DR  18          1H2*      3DR  18   1.460   6.588  -7.635
  202   2H2*  3DR  18          2H2*      3DR  18   2.688   5.329  -7.851
  203   1H1*  3DR  18          1H1*      3DR  18   3.541   6.390  -9.850
  204   2H1*  3DR  18          2H1*      3DR  18   3.232   7.763  -8.751
  205   1H5*    T  19          1H5*        T  19   4.517   4.668  -9.193
  206   2H5*    T  19          2H5*        T  19   5.177   3.115  -9.726
  207    H4*    T  19           H4*        T  19   6.486   4.228  -7.885
  208    H3*    T  19           H3*        T  19   6.109   1.556  -8.108
  209   1H2*    T  19          1H2*        T  19   4.077   1.686  -6.835
  210   2H2*    T  19          2H2*        T  19   5.215   1.000  -5.618
  211    H1*    T  19           H1*        T  19   5.711   3.339  -4.844
  212    H3     T  19           H3         T  19   2.616   3.546  -1.656
  213   1H5M    T  19          H51         T  19  -0.084   1.823  -5.809
  214   2H5M    T  19          H52         T  19  -0.897   2.821  -4.591
  215   3H5M    T  19          H53         T  19  -0.235   3.580  -6.059
  216    H6     T  19           H6         T  19   2.361   2.835  -6.398
  217   1H5*    G  20          1H5*        G  20   7.880   2.166  -3.571
  218   2H5*    G  20          2H5*        G  20   9.035   0.827  -3.458
  219    H4*    G  20           H4*        G  20   7.784   1.010  -1.404
  220    H3*    G  20           H3*        G  20   7.883  -1.428  -2.862
  221    H1*    G  20           H1*        G  20   5.450  -0.069  -0.440
  222    H8     G  20           H8         G  20   3.228   0.066  -3.801
  223    H1     G  20           H1         G  20   0.102   0.751   1.696
  224   1H2     G  20          H21         G  20   3.243   0.342   3.324
  225   2H2     G  20          H22         G  20   1.523   0.708   3.504
  226   1H2*    G  20          1H2*        G  20   5.522  -1.381  -3.139
  227   2H2*    G  20          2H2*        G  20   5.707  -2.277  -1.552
  228   1H5*    T  21          1H5*        T  21   7.739  -1.161   1.984
  229   2H5*    T  21          2H5*        T  21   8.604  -2.571   2.617
  230    H4*    T  21           H4*        T  21   6.872  -1.760   4.164
  231    H3*    T  21           H3*        T  21   7.190  -4.442   3.516
  232   1H2*    T  21          1H2*        T  21   5.307  -4.370   2.099
  233   2H2*    T  21          2H2*        T  21   4.507  -4.991   3.592
  234    H1*    T  21           H1*        T  21   3.912  -2.545   4.151
  235    H3     T  21           H3         T  21   0.014  -2.229   1.867
  236   1H5M    T  21          H51         T  21   1.942  -3.470  -2.167
  237   2H5M    T  21          H52         T  21   3.536  -2.728  -1.943
  238   3H5M    T  21          H53         T  21   3.303  -4.454  -1.587
  239    H6     T  21           H6         T  21   4.466  -3.407   0.554
  240   1H5*    T  22          1H5*        T  22   4.147  -3.393   7.189
  241   2H5*    T  22          2H5*        T  22   4.507  -4.653   8.382
  242    H4*    T  22           H4*        T  22   2.178  -3.963   8.508
  243    H3*    T  22           H3*        T  22   2.970  -6.616   8.437
  244   1H2*    T  22          1H2*        T  22   2.259  -6.763   6.151
  245   2H2*    T  22          2H2*        T  22   0.802  -7.438   6.956
  246    H1*    T  22           H1*        T  22  -0.213  -5.021   6.827
  247    H3     T  22           H3         T  22  -2.014  -4.896   2.746
  248   1H5M    T  22          H51         T  22   2.561  -7.337   1.913
  249   2H5M    T  22          H52         T  22   1.882  -6.312   0.626
  250   3H5M    T  22          H53         T  22   3.083  -5.650   1.745
  251    H6     T  22           H6         T  22   2.370  -6.102   4.268
  252   1H5*    T  23          1H5*        T  23  -1.862  -6.077   9.111
  253   2H5*    T  23          2H5*        T  23  -2.286  -7.410  10.198
  254    H4*    T  23           H4*        T  23  -3.988  -7.117   8.554
  255    H3*    T  23           H3*        T  23  -2.470  -9.656   8.423
  256   1H2*    T  23          1H2*        T  23  -2.489  -9.761   6.436
  257   2H2*    T  23          2H2*        T  23  -4.254 -10.141   6.476
  258    H1*    T  23           H1*        T  23  -4.770  -7.769   6.171
  259    H3     T  23           H3         T  23  -4.222  -7.589   1.664
  260   1H5M    T  23          H51         T  23  -0.101 -10.215   3.440
  261   2H5M    T  23          H52         T  23   0.217  -9.231   1.988
  262   3H5M    T  23          H53         T  23   0.592  -8.606   3.640
  263    H6     T  23           H6         T  23  -1.287  -8.845   5.222
  264   1H5*    G  24          1H5*        G  24  -6.875  -9.236   7.037
  265   2H5*    G  24          2H5*        G  24  -7.839 -10.559   7.712
  266    H4*    G  24           H4*        G  24  -8.501 -10.235   5.445
  267    H3*    G  24           H3*        G  24  -7.586 -12.725   6.364
  268    H1*    G  24           H1*        G  24  -7.568 -11.272   2.920
  269    H8     G  24           H8         G  24  -3.806 -11.624   3.940
  270    H1     G  24           H1         G  24  -4.658 -10.001  -2.154
  271   1H2     G  24          H21         G  24  -8.158 -10.001  -1.468
  272   2H2     G  24          H22         G  24  -6.882  -9.774  -2.669
  273   1H2*    G  24          1H2*        G  24  -5.697 -12.568   4.908
  274   2H2*    G  24          2H2*        G  24  -6.886 -13.476   3.870
  275   1H5*    T  25          1H5*        T  25 -11.291 -12.097   3.869
  276   2H5*    T  25          2H5*        T  25 -12.551 -13.344   3.804
  277    H4*    T  25           H4*        T  25 -12.422 -11.960   1.742
  278    H3*    T  25           H3*        T  25 -12.812 -14.642   1.732
  279   1H2*    T  25          1H2*        T  25 -10.416 -15.046   1.518
  280   2H2*    T  25          2H2*        T  25 -10.980 -15.308  -0.188
  281    H1*    T  25           H1*        T  25 -10.561 -12.914  -0.636
  282    H3     T  25           H3         T  25  -6.393 -13.072  -2.145
  283   1H5M    T  25          H51         T  25  -6.250 -15.819   2.427
  284   2H5M    T  25          H52         T  25  -4.783 -15.345   1.558
  285   3H5M    T  25          H53         T  25  -5.458 -14.250   2.763
  286    H6     T  25           H6         T  25  -8.309 -14.426   2.046
  287   1H5*    G  26          1H5*        G  26 -12.052 -13.211  -4.009
  288   2H5*    G  26          2H5*        G  26 -13.536 -14.162  -3.900
  289    H4*    G  26           H4*        G  26 -12.112 -15.107  -5.591
  290    H3*    G  26           H3*        G  26 -13.261 -16.724  -3.722
  291    H1*    G  26           H1*        G  26  -9.848 -17.216  -4.920
  292    H8     G  26           H8         G  26  -9.069 -17.156  -1.327
  293    H1     G  26           H1         G  26  -4.075 -15.289  -4.824
  294   1H2     G  26          H21         G  26  -6.387 -14.941  -7.501
  295   2H2     G  26          H22         G  26  -4.698 -14.868  -7.023
  296    H3T    G  26           H3T        G  26 -11.360 -17.508  -5.685
  297   1H2*    G  26          1H2*        G  26 -11.220 -16.473  -2.311
  298   2H2*    G  26          2H2*        G  26 -11.080 -18.140  -2.993