*HEADER    SIGNALING PROTEIN                       10-JAN-02   1J56              
*TITLE     MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED              
*TITLE    2 NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING ACTIVE           
*TITLE    3 SITE CONTACTS                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NITROGEN REGULATION PROTEIN NR(I);                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN: RECEIVER DOMAIN, RESIDUES 1-            
*COMPND   5 124;                                                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    TWO COMPONENT SIGNAL TRANSDUCTION, RECEIVER DOMAIN, BEF3,             
*KEYWDS   2 PHOSPHORYLATION, BACTERIAL NITROGEN REGULATORY PROTEIN               
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    C.A.HASTINGS, S.-Y.LEE, H.S.CHO, D.YAN, S.KUSTU, D.E.WEMMER           
*REVDAT   1   19-AUG-03 1J56    0                                                

class=NOEDIST
potential NOEDIST softsquare
sqconstant NOEDIST 1
soexponent NOEDIST 2
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assign (resid 2 and name HG#) (resid 2 and name HA)      2.800 1.0 0.0 !   2dnoe30.757
assign (resid 3 and name HN) (resid 2 and name HA)      3.400 1.6 0.0 !   cnoe30.2
assign (resid 3 and name HN) (resid 2 and name HB#)      3.400 1.6 0.0 !   nnoe30.565
assign (resid 3 and name HN) (resid 2 and name HG#)      5.000 3.2 0.0 !   cnoe30.3
assign (resid 3 and name HA) (resid 3 and name HB#)      2.800 1.0 0.0 !   cnoe30.69
assign (resid 3 and name HA) (resid 3 and name HG#)      5.000 3.2 0.0 !   4dccnoe30.371
assign (resid 3 and name HD#) (resid 3 and name HB#)      2.800 1.0 0.0 !   4dccnoe30.183
assign (resid 3 and name HD#) (resid 3 and name HG#)      2.800 1.0 0.0 !   cnoe30.82
assign (resid 3 and name HN) (resid 3 and name HA)      2.800 1.0 0.0 !   nnoe30.104
assign (resid 3 and name HN) (resid 3 and name HB#)      3.400 1.6 0.0 !   4dcnnoe30.8
assign (resid 3 and name HN) (resid 3 and name HG#)      5.000 3.2 0.0 !   nnoe30.683
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assign (resid 4 and name HN) (resid 2 and name HG#)      5.000 3.2 0.0 !   nnoe30.687
assign (resid 4 and name HN) (resid 3 and name HA)      3.400 1.6 0.0 !   cnoe30.65
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assign (resid 4 and name HN) (resid 3 and name HG#)      5.000 3.2 0.0 !   nnoe30.1411
assign (resid 4 and name HN) (resid 3 and name HN)     3.400 1.6 0.0   !
assign (resid 4 and name HN) (resid 4 and name HA#)      2.800 1.0 0.0 !   nnoe30.0
assign (resid 4 and name HN) (resid 5 and name HD1#)      3.400 1.6 0.0 !   nnoe30.572
assign (resid 5 and name HD1#) (resid 3 and name HG#)      3.400 1.6 0.0 !   cnoe30.85
assign (resid 5 and name HG1#) (resid 3 and name HG#)      3.400 1.6 0.0 !   cnoe30.2054
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assign (resid 5 and name HN) (resid 4 and name HA#)      2.800 1.0 0.0 !   cnoe30.49
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assign (resid 5 and name HN) (resid 5 and name HB)      2.800 1.0 0.0 !   nnoe30.7
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assign (resid 5 and name HG2#) (resid 46 and name HE#)      5.000 3.2 0.0 !   cnoe30.967
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assign (resid 6 and name HN) (resid 6 and name HG1#)      2.800 1.0 0.0 !   nnoe30.13
assign (resid 6 and name HB) (resid 23 and name HD##)      3.400 1.6 0.0 !   cnoe30.487
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assign (resid 7 and name HZ3) (resid 43 and name HG)      5.000 3.2 0.0 !   cnoe30.1043
assign (resid 7 and name HH2) (resid 46 and name HB#)      2.800 1.0 0.0 !   2dnoe30.922
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assign (resid 7 and name HZ3) (resid 46 and name HB#)      5.000 3.2 0.0 !   cnoe30.944
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assign (resid 8 and name HN) (resid 8 and name HB)      3.400 1.6 0.0 !   nnoe30.28
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assign (resid 8 and name HG##) (resid 32 and name HG2#)      3.400 1.6 0.0 !   cnoe30.250
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assign (resid 8 and name HG##) (resid 52 and name HD2#)      5.000 3.2 0.0 !   4dccnoe30.203
assign (resid 9 and name HN) (resid 8 and name HA)      2.800 1.0 0.0 !   nnoe30.32
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assign (resid 9 and name HN) (resid 10 and name HN)     5.000 3.2 0.0
assign (resid 9 and name HG##) (resid 33 and name HD#)      4.400 2.6 0.0 !   2dnoe30.564
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assign (resid 9 and name HG##) (resid 39 and name HG##)      5.000 3.2 0.0 !   cnoe30.285
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assign (resid 10 and name HN) (resid 8 and name HG##)      6.000 4.2 0.0 !   nnoe30.735
assign (resid 10 and name HN) (resid 9 and name HA)      3.400 1.6 0.0 !   2dnoe30.786
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assign (resid 15 and name HN) (resid 14 and name HN)     3.400 1.0 0.0
assign (resid 15 and name HD1#) (resid 15 and name HA)      2.800 1.0 0.0 !   2dnoe30.714
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assign (resid 15 and name HN) (resid 15 and name HB)      2.800 1.0 0.0 !   nnoe30.68
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assign (resid 21 and name HN) (resid 20 and name HB#)      3.400 1.6 0.0 !   nnoe30.798
assign (resid 21 and name HN) (resid 20 and name HG#)      3.400 1.6 0.0 !   cnoe30.371
assign (resid 21 and name HA) (resid 21 and name HB#)      2.800 1.0 0.0 !   cnoe30.434
assign (resid 21 and name HA) (resid 21 and name HD#)      3.400 1.6 0.0 !   4dccnoe30.313
assign (resid 21 and name HA) (resid 21 and name HG#)      2.800 1.0 0.0 !   cnoe30.452
assign (resid 21 and name HB#) (resid 21 and name HD#)      3.400 1.6 0.0 !   cnoe30.459
assign (resid 21 and name HG#) (resid 21 and name HB#)      2.800 1.0 0.0 !   cnoe30.431
assign (resid 21 and name HN) (resid 21 and name HA)      2.800 1.0 0.0 !   4dcnnoe30.220
assign (resid 21 and name HN) (resid 21 and name HB#)      2.800 1.0 0.0 !   nnoe30.110
assign (resid 21 and name HN) (resid 21 and name HG#)      2.800 1.0 0.0 !   cnoe30.455
assign (resid 22 and name HN) (resid 19 and name HA)      5.000 3.2 0.0 !   cnoe30.1321
assign (resid 22 and name HN) (resid 21 and name HB#)      2.800 1.0 0.0 !   nnoe30.806
assign (resid 22 and name HN) (resid 21 and name HN)     3.400 1.6 0.0
assign (resid 22 and name HN) (resid 22 and name HA)      2.800 1.0 0.0 !   cnoe30.149
assign (resid 22 and name HN) (resid 22 and name HB#)      2.800 1.0 0.0 !   nnoe30.807
assign (resid 22 and name HN) (resid 23 and name HN)     3.400 1.6 0.0
assign (resid 23 and name HN) (resid 19 and name HA)      5.000 3.2 0.0 !   4dcnnoe30.227
assign (resid 23 and name HB#) (resid 20 and name HA)      5.000 3.2 0.0 !   cnoe30.414
assign (resid 23 and name HN) (resid 22 and name HA)      3.400 1.6 0.0 !   nnoe30.124
assign (resid 23 and name HN) (resid 22 and name HB#)      4.400 2.6 0.0 !   nnoe30.816
assign (resid 23 and name HA) (resid 23 and name HG)      5.000 3.2 0.0 !   cnoe30.480
assign (resid 23 and name HD##) (resid 23 and name HA)      3.400 1.6 0.0 !   cnoe30.2071
assign (resid 23 and name HD##) (resid 23 and name HB#)      3.400 1.6 0.0 !   cnoe30.467
assign (resid 23 and name HN) (resid 23 and name HB#)      3.400 1.6 0.0 !   nnoe30.127
assign (resid 23 and name HA) (resid 26 and name HB#)      3.400 1.6 0.0 !   cnoe30.509
assign (resid 23 and name HD##) (resid 26 and name HB#)      3.400 1.6 0.0 !   cnoe30.510
assign (resid 23 and name HD##) (resid 28 and name HB#)      5.000 3.2 0.0 !   cnoe30.523
assign (resid 23 and name HD##) (resid 28 and name HG)      5.000 3.2 0.0 !   4dccnoe30.96
assign (resid 23 and name HD##) (resid 30 and name HA)      5.000 3.2 0.0 !   cnoe30.191
assign (resid 23 and name HD##) (resid 30 and name HB#)      5.000 3.2 0.0 !   cnoe30.201
assign (resid 24 and name HB#) (resid 21 and name HA)      3.400 1.6 0.0 !   cnoe30.424
assign (resid 24 and name HN) (resid 21 and name HA)      3.400 1.6 0.0 !   nnoe30.133
assign (resid 24 and name HN) (resid 23 and name HA)      3.400 1.6 0.0 !   nnoe30.817
assign (resid 24 and name HN) (resid 23 and name HB#)      3.400 1.6 0.0 !   nnoe30.820
assign (resid 24 and name HN) (resid 23 and name HN)     3.400 1.6 0.0
assign (resid 24 and name HN) (resid 24 and name HA)      2.800 1.0 0.0 !   nnoe30.132
assign (resid 24 and name HN) (resid 24 and name HB#)      2.800 1.0 0.0 !   nnoe30.134
assign (resid 24 and name HB#) (resid 25 and name HA#)      5.000 3.2 0.0 !   cnoe30.156
assign (resid 25 and name HN) (resid 22 and name HA)      3.400 1.6 0.0 !   nnoe30.823
assign (resid 25 and name HN) (resid 23 and name HA)      5.000 3.2 0.0 !   nnoe30.1472
assign (resid 25 and name HN) (resid 23 and name HN)     5.000 3.2 0.0
assign (resid 25 and name HN) (resid 24 and name HA)      5.000 3.2 0.0 !   cnoe30.494
assign (resid 25 and name HN) (resid 24 and name HB#)      5.000 3.2 0.0 !   4dcnnoe30.196
assign (resid 25 and name HN) (resid 24 and name HN)     2.800 1.0 0.0
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assign (resid 26 and name HN) (resid 23 and name HA)      5.000 3.2 0.0 !   nnoe30.830
assign (resid 26 and name HN) (resid 24 and name HA)      5.000 3.2 0.0 !   cnoe30.490
assign (resid 26 and name HN) (resid 25 and name HA#)      3.400 1.6 0.0 !   nnoe30.829
assign (resid 26 and name HN) (resid 25 and name HN)     2.800 1.0 0.0
assign (resid 26 and name HN) (resid 26 and name HA)      2.800 1.0 0.0 !   cnoe30.504
assign (resid 26 and name HN) (resid 26 and name HB#)      2.800 1.0 0.0 !   cnoe30.506
assign (resid 26 and name HB#) (resid 27 and name HN)      4.400 2.6 0.0 !   2dnoe30.558
assign (resid 26 and name HN) (resid 28 and name HD1#)      5.000 3.2 0.0 !   cnoe30.544
assign (resid 26 and name HN) (resid 28 and name HN)     5.000 3.2 0.0
assign (resid 27 and name HN) (resid 24 and name HA)      3.400 1.6 0.0 !   nnoe30.833
assign (resid 27 and name HN) (resid 25 and name HA#)      5.000 3.2 0.0 !   2dnoe30.856
assign (resid 27 and name HN) (resid 26 and name HA)      3.400 1.6 0.0 !   nnoe30.834
assign (resid 27 and name HN) (resid 26 and name HN)     2.800 1.0 0.0
assign (resid 27 and name HN) (resid 27 and name HA#)      2.800 1.0 0.0 !   cnoe30.160
assign (resid 27 and name HN) (resid 28 and name HD1#)      5.000 3.2 0.0 !   cnoe30.543
assign (resid 27 and name HN) (resid 28 and name HN)     3.400 1.6 0.0
assign (resid 28 and name HD1#) (resid 6 and name HN)      6.000 4.2 0.0 !   2dnoe30.665
assign (resid 28 and name HN) (resid 24 and name HA)      2.800 1.0 0.0 !   nnoe30.837
assign (resid 28 and name HD1#) (resid 26 and name HB#)      3.400 1.6 0.0 !   cnoe30.511
assign (resid 28 and name HN) (resid 26 and name HB#)      5.000 3.2 0.0 !   4dcnnoe30.415
assign (resid 28 and name HN) (resid 27 and name HA#)      3.400 1.6 0.0 !   nnoe30.838
assign (resid 28 and name HD1#) (resid 28 and name HA)      5.000 3.2 0.0 !   cnoe30.513
assign (resid 28 and name HD1#) (resid 28 and name HB#)      3.400 1.6 0.0 !   cnoe30.524
assign (resid 28 and name HD2#) (resid 28 and name HA)      4.400 2.6 0.0 !   cnoe30.512
assign (resid 28 and name HD2#) (resid 28 and name HB#)      5.000 3.2 0.0 !   cnoe30.525
assign (resid 28 and name HN) (resid 28 and name HA)      2.800 1.0 0.0 !   nnoe30.156
assign (resid 28 and name HN) (resid 28 and name HB#)      3.400 1.6 0.0 !   nnoe30.839
assign (resid 28 and name HN) (resid 28 and name HD1#)      3.400 1.6 0.0 !   nnoe30.841
assign (resid 28 and name HN) (resid 28 and name HG)      2.800 1.0 0.0 !   4dcnnoe30.53
assign (resid 29 and name HB) (resid 5 and name HA)      3.400 1.6 0.0 !   cnoe30.297
assign (resid 29 and name HG2#) (resid 5 and name HA)      4.400 2.6 0.0 !   2dnoe30.644
assign (resid 29 and name HN) (resid 5 and name HA)      3.400 1.6 0.0 !   nnoe30.845
assign (resid 29 and name HN) (resid 5 and name HG2#)      5.000 3.2 0.0 !   nnoe30.850
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assign (resid 29 and name HN) (resid 28 and name HA)      2.800 1.0 0.0 !   cnoe30.519
assign (resid 29 and name HN) (resid 28 and name HB#)      3.400 1.6 0.0 !   nnoe30.852
assign (resid 29 and name HN) (resid 28 and name HD2#)      5.000 3.2 0.0 !   nnoe30.848
assign (resid 29 and name HA) (resid 29 and name HG2#)      3.400 1.6 0.0 !   cnoe30.178
assign (resid 29 and name HN) (resid 29 and name HB)      2.800 1.0 0.0 !   nnoe30.161
assign (resid 29 and name HN) (resid 29 and name HG2#)      5.000 3.2 0.0 !   cnoe30.180
assign (resid 30 and name HA) (resid 7 and name HD1)      5.000 3.2 0.0 !   2dnoe30.109
assign (resid 30 and name HA) (resid 8 and name HG##)      5.000 3.2 0.0 !   cnoe30.2136
assign (resid 30 and name HB#) (resid 8 and name HG##)      6.000 4.2 0.0 !   4dccnoe30.442
assign (resid 30 and name HA) (resid 29 and name HG2#)      5.000 3.2 0.0 !   cnoe30.179
assign (resid 30 and name HN) (resid 29 and name HA)      2.800 1.0 0.0 !   cnoe30.166
assign (resid 30 and name HN) (resid 29 and name HB)      5.000 3.2 0.0 !   cnoe30.174
assign (resid 30 and name HN) (resid 29 and name HG2#)      4.400 2.6 0.0 !   nnoe30.167
assign (resid 30 and name HN) (resid 29 and name HN)     5.000 3.2 0.0
assign (resid 30 and name HN) (resid 30 and name HB#)      3.400 1.6 0.0 !   nnoe30.164
assign (resid 31 and name HN) (resid 6 and name HG1#)      5.000 3.2 0.0 !   nnoe30.869
assign (resid 31 and name HN) (resid 6 and name HN)     5.000 3.2 0.0
assign (resid 31 and name HB) (resid 7 and name HA)      5.000 3.2 0.0 !   cnoe30.31
assign (resid 31 and name HG2#) (resid 7 and name HA)      5.000 3.2 0.0 !   cnoe30.25
assign (resid 31 and name HN) (resid 7 and name HA)      2.800 1.0 0.0 !   cnoe30.34
assign (resid 31 and name HN) (resid 8 and name HG##)      5.000 3.2 0.0 !   4dcnnoe30.424
assign (resid 31 and name HN) (resid 30 and name HA)      2.800 1.0 0.0 !   cnoe30.185
assign (resid 31 and name HN) (resid 30 and name HB#)      5.000 3.2 0.0 !   cnoe30.194
assign (resid 31 and name HN) (resid 30 and name HN)     5.000 3.2 0.0
assign (resid 31 and name HB) (resid 31 and name HA)      2.800 1.0 0.0 !   2dnoe30.766
assign (resid 31 and name HG2#) (resid 31 and name HA)      4.400 2.6 0.0 !   cnoe30.214
assign (resid 31 and name HN) (resid 31 and name HB)      3.400 1.6 0.0 !   cnoe30.218
assign (resid 31 and name HN) (resid 31 and name HG2#)      5.000 3.2 0.0 !   cnoe30.225
assign (resid 31 and name HN) (resid 32 and name HG2#)      5.000 3.2 0.0 !   cnoe30.241
assign (resid 31 and name HG2#) (resid 33 and name HE#)      3.400 1.6 0.0 !   2dnoe30.45
assign (resid 31 and name HG2#) (resid 33 and name HZ)      3.400 1.6 0.0 !   2dnoe30.59
assign (resid 32 and name HG2#) (resid 12 and name HA)      5.000 3.2 0.0 !      2dnoe30.645
assign (resid 32 and name HG2#) (resid 15 and name HB)      5.000 3.2 0.0 !   4dccnoe30.220
assign (resid 32 and name HN) (resid 16 and name HA)      5.000 3.2 0.0 !   cnoe30.402
assign (resid 32 and name HG2#) (resid 30 and name HA)      6.000 4.2 0.0 !   2dnoe30.592
assign (resid 32 and name HG2#) (resid 31 and name HA)      5.000 3.2 0.0 !   cnoe30.213
assign (resid 32 and name HN) (resid 31 and name HA)      2.800 1.0 0.0 !   cnoe30.212
assign (resid 32 and name HN) (resid 31 and name HB)      5.000 3.2 0.0 !   cnoe30.2039
assign (resid 32 and name HN) (resid 31 and name HG2#)      4.400 2.6 0.0 !   cnoe30.224
assign (resid 32 and name HA) (resid 32 and name HG2#)      3.400 1.6 0.0 !   cnoe30.244
assign (resid 32 and name HN) (resid 32 and name HG2#)      3.400 1.6 0.0 !   cnoe30.243
assign (resid 32 and name HA) (resid 33 and name HD#)      5.000 3.2 0.0 !   2dnoe30.431
assign (resid 32 and name HN) (resid 33 and name HE#)      5.000 3.2 0.0 !   2dnoe30.70
assign (resid 33 and name HE#) (resid 7 and name HB#)      3.400 1.6 0.0 !   2dnoe30.50
assign (resid 33 and name HN) (resid 8 and name HB)      5.000 3.2 0.0 !   cnoe30.330
assign (resid 33 and name HN) (resid 9 and name HA)      5.000 3.2 0.0 !   nnoe30.885
assign (resid 33 and name HN) (resid 9 and name HG##)      5.000 3.2 0.0 !   nnoe30.891
assign (resid 33 and name HN) (resid 32 and name HA)      2.800 1.0 0.0 !   nnoe30.190
assign (resid 33 and name HN) (resid 32 and name HB)      3.400 1.6 0.0 !   nnoe30.1456
assign (resid 33 and name HN) (resid 32 and name HG2#)      5.000 3.2 0.0 !   cnoe30.240
assign (resid 33 and name HN) (resid 33 and name HB#)      5.000 3.2 0.0 !   nnoe30.886
assign (resid 33 and name HN) (resid 33 and name HD#)      3.400 1.6 0.0 !   nnoe30.883
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assign (resid 33 and name HD#) (resid 39 and name HG##)      5.000 3.2 0.0 !   2dnoe30.987
assign (resid 33 and name HD#) (resid 42 and name HB#)      5.000 3.2 0.0 !   cnoe30.993
assign (resid 34 and name HN) (resid 33 and name HA)      2.800 1.0 0.0 !   cnoe30.552
assign (resid 34 and name HN) (resid 33 and name HB#)      5.000 3.2 0.0 !   nnoe30.895
assign (resid 34 and name HA) (resid 34 and name HB#)      2.800 1.0 0.0 !   cnoe30.577
assign (resid 34 and name HG#) (resid 34 and name HA)      5.000 3.2 0.0 !   cnoe30.561
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assign (resid 35 and name HN) (resid 9 and name HG##)      5.000 3.2 0.0 !   nnoe30.912
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assign (resid 35 and name HN) (resid 34 and name HB#)      5.000 3.2 0.0 !   nnoe30.909
assign (resid 35 and name HN) (resid 34 and name HG#)      3.400 1.6 0.0 !   nnoe30.907
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assign (resid 35 and name HB#) (resid 35 and name HA)      2.800 1.0 0.0 !   cnoe30.583
assign (resid 35 and name HN) (resid 35 and name HA)      2.800 1.0 0.0 !   nnoe30.195
assign (resid 35 and name HN) (resid 35 and name HB#)      5.000 3.2 0.0 !   nnoe30.1420
assign (resid 35 and name HN) (resid 38 and name HB#)      5.000 3.2 0.0 !   cnoe30.609
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assign (resid 36 and name HA#) (resid 9 and name HG##)      5.000 3.2 0.0 !   cnoe30.1915
assign (resid 36 and name HN) (resid 35 and name HA)      3.400 1.6 0.0 !   nnoe30.198
assign (resid 37 and name HN) (resid 34 and name HG#)      5.000 3.2 0.0 !   nnoe30.924
assign (resid 37 and name HN) (resid 35 and name HB#)      5.000 3.2 0.0 !   nnoe30.210
assign (resid 37 and name HN) (resid 36 and name HA#)      3.400 1.6 0.0 !   nnoe30.209
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assign (resid 37 and name HB#) (resid 37 and name HA)      2.800 1.0 0.0 !   cnoe30.562
assign (resid 37 and name HD2#) (resid 37 and name HB#)      3.400 1.6 0.0 !   nnoe30.656
assign (resid 37 and name HN) (resid 37 and name HA)      2.800 1.0 0.0 !   nnoe30.207
assign (resid 37 and name HN) (resid 37 and name HB#)      2.800 1.0 0.0 !   nnoe30.211
assign (resid 37 and name HN) (resid 37 and name HD2#)      5.000 3.2 0.0 !   nnoe30.922
assign (resid 37 and name HN) (resid 38 and name HN)     2.800 1.0 0.0
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assign (resid 38 and name HN) (resid 34 and name HG#)      3.400 1.6 0.0 !   cnoe30.1843
assign (resid 38 and name HN) (resid 37 and name HA)      5.000 3.2 0.0 !   nnoe30.936
assign (resid 38 and name HN) (resid 37 and name HB#)      3.400 1.6 0.0 !   cnoe30.590
assign (resid 38 and name HG#) (resid 38 and name HA)      2.800 1.0 0.0 !   cnoe30.603
assign (resid 38 and name HN) (resid 38 and name HA)      2.800 1.0 0.0 !   cnoe30.604
assign (resid 38 and name HN) (resid 38 and name HB#)      2.800 1.0 0.0 !   nnoe30.217
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assign (resid 39 and name HN) (resid 9 and name HG##)      3.400 1.6 0.0 !   4dcnnoe30.101
assign (resid 39 and name HG##) (resid 33 and name HE#)      5.000 3.2 0.0 !   2dnoe30.44
assign (resid 39 and name HN) (resid 38 and name HA)      5.000 3.2 0.0 !   cnoe30.1525
assign (resid 39 and name HN) (resid 38 and name HB#)      3.400 1.6 0.0 !   cnoe30.607
assign (resid 39 and name HG##) (resid 39 and name HA)      5.000 3.2 0.0 !   cnoe30.1018
assign (resid 39 and name HN) (resid 39 and name HB)      3.400 1.6 0.0 !   4dcnnoe30.19
assign (resid 40 and name HN) (resid 37 and name HA)      5.000 3.2 0.0 !   nnoe30.958
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assign (resid 40 and name HN) (resid 39 and name HG##)      5.000 3.2 0.0 !   nnoe30.961
assign (resid 40 and name HN) (resid 39 and name HN)     2.800 1.0 0.0
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assign (resid 40 and name HD1#) (resid 40 and name HA)      5.000 3.2 0.0 !   4dccnoe30.180
assign (resid 40 and name HD1#) (resid 40 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.907
assign (resid 40 and name HD2#) (resid 40 and name HA)      5.000 3.2 0.0 !   4dccnoe30.115
assign (resid 40 and name HN) (resid 40 and name HB#)      3.400 1.6 0.0 !   nnoe30.230
assign (resid 40 and name HN) (resid 40 and name HD2#)      3.400 1.6 0.0 !   nnoe30.228
assign (resid 40 and name HA) (resid 43 and name HD1#)      5.000 3.2 0.0 !   cnoe30.881
assign (resid 40 and name HN) (resid 43 and name HD1#)      5.000 3.2 0.0 !   4dcnnoe30.70
assign (resid 40 and name HD1#) (resid 68 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.167
assign (resid 40 and name HD2#) (resid 68 and name HG#)      5.000 3.2 0.0 !   cnoe30.664
assign (resid 40 and name HD1#) (resid 69 and name HG1#)      5.000 3.2 0.0 !   4dccnoe30.912
assign (resid 40 and name HD2#) (resid 69 and name HA)      5.000 3.2 0.0 !   cnoe30.1531
assign (resid 41 and name HB#) (resid 38 and name HA)      5.000 3.2 0.0 !   cnoe30.601
assign (resid 41 and name HN) (resid 38 and name HA)      5.000 3.2 0.0 !   cnoe30.1524
assign (resid 41 and name HN) (resid 40 and name HB#)      2.800 1.0 0.0 !   nnoe30.963
assign (resid 41 and name HN) (resid 41 and name HB#)      2.800 1.0 0.0 !   cnoe30.1006
assign (resid 42 and name HB#) (resid 7 and name HZ3)      3.400 1.6 0.0 !   2dnoe30.538
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assign (resid 42 and name HB#) (resid 33 and name HZ)      3.400 1.6 0.0 !   2dnoe30.58
assign (resid 42 and name HN) (resid 33 and name HE#)      5.000 3.2 0.0 !   nnoe30.965
assign (resid 42 and name HN) (resid 41 and name HA)      3.400 1.6 0.0 !   cnoe30.999
assign (resid 42 and name HN) (resid 41 and name HB#)      2.800 1.0 0.0 !   cnoe30.1007
assign (resid 42 and name HN) (resid 42 and name HA)      2.800 1.0 0.0 !   cnoe30.988
assign (resid 42 and name HN) (resid 42 and name HB#)      2.800 1.0 0.0 !   nnoe30.236
assign (resid 42 and name HN) (resid 43 and name HG)      5.000 3.2 0.0 !   nnoe30.968
assign (resid 42 and name HN) (resid 43 and name HN)     2.800 1.0 0.0
assign (resid 43 and name HN) (resid 7 and name HE3)      5.000 3.2 0.0 !   nnoe30.975
assign (resid 43 and name HN) (resid 7 and name HZ3)      5.000 3.2 0.0 !   nnoe30.974
assign (resid 43 and name HN) (resid 33 and name HE#)      6.000 4.2 0.0 !   2dnoe30.1087
assign (resid 43 and name HB#) (resid 40 and name HA)      5.000 3.2 0.0 !   4dccnoe30.910
assign (resid 43 and name HN) (resid 40 and name HA)      5.000 3.2 0.0 !   cnoe30.2067
assign (resid 43 and name HA) (resid 42 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.921
assign (resid 43 and name HN) (resid 42 and name HA)      5.000 3.2 0.0 !   cnoe30.987
assign (resid 43 and name HN) (resid 42 and name HB#)      5.000 3.2 0.0 !   cnoe30.990
assign (resid 43 and name HA) (resid 43 and name HD2#)      3.400 1.6 0.0 !   cnoe30.1050
assign (resid 43 and name HB#) (resid 43 and name HD2#)      2.800 1.0 0.0 !   cnoe30.1054
assign (resid 43 and name HD##) (resid 43 and name HA)      3.400 1.6 0.0 !   4dccnoe30.144
assign (resid 43 and name HD##) (resid 43 and name HB#)      2.800 1.0 0.0 !   cnoe30.1038
assign (resid 43 and name HG) (resid 43 and name HA)      5.000 3.2 0.0 !   cnoe30.1026
assign (resid 43 and name HN) (resid 43 and name HB#)      2.800 1.0 0.0 !   cnoe30.1033
assign (resid 43 and name HN) (resid 43 and name HD##)      5.000 3.2 0.0 !   cnoe30.2047
assign (resid 43 and name HN) (resid 43 and name HD2#)      5.000 3.2 0.0 !   cnoe30.2046
assign (resid 43 and name HN) (resid 43 and name HG)      3.400 1.6 0.0 !   nnoe30.244
assign (resid 43 and name HD2#) (resid 47 and name HA)      3.400 1.6 0.0 !   cnoe30.924
assign (resid 43 and name HD1#) (resid 69 and name HG1#)      5.000 3.2 0.0 !   4dccnoe30.787
assign (resid 43 and name HD2#) (resid 76 and name HD##)      5.000 3.2 0.0 !   cnoe30.1247
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assign (resid 44 and name HN) (resid 43 and name HA)      3.400 1.6 0.0 !   nnoe30.250
assign (resid 44 and name HN) (resid 43 and name HB#)      3.400 1.6 0.0 !   nnoe30.253
assign (resid 44 and name HN) (resid 43 and name HG)      5.000 3.2 0.0 !   nnoe30.983
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assign (resid 44 and name HN) (resid 44 and name HA)      2.800 1.0 0.0 !   nnoe30.251
assign (resid 44 and name HN) (resid 44 and name HB#)      2.800 1.0 0.0 !   nnoe30.252
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assign (resid 44 and name HA) (resid 72 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.595
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assign (resid 45 and name HN) (resid 44 and name HA)      3.400 1.6 0.0 !   nnoe30.260
assign (resid 45 and name HN) (resid 44 and name HB#)      5.000 3.2 0.0 !   cnoe30.986
assign (resid 45 and name HN) (resid 45 and name HA)      2.800 1.0 0.0 !   4dcnnoe30.326
assign (resid 45 and name HN) (resid 45 and name HB#)      2.800 1.0 0.0 !   4dcnnoe30.86
assign (resid 45 and name HN) (resid 46 and name HB#)      5.000 3.2 0.0 !   nnoe30.986
assign (resid 45 and name HN) (resid 46 and name HN)     2.800 1.0 0.0
assign (resid 46 and name HD#) (resid 7 and name HH2)      3.400 1.6 0.0 !   2dnoe30.532
assign (resid 46 and name HN) (resid 7 and name HZ3)      5.000 3.2 0.0 !   nnoe30.988
assign (resid 46 and name HN) (resid 43 and name HA)      2.800 1.0 0.0 !   nnoe30.267
assign (resid 46 and name HN) (resid 43 and name HD2#)      5.000 3.2 0.0 !   cnoe30.1052
assign (resid 46 and name HN) (resid 44 and name HA)      5.000 3.2 0.0 !   nnoe30.989
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assign (resid 46 and name HN) (resid 45 and name HB#)      5.000 3.2 0.0 !   nnoe30.269
assign (resid 46 and name HB#) (resid 46 and name HE#)      5.000 3.2 0.0 !   4dccnoe30.692
assign (resid 46 and name HD#) (resid 46 and name HA)      5.000 3.2 0.0 !   cnoe30.939
assign (resid 46 and name HD#) (resid 46 and name HB#)      2.800 1.0 0.0 !   cnoe30.1280
assign (resid 46 and name HD#) (resid 46 and name HE#)      2.800 1.0 0.0 !   cnoe30.969
assign (resid 46 and name HD#) (resid 46 and name HG#)      2.800 1.0 0.0 !   4dccnoe30.33
assign (resid 46 and name HE#) (resid 46 and name HG#)      2.800 1.0 0.0 !   4dccnoe30.235
assign (resid 46 and name HG#) (resid 46 and name HA)      5.000 3.2 0.0 !   cnoe30.938
assign (resid 46 and name HG#) (resid 46 and name HB#)      2.800 1.0 0.0 !   4dccnoe30.143
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assign (resid 46 and name HN) (resid 46 and name HB#)      3.400 1.6 0.0 !   4dcnnoe30.236
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assign (resid 47 and name HN) (resid 46 and name HD#)      3.400 1.6 0.0 !   nnoe30.1423
assign (resid 47 and name HN) (resid 46 and name HG#)      3.400 1.6 0.0 !   cnoe30.959
assign (resid 47 and name HG2#) (resid 47 and name HA)      3.400 1.6 0.0 !   cnoe30.923
assign (resid 47 and name HN) (resid 47 and name HA)      2.800 1.0 0.0 !   nnoe30.279
assign (resid 47 and name HN) (resid 47 and name HB)      3.400 1.6 0.0 !   nnoe30.278
assign (resid 47 and name HN) (resid 47 and name HG2#)      5.000 3.2 0.0 !   cnoe30.1470
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assign (resid 49 and name HA) (resid 47 and name HG2#)      5.000 3.2 0.0 !   4dccnoe30.822
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assign (resid 49 and name HB#) (resid 119 and name HG2#)      5.000 3.2 0.0 !   cnoe30.287
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assign (resid 50 and name HA) (resid 50 and name HG##)      3.400 1.6 0.0 !   cnoe30.830
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assign (resid 50 and name HN) (resid 50 and name HG##)      2.800 1.0 0.0 !   nnoe30.291
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assign (resid 51 and name HD1#) (resid 7 and name HA)      5.000 3.2 0.0 !   cnoe30.27
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assign (resid 51 and name HG) (resid 8 and name HA)      5.000 3.2 0.0 !   cnoe30.2050
assign (resid 51 and name HD1#) (resid 9 and name HG##)      5.000 3.2 0.0 !   cnoe30.1909
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assign (resid 51 and name HB#) (resid 51 and name HD1#)      5.000 3.2 0.0 !   cnoe30.867
assign (resid 51 and name HD1#) (resid 51 and name HA)      5.000 3.2 0.0 !   cnoe30.834
assign (resid 51 and name HG) (resid 51 and name HA)      5.000 3.2 0.0 !   cnoe30.838
assign (resid 51 and name HN) (resid 51 and name HB#)      3.400 1.6 0.0 !   nnoe30.456
assign (resid 51 and name HD2#) (resid 69 and name HD1#)      4.400 2.6 0.0 !   4dccnoe30.93
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assign (resid 51 and name HN) (resid 78 and name HA)      5.000 3.2 0.0 !   cnoe30.1597
assign (resid 52 and name HN) (resid 8 and name HA)      5.000 3.2 0.0 !   cnoe30.321
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assign (resid 52 and name HN) (resid 51 and name HB#)      5.000 3.2 0.0 !   cnoe30.845
assign (resid 52 and name HN) (resid 51 and name HG)      5.000 3.2 0.0 !   cnoe30.862
assign (resid 52 and name HA) (resid 52 and name HD2#)      5.000 3.2 0.0 !   cnoe30.547
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assign (resid 52 and name HB#) (resid 52 and name HD2#)      3.400 1.6 0.0 !   cnoe30.550
assign (resid 52 and name HD1#) (resid 52 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.841
assign (resid 52 and name HN) (resid 52 and name HB#)      3.400 1.6 0.0 !   nnoe30.458
assign (resid 52 and name HN) (resid 52 and name HG)      5.000 3.2 0.0 !   cnoe30.901
assign (resid 52 and name HD2#) (resid 79 and name HB)      3.400 1.6 0.0 !   cnoe30.1618
assign (resid 52 and name HD2#) (resid 79 and name HG2#)      5.000 3.2 0.0 !   cnoe30.1630
assign (resid 52 and name HD2#) (resid 80 and name HA)      5.000 3.2 0.0 !   2dnoe30.626
assign (resid 52 and name HD1#) (resid 111 and name HA)      5.000 3.2 0.0 !   cnoe30.2144
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assign (resid 53 and name HN) (resid 53 and name HB#)      2.800 1.0 0.0 !   nnoe30.465
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assign (resid 53 and name HN) (resid 80 and name HA)      5.000 3.2 0.0 !   nnoe30.464
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assign (resid 55 and name HG1#) (resid 55 and name HA)      3.400 1.6 0.0 !   2dnoe30.646
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assign (resid 55 and name HN) (resid 55 and name HG2#)      5.000 3.2 0.0 !   nnoe30.477
assign (resid 55 and name HD1#) (resid 62 and name HA#)      5.000 3.2 0.0 !   2dnoe30.719
assign (resid 55 and name HN) (resid 80 and name HG2#)      5.000 3.2 0.0 !   nnoe30.478
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assign (resid 56 and name HN) (resid 55 and name HG1#)      5.000 3.2 0.0 !   nnoe30.1064
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assign (resid 57 and name HN) (resid 56 and name HA)      2.800 1.0 0.0 !   nnoe30.1068
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assign (resid 64 and name HN) (resid 64 and name HA)      2.800 1.0 0.0 !   nnoe30.596
assign (resid 64 and name HN) (resid 64 and name HB#)      2.800 1.0 0.0 !   nnoe30.597
assign (resid 64 and name HA) (resid 67 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.737
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assign (resid 68 and name HA) (resid 68 and name HG#)      3.400 1.6 0.0 !   4dccnoe30.325
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assign (resid 69 and name HN) (resid 69 and name HD1#)      5.000 3.2 0.0 !   4dcnnoe30.270
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assign (resid 70 and name HA) (resid 70 and name HG#)      5.000 3.2 0.0 !   4dccnoe30.792
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assign (resid 71 and name HA) (resid 71 and name HB#)      2.800 1.0 0.0 !   4dccnoe30.308
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assign (resid 71 and name HE2#) (resid 71 and name HG#)      5.000 3.2 0.0 !   nnoe30.675
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assign (resid 71 and name HN) (resid 71 and name HB#)      2.800 1.0 0.0 !   nnoe30.556
assign (resid 71 and name HN) (resid 71 and name HE2#)      3.400 1.6 0.0 !   2dnoe30.403
assign (resid 71 and name HN) (resid 71 and name HG#)      5.000 3.2 0.0 !   4dcnnoe30.291
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assign (resid 72 and name HN) (resid 71 and name HB#)      3.400 1.6 0.0 !   2dnoe30.961
assign (resid 72 and name HA) (resid 72 and name HG#)      2.800 1.0 0.0 !   4dccnoe30.349
assign (resid 72 and name HD#) (resid 72 and name HA)      5.000 3.2 0.0 !   cnoe30.1116
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assign (resid 72 and name HG#) (resid 72 and name HD#)      2.800 1.0 0.0 !   cnoe30.1140
assign (resid 72 and name HN) (resid 72 and name HB#)      2.800 1.0 0.0 !   nnoe30.563
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assign (resid 73 and name HN) (resid 69 and name HA)      5.000 3.2 0.0 !   nnoe30.1156
assign (resid 73 and name HN) (resid 69 and name HG2#)      5.000 3.2 0.0 !   nnoe30.1160
assign (resid 73 and name HN) (resid 70 and name HA)      5.000 3.2 0.0 !   nnoe30.1154
assign (resid 73 and name HN) (resid 72 and name HA)      3.400 1.6 0.0 !   4dcnnoe30.246
assign (resid 73 and name HN) (resid 72 and name HB#)      5.000 3.2 0.0 !   nnoe30.1159
assign (resid 73 and name HN) (resid 72 and name HN)     2.800 1.0 0.0
assign (resid 73 and name HD2) (resid 73 and name HB#)      5.000 3.2 0.0 !   2dnoe30.184
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assign (resid 73 and name HN) (resid 73 and name HD2)      3.400 1.6 0.0 !   nnoe30.1152
assign (resid 73 and name HA) (resid 74 and name HD#)      2.800 1.0 0.0 !   cnoe30.1191
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assign (resid 73 and name HB#) (resid 76 and name HD##)      5.000 3.2 0.0 !   cnoe30.1250
assign (resid 74 and name HG#) (resid 73 and name HA)      5.000 3.2 0.0 !   cnoe30.1153
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assign (resid 75 and name HN) (resid 74 and name HA)      5.000 3.2 0.0 !   cnoe30.2058
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assign (resid 75 and name HN) (resid 75 and name HG#)      5.000 3.2 0.0 !   nnoe30.511
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assign (resid 76 and name HN) (resid 75 and name HA)      3.400 1.6 0.0 !   nnoe30.1427
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assign (resid 76 and name HN) (resid 76 and name HB#)      2.800 1.0 0.0 !   nnoe30.503
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assign (resid 79 and name HN) (resid 78 and name HG##)      5.000 3.2 0.0 !   4dcnnoe30.134
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assign (resid 81 and name HG#) (resid 81 and name HA)      5.000 3.2 0.0 !   cnoe30.1271
assign (resid 81 and name HN) (resid 81 and name HB#)      3.400 1.6 0.0 !   nnoe30.518
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assign (resid 82 and name HG2#) (resid 82 and name HA)      5.000 3.2 0.0 !   2dnoe30.280
assign (resid 82 and name HN) (resid 82 and name HB)      3.400 1.6 0.0 !   2dnoe30.844
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assign (resid 87 and name HA) (resid 87 and name HD##)      3.400 1.6 0.0 !   2dnoe30.1030
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assign (resid 87 and name HD2#) (resid 87 and name HA)      3.400 1.6 0.0 !   4dccnoe30.199
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assign (resid 92 and name HN) (resid 91 and name HB)      3.400 1.6 0.0 !   nnoe30.450
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assign (resid 94 and name HN) (resid 94 and name HD#)      3.400 1.6 0.0 !   nnoe30.605
assign (resid 94 and name HE#) (resid 100 and name HA)      5.000 3.2 0.0 !   2dnoe30.799
assign (resid 95 and name HE2#) (resid 92 and name HB#)      2.800 1.0 0.0 !   2dnoe30.807
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assign (resid 95 and name HN) (resid 95 and name HB#)      2.800 1.0 0.0 !   nnoe30.620
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assign (resid 95 and name HE2#) (resid 96 and name HB#)      3.400 1.6 0.0 !   nnoe30.668
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assign (resid 99 and name HB#) (resid 99 and name HA)      2.800 1.0 0.0 !   cnoe30.648
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assign (resid 101 and name HD1) (resid 80 and name HG1#)      5.000 3.2 0.0 !   2dnoe30.48
assign (resid 101 and name HE#) (resid 80 and name HB)      3.400 1.6 0.0 !   2dnoe30.31
assign (resid 101 and name HE1) (resid 80 and name HG1#)      3.400 1.6 0.0 !   2dnoe30.969
assign (resid 101 and name HB#) (resid 83 and name HA)      5.000 3.2 0.0 !   2dnoe30.754
assign (resid 101 and name HD1) (resid 90 and name HA)      5.000 3.2 0.0 !   2dnoe30.305
assign (resid 101 and name HD1) (resid 90 and name HB#)      3.400 1.6 0.0 !   2dnoe30.1070
assign (resid 101 and name HA) (resid 100 and name HB#)      5.000 3.2 0.0 !   2dnoe30.915
assign (resid 101 and name HD1) (resid 100 and name HA)      3.400 1.6 0.0 !   2dnoe30.800
assign (resid 101 and name HN) (resid 100 and name HA)      3.400 1.6 0.0 !   2dnoe30.156
assign (resid 101 and name HN) (resid 100 and name HB#)      3.400 1.6 0.0 !   nnoe30.589
assign (resid 101 and name HD#) (resid 101 and name HA)      3.400 1.6 0.0 !   2dnoe30.25
assign (resid 101 and name HN) (resid 101 and name HB#)      5.000 3.2 0.0 !   nnoe30.1307
assign (resid 101 and name HN) (resid 101 and name HD#)      5.000 3.2 0.0 !   nnoe30.1305
assign (resid 101 and name HN) (resid 102 and name HN)     5.000 3.2 0.0
assign (resid 101 and name HN) (resid 114 and name HD1#)      6.000 4.2 0.0 !   nnoe30.1308
assign (resid 102 and name HB#) (resid 81 and name HA)      5.000 3.2 0.0 !   cnoe30.1269
assign (resid 102 and name HN) (resid 81 and name HA)      5.000 3.2 0.0 !   nnoe30.1463
assign (resid 102 and name HN) (resid 101 and name HA)      2.800 1.0 0.0 !   nnoe30.592
assign (resid 102 and name HN) (resid 101 and name HB#)      5.000 3.2 0.0 !   nnoe30.1312
assign (resid 102 and name HN) (resid 101 and name HD2)      5.000 3.2 0.0 !   nnoe30.1311
assign (resid 102 and name HB#) (resid 102 and name HD1#)      5.000 3.2 0.0 !   cnoe30.1951
assign (resid 102 and name HB#) (resid 102 and name HD2#)      5.000 3.2 0.0 !   cnoe30.1901
assign (resid 102 and name HD1#) (resid 102 and name HA)      5.000 3.2 0.0 !   cnoe30.1564
assign (resid 102 and name HG) (resid 102 and name HA)      5.000 3.2 0.0 !   cnoe30.2083
assign (resid 102 and name HN) (resid 102 and name HB#)      3.400 1.6 0.0 !   nnoe30.1317
assign (resid 102 and name HN) (resid 102 and name HD2#)      5.000 3.2 0.0 !   nnoe30.1518
assign (resid 102 and name HN) (resid 102 and name HG)      5.000 3.2 0.0 !   nnoe30.1316
assign (resid 102 and name HD1#) (resid 103 and name HD#)      5.000 3.2 0.0 !   cnoe30.1572
assign (resid 102 and name HD1#) (resid 106 and name HA)      5.000 3.2 0.0 !   cnoe30.1326
assign (resid 102 and name HD2#) (resid 106 and name HB#)      5.000 3.2 0.0 !   cnoe30.1341
assign (resid 102 and name HD1#) (resid 111 and name HA)      5.000 3.2 0.0 !   cnoe30.1435
assign (resid 102 and name HD2#) (resid 111 and name HA)      5.000 3.2 0.0 !   cnoe30.1434
assign (resid 102 and name HD2#) (resid 111 and name HB#)      5.000 3.2 0.0 !   cnoe30.1443
assign (resid 102 and name HD1#) (resid 114 and name HD2#)      5.000 3.2 0.0 !  4dccnoe30.169
assign (resid 103 and name HD#) (resid 102 and name HA)      3.400 1.6 0.0 !   cnoe30.1563
assign (resid 105 and name HB#) (resid 110 and name HG#)      3.400 1.6 0.0 !   4dccnoe30.17
assign (resid 106 and name HD#) (resid 81 and name HA)      3.400 1.6 0.0 !   2dnoe30.245
assign (resid 106 and name HD#) (resid 102 and name HD2#)      5.000 3.2 0.0 !   cnoe30.1904
assign (resid 106 and name HD#) (resid 102 and name HG)      5.000 3.2 0.0 !   cnoe30.453
assign (resid 106 and name HN) (resid 105 and name HB#)      5.000 3.2 0.0 !   nnoe30.1324
assign (resid 106 and name HD#) (resid 106 and name HA)      5.000 3.2 0.0 !   cnoe30.1328
assign (resid 106 and name HN) (resid 107 and name HB#)      5.000 3.2 0.0 !   cnoe30.1348
assign (resid 106 and name HN) (resid 110 and name HB#)      3.400 1.6 0.0 !   cnoe30.1508
assign (resid 106 and name HN) (resid 110 and name HG#)      3.400 1.6 0.0 !   cnoe30.1429
assign (resid 106 and name HD#) (resid 111 and name HB#)      5.000 3.2 0.0 !   cnoe30.1449
assign (resid 107 and name HN) (resid 106 and name HB#)      2.800 1.0 0.0 !   nnoe30.574
assign (resid 107 and name HN) (resid 106 and name HD#)      5.000 3.2 0.0 !   4dcnnoe30.550
assign (resid 107 and name HB#) (resid 107 and name HA)      2.800 1.0 0.0 !   cnoe30.348
assign (resid 107 and name HN) (resid 107 and name HB#)      3.400 1.6 0.0 !   cnoe30.1350
assign (resid 108 and name HD1#) (resid 18 and name HG1#)      5.000 3.2 0.0 !   4dccnoe30.391
assign (resid 108 and name HA) (resid 19 and name HD##)      5.000 3.2 0.0 !   cnoe30.1946
assign (resid 108 and name HG1#) (resid 19 and name HD##)      5.000 3.2 0.0 !   cnoe30.1943
assign (resid 108 and name HG2#) (resid 19 and name HD##)      6.000 4.2 0.0 !   cnoe30.1945
assign (resid 108 and name HN) (resid 107 and name HA)      2.800 1.0 0.0 !   cnoe30.346
assign (resid 108 and name HN) (resid 107 and name HB#)      5.000 3.2 0.0 !   cnoe30.1349
assign (resid 108 and name HA) (resid 108 and name HB)      2.800 1.0 0.0 !   cnoe30.1368
assign (resid 108 and name HA) (resid 108 and name HD1#)      5.000 3.2 0.0 !   cnoe30.1404
assign (resid 108 and name HA) (resid 108 and name HG1#)      3.400 1.6 0.0 !   cnoe30.1384
assign (resid 108 and name HB) (resid 108 and name HG1#)      2.800 1.0 0.0 !   4dccnoe30.309
assign (resid 108 and name HD1#) (resid 108 and name HB)      3.400 1.6 0.0 !   4dccnoe30.400
assign (resid 108 and name HG2#) (resid 108 and name HA)      3.400 1.6 0.0 !   2dnoe30.647
assign (resid 108 and name HG2#) (resid 108 and name HG1#)      2.800 1.0 0.0 !  cnoe30.1388
assign (resid 108 and name HN) (resid 108 and name HB)      2.800 1.0 0.0 !   cnoe30.1372
assign (resid 108 and name HN) (resid 108 and name HD1#)      5.000 3.2 0.0 !   nnoe30.408
assign (resid 108 and name HG2#) (resid 109 and name HA)      5.000 3.2 0.0 !   cnoe30.1414
assign (resid 108 and name HA) (resid 112 and name HG2#)      5.000 3.2 0.0 !   2dnoe30.1029
assign (resid 108 and name HG1#) (resid 112 and name HG2#)      4.400 2.6 0.0 !  cnoe30.1463
assign (resid 109 and name HN) (resid 108 and name HA)      3.400 1.6 0.0 !   4dcnnoe30.126
assign (resid 109 and name HN) (resid 108 and name HB)      3.400 1.6 0.0 !   nnoe30.1345
assign (resid 109 and name HN) (resid 108 and name HG1#)      5.000 3.2 0.0 !   cnoe30.1391
assign (resid 109 and name HN) (resid 108 and name HG2#)      3.400 1.6 0.0 !   cnoe30.1379
assign (resid 109 and name HN) (resid 108 and name HN)     3.400 1.6 0.0
assign (resid 109 and name HB#) (resid 109 and name HA)      2.800 1.0 0.0 !   cnoe30.1411
assign (resid 109 and name HN) (resid 109 and name HA)      2.800 1.0 0.0 !   cnoe30.1416
assign (resid 109 and name HN) (resid 109 and name HB#)      2.800 1.0 0.0 !   cnoe30.1418
assign (resid 110 and name HG#) (resid 106 and name HA)      5.000 3.2 0.0 !   cnoe30.1325
assign (resid 110 and name HN) (resid 109 and name HA)      5.000 3.2 0.0 !   nnoe30.395
assign (resid 110 and name HN) (resid 109 and name HB#)      3.400 1.6 0.0 !   nnoe30.396
assign (resid 110 and name HA) (resid 110 and name HG#)      3.400 1.6 0.0 !   4dccnoe30.623
assign (resid 110 and name HB#) (resid 110 and name HA)      2.800 1.0 0.0 !   4dccnoe30.50
assign (resid 110 and name HG#) (resid 110 and name HB#)      2.800 1.0 0.0 !   4dccnoe30.346
assign (resid 110 and name HN) (resid 110 and name HA)      2.800 1.0 0.0 !   nnoe30.393
assign (resid 110 and name HN) (resid 110 and name HB#)      2.800 1.0 0.0 !   nnoe30.391
assign (resid 110 and name HN) (resid 110 and name HG#)      3.400 1.6 0.0 !   nnoe30.392
assign (resid 110 and name HN) (resid 111 and name HN)     2.800 1.0 0.0
assign (resid 110 and name HA) (resid 113 and name HB#)      3.400 1.6 0.0 !   4dccnoe30.597
assign (resid 110 and name HN) (resid 113 and name HB#)      5.000 3.2 0.0 !   nnoe30.1348
assign (resid 111 and name HB#) (resid 52 and name HD2#)      5.000 3.2 0.0 !   4dccnoe30.661
assign (resid 111 and name HN) (resid 102 and name HD2#)      6.000 4.2 0.0 !   cnoe30.1906
assign (resid 111 and name HN) (resid 108 and name HA)      3.400 1.6 0.0 !   nnoe30.1497
assign (resid 111 and name HN) (resid 110 and name HA)      3.400 1.6 0.0 !   nnoe30.387
assign (resid 111 and name HN) (resid 110 and name HB#)      3.400 1.6 0.0 !   nnoe30.389
assign (resid 111 and name HN) (resid 110 and name HG#)      5.000 3.2 0.0 !   cnoe30.1432
assign (resid 111 and name HN) (resid 111 and name HA)      2.800 1.0 0.0 !   nnoe30.383
assign (resid 111 and name HN) (resid 111 and name HB#)      2.800 1.0 0.0 !   cnoe30.1450
assign (resid 111 and name HB#) (resid 112 and name HA)      5.000 3.2 0.0 !   4dccnoe30.464
assign (resid 112 and name HN) (resid 108 and name HA)      5.000 3.2 0.0 !   cnoe30.1365
assign (resid 112 and name HN) (resid 108 and name HD1#)      5.000 3.2 0.0 !   cnoe30.1400
assign (resid 112 and name HN) (resid 108 and name HG1#)      5.000 3.2 0.0 !   nnoe30.1361
assign (resid 112 and name HB) (resid 109 and name HA)      3.800 2.0 0.0 !   cnoe30.1410
assign (resid 112 and name HG2#) (resid 109 and name HA)      5.000 3.2 0.0 !   cnoe30.1413
assign (resid 112 and name HN) (resid 109 and name HA)      5.000 3.2 0.0 !   nnoe30.1502
assign (resid 112 and name HN) (resid 111 and name HA)      5.000 3.2 0.0 !   nnoe30.1435
assign (resid 112 and name HN) (resid 111 and name HB#)      5.000 3.2 0.0 !   4dcnnoe30.193
assign (resid 112 and name HN) (resid 111 and name HN)     2.800 1.0 0.0
assign (resid 112 and name HA) (resid 112 and name HG1#)      2.800 1.0 0.0 !   2dnoe30.1053
assign (resid 112 and name HA) (resid 112 and name HG2#)      2.800 1.0 0.0 !   cnoe30.1457
assign (resid 112 and name HN) (resid 112 and name HA)      2.800 1.0 0.0 !   nnoe30.379
assign (resid 112 and name HN) (resid 112 and name HB)      2.800 1.0 0.0 !   cnoe30.571
assign (resid 112 and name HN) (resid 112 and name HG1#)      5.000 3.2 0.0 !   nnoe30.382
assign (resid 112 and name HN) (resid 112 and name HG2#)      2.800 1.0 0.0 !   4dcnnoe30.103
assign (resid 112 and name HA) (resid 115 and name HB)      3.400 1.6 0.0 !   2dnoe30.1016
assign (resid 112 and name HG1#) (resid 116 and name HG#)      5.000 3.2 0.0 !   cnoe30.804
assign (resid 113 and name HN) (resid 109 and name HA)      5.000 3.2 0.0 !   nnoe30.1364
assign (resid 113 and name HN) (resid 110 and name HA)      5.000 3.2 0.0 !   nnoe30.1503
assign (resid 113 and name HN) (resid 111 and name HA)      5.000 3.2 0.0 !   cnoe30.1442
assign (resid 113 and name HA) (resid 112 and name HG1#)      5.000 3.2 0.0 !   4dccnoe30.593
assign (resid 113 and name HN) (resid 112 and name HA)      3.400 1.6 0.0 !   nnoe30.377
assign (resid 113 and name HN) (resid 112 and name HB)      2.800 1.0 0.0 !   nnoe30.378
assign (resid 113 and name HN) (resid 112 and name HG1#)      5.000 3.2 0.0 !   nnoe30.371
assign (resid 113 and name HN) (resid 112 and name HG2#)      5.000 3.2 0.0 !   nnoe30.370
assign (resid 113 and name HN) (resid 112 and name HN)     2.800 1.0 0.0
assign (resid 113 and name HN) (resid 113 and name HA)      2.800 1.0 0.0 !   nnoe30.1504
assign (resid 113 and name HN) (resid 113 and name HB#)      2.800 1.0 0.0 !   nnoe30.373
assign (resid 113 and name HA) (resid 116 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.596
assign (resid 114 and name HD1#) (resid 79 and name HG2#)      5.000 3.2 0.0 !   cnoe30.2077
assign (resid 114 and name HD2#) (resid 79 and name HG2#)      3.400 1.6 0.0 !   cnoe30.1629
assign (resid 114 and name HB#) (resid 111 and name HA)      3.400 1.6 0.0 !   cnoe30.1438
assign (resid 114 and name HD2#) (resid 111 and name HA)      5.000 3.2 0.0 !   cnoe30.1436
assign (resid 114 and name HN) (resid 111 and name HA)      5.000 3.2 0.0 !   nnoe30.1366
assign (resid 114 and name HN) (resid 112 and name HA)      5.000 3.2 0.0 !   nnoe30.1369
assign (resid 114 and name HN) (resid 113 and name HB#)      2.800 1.0 0.0 !   4dcnnoe30.202
assign (resid 114 and name HN) (resid 113 and name HN)     2.800 1.0 0.0
assign (resid 114 and name HA) (resid 114 and name HD1#)      3.400 1.6 0.0 !   cnoe30.1302
assign (resid 114 and name HB#) (resid 114 and name HA)      2.800 1.0 0.0 !   cnoe30.1313
assign (resid 114 and name HB#) (resid 114 and name HD1#)      3.400 1.6 0.0 !   cnoe30.1305
assign (resid 114 and name HD2#) (resid 114 and name HA)      5.000 3.2 0.0 !   cnoe30.1318
assign (resid 114 and name HD2#) (resid 114 and name HB#)      3.400 1.6 0.0 !   cnoe30.1287
assign (resid 114 and name HG) (resid 114 and name HA)      3.400 1.6 0.0 !   cnoe30.1315
assign (resid 114 and name HN) (resid 114 and name HA)      2.800 1.0 0.0 !   cnoe30.1319
assign (resid 114 and name HN) (resid 114 and name HB#)      2.800 1.0 0.0 !   cnoe30.1283
assign (resid 114 and name HN) (resid 114 and name HG)      5.000 3.2 0.0 !   4dcnnoe30.50
assign (resid 114 and name HN) (resid 116 and name HN)     5.000 3.2 0.0
assign (resid 114 and name HG) (resid 118 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.657
assign (resid 115 and name HN) (resid 111 and name HA)      5.000 3.2 0.0 !   nnoe30.1371
assign (resid 115 and name HN) (resid 112 and name HG1#)      5.000 3.4 0.0 !   cnoe30.1471
assign (resid 115 and name HN) (resid 112 and name HN)     5.000 3.2 0.0
assign (resid 115 and name HN) (resid 113 and name HB#)      5.000 3.2 0.0 !   nnoe30.1372
assign (resid 115 and name HN) (resid 114 and name HA)      3.400 1.6 0.0 !   nnoe30.357
assign (resid 115 and name HN) (resid 114 and name HB#)      3.400 1.6 0.0 !   nnoe30.1370
assign (resid 115 and name HN) (resid 114 and name HG)      5.000 3.2 0.0 !   4dcnnoe30.531
assign (resid 115 and name HN) (resid 114 and name HN)     2.800 1.0 0.0
assign (resid 115 and name HG2#) (resid 115 and name HA)      3.400 1.6 0.0 !   4dccnoe30.171
assign (resid 115 and name HN) (resid 115 and name HA)      2.800 1.0 0.0 !   nnoe30.352
assign (resid 115 and name HN) (resid 115 and name HB)      2.800 1.0 0.0 !   nnoe30.353
assign (resid 115 and name HN) (resid 115 and name HG1#)      3.400 1.6 0.0 !   4dcnnoe30.88
assign (resid 115 and name HN) (resid 115 and name HG2#)      5.000 3.2 0.0 !   nnoe30.355
assign (resid 115 and name HA) (resid 118 and name HB#)      5.000 3.2 0.0 !   cnoe30.749
assign (resid 115 and name HG2#) (resid 118 and name HB#)      5.000 3.2 0.0 !   cnoe30.1445
assign (resid 116 and name HN) (resid 113 and name HA)      5.000 3.2 0.0 !   nnoe30.1376
assign (resid 116 and name HN) (resid 113 and name HN)     5.000 3.2 0.0
assign (resid 116 and name HN) (resid 115 and name HB)      5.000 3.2 0.0 !   4dcnnoe30.21
assign (resid 116 and name HN) (resid 115 and name HG1#)      5.000 3.2 0.0 !   cnoe30.1497
assign (resid 116 and name HN) (resid 115 and name HG2#)      5.000 3.2 0.0 !   cnoe30.1498
assign (resid 116 and name HN) (resid 115 and name HN)     2.800 1.0 0.0
assign (resid 116 and name HG#) (resid 116 and name HA)      3.400 1.6 0.0 !   cnoe30.784
assign (resid 116 and name HN) (resid 116 and name HB#)      2.800 1.0 0.0 !   nnoe30.342
assign (resid 116 and name HA) (resid 119 and name HB)      3.400 1.6 0.0 !   cnoe30.717
assign (resid 117 and name HN) (resid 116 and name HB#)      3.400 1.6 0.0 !   4dcnnoe30.46
assign (resid 117 and name HN) (resid 116 and name HN)     3.400 1.6 0.0
assign (resid 117 and name HB#) (resid 117 and name HA)      2.800 1.0 0.0 !   cnoe30.755
assign (resid 117 and name HB#) (resid 117 and name HG#)      2.800 1.0 0.0 !   cnoe30.777
assign (resid 117 and name HG#) (resid 117 and name HA)      5.000 3.2 0.0 !   cnoe30.754
assign (resid 117 and name HN) (resid 117 and name HA)      2.800 1.0 0.0 !   nnoe30.599
assign (resid 117 and name HN) (resid 117 and name HB#)      2.800 1.0 0.0 !   nnoe30.338
assign (resid 117 and name HN) (resid 117 and name HG#)      2.800 1.0 0.0 !   nnoe30.339
assign (resid 118 and name HN) (resid 115 and name HA)      5.000 3.2 0.0 !   cnoe30.1485
assign (resid 118 and name HN) (resid 117 and name HA)      3.400 1.6 0.0 !   4dcnnoe30.396
assign (resid 118 and name HN) (resid 117 and name HB#)      5.000 3.2 0.0 !   2dnoe30.960
assign (resid 118 and name HN) (resid 117 and name HN)     2.800 1.0 0.0
assign (resid 118 and name HN) (resid 118 and name HA)      2.800 1.0 0.0 !   4dcnnoe30.282
assign (resid 118 and name HN) (resid 118 and name HB#)      2.800 1.0 0.0 !   cnoe30.751
assign (resid 118 and name HN) (resid 119 and name HN)     2.800 1.0 0.0
assign (resid 118 and name HA) (resid 121 and name HN)      5.000 3.2 0.0 !   2dnoe30.1099
assign (resid 119 and name HG1#) (resid 50 and name HB)      3.400 1.6 0.0 !   cnoe30.1871
assign (resid 119 and name HG1#) (resid 115 and name HG2#)      5.000 3.2 0.0 !  4dccnoe30.562
assign (resid 119 and name HN) (resid 115 and name HA)      5.000 3.2 0.0 !   2dnoe30.865
assign (resid 119 and name HD1#) (resid 116 and name HA)      5.000 3.2 0.0 !   cnoe30.779
assign (resid 119 and name HD1#) (resid 116 and name HG#)      5.000 3.2 0.0 !   cnoe30.805
assign (resid 119 and name HN) (resid 116 and name HA)      5.000 3.2 0.0 !   cnoe30.788
assign (resid 119 and name HN) (resid 118 and name HA)      5.000 3.2 0.0 !   cnoe30.741
assign (resid 119 and name HN) (resid 118 and name HB#)      5.000 3.2 0.0 !   4dcnnoe30.514
assign (resid 119 and name HA) (resid 119 and name HG1#)      3.400 1.6 0.0 !   4dccnoe30.548
assign (resid 119 and name HA) (resid 119 and name HG2#)      3.400 1.6 0.0 !   cnoe30.288
assign (resid 119 and name HD1#) (resid 119 and name HB)      3.400 1.6 0.0 !   cnoe30.722
assign (resid 119 and name HD1#) (resid 119 and name HG2#)      3.400 1.6 0.0 !  cnoe30.286
assign (resid 119 and name HG1#) (resid 119 and name HG2#)      5.000 3.2 0.0 !  cnoe30.739
assign (resid 119 and name HN) (resid 119 and name HA)      2.800 1.0 0.0 !   nnoe30.325
assign (resid 119 and name HN) (resid 119 and name HB)      2.800 1.0 0.0 !   nnoe30.324
assign (resid 119 and name HN) (resid 119 and name HD1#)      3.400 1.6 0.0 !   nnoe30.321
assign (resid 119 and name HN) (resid 119 and name HG1#)      2.800 1.0 0.0 !   nnoe30.323
assign (resid 119 and name HN) (resid 119 and name HG2#)      5.000 3.2 0.0 !   nnoe30.322
assign (resid 119 and name HG2#) (resid 120 and name HA)      5.000 3.2 0.0 !   cnoe30.1827
assign (resid 119 and name HN) (resid 120 and name HB#)      5.000 3.2 0.0 !   cnoe30.706
assign (resid 119 and name HN) (resid 120 and name HN)     2.800 1.0 0.0
assign (resid 120 and name HN) (resid 117 and name HA)      5.000 3.2 0.0 !   2dnoe30.855
assign (resid 120 and name HN) (resid 119 and name HA)      3.400 1.6 0.0 !   nnoe30.1396
assign (resid 120 and name HN) (resid 119 and name HB)      2.800 1.0 0.0 !   nnoe30.1436
assign (resid 120 and name HN) (resid 119 and name HD1#)      5.000 3.2 0.0 !   nnoe30.1391
assign (resid 120 and name HN) (resid 119 and name HG1#)      5.000 3.2 0.0 !   nnoe30.1392
assign (resid 120 and name HN) (resid 119 and name HG2#)      5.000 3.2 0.0 !   nnoe30.1393
assign (resid 120 and name HB#) (resid 120 and name HA)      2.800 1.0 0.0 !   cnoe30.702
assign (resid 120 and name HN) (resid 120 and name HA)      2.800 1.0 0.0 !   nnoe30.319
assign (resid 120 and name HN) (resid 120 and name HB#)      2.800 1.0 0.0 !   nnoe30.318
assign (resid 120 and name HN) (resid 121 and name HB#)      5.000 3.2 0.0 !   cnoe30.700
assign (resid 120 and name HA) (resid 123 and name HB#)      5.000 3.2 0.0 !   4dccnoe30.531
assign (resid 121 and name HE1) (resid 117 and name HA)      5.000 3.2 0.0 !   cnoe30.756
assign (resid 121 and name HN) (resid 117 and name HA)      5.000 3.2 0.0 !   cnoe30.759
assign (resid 121 and name HN) (resid 120 and name HA)      5.000 3.2 0.0 !   nnoe30.320
assign (resid 121 and name HN) (resid 120 and name HB#)      5.000 3.2 0.0 !   nnoe30.1390
assign (resid 121 and name HN) (resid 120 and name HN)     3.400 1.6 0.0
assign (resid 121 and name HA) (resid 121 and name HB#)      2.800 1.0 0.0 !   cnoe30.694
assign (resid 121 and name HD2) (resid 121 and name HB#)      5.000 3.2 0.0 !   cnoe30.696
assign (resid 121 and name HN) (resid 121 and name HB#)      2.800 1.0 0.0 !   4dcnnoe30.507
assign (resid 122 and name HN) (resid 118 and name HA)      5.000 3.2 0.0 !   2dnoe30.862
assign (resid 122 and name HD#) (resid 119 and name HA)      5.000 3.2 0.0 !   2dnoe30.907
assign (resid 122 and name HN) (resid 119 and name HA)      5.000 3.2 0.0 !   cnoe30.713
assign (resid 122 and name HN) (resid 120 and name HA)      5.000 3.2 0.0 !   nnoe30.1388
assign (resid 122 and name HN) (resid 121 and name HA)      3.400 1.6 0.0 !   4dcnnoe30.241
assign (resid 122 and name HN) (resid 121 and name HB#)      3.400 1.6 0.0 !   4dcnnoe30.29
assign (resid 122 and name HN) (resid 121 and name HN)     3.400 1.6 0.0
assign (resid 122 and name HB#) (resid 122 and name HA)      2.800 1.0 0.0 !   cnoe30.675
assign (resid 122 and name HD#) (resid 122 and name HA)      2.800 1.0 0.0 !   2dnoe30.804
assign (resid 122 and name HD#) (resid 122 and name HB#)      2.800 1.0 0.0 !   2dnoe30.103
assign (resid 122 and name HE#) (resid 122 and name HA)      5.000 3.2 0.0 !   2dnoe30.26
assign (resid 122 and name HN) (resid 122 and name HA)      2.800 1.0 0.0 !   4dcnnoe30.218
assign (resid 122 and name HN) (resid 122 and name HB#)      2.800 1.0 0.0 !   nnoe30.307
assign (resid 122 and name HN) (resid 122 and name HD#)      5.000 3.2 0.0 !   nnoe30.1386
assign (resid 122 and name HN) (resid 123 and name HN)     2.800 1.0 0.0
assign (resid 123 and name HN) (resid 121 and name HA)      5.000 3.2 0.0 !   cnoe30.692
assign (resid 123 and name HN) (resid 122 and name HB#)      3.400 1.6 0.0 !   nnoe30.311
assign (resid 123 and name HA) (resid 123 and name HB#)      2.800 1.0 0.0 !   4dccnoe30.378
assign (resid 123 and name HN) (resid 123 and name HA)      2.800 1.0 0.0 !   nnoe30.300
assign (resid 124 and name HN) (resid 123 and name HA)      3.400 1.6 0.0 !   nnoe30.1380
assign (resid 124 and name HN) (resid 123 and name HB#)      3.400 1.6 0.0 !   nnoe30.1382
assign (resid 124 and name HN) (resid 123 and name HG#)      3.400 1.6 0.0 !   nnoe30.1381
assign (resid 28 and name HD1#) (resid 116 and name HG#)      5.000 3.2 0.0 !   cnoe30.803
assign (resid 116 and name HN) (resid 116 and name HG#)      2.800 1.0 0.0 !   nnoe30.341

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1H        MET   1   8.307 -18.866  -2.427
    2   2H    MET   1          2H        MET   1   8.004 -17.518  -1.405
    3   3H    MET   1          3H        MET   1   9.048 -18.776  -0.885
    4    HA   MET   1           HA       MET   1  10.322 -16.890  -1.545
    5   1HB   MET   1          1HB       MET   1  10.603 -19.518  -2.451
    6   2HB   MET   1          2HB       MET   1  10.886 -18.552  -3.887
    7   1HG   MET   1          1HG       MET   1  12.930 -18.023  -3.199
    8   2HG   MET   1          2HG       MET   1  12.329 -17.477  -1.631
    9   1HE   MET   1          1HE       MET   1  12.492 -21.491  -3.064
   10   2HE   MET   1          2HE       MET   1  14.234 -21.332  -2.868
   11   3HE   MET   1          3HE       MET   1  13.354 -20.183  -3.874
   12    H    GLN   2           H        GLN   2  10.030 -14.990  -2.478
   13    HA   GLN   2           HA       GLN   2   8.909 -14.925  -5.198
   14   1HB   GLN   2          1HB       GLN   2   8.180 -13.122  -2.886
   15   2HB   GLN   2          2HB       GLN   2   7.668 -12.861  -4.550
   16   1HG   GLN   2          1HG       GLN   2   5.841 -13.990  -3.865
   17   2HG   GLN   2          2HG       GLN   2   6.848 -15.396  -4.218
   18   1HE2  GLN   2          1HE2      GLN   2   5.647 -13.304  -1.692
   19   2HE2  GLN   2          2HE2      GLN   2   5.907 -14.412  -0.389
   20    H    ARG   3           H        ARG   3   9.212 -12.553  -6.099
   21    HA   ARG   3           HA       ARG   3  12.031 -11.872  -5.612
   22   1HB   ARG   3          1HB       ARG   3  12.105 -10.951  -7.855
   23   2HB   ARG   3          2HB       ARG   3  11.477 -12.595  -7.914
   24   1HG   ARG   3          1HG       ARG   3   9.350 -10.662  -7.622
   25   2HG   ARG   3          2HG       ARG   3  10.345 -10.316  -9.036
   26   1HD   ARG   3          1HD       ARG   3  10.065 -12.994  -9.276
   27   2HD   ARG   3          2HD       ARG   3   8.541 -12.584  -8.478
   28    HE   ARG   3           HE       ARG   3   8.855 -10.765 -10.551
   29   1HH1  ARG   3          1HH1      ARG   3   8.466 -14.217 -10.264
   30   2HH1  ARG   3          2HH1      ARG   3   7.758 -14.383 -11.830
   31   1HH2  ARG   3          1HH2      ARG   3   7.930 -11.002 -12.585
   32   2HH2  ARG   3          2HH2      ARG   3   7.461 -12.567 -13.141
   33    H    GLY   4           H        GLY   4  10.067 -10.886  -3.845
   34   1HA   GLY   4          1HA       GLY   4   9.231  -8.956  -2.909
   35   2HA   GLY   4          2HA       GLY   4  10.762  -8.284  -3.437
   36    H    ILE   5           H        ILE   5   7.359  -8.321  -3.898
   37    HA   ILE   5           HA       ILE   5   7.700  -6.344  -6.063
   38    HB   ILE   5           HB       ILE   5   5.346  -8.203  -5.697
   39   1HG1  ILE   5          1HG1      ILE   5   6.607  -8.559  -8.213
   40   2HG1  ILE   5          2HG1      ILE   5   7.883  -8.586  -7.000
   41   1HG2  ILE   5          1HG2      ILE   5   5.877  -5.848  -7.409
   42   2HG2  ILE   5          2HG2      ILE   5   4.366  -6.442  -6.724
   43   3HG2  ILE   5          3HG2      ILE   5   5.042  -7.212  -8.154
   44   1HD1  ILE   5          1HD1      ILE   5   7.145 -10.513  -6.064
   45   2HD1  ILE   5          2HD1      ILE   5   6.566 -10.766  -7.711
   46   3HD1  ILE   5          3HD1      ILE   5   5.458 -10.198  -6.463
   47    H    VAL   6           H        VAL   6   7.548  -4.435  -4.968
   48    HA   VAL   6           HA       VAL   6   5.290  -4.099  -3.100
   49    HB   VAL   6           HB       VAL   6   7.372  -3.574  -2.024
   50   1HG1  VAL   6          1HG1      VAL   6   8.276  -1.280  -3.440
   51   2HG1  VAL   6          2HG1      VAL   6   8.121  -2.616  -4.578
   52   3HG1  VAL   6          3HG1      VAL   6   9.120  -2.798  -3.138
   53   1HG2  VAL   6          1HG2      VAL   6   6.181  -0.895  -2.717
   54   2HG2  VAL   6          2HG2      VAL   6   6.935  -1.400  -1.206
   55   3HG2  VAL   6          3HG2      VAL   6   5.364  -2.054  -1.668
   56    H    TRP   7           H        TRP   7   3.620  -2.828  -3.617
   57    HA   TRP   7           HA       TRP   7   3.924  -1.009  -5.930
   58   1HB   TRP   7          1HB       TRP   7   1.615  -2.738  -5.057
   59   2HB   TRP   7          2HB       TRP   7   1.356  -1.342  -6.098
   60    HD1  TRP   7           HD1      TRP   7   4.592  -2.874  -6.967
   61    HE1  TRP   7           HE1      TRP   7   4.380  -4.332  -9.072
   62    HE3  TRP   7           HE3      TRP   7  -0.510  -3.167  -7.254
   63    HZ2  TRP   7           HZ2      TRP   7   2.322  -5.468 -10.648
   64    HZ3  TRP   7           HZ3      TRP   7  -1.515  -4.465  -9.090
   65    HH2  TRP   7           HH2      TRP   7  -0.129  -5.591 -10.749
   66    H    VAL   8           H        VAL   8   3.585   1.117  -5.574
   67    HA   VAL   8           HA       VAL   8   2.259   1.910  -3.044
   68    HB   VAL   8           HB       VAL   8   4.283   3.698  -4.329
   69   1HG1  VAL   8          1HG1      VAL   8   2.794   4.163  -2.231
   70   2HG1  VAL   8          2HG1      VAL   8   4.482   4.660  -2.252
   71   3HG1  VAL   8          3HG1      VAL   8   4.009   3.190  -1.403
   72   1HG2  VAL   8          1HG2      VAL   8   5.653   1.840  -4.313
   73   2HG2  VAL   8          2HG2      VAL   8   4.878   1.152  -2.887
   74   3HG2  VAL   8          3HG2      VAL   8   5.958   2.532  -2.722
   75    H    VAL   9           H        VAL   9   1.198   4.014  -3.043
   76    HA   VAL   9           HA       VAL   9   0.618   5.216  -5.620
   77    HB   VAL   9           HB       VAL   9  -1.893   4.901  -4.219
   78   1HG1  VAL   9          1HG1      VAL   9  -2.558   4.086  -6.498
   79   2HG1  VAL   9          2HG1      VAL   9  -0.875   4.292  -6.977
   80   3HG1  VAL   9          3HG1      VAL   9  -1.815   5.684  -6.450
   81   1HG2  VAL   9          1HG2      VAL   9  -2.166   2.479  -4.989
   82   2HG2  VAL   9          2HG2      VAL   9  -1.290   2.765  -3.494
   83   3HG2  VAL   9          3HG2      VAL   9  -0.405   2.406  -4.974
   84    H    ASP  10           H        ASP  10   1.292   7.148  -5.143
   85    HA   ASP  10           HA       ASP  10  -0.200   8.976  -3.638
   86   1HB   ASP  10          1HB       ASP  10   0.765   7.817  -1.698
   87   2HB   ASP  10          2HB       ASP  10   2.384   8.058  -2.336
   88    H    ASP  11           H        ASP  11   0.043  10.566  -5.100
   89    HA   ASP  11           HA       ASP  11   0.999  12.193  -6.388
   90   1HB   ASP  11          1HB       ASP  11   2.493  12.666  -4.514
   91   2HB   ASP  11          2HB       ASP  11   3.553  11.351  -4.999
   92    H    ASP  12           H        ASP  12   3.185   9.404  -6.219
   93    HA   ASP  12           HA       ASP  12   3.748   7.859  -7.796
   94   1HB   ASP  12          1HB       ASP  12   1.828   8.192  -9.204
   95   2HB   ASP  12          2HB       ASP  12   2.456   9.726  -9.795
   96    H    SER  13           H        SER  13   4.286  10.368 -10.145
   97    HA   SER  13           HA       SER  13   6.835   9.926 -10.732
   98   1HB   SER  13          1HB       SER  13   5.240  11.772 -11.583
   99   2HB   SER  13          2HB       SER  13   6.058  12.798 -10.400
  100    HG   SER  13           HG       SER  13   7.133  12.925 -12.384
  101    H    SER  14           H        SER  14   5.993  12.114  -8.005
  102    HA   SER  14           HA       SER  14   8.763  12.452  -7.324
  103   1HB   SER  14          1HB       SER  14   6.528  13.895  -6.753
  104   2HB   SER  14          2HB       SER  14   6.782  13.055  -5.225
  105    HG   SER  14           HG       SER  14   9.012  13.831  -5.366
  106    H    ILE  15           H        ILE  15   6.102  10.904  -5.461
  107    HA   ILE  15           HA       ILE  15   7.735   9.725  -3.517
  108    HB   ILE  15           HB       ILE  15   5.083   8.735  -4.581
  109   1HG1  ILE  15          1HG1      ILE  15   5.118  11.043  -3.602
  110   2HG1  ILE  15          2HG1      ILE  15   4.073   9.912  -2.752
  111   1HG2  ILE  15          1HG2      ILE  15   6.351   8.047  -1.936
  112   2HG2  ILE  15          2HG2      ILE  15   6.415   7.002  -3.356
  113   3HG2  ILE  15          3HG2      ILE  15   4.862   7.399  -2.622
  114   1HD1  ILE  15          1HD1      ILE  15   5.886  11.559  -1.583
  115   2HD1  ILE  15          2HD1      ILE  15   6.787  10.047  -1.683
  116   3HD1  ILE  15          3HD1      ILE  15   5.230  10.093  -0.858
  117    H    ARG  16           H        ARG  16   6.690   8.478  -6.645
  118    HA   ARG  16           HA       ARG  16   7.602   5.852  -6.443
  119   1HB   ARG  16          1HB       ARG  16   6.120   6.606  -8.207
  120   2HB   ARG  16          2HB       ARG  16   7.373   7.650  -8.853
  121   1HG   ARG  16          1HG       ARG  16   8.730   5.513  -9.197
  122   2HG   ARG  16          2HG       ARG  16   7.202   4.663  -8.931
  123   1HD   ARG  16          1HD       ARG  16   6.279   5.425 -10.863
  124   2HD   ARG  16          2HD       ARG  16   7.197   6.935 -10.833
  125    HE   ARG  16           HE       ARG  16   9.146   5.175 -11.297
  126   1HH1  ARG  16          1HH1      ARG  16   5.986   5.393 -12.741
  127   2HH1  ARG  16          2HH1      ARG  16   6.518   4.792 -14.268
  128   1HH2  ARG  16          1HH2      ARG  16   9.836   4.415 -13.259
  129   2HH2  ARG  16          2HH2      ARG  16   8.721   4.238 -14.570
  130    H    TRP  17           H        TRP  17   9.288   8.446  -8.275
  131    HA   TRP  17           HA       TRP  17  11.615   7.197  -8.868
  132   1HB   TRP  17          1HB       TRP  17  11.094   9.534  -9.481
  133   2HB   TRP  17          2HB       TRP  17  11.446  10.035  -7.831
  134    HD1  TRP  17           HD1      TRP  17  13.193   8.748 -11.000
  135    HE1  TRP  17           HE1      TRP  17  15.699   9.331 -10.839
  136    HE3  TRP  17           HE3      TRP  17  13.322  10.515  -6.203
  137    HZ2  TRP  17           HZ2      TRP  17  17.489  10.388  -8.935
  138    HZ3  TRP  17           HZ3      TRP  17  15.471  11.288  -5.284
  139    HH2  TRP  17           HH2      TRP  17  17.512  11.225  -6.623
  140    H    VAL  18           H        VAL  18  10.979   8.785  -5.738
  141    HA   VAL  18           HA       VAL  18  13.498   8.148  -4.598
  142    HB   VAL  18           HB       VAL  18  11.088   8.408  -2.841
  143   1HG1  VAL  18          1HG1      VAL  18  12.564   9.037  -1.277
  144   2HG1  VAL  18          2HG1      VAL  18  13.473  10.051  -2.394
  145   3HG1  VAL  18          3HG1      VAL  18  13.760   8.312  -2.352
  146   1HG2  VAL  18          1HG2      VAL  18  10.412  10.226  -3.982
  147   2HG2  VAL  18          2HG2      VAL  18  11.958  10.420  -4.806
  148   3HG2  VAL  18          3HG2      VAL  18  11.758  11.010  -3.158
  149    H    LEU  19           H        LEU  19  10.315   6.574  -4.341
  150    HA   LEU  19           HA       LEU  19  11.238   4.449  -2.680
  151   1HB   LEU  19          1HB       LEU  19   8.812   5.458  -3.277
  152   2HB   LEU  19          2HB       LEU  19   8.809   4.042  -4.309
  153    HG   LEU  19           HG       LEU  19   8.781   2.568  -2.523
  154   1HD1  LEU  19          1HD1      LEU  19  10.751   3.348  -1.353
  155   2HD1  LEU  19          2HD1      LEU  19   9.419   3.173  -0.213
  156   3HD1  LEU  19          3HD1      LEU  19   9.883   4.774  -0.785
  157   1HD2  LEU  19          1HD2      LEU  19   7.490   4.773  -1.020
  158   2HD2  LEU  19          2HD2      LEU  19   6.916   3.140  -1.348
  159   3HD2  LEU  19          3HD2      LEU  19   6.854   4.368  -2.613
  160    H    GLU  20           H        GLU  20  10.453   4.597  -6.162
  161    HA   GLU  20           HA       GLU  20  10.914   1.919  -6.787
  162   1HB   GLU  20          1HB       GLU  20  10.828   2.547  -9.016
  163   2HB   GLU  20          2HB       GLU  20  10.005   3.895  -8.248
  164   1HG   GLU  20          1HG       GLU  20  11.924   5.291  -8.452
  165   2HG   GLU  20          2HG       GLU  20  12.934   3.939  -8.943
  166    H    ARG  21           H        ARG  21  13.178   4.606  -6.516
  167    HA   ARG  21           HA       ARG  21  15.435   3.067  -7.385
  168   1HB   ARG  21          1HB       ARG  21  15.118   5.799  -6.158
  169   2HB   ARG  21          2HB       ARG  21  16.706   5.103  -6.455
  170   1HG   ARG  21          1HG       ARG  21  14.579   5.645  -8.520
  171   2HG   ARG  21          2HG       ARG  21  16.064   6.570  -8.270
  172   1HD   ARG  21          1HD       ARG  21  17.056   4.068  -8.552
  173   2HD   ARG  21          2HD       ARG  21  15.632   3.978  -9.596
  174    HE   ARG  21           HE       ARG  21  16.780   6.286 -10.374
  175   1HH1  ARG  21          1HH1      ARG  21  18.049   3.082  -9.978
  176   2HH1  ARG  21          2HH1      ARG  21  19.252   3.278 -11.198
  177   1HH2  ARG  21          1HH2      ARG  21  18.340   6.540 -11.968
  178   2HH2  ARG  21          2HH2      ARG  21  19.417   5.242 -12.331
  179    H    ALA  22           H        ALA  22  14.347   4.280  -4.200
  180    HA   ALA  22           HA       ALA  22  16.494   3.131  -2.753
  181   1HB   ALA  22          1HB       ALA  22  15.407   4.875  -1.666
  182   2HB   ALA  22          2HB       ALA  22  14.887   3.444  -0.777
  183   3HB   ALA  22          3HB       ALA  22  13.808   4.189  -1.956
  184    H    LEU  23           H        LEU  23  13.099   2.034  -3.035
  185    HA   LEU  23           HA       LEU  23  13.372  -0.307  -1.550
  186   1HB   LEU  23          1HB       LEU  23  11.318   0.938  -2.777
  187   2HB   LEU  23          2HB       LEU  23  11.535  -0.423  -3.860
  188    HG   LEU  23           HG       LEU  23   9.848  -0.932  -2.190
  189   1HD1  LEU  23          1HD1      LEU  23  12.283  -2.509  -1.430
  190   2HD1  LEU  23          2HD1      LEU  23  11.553  -2.645  -3.027
  191   3HD1  LEU  23          3HD1      LEU  23  10.614  -3.056  -1.593
  192   1HD2  LEU  23          1HD2      LEU  23  11.099  -1.295   0.201
  193   2HD2  LEU  23          2HD2      LEU  23  10.115   0.108  -0.215
  194   3HD2  LEU  23          3HD2      LEU  23  11.868   0.176  -0.381
  195    H    ALA  24           H        ALA  24  13.920   0.201  -5.027
  196    HA   ALA  24           HA       ALA  24  14.273  -2.457  -5.795
  197   1HB   ALA  24          1HB       ALA  24  15.836  -1.404  -7.565
  198   2HB   ALA  24          2HB       ALA  24  15.341   0.132  -6.854
  199   3HB   ALA  24          3HB       ALA  24  14.132  -0.946  -7.550
  200    H    GLY  25           H        GLY  25  16.522  -0.271  -4.170
  201   1HA   GLY  25          1HA       GLY  25  18.911  -1.698  -4.546
  202   2HA   GLY  25          2HA       GLY  25  18.568  -0.646  -3.183
  203    H    ALA  26           H        ALA  26  16.351  -2.141  -2.153
  204    HA   ALA  26           HA       ALA  26  17.760  -4.048  -0.573
  205   1HB   ALA  26          1HB       ALA  26  16.032  -2.944   0.539
  206   2HB   ALA  26          2HB       ALA  26  15.387  -4.562   0.265
  207   3HB   ALA  26          3HB       ALA  26  14.882  -3.226  -0.769
  208    H    GLY  27           H        GLY  27  16.111  -4.280  -3.586
  209   1HA   GLY  27          1HA       GLY  27  16.449  -6.230  -4.957
  210   2HA   GLY  27          2HA       GLY  27  16.415  -7.211  -3.501
  211    H    LEU  28           H        LEU  28  14.157  -4.705  -4.657
  212    HA   LEU  28           HA       LEU  28  12.111  -6.755  -5.069
  213   1HB   LEU  28          1HB       LEU  28  11.600  -4.351  -3.327
  214   2HB   LEU  28          2HB       LEU  28  10.493  -5.665  -3.663
  215    HG   LEU  28           HG       LEU  28  12.493  -7.069  -2.545
  216   1HD1  LEU  28          1HD1      LEU  28  13.825  -5.945  -1.132
  217   2HD1  LEU  28          2HD1      LEU  28  12.564  -4.793  -0.690
  218   3HD1  LEU  28          3HD1      LEU  28  13.470  -4.577  -2.187
  219   1HD2  LEU  28          1HD2      LEU  28   9.957  -5.993  -1.703
  220   2HD2  LEU  28          2HD2      LEU  28  11.068  -6.131  -0.341
  221   3HD2  LEU  28          3HD2      LEU  28  10.703  -7.546  -1.325
  222    H    THR  29           H        THR  29  10.467  -6.188  -6.469
  223    HA   THR  29           HA       THR  29  11.049  -3.983  -8.259
  224    HB   THR  29           HB       THR  29   8.817  -6.031  -8.297
  225    HG1  THR  29           HG1      THR  29  11.305  -6.388  -8.858
  226   1HG2  THR  29          1HG2      THR  29   8.383  -5.398 -10.563
  227   2HG2  THR  29          2HG2      THR  29   9.659  -4.184 -10.510
  228   3HG2  THR  29          3HG2      THR  29   8.211  -3.983  -9.525
  229    H    CYS  30           H        CYS  30  10.532  -2.018  -7.449
  230    HA   CYS  30           HA       CYS  30   7.973  -1.639  -6.074
  231   1HB   CYS  30          1HB       CYS  30  10.080  -0.734  -5.083
  232   2HB   CYS  30          2HB       CYS  30  10.231   0.334  -6.473
  233    HG   CYS  30           HG       CYS  30   9.024   1.866  -4.954
  234    H    THR  31           H        THR  31   6.280  -0.544  -6.927
  235    HA   THR  31           HA       THR  31   6.667   1.109  -9.309
  236    HB   THR  31           HB       THR  31   5.899  -1.453  -9.707
  237    HG1  THR  31           HG1      THR  31   4.783   0.661 -11.228
  238   1HG2  THR  31          1HG2      THR  31   3.602  -1.709 -10.045
  239   2HG2  THR  31          2HG2      THR  31   3.284   0.008  -9.799
  240   3HG2  THR  31          3HG2      THR  31   3.754  -1.007  -8.437
  241    H    THR  32           H        THR  32   4.942   2.615  -9.704
  242    HA   THR  32           HA       THR  32   3.147   2.974  -7.395
  243    HB   THR  32           HB       THR  32   3.336   5.464  -7.938
  244    HG1  THR  32           HG1      THR  32   4.461   5.864  -9.645
  245   1HG2  THR  32          1HG2      THR  32   4.537   4.284  -6.034
  246   2HG2  THR  32          2HG2      THR  32   5.194   5.826  -6.585
  247   3HG2  THR  32          3HG2      THR  32   5.960   4.315  -7.074
  248    H    PHE  33           H        PHE  33   1.272   4.418  -7.839
  249    HA   PHE  33           HA       PHE  33   0.276   4.384 -10.595
  250   1HB   PHE  33          1HB       PHE  33  -1.361   3.290  -8.297
  251   2HB   PHE  33          2HB       PHE  33  -1.808   3.323  -9.995
  252    HD1  PHE  33           HD1      PHE  33  -1.119   1.628 -11.470
  253    HD2  PHE  33           HD2      PHE  33   0.422   1.747  -7.519
  254    HE1  PHE  33           HE1      PHE  33  -0.211  -0.640 -11.762
  255    HE2  PHE  33           HE2      PHE  33   1.340  -0.518  -7.799
  256    HZ   PHE  33           HZ       PHE  33   1.023  -1.721  -9.925
  257    H    GLU  34           H        GLU  34  -2.064   5.487 -10.531
  258    HA   GLU  34           HA       GLU  34  -1.786   8.140  -9.879
  259   1HB   GLU  34          1HB       GLU  34  -4.402   8.149  -9.825
  260   2HB   GLU  34          2HB       GLU  34  -3.551   7.777 -11.314
  261   1HG   GLU  34          1HG       GLU  34  -4.889   6.006 -11.435
  262   2HG   GLU  34          2HG       GLU  34  -3.851   5.305 -10.203
  263    H    ASN  35           H        ASN  35  -3.971   6.039  -7.954
  264    HA   ASN  35           HA       ASN  35  -3.004   7.246  -5.480
  265   1HB   ASN  35          1HB       ASN  35  -5.619   7.887  -6.721
  266   2HB   ASN  35          2HB       ASN  35  -5.637   7.577  -4.989
  267   1HD2  ASN  35          1HD2      ASN  35  -6.401   9.975  -5.652
  268   2HD2  ASN  35          2HD2      ASN  35  -5.180  11.156  -5.354
  269    H    GLY  36           H        GLY  36  -5.202   4.934  -7.038
  270   1HA   GLY  36          1HA       GLY  36  -4.554   2.814  -5.301
  271   2HA   GLY  36          2HA       GLY  36  -6.028   3.562  -4.717
  272    H    ASN  37           H        ASN  37  -7.191   4.209  -7.241
  273    HA   ASN  37           HA       ASN  37  -8.503   1.791  -7.823
  274   1HB   ASN  37          1HB       ASN  37  -8.656   4.546  -8.728
  275   2HB   ASN  37          2HB       ASN  37  -8.921   3.416 -10.051
  276   1HD2  ASN  37          1HD2      ASN  37  -9.931   4.116  -6.740
  277   2HD2  ASN  37          2HD2      ASN  37 -11.551   3.559  -6.940
  278    H    GLU  38           H        GLU  38  -6.018   3.535  -9.705
  279    HA   GLU  38           HA       GLU  38  -5.826   1.899 -11.920
  280   1HB   GLU  38          1HB       GLU  38  -4.171   3.826 -10.603
  281   2HB   GLU  38          2HB       GLU  38  -3.169   2.476 -11.100
  282   1HG   GLU  38          1HG       GLU  38  -4.149   2.726 -13.397
  283   2HG   GLU  38          2HG       GLU  38  -4.892   4.221 -12.836
  284    H    VAL  39           H        VAL  39  -4.320   1.486  -8.750
  285    HA   VAL  39           HA       VAL  39  -2.897  -0.878  -9.240
  286    HB   VAL  39           HB       VAL  39  -4.199  -0.363  -6.575
  287   1HG1  VAL  39          1HG1      VAL  39  -1.347  -1.058  -6.855
  288   2HG1  VAL  39          2HG1      VAL  39  -2.498  -2.288  -7.372
  289   3HG1  VAL  39          3HG1      VAL  39  -2.558  -1.661  -5.726
  290   1HG2  VAL  39          1HG2      VAL  39  -2.445   1.458  -8.004
  291   2HG2  VAL  39          2HG2      VAL  39  -1.762   0.942  -6.464
  292   3HG2  VAL  39          3HG2      VAL  39  -3.352   1.702  -6.512
  293    H    LEU  40           H        LEU  40  -6.245  -0.345  -8.174
  294    HA   LEU  40           HA       LEU  40  -6.986  -3.026  -7.766
  295   1HB   LEU  40          1HB       LEU  40  -8.801  -0.861  -8.825
  296   2HB   LEU  40          2HB       LEU  40  -9.265  -2.286  -7.914
  297    HG   LEU  40           HG       LEU  40  -7.668   0.039  -6.835
  298   1HD1  LEU  40          1HD1      LEU  40  -9.906   0.747  -7.175
  299   2HD1  LEU  40          2HD1      LEU  40  -9.725   0.388  -5.458
  300   3HD1  LEU  40          3HD1      LEU  40 -10.546  -0.758  -6.517
  301   1HD2  LEU  40          1HD2      LEU  40  -8.905  -2.146  -5.209
  302   2HD2  LEU  40          2HD2      LEU  40  -7.632  -1.010  -4.768
  303   3HD2  LEU  40          3HD2      LEU  40  -7.288  -2.326  -5.887
  304    H    ALA  41           H        ALA  41  -6.483  -1.211 -10.682
  305    HA   ALA  41           HA       ALA  41  -7.842  -3.126 -12.392
  306   1HB   ALA  41          1HB       ALA  41  -6.069  -0.826 -13.213
  307   2HB   ALA  41          2HB       ALA  41  -7.791  -0.661 -12.873
  308   3HB   ALA  41          3HB       ALA  41  -7.249  -1.680 -14.206
  309    H    ALA  42           H        ALA  42  -4.486  -1.954 -11.978
  310    HA   ALA  42           HA       ALA  42  -3.260  -3.887 -13.620
  311   1HB   ALA  42          1HB       ALA  42  -1.629  -3.000 -11.359
  312   2HB   ALA  42          2HB       ALA  42  -2.406  -1.681 -12.234
  313   3HB   ALA  42          3HB       ALA  42  -1.365  -2.813 -13.093
  314    H    LEU  43           H        LEU  43  -4.019  -3.897 -10.163
  315    HA   LEU  43           HA       LEU  43  -2.682  -6.224  -9.391
  316   1HB   LEU  43          1HB       LEU  43  -5.112  -4.793  -8.389
  317   2HB   LEU  43          2HB       LEU  43  -4.701  -6.359  -7.716
  318    HG   LEU  43           HG       LEU  43  -2.722  -4.099  -7.787
  319   1HD1  LEU  43          1HD1      LEU  43  -4.422  -4.775  -5.414
  320   2HD1  LEU  43          2HD1      LEU  43  -4.865  -3.510  -6.561
  321   3HD1  LEU  43          3HD1      LEU  43  -3.360  -3.389  -5.652
  322   1HD2  LEU  43          1HD2      LEU  43  -1.816  -5.400  -5.845
  323   2HD2  LEU  43          2HD2      LEU  43  -1.708  -6.199  -7.412
  324   3HD2  LEU  43          3HD2      LEU  43  -2.957  -6.677  -6.265
  325    H    ALA  44           H        ALA  44  -5.587  -5.839 -11.263
  326    HA   ALA  44           HA       ALA  44  -6.830  -8.304 -10.882
  327   1HB   ALA  44          1HB       ALA  44  -6.745  -6.867 -13.524
  328   2HB   ALA  44          2HB       ALA  44  -7.695  -6.289 -12.157
  329   3HB   ALA  44          3HB       ALA  44  -8.037  -7.869 -12.861
  330    H    SER  45           H        SER  45  -3.901  -7.552 -12.622
  331    HA   SER  45           HA       SER  45  -3.806 -10.352 -13.551
  332   1HB   SER  45          1HB       SER  45  -3.712  -8.042 -15.127
  333   2HB   SER  45          2HB       SER  45  -2.044  -8.611 -15.053
  334    HG   SER  45           HG       SER  45  -4.320 -10.126 -15.840
  335    H    LYS  46           H        LYS  46  -2.770  -9.063 -11.012
  336    HA   LYS  46           HA       LYS  46  -0.464 -10.547 -10.658
  337   1HB   LYS  46          1HB       LYS  46   0.242  -8.605 -12.370
  338   2HB   LYS  46          2HB       LYS  46   0.506  -7.749 -10.860
  339   1HG   LYS  46          1HG       LYS  46   1.640 -10.385 -10.716
  340   2HG   LYS  46          2HG       LYS  46   2.232  -9.534 -12.144
  341   1HD   LYS  46          1HD       LYS  46   2.320  -7.623 -10.136
  342   2HD   LYS  46          2HD       LYS  46   2.840  -9.106  -9.333
  343   1HE   LYS  46          1HE       LYS  46   4.760  -9.229 -10.510
  344   2HE   LYS  46          2HE       LYS  46   4.009  -8.630 -11.992
  345   1HZ   LYS  46          1HZ       LYS  46   4.957  -6.674 -11.588
  346   2HZ   LYS  46          2HZ       LYS  46   5.556  -7.207 -10.097
  347   3HZ   LYS  46          3HZ       LYS  46   4.018  -6.513 -10.188
  348    H    THR  47           H        THR  47  -0.104 -10.725  -8.528
  349    HA   THR  47           HA       THR  47  -1.126  -8.588  -6.767
  350    HB   THR  47           HB       THR  47  -0.963 -11.572  -6.372
  351    HG1  THR  47           HG1      THR  47  -2.863 -10.409  -7.282
  352   1HG2  THR  47          1HG2      THR  47  -0.218 -10.909  -4.278
  353   2HG2  THR  47          2HG2      THR  47  -1.965 -11.037  -4.079
  354   3HG2  THR  47          3HG2      THR  47  -1.213  -9.454  -4.275
  355    HA   PRO  48           HA       PRO  48   3.228  -8.164  -5.712
  356   1HB   PRO  48          1HB       PRO  48   3.026  -5.854  -4.378
  357   2HB   PRO  48          2HB       PRO  48   2.818  -5.911  -6.134
  358   1HG   PRO  48          1HG       PRO  48   0.734  -5.820  -3.984
  359   2HG   PRO  48          2HG       PRO  48   0.817  -4.900  -5.498
  360   1HD   PRO  48          1HD       PRO  48  -0.703  -7.153  -5.173
  361   2HD   PRO  48          2HD       PRO  48  -0.047  -6.625  -6.736
  362    H    ASP  49           H        ASP  49   4.505  -8.464  -3.877
  363    HA   ASP  49           HA       ASP  49   3.424  -9.918  -1.731
  364   1HB   ASP  49          1HB       ASP  49   6.091  -8.489  -1.900
  365   2HB   ASP  49          2HB       ASP  49   5.671  -9.733  -0.730
  366    H    VAL  50           H        VAL  50   4.039  -6.486  -2.120
  367    HA   VAL  50           HA       VAL  50   2.532  -5.926   0.306
  368    HB   VAL  50           HB       VAL  50   4.821  -6.020   1.147
  369   1HG1  VAL  50          1HG1      VAL  50   6.622  -5.111   0.165
  370   2HG1  VAL  50          2HG1      VAL  50   5.759  -3.647  -0.304
  371   3HG1  VAL  50          3HG1      VAL  50   5.609  -5.108  -1.278
  372   1HG2  VAL  50          1HG2      VAL  50   3.079  -4.183   1.805
  373   2HG2  VAL  50          2HG2      VAL  50   4.244  -3.096   1.050
  374   3HG2  VAL  50          3HG2      VAL  50   4.733  -4.104   2.412
  375    H    LEU  51           H        LEU  51   1.383  -3.997   0.199
  376    HA   LEU  51           HA       LEU  51   1.913  -2.247  -2.109
  377   1HB   LEU  51          1HB       LEU  51   0.214  -3.684  -2.889
  378   2HB   LEU  51          2HB       LEU  51  -0.667  -3.599  -1.379
  379    HG   LEU  51           HG       LEU  51  -0.826  -1.016  -2.093
  380   1HD1  LEU  51          1HD1      LEU  51  -1.263  -0.902  -4.511
  381   2HD1  LEU  51          2HD1      LEU  51  -0.652  -2.547  -4.681
  382   3HD1  LEU  51          3HD1      LEU  51   0.423  -1.257  -4.141
  383   1HD2  LEU  51          1HD2      LEU  51  -2.695  -2.891  -3.448
  384   2HD2  LEU  51          2HD2      LEU  51  -3.034  -1.435  -2.513
  385   3HD2  LEU  51          3HD2      LEU  51  -2.576  -2.925  -1.689
  386    H    LEU  52           H        LEU  52   1.384  -0.103  -1.914
  387    HA   LEU  52           HA       LEU  52   0.373   0.852   0.697
  388   1HB   LEU  52          1HB       LEU  52   2.623   2.024  -0.948
  389   2HB   LEU  52          2HB       LEU  52   1.960   2.751   0.504
  390    HG   LEU  52           HG       LEU  52   2.893  -0.005   0.883
  391   1HD1  LEU  52          1HD1      LEU  52   5.194   0.351   0.664
  392   2HD1  LEU  52          2HD1      LEU  52   4.997   2.090   0.469
  393   3HD1  LEU  52          3HD1      LEU  52   4.501   0.999  -0.822
  394   1HD2  LEU  52          1HD2      LEU  52   3.281   0.730   2.967
  395   2HD2  LEU  52          2HD2      LEU  52   2.267   2.086   2.479
  396   3HD2  LEU  52          3HD2      LEU  52   4.022   2.231   2.415
  397    H    SER  53           H        SER  53  -1.182   2.484   0.572
  398    HA   SER  53           HA       SER  53  -1.590   3.842  -2.014
  399   1HB   SER  53          1HB       SER  53  -3.206   1.699  -1.134
  400   2HB   SER  53          2HB       SER  53  -4.160   3.164  -0.901
  401    HG   SER  53           HG       SER  53  -3.630   3.689  -3.131
  402    H    ASP  54           H        ASP  54  -2.582   5.867  -1.929
  403    HA   ASP  54           HA       ASP  54  -2.392   7.323   0.515
  404   1HB   ASP  54          1HB       ASP  54  -2.031   8.217  -1.841
  405   2HB   ASP  54          2HB       ASP  54  -3.776   8.245  -2.009
  406    H    ILE  55           H        ILE  55  -4.596   8.988   0.602
  407    HA   ILE  55           HA       ILE  55  -6.980   7.395   0.763
  408    HB   ILE  55           HB       ILE  55  -6.030   6.661   2.795
  409   1HG1  ILE  55          1HG1      ILE  55  -7.492   8.915   4.044
  410   2HG1  ILE  55          2HG1      ILE  55  -8.399   7.953   2.884
  411   1HG2  ILE  55          1HG2      ILE  55  -4.215   7.892   3.332
  412   2HG2  ILE  55          2HG2      ILE  55  -5.345   8.636   4.460
  413   3HG2  ILE  55          3HG2      ILE  55  -4.989   9.421   2.923
  414   1HD1  ILE  55          1HD1      ILE  55  -8.849   6.906   4.881
  415   2HD1  ILE  55          2HD1      ILE  55  -7.217   7.154   5.500
  416   3HD1  ILE  55          3HD1      ILE  55  -7.513   5.943   4.253
  417    H    ARG  56           H        ARG  56  -6.757   9.600  -0.819
  418    HA   ARG  56           HA       ARG  56  -8.623  11.418   0.458
  419   1HB   ARG  56          1HB       ARG  56  -6.591  12.409   1.183
  420   2HB   ARG  56          2HB       ARG  56  -5.859  12.250  -0.404
  421   1HG   ARG  56          1HG       ARG  56  -8.256  13.846  -0.543
  422   2HG   ARG  56          2HG       ARG  56  -7.127  14.487   0.656
  423   1HD   ARG  56          1HD       ARG  56  -5.329  14.195  -1.133
  424   2HD   ARG  56          2HD       ARG  56  -6.658  13.978  -2.270
  425    HE   ARG  56           HE       ARG  56  -7.197  16.217  -2.064
  426   1HH1  ARG  56          1HH1      ARG  56  -4.694  15.368   0.195
  427   2HH1  ARG  56          2HH1      ARG  56  -4.368  17.008   0.627
  428   1HH2  ARG  56          1HH2      ARG  56  -6.768  18.349  -1.509
  429   2HH2  ARG  56          2HH2      ARG  56  -5.553  18.699  -0.335
  430    H    MET  57           H        MET  57  -9.890  10.315  -1.273
  431    HA   MET  57           HA       MET  57 -10.404  12.025  -3.417
  432   1HB   MET  57          1HB       MET  57  -8.131  10.461  -3.916
  433   2HB   MET  57          2HB       MET  57  -9.414   9.736  -4.877
  434   1HG   MET  57          1HG       MET  57  -9.031  12.690  -4.950
  435   2HG   MET  57          2HG       MET  57  -7.923  11.651  -5.839
  436   1HE   MET  57          1HE       MET  57 -10.375  13.836  -5.995
  437   2HE   MET  57          2HE       MET  57 -11.925  13.084  -6.364
  438   3HE   MET  57          3HE       MET  57 -10.893  13.661  -7.673
  439    HA   PRO  58           HA       PRO  58 -12.624   7.718  -4.403
  440   1HB   PRO  58          1HB       PRO  58 -12.342   6.122  -2.075
  441   2HB   PRO  58          2HB       PRO  58 -11.682   5.792  -3.676
  442   1HG   PRO  58          1HG       PRO  58 -10.366   6.947  -1.286
  443   2HG   PRO  58          2HG       PRO  58  -9.664   6.020  -2.622
  444   1HD   PRO  58          1HD       PRO  58  -9.294   8.672  -2.342
  445   2HD   PRO  58          2HD       PRO  58  -9.384   7.892  -3.935
  446    H    GLY  59           H        GLY  59 -14.769   7.277  -3.742
  447   1HA   GLY  59          1HA       GLY  59 -16.249   9.146  -2.467
  448   2HA   GLY  59          2HA       GLY  59 -16.709   7.453  -2.466
  449    H    MET  60           H        MET  60 -14.503   6.566  -0.826
  450    HA   MET  60           HA       MET  60 -15.394   7.620   1.771
  451   1HB   MET  60          1HB       MET  60 -15.206   5.000   0.796
  452   2HB   MET  60          2HB       MET  60 -13.845   5.168   1.896
  453   1HG   MET  60          1HG       MET  60 -15.153   5.311   3.721
  454   2HG   MET  60          2HG       MET  60 -16.430   6.183   2.873
  455   1HE   MET  60          1HE       MET  60 -17.606   4.952   4.581
  456   2HE   MET  60          2HE       MET  60 -17.967   3.228   4.617
  457   3HE   MET  60          3HE       MET  60 -18.873   4.300   3.549
  458    H    ASP  61           H        ASP  61 -13.667   9.329   0.770
  459    HA   ASP  61           HA       ASP  61 -11.685  10.410   1.058
  460   1HB   ASP  61          1HB       ASP  61 -12.438   9.505   3.495
  461   2HB   ASP  61          2HB       ASP  61 -10.863   8.739   3.363
  462    H    GLY  62           H        GLY  62 -10.695   7.230   2.275
  463   1HA   GLY  62          1HA       GLY  62  -9.030   6.761  -0.089
  464   2HA   GLY  62          2HA       GLY  62  -8.214   6.913   1.454
  465    H    LEU  63           H        LEU  63  -9.764   5.597   3.180
  466    HA   LEU  63           HA       LEU  63  -9.050   2.973   3.020
  467   1HB   LEU  63          1HB       LEU  63 -11.712   3.610   4.227
  468   2HB   LEU  63          2HB       LEU  63 -10.460   2.527   4.806
  469    HG   LEU  63           HG       LEU  63  -9.177   4.915   4.993
  470   1HD1  LEU  63          1HD1      LEU  63 -10.539   6.659   5.533
  471   2HD1  LEU  63          2HD1      LEU  63 -11.858   5.614   6.050
  472   3HD1  LEU  63          3HD1      LEU  63 -11.549   5.855   4.333
  473   1HD2  LEU  63          1HD2      LEU  63 -10.003   4.847   7.423
  474   2HD2  LEU  63          2HD2      LEU  63  -9.091   3.471   6.806
  475   3HD2  LEU  63          3HD2      LEU  63 -10.846   3.377   6.940
  476    H    ALA  64           H        ALA  64 -11.729   4.496   1.359
  477    HA   ALA  64           HA       ALA  64 -13.361   2.385   0.680
  478   1HB   ALA  64          1HB       ALA  64 -12.768   4.064  -1.628
  479   2HB   ALA  64          2HB       ALA  64 -13.078   5.000  -0.166
  480   3HB   ALA  64          3HB       ALA  64 -14.281   3.849  -0.748
  481    H    LEU  65           H        LEU  65 -10.184   3.219  -0.639
  482    HA   LEU  65           HA       LEU  65 -10.047   1.474  -2.809
  483   1HB   LEU  65          1HB       LEU  65  -7.813   2.210  -0.911
  484   2HB   LEU  65          2HB       LEU  65  -7.609   1.537  -2.517
  485    HG   LEU  65           HG       LEU  65  -8.904   4.208  -1.980
  486   1HD1  LEU  65          1HD1      LEU  65  -6.061   3.541  -2.715
  487   2HD1  LEU  65          2HD1      LEU  65  -6.618   4.288  -1.218
  488   3HD1  LEU  65          3HD1      LEU  65  -6.760   5.159  -2.745
  489   1HD2  LEU  65          1HD2      LEU  65  -9.573   3.311  -4.085
  490   2HD2  LEU  65          2HD2      LEU  65  -7.921   2.828  -4.467
  491   3HD2  LEU  65          3HD2      LEU  65  -8.345   4.538  -4.393
  492    H    LEU  66           H        LEU  66  -9.253   0.882   0.600
  493    HA   LEU  66           HA       LEU  66  -8.395  -1.777   0.384
  494   1HB   LEU  66          1HB       LEU  66  -9.756  -0.269   2.615
  495   2HB   LEU  66          2HB       LEU  66  -9.270  -1.944   2.780
  496    HG   LEU  66           HG       LEU  66  -7.607  -0.540   3.790
  497   1HD1  LEU  66          1HD1      LEU  66  -5.744  -1.537   2.887
  498   2HD1  LEU  66          2HD1      LEU  66  -6.306  -1.304   1.230
  499   3HD1  LEU  66          3HD1      LEU  66  -7.028  -2.557   2.235
  500   1HD2  LEU  66          1HD2      LEU  66  -6.911   0.738   1.182
  501   2HD2  LEU  66          2HD2      LEU  66  -6.591   1.277   2.829
  502   3HD2  LEU  66          3HD2      LEU  66  -8.214   1.415   2.160
  503    H    LYS  67           H        LYS  67 -11.627  -0.381   0.744
  504    HA   LYS  67           HA       LYS  67 -13.104  -2.744   1.034
  505   1HB   LYS  67          1HB       LYS  67 -13.765  -0.124   1.045
  506   2HB   LYS  67          2HB       LYS  67 -14.304  -0.547  -0.573
  507   1HG   LYS  67          1HG       LYS  67 -15.597  -2.464   0.536
  508   2HG   LYS  67          2HG       LYS  67 -15.271  -1.625   2.056
  509   1HD   LYS  67          1HD       LYS  67 -16.225   0.282   0.161
  510   2HD   LYS  67          2HD       LYS  67 -17.303  -1.112   0.138
  511   1HE   LYS  67          1HE       LYS  67 -16.764  -0.581   2.843
  512   2HE   LYS  67          2HE       LYS  67 -17.073   0.980   2.084
  513   1HZ   LYS  67          1HZ       LYS  67 -19.074  -0.294   1.038
  514   2HZ   LYS  67          2HZ       LYS  67 -19.191   0.337   2.596
  515   3HZ   LYS  67          3HZ       LYS  67 -18.887  -1.317   2.381
  516    H    GLN  68           H        GLN  68 -11.706  -1.212  -1.782
  517    HA   GLN  68           HA       GLN  68 -13.054  -2.927  -3.687
  518   1HB   GLN  68          1HB       GLN  68 -10.680  -1.136  -4.210
  519   2HB   GLN  68          2HB       GLN  68 -11.864  -1.726  -5.369
  520   1HG   GLN  68          1HG       GLN  68 -12.498   0.180  -3.119
  521   2HG   GLN  68          2HG       GLN  68 -12.129   0.671  -4.768
  522   1HE2  GLN  68          1HE2      GLN  68 -13.929   1.334  -5.684
  523   2HE2  GLN  68          2HE2      GLN  68 -15.456   0.534  -5.612
  524    H    ILE  69           H        ILE  69  -9.769  -2.565  -2.368
  525    HA   ILE  69           HA       ILE  69  -8.400  -4.514  -3.788
  526    HB   ILE  69           HB       ILE  69  -8.146  -3.676  -0.896
  527   1HG1  ILE  69          1HG1      ILE  69  -6.066  -3.128  -2.945
  528   2HG1  ILE  69          2HG1      ILE  69  -7.573  -2.220  -3.060
  529   1HG2  ILE  69          1HG2      ILE  69  -6.527  -5.155  -0.469
  530   2HG2  ILE  69          2HG2      ILE  69  -5.791  -4.942  -2.053
  531   3HG2  ILE  69          3HG2      ILE  69  -7.147  -6.048  -1.858
  532   1HD1  ILE  69          1HD1      ILE  69  -5.464  -1.449  -1.595
  533   2HD1  ILE  69          2HD1      ILE  69  -6.366  -2.357  -0.384
  534   3HD1  ILE  69          3HD1      ILE  69  -7.129  -1.007  -1.224
  535    H    LYS  70           H        LYS  70 -10.056  -4.914  -0.667
  536    HA   LYS  70           HA       LYS  70  -9.716  -7.692  -0.501
  537   1HB   LYS  70          1HB       LYS  70 -11.066  -7.615   1.402
  538   2HB   LYS  70          2HB       LYS  70 -10.293  -6.041   1.342
  539   1HG   LYS  70          1HG       LYS  70 -12.273  -5.090   1.488
  540   2HG   LYS  70          2HG       LYS  70 -12.718  -5.802  -0.066
  541   1HD   LYS  70          1HD       LYS  70 -13.380  -7.874   1.147
  542   2HD   LYS  70          2HD       LYS  70 -13.073  -7.032   2.667
  543   1HE   LYS  70          1HE       LYS  70 -14.965  -5.820   2.529
  544   2HE   LYS  70          2HE       LYS  70 -14.834  -5.620   0.779
  545   1HZ   LYS  70          1HZ       LYS  70 -16.713  -7.096   1.788
  546   2HZ   LYS  70          2HZ       LYS  70 -15.501  -8.273   1.870
  547   3HZ   LYS  70          3HZ       LYS  70 -15.917  -7.591   0.378
  548    H    GLN  71           H        GLN  71 -11.638  -6.105  -2.736
  549    HA   GLN  71           HA       GLN  71 -13.755  -8.106  -2.777
  550   1HB   GLN  71          1HB       GLN  71 -13.343  -5.449  -3.911
  551   2HB   GLN  71          2HB       GLN  71 -13.995  -6.580  -5.088
  552   1HG   GLN  71          1HG       GLN  71 -15.914  -6.987  -3.773
  553   2HG   GLN  71          2HG       GLN  71 -15.209  -6.192  -2.368
  554   1HE2  GLN  71          1HE2      GLN  71 -14.585  -3.854  -2.805
  555   2HE2  GLN  71          2HE2      GLN  71 -15.737  -2.906  -3.676
  556    H    ARG  72           H        ARG  72 -10.836  -7.257  -4.533
  557    HA   ARG  72           HA       ARG  72 -11.256  -9.552  -6.339
  558   1HB   ARG  72          1HB       ARG  72  -9.267  -7.320  -6.724
  559   2HB   ARG  72          2HB       ARG  72  -9.813  -8.501  -7.908
  560   1HG   ARG  72          1HG       ARG  72 -12.098  -7.487  -7.716
  561   2HG   ARG  72          2HG       ARG  72 -11.364  -6.198  -6.758
  562   1HD   ARG  72          1HD       ARG  72 -10.226  -5.331  -8.542
  563   2HD   ARG  72          2HD       ARG  72 -10.130  -6.888  -9.371
  564    HE   ARG  72           HE       ARG  72 -12.785  -6.293  -9.399
  565   1HH1  ARG  72          1HH1      ARG  72  -9.938  -4.594 -10.466
  566   2HH1  ARG  72          2HH1      ARG  72 -10.770  -3.775 -11.739
  567   1HH2  ARG  72          1HH2      ARG  72 -13.852  -5.237 -11.055
  568   2HH2  ARG  72          2HH2      ARG  72 -12.989  -4.146 -12.079
  569    H    HIS  73           H        HIS  73  -9.200  -8.237  -3.876
  570    HA   HIS  73           HA       HIS  73  -7.286 -10.441  -4.262
  571   1HB   HIS  73          1HB       HIS  73  -6.638  -8.041  -2.596
  572   2HB   HIS  73          2HB       HIS  73  -5.561  -9.068  -3.539
  573    HD1  HIS  73           HD1      HIS  73  -6.972  -8.831  -6.282
  574    HD2  HIS  73           HD2      HIS  73  -6.164  -5.631  -3.767
  575    HE1  HIS  73           HE1      HIS  73  -7.010  -6.794  -7.759
  576    HE2  HIS  73           HE2      HIS  73  -6.407  -4.883  -6.228
  577    HA   PRO  74           HA       PRO  74  -9.491 -12.098  -0.644
  578   1HB   PRO  74          1HB       PRO  74  -7.441 -14.045  -0.379
  579   2HB   PRO  74          2HB       PRO  74  -9.033 -14.253  -1.115
  580   1HG   PRO  74          1HG       PRO  74  -6.411 -13.715  -2.403
  581   2HG   PRO  74          2HG       PRO  74  -7.807 -14.617  -3.020
  582   1HD   PRO  74          1HD       PRO  74  -7.216 -12.178  -3.944
  583   2HD   PRO  74          2HD       PRO  74  -8.904 -12.690  -3.712
  584    H    MET  75           H        MET  75  -5.898 -12.203  -0.537
  585    HA   MET  75           HA       MET  75  -6.005 -10.625   1.935
  586   1HB   MET  75          1HB       MET  75  -4.495 -13.222   1.602
  587   2HB   MET  75          2HB       MET  75  -4.285 -12.117   2.953
  588   1HG   MET  75          1HG       MET  75  -6.393 -12.562   3.817
  589   2HG   MET  75          2HG       MET  75  -6.986 -13.214   2.289
  590   1HE   MET  75          1HE       MET  75  -7.249 -16.338   2.501
  591   2HE   MET  75          2HE       MET  75  -8.068 -14.921   3.156
  592   3HE   MET  75          3HE       MET  75  -7.509 -16.196   4.237
  593    H    LEU  76           H        LEU  76  -5.291  -8.897   0.624
  594    HA   LEU  76           HA       LEU  76  -2.504  -9.110  -0.304
  595   1HB   LEU  76          1HB       LEU  76  -4.337  -8.448  -1.938
  596   2HB   LEU  76          2HB       LEU  76  -4.470  -6.950  -1.034
  597    HG   LEU  76           HG       LEU  76  -1.751  -7.654  -1.970
  598   1HD1  LEU  76          1HD1      LEU  76  -2.120  -7.668  -4.150
  599   2HD1  LEU  76          2HD1      LEU  76  -3.200  -6.280  -4.049
  600   3HD1  LEU  76          3HD1      LEU  76  -3.825  -7.908  -3.787
  601   1HD2  LEU  76          1HD2      LEU  76  -3.178  -5.398  -1.041
  602   2HD2  LEU  76          2HD2      LEU  76  -2.624  -5.060  -2.679
  603   3HD2  LEU  76          3HD2      LEU  76  -1.471  -5.536  -1.428
  604    HA   PRO  77           HA       PRO  77  -1.520  -6.579   3.256
  605   1HB   PRO  77          1HB       PRO  77   1.158  -6.368   2.091
  606   2HB   PRO  77          2HB       PRO  77   0.645  -7.132   3.598
  607   1HG   PRO  77          1HG       PRO  77   1.478  -8.558   1.454
  608   2HG   PRO  77          2HG       PRO  77   0.273  -9.164   2.601
  609   1HD   PRO  77          1HD       PRO  77  -0.119  -7.998  -0.127
  610   2HD   PRO  77          2HD       PRO  77  -0.950  -9.365   0.652
  611    H    VAL  78           H        VAL  78  -2.758  -4.751   2.656
  612    HA   VAL  78           HA       VAL  78  -1.386  -2.749   0.997
  613    HB   VAL  78           HB       VAL  78  -4.214  -2.466   1.965
  614   1HG1  VAL  78          1HG1      VAL  78  -4.089  -1.335  -0.474
  615   2HG1  VAL  78          2HG1      VAL  78  -2.418  -1.130   0.047
  616   3HG1  VAL  78          3HG1      VAL  78  -3.732  -0.474   1.022
  617   1HG2  VAL  78          1HG2      VAL  78  -5.021  -3.985   0.551
  618   2HG2  VAL  78          2HG2      VAL  78  -3.374  -4.573   0.356
  619   3HG2  VAL  78          3HG2      VAL  78  -4.024  -3.382  -0.770
  620    H    ILE  79           H        ILE  79  -0.505  -1.021   1.858
  621    HA   ILE  79           HA       ILE  79  -1.161  -0.286   4.646
  622    HB   ILE  79           HB       ILE  79   1.380   0.369   3.140
  623   1HG1  ILE  79          1HG1      ILE  79   1.676  -1.455   5.375
  624   2HG1  ILE  79          2HG1      ILE  79   0.611  -2.125   4.147
  625   1HG2  ILE  79          1HG2      ILE  79   2.243   0.963   5.354
  626   2HG2  ILE  79          2HG2      ILE  79   0.674   0.590   6.065
  627   3HG2  ILE  79          3HG2      ILE  79   0.832   1.932   4.932
  628   1HD1  ILE  79          1HD1      ILE  79   2.383  -1.691   2.464
  629   2HD1  ILE  79          2HD1      ILE  79   2.838  -2.850   3.712
  630   3HD1  ILE  79          3HD1      ILE  79   3.446  -1.196   3.782
  631    H    ILE  80           H        ILE  80  -1.678   1.857   5.094
  632    HA   ILE  80           HA       ILE  80  -2.069   3.575   2.728
  633    HB   ILE  80           HB       ILE  80  -3.506   3.896   5.356
  634   1HG1  ILE  80          1HG1      ILE  80  -4.117   1.707   4.624
  635   2HG1  ILE  80          2HG1      ILE  80  -5.433   2.780   4.162
  636   1HG2  ILE  80          1HG2      ILE  80  -3.344   5.705   3.460
  637   2HG2  ILE  80          2HG2      ILE  80  -4.869   5.405   4.287
  638   3HG2  ILE  80          3HG2      ILE  80  -4.576   4.706   2.695
  639   1HD1  ILE  80          1HD1      ILE  80  -3.344   2.348   2.131
  640   2HD1  ILE  80          2HD1      ILE  80  -5.093   2.473   1.960
  641   3HD1  ILE  80          3HD1      ILE  80  -4.368   0.965   2.519
  642    H    MET  81           H        MET  81  -1.610   5.792   2.843
  643    HA   MET  81           HA       MET  81   0.640   6.404   4.562
  644   1HB   MET  81          1HB       MET  81  -0.084   8.668   2.985
  645   2HB   MET  81          2HB       MET  81   1.341   7.651   2.862
  646   1HG   MET  81          1HG       MET  81  -1.293   7.067   1.549
  647   2HG   MET  81          2HG       MET  81   0.056   7.874   0.758
  648   1HE   MET  81          1HE       MET  81   2.650   6.424   0.692
  649   2HE   MET  81          2HE       MET  81   1.535   6.859  -0.598
  650   3HE   MET  81          3HE       MET  81   2.203   5.232  -0.527
  651    H    THR  82           H        THR  82  -2.671   6.816   4.948
  652    HA   THR  82           HA       THR  82  -2.259   8.500   7.204
  653    HB   THR  82           HB       THR  82  -3.434   9.741   4.729
  654    HG1  THR  82           HG1      THR  82  -1.492  10.522   4.933
  655   1HG2  THR  82          1HG2      THR  82  -5.056  10.083   6.568
  656   2HG2  THR  82          2HG2      THR  82  -4.291  11.562   5.983
  657   3HG2  THR  82          3HG2      THR  82  -3.765  10.840   7.502
  658    H    ALA  83           H        ALA  83  -4.173   8.956   8.421
  659    HA   ALA  83           HA       ALA  83  -6.559   7.419   7.692
  660   1HB   ALA  83          1HB       ALA  83  -5.912   7.183  10.532
  661   2HB   ALA  83          2HB       ALA  83  -4.707   6.434   9.486
  662   3HB   ALA  83          3HB       ALA  83  -6.395   5.943   9.374
  663    H    HIS  84           H        HIS  84  -7.382   9.617   7.255
  664    HA   HIS  84           HA       HIS  84  -7.660  11.359   9.570
  665   1HB   HIS  84          1HB       HIS  84  -9.226  12.457   7.502
  666   2HB   HIS  84          2HB       HIS  84  -7.646  12.988   8.051
  667    HD1  HIS  84           HD1      HIS  84  -5.729  12.712   6.454
  668    HD2  HIS  84           HD2      HIS  84  -9.145  10.737   5.203
  669    HE1  HIS  84           HE1      HIS  84  -5.247  11.973   4.094
  670    HE2  HIS  84           HE2      HIS  84  -7.380  10.870   3.314
  671    H    SER  85           H        SER  85 -10.051  10.051   7.228
  672    HA   SER  85           HA       SER  85 -11.954   9.901   9.485
  673   1HB   SER  85          1HB       SER  85 -12.232  11.059   6.784
  674   2HB   SER  85          2HB       SER  85 -13.613  10.126   7.362
  675    HG   SER  85           HG       SER  85 -13.535  12.453   7.912
  676    H    ASP  86           H        ASP  86 -14.000   8.565   8.627
  677    HA   ASP  86           HA       ASP  86 -14.786   6.429   8.506
  678   1HB   ASP  86          1HB       ASP  86 -13.332   6.921   5.929
  679   2HB   ASP  86          2HB       ASP  86 -14.173   5.397   6.201
  680    H    LEU  87           H        LEU  87 -12.651   6.354  10.214
  681    HA   LEU  87           HA       LEU  87 -10.571   4.606   9.643
  682   1HB   LEU  87          1HB       LEU  87 -11.446   5.997  11.853
  683   2HB   LEU  87          2HB       LEU  87 -11.592   4.326  12.360
  684    HG   LEU  87           HG       LEU  87  -9.386   5.634  12.819
  685   1HD1  LEU  87          1HD1      LEU  87  -9.604   2.835  11.758
  686   2HD1  LEU  87          2HD1      LEU  87  -9.539   3.378  13.435
  687   3HD1  LEU  87          3HD1      LEU  87  -8.102   3.483  12.420
  688   1HD2  LEU  87          1HD2      LEU  87  -7.775   5.700  11.137
  689   2HD2  LEU  87          2HD2      LEU  87  -9.241   6.243  10.321
  690   3HD2  LEU  87          3HD2      LEU  87  -8.670   4.589  10.102
  691    H    ASP  88           H        ASP  88 -13.921   3.811  10.365
  692    HA   ASP  88           HA       ASP  88 -13.664   1.162  11.152
  693   1HB   ASP  88          1HB       ASP  88 -15.792   2.594   9.572
  694   2HB   ASP  88          2HB       ASP  88 -15.938   0.885   9.978
  695    H    ALA  89           H        ALA  89 -13.456   2.558   7.918
  696    HA   ALA  89           HA       ALA  89 -13.481   0.111   6.485
  697   1HB   ALA  89          1HB       ALA  89 -12.329   1.534   4.700
  698   2HB   ALA  89          2HB       ALA  89 -12.515   2.875   5.832
  699   3HB   ALA  89          3HB       ALA  89 -13.937   2.028   5.227
  700    H    ALA  90           H        ALA  90 -10.997   1.829   8.245
  701    HA   ALA  90           HA       ALA  90  -8.746   0.461   7.140
  702   1HB   ALA  90          1HB       ALA  90  -9.075   1.865   9.798
  703   2HB   ALA  90          2HB       ALA  90  -8.442   2.571   8.313
  704   3HB   ALA  90          3HB       ALA  90  -7.544   1.295   9.135
  705    H    VAL  91           H        VAL  91 -10.711   0.047  10.079
  706    HA   VAL  91           HA       VAL  91  -9.434  -2.191  11.154
  707    HB   VAL  91           HB       VAL  91 -12.422  -1.726  11.265
  708   1HG1  VAL  91          1HG1      VAL  91 -12.413  -3.027  13.205
  709   2HG1  VAL  91          2HG1      VAL  91 -10.668  -2.883  13.406
  710   3HG1  VAL  91          3HG1      VAL  91 -11.325  -3.891  12.118
  711   1HG2  VAL  91          1HG2      VAL  91 -10.271  -0.085  12.282
  712   2HG2  VAL  91          2HG2      VAL  91 -11.257  -0.725  13.596
  713   3HG2  VAL  91          3HG2      VAL  91 -12.011   0.203  12.302
  714    H    SER  92           H        SER  92 -11.979  -1.982   8.693
  715    HA   SER  92           HA       SER  92 -12.312  -4.804   8.434
  716   1HB   SER  92          1HB       SER  92 -13.199  -3.952   6.035
  717   2HB   SER  92          2HB       SER  92 -14.165  -3.853   7.505
  718    HG   SER  92           HG       SER  92 -13.585  -1.686   7.712
  719    H    ALA  93           H        ALA  93 -10.012  -2.535   7.157
  720    HA   ALA  93           HA       ALA  93  -9.107  -4.035   4.925
  721   1HB   ALA  93          1HB       ALA  93  -8.602  -1.555   5.695
  722   2HB   ALA  93          2HB       ALA  93  -7.446  -2.461   4.718
  723   3HB   ALA  93          3HB       ALA  93  -7.210  -2.323   6.460
  724    H    TYR  94           H        TYR  94  -8.070  -3.904   8.323
  725    HA   TYR  94           HA       TYR  94  -5.933  -5.742   8.108
  726   1HB   TYR  94          1HB       TYR  94  -7.638  -5.373  10.573
  727   2HB   TYR  94          2HB       TYR  94  -5.932  -5.804  10.487
  728    HD1  TYR  94           HD1      TYR  94  -4.744  -3.845   8.762
  729    HD2  TYR  94           HD2      TYR  94  -7.844  -3.323  11.623
  730    HE1  TYR  94           HE1      TYR  94  -4.136  -1.474   8.986
  731    HE2  TYR  94           HE2      TYR  94  -7.233  -0.948  11.848
  732    HH   TYR  94           HH       TYR  94  -4.467   0.309  11.048
  733    H    GLN  95           H        GLN  95  -9.383  -6.144   8.429
  734    HA   GLN  95           HA       GLN  95  -9.454  -8.856   9.212
  735   1HB   GLN  95          1HB       GLN  95 -11.482  -7.830   9.535
  736   2HB   GLN  95          2HB       GLN  95 -11.370  -6.896   8.055
  737   1HG   GLN  95          1HG       GLN  95 -11.605  -9.494   7.143
  738   2HG   GLN  95          2HG       GLN  95 -12.647  -9.460   8.558
  739   1HE2  GLN  95          1HE2      GLN  95 -11.944  -6.885   6.223
  740   2HE2  GLN  95          2HE2      GLN  95 -13.577  -6.701   5.699
  741    H    GLN  96           H        GLN  96  -9.299  -7.320   6.020
  742    HA   GLN  96           HA       GLN  96  -9.605  -9.836   4.618
  743   1HB   GLN  96          1HB       GLN  96  -9.257  -8.496   2.578
  744   2HB   GLN  96          2HB       GLN  96 -10.500  -7.802   3.611
  745   1HG   GLN  96          1HG       GLN  96  -9.374  -5.895   3.860
  746   2HG   GLN  96          2HG       GLN  96  -7.865  -6.735   4.179
  747   1HE2  GLN  96          1HE2      GLN  96  -8.091  -4.365   2.701
  748   2HE2  GLN  96          2HE2      GLN  96  -7.604  -4.700   1.081
  749    H    GLY  97           H        GLY  97  -6.949  -7.725   5.545
  750   1HA   GLY  97          1HA       GLY  97  -4.888  -9.297   5.860
  751   2HA   GLY  97          2HA       GLY  97  -5.041  -9.454   4.121
  752    H    ALA  98           H        ALA  98  -5.651  -6.426   5.804
  753    HA   ALA  98           HA       ALA  98  -3.541  -5.168   4.265
  754   1HB   ALA  98          1HB       ALA  98  -4.538  -3.117   4.802
  755   2HB   ALA  98          2HB       ALA  98  -5.337  -3.777   6.229
  756   3HB   ALA  98          3HB       ALA  98  -5.897  -4.225   4.618
  757    H    PHE  99           H        PHE  99  -1.704  -4.235   5.108
  758    HA   PHE  99           HA       PHE  99  -0.645  -5.356   7.466
  759   1HB   PHE  99          1HB       PHE  99   0.671  -4.548   5.475
  760   2HB   PHE  99          2HB       PHE  99   0.406  -2.905   6.045
  761    HD1  PHE  99           HD1      PHE  99   1.333  -6.094   7.733
  762    HD2  PHE  99           HD2      PHE  99   2.338  -2.040   6.937
  763    HE1  PHE  99           HE1      PHE  99   3.296  -6.299   9.198
  764    HE2  PHE  99           HE2      PHE  99   4.305  -2.235   8.398
  765    HZ   PHE  99           HZ       PHE  99   4.787  -4.367   9.533
  766    H    ASP 100           H        ASP 100  -0.787  -1.821   7.001
  767    HA   ASP 100           HA       ASP 100  -2.324  -1.417   9.393
  768   1HB   ASP 100          1HB       ASP 100   0.298  -1.913   9.874
  769   2HB   ASP 100          2HB       ASP 100   0.343  -0.167   9.669
  770    H    TYR 101           H        TYR 101  -2.030   1.045  10.069
  771    HA   TYR 101           HA       TYR 101  -2.207   2.639   7.589
  772   1HB   TYR 101          1HB       TYR 101  -3.924   2.474   9.983
  773   2HB   TYR 101          2HB       TYR 101  -3.582   4.111   9.435
  774    HD1  TYR 101           HD1      TYR 101  -4.875   0.822   8.275
  775    HD2  TYR 101           HD2      TYR 101  -4.769   5.026   7.635
  776    HE1  TYR 101           HE1      TYR 101  -6.620   0.601   6.553
  777    HE2  TYR 101           HE2      TYR 101  -6.515   4.815   5.918
  778    HH   TYR 101           HH       TYR 101  -7.645   3.340   4.601
  779    H    LEU 102           H        LEU 102  -0.362   3.740   7.376
  780    HA   LEU 102           HA       LEU 102   1.002   4.834   9.731
  781   1HB   LEU 102          1HB       LEU 102   2.466   3.611   8.350
  782   2HB   LEU 102          2HB       LEU 102   1.789   4.284   6.883
  783    HG   LEU 102           HG       LEU 102   2.857   6.492   8.199
  784   1HD1  LEU 102          1HD1      LEU 102   5.243   4.928   8.118
  785   2HD1  LEU 102          2HD1      LEU 102   4.109   4.216   9.264
  786   3HD1  LEU 102          3HD1      LEU 102   4.593   5.903   9.434
  787   1HD2  LEU 102          1HD2      LEU 102   4.682   6.170   6.428
  788   2HD2  LEU 102          2HD2      LEU 102   3.018   6.395   5.898
  789   3HD2  LEU 102          3HD2      LEU 102   3.728   4.780   5.913
  790    HA   PRO 103           HA       PRO 103  -0.270   9.024   8.862
  791   1HB   PRO 103          1HB       PRO 103   1.849  10.454   9.762
  792   2HB   PRO 103          2HB       PRO 103   0.755   9.603  10.858
  793   1HG   PRO 103          1HG       PRO 103   3.433   8.732   9.812
  794   2HG   PRO 103          2HG       PRO 103   2.818   8.684  11.477
  795   1HD   PRO 103          1HD       PRO 103   2.819   6.505   9.895
  796   2HD   PRO 103          2HD       PRO 103   1.533   6.798  11.081
  797    H    LYS 104           H        LYS 104   0.313  10.975   7.535
  798    HA   LYS 104           HA       LYS 104   0.941  10.462   4.976
  799   1HB   LYS 104          1HB       LYS 104   0.199  12.693   6.046
  800   2HB   LYS 104          2HB       LYS 104   1.919  13.064   6.097
  801   1HG   LYS 104          1HG       LYS 104   0.769  13.977   4.100
  802   2HG   LYS 104          2HG       LYS 104   2.094  12.882   3.704
  803   1HD   LYS 104          1HD       LYS 104  -0.517  11.569   3.955
  804   2HD   LYS 104          2HD       LYS 104  -0.441  12.755   2.659
  805   1HE   LYS 104          1HE       LYS 104   1.803  11.538   2.083
  806   2HE   LYS 104          2HE       LYS 104   1.090  10.216   3.010
  807   1HZ   LYS 104          1HZ       LYS 104  -0.347  11.547   0.780
  808   2HZ   LYS 104          2HZ       LYS 104  -0.730  10.089   1.525
  809   3HZ   LYS 104          3HZ       LYS 104   0.648  10.199   0.546
  810    HA   PRO 105           HA       PRO 105   5.805  11.498   5.933
  811   1HB   PRO 105          1HB       PRO 105   5.697   9.429   8.094
  812   2HB   PRO 105          2HB       PRO 105   6.783  10.812   7.926
  813   1HG   PRO 105          1HG       PRO 105   4.685  10.830   9.616
  814   2HG   PRO 105          2HG       PRO 105   5.247  12.294   8.792
  815   1HD   PRO 105          1HD       PRO 105   2.798  10.732   8.367
  816   2HD   PRO 105          2HD       PRO 105   3.158  12.399   7.898
  817    H    PHE 106           H        PHE 106   6.611  10.376   4.219
  818    HA   PHE 106           HA       PHE 106   6.348   7.461   4.239
  819   1HB   PHE 106          1HB       PHE 106   4.525   8.820   2.870
  820   2HB   PHE 106          2HB       PHE 106   5.796   8.840   1.655
  821    HD1  PHE 106           HD1      PHE 106   3.747   6.607   3.763
  822    HD2  PHE 106           HD2      PHE 106   6.207   6.985   0.322
  823    HE1  PHE 106           HE1      PHE 106   3.077   4.346   3.046
  824    HE2  PHE 106           HE2      PHE 106   5.551   4.731  -0.410
  825    HZ   PHE 106           HZ       PHE 106   3.979   3.407   0.951
  826    H    ASP 107           H        ASP 107   7.423   9.884   1.863
  827    HA   ASP 107           HA       ASP 107   9.201   9.673   0.391
  828   1HB   ASP 107          1HB       ASP 107  11.337  10.219   1.809
  829   2HB   ASP 107          2HB       ASP 107  10.026  11.383   1.698
  830    H    ILE 108           H        ILE 108  11.255   8.349   2.920
  831    HA   ILE 108           HA       ILE 108  11.137   5.712   1.652
  832    HB   ILE 108           HB       ILE 108  13.378   7.536   1.372
  833   1HG1  ILE 108          1HG1      ILE 108  14.040   5.771  -0.291
  834   2HG1  ILE 108          2HG1      ILE 108  12.659   4.825   0.248
  835   1HG2  ILE 108          1HG2      ILE 108  13.946   4.823   2.569
  836   2HG2  ILE 108          2HG2      ILE 108  14.385   6.395   3.238
  837   3HG2  ILE 108          3HG2      ILE 108  15.149   5.824   1.756
  838   1HD1  ILE 108          1HD1      ILE 108  12.715   6.726  -1.764
  839   2HD1  ILE 108          2HD1      ILE 108  11.867   7.503  -0.434
  840   3HD1  ILE 108          3HD1      ILE 108  11.294   5.962  -1.064
  841    H    ASP 109           H        ASP 109  12.878   7.489   4.242
  842    HA   ASP 109           HA       ASP 109  13.546   5.392   5.855
  843   1HB   ASP 109          1HB       ASP 109  12.971   8.253   6.307
  844   2HB   ASP 109          2HB       ASP 109  12.904   7.234   7.742
  845    H    GLU 110           H        GLU 110  10.489   7.228   6.151
  846    HA   GLU 110           HA       GLU 110   9.349   5.440   8.042
  847   1HB   GLU 110          1HB       GLU 110   8.199   7.584   6.263
  848   2HB   GLU 110          2HB       GLU 110   7.168   6.597   7.292
  849   1HG   GLU 110          1HG       GLU 110   9.430   7.721   8.733
  850   2HG   GLU 110          2HG       GLU 110   8.416   8.954   7.994
  851    H    ALA 111           H        ALA 111   8.697   5.902   4.566
  852    HA   ALA 111           HA       ALA 111   6.846   3.880   4.177
  853   1HB   ALA 111          1HB       ALA 111   7.642   5.703   2.576
  854   2HB   ALA 111          2HB       ALA 111   7.226   4.139   1.879
  855   3HB   ALA 111          3HB       ALA 111   8.918   4.577   2.119
  856    H    VAL 112           H        VAL 112  10.383   3.631   3.695
  857    HA   VAL 112           HA       VAL 112  10.312   0.850   3.076
  858    HB   VAL 112           HB       VAL 112  12.637   2.596   3.902
  859   1HG1  VAL 112          1HG1      VAL 112  12.453  -0.269   3.503
  860   2HG1  VAL 112          2HG1      VAL 112  13.793   0.700   4.112
  861   3HG1  VAL 112          3HG1      VAL 112  13.586   0.476   2.376
  862   1HG2  VAL 112          1HG2      VAL 112  11.489   1.789   1.243
  863   2HG2  VAL 112          2HG2      VAL 112  13.144   2.370   1.417
  864   3HG2  VAL 112          3HG2      VAL 112  11.794   3.412   1.864
  865    H    ALA 113           H        ALA 113  11.297   2.616   6.037
  866    HA   ALA 113           HA       ALA 113  12.075   0.463   7.593
  867   1HB   ALA 113          1HB       ALA 113  12.416   2.661   8.422
  868   2HB   ALA 113          2HB       ALA 113  11.330   1.857   9.553
  869   3HB   ALA 113          3HB       ALA 113  10.689   3.014   8.389
  870    H    LEU 114           H        LEU 114   8.900   1.257   6.494
  871    HA   LEU 114           HA       LEU 114   7.618  -0.513   8.430
  872   1HB   LEU 114          1HB       LEU 114   6.678   1.746   7.815
  873   2HB   LEU 114          2HB       LEU 114   6.334   1.092   6.226
  874    HG   LEU 114           HG       LEU 114   4.894  -0.643   7.341
  875   1HD1  LEU 114          1HD1      LEU 114   4.575   1.008   9.731
  876   2HD1  LEU 114          2HD1      LEU 114   6.123   0.171   9.636
  877   3HD1  LEU 114          3HD1      LEU 114   4.619  -0.745   9.559
  878   1HD2  LEU 114          1HD2      LEU 114   3.026   0.769   7.444
  879   2HD2  LEU 114          2HD2      LEU 114   4.130   1.555   6.316
  880   3HD2  LEU 114          3HD2      LEU 114   3.992   2.146   7.970
  881    H    VAL 115           H        VAL 115   7.906  -0.159   4.877
  882    HA   VAL 115           HA       VAL 115   6.494  -2.440   4.137
  883    HB   VAL 115           HB       VAL 115   7.503  -0.577   2.646
  884   1HG1  VAL 115          1HG1      VAL 115   9.864  -1.112   3.321
  885   2HG1  VAL 115          2HG1      VAL 115   9.580  -1.006   1.586
  886   3HG1  VAL 115          3HG1      VAL 115   9.727  -2.583   2.359
  887   1HG2  VAL 115          1HG2      VAL 115   7.536  -2.135   0.685
  888   2HG2  VAL 115          2HG2      VAL 115   6.110  -2.265   1.712
  889   3HG2  VAL 115          3HG2      VAL 115   7.390  -3.472   1.825
  890    H    GLU 116           H        GLU 116   9.917  -2.158   5.053
  891    HA   GLU 116           HA       GLU 116  10.742  -4.763   4.433
  892   1HB   GLU 116          1HB       GLU 116  11.667  -2.743   6.460
  893   2HB   GLU 116          2HB       GLU 116  12.406  -4.336   6.371
  894   1HG   GLU 116          1HG       GLU 116  12.684  -3.761   3.846
  895   2HG   GLU 116          2HG       GLU 116  12.485  -2.102   4.403
  896    H    ARG 117           H        ARG 117   9.899  -3.548   7.690
  897    HA   ARG 117           HA       ARG 117   9.819  -6.024   8.954
  898   1HB   ARG 117          1HB       ARG 117   7.953  -4.748  10.407
  899   2HB   ARG 117          2HB       ARG 117   9.676  -4.446  10.572
  900   1HG   ARG 117          1HG       ARG 117   9.512  -2.494   9.171
  901   2HG   ARG 117          2HG       ARG 117   7.809  -2.830   8.852
  902   1HD   ARG 117          1HD       ARG 117   7.796  -1.172  10.511
  903   2HD   ARG 117          2HD       ARG 117   7.481  -2.683  11.372
  904    HE   ARG 117           HE       ARG 117  10.268  -2.085  11.316
  905   1HH1  ARG 117          1HH1      ARG 117   7.313  -1.169  12.891
  906   2HH1  ARG 117          2HH1      ARG 117   8.099  -0.674  14.346
  907   1HH2  ARG 117          1HH2      ARG 117  11.297  -1.420  13.198
  908   2HH2  ARG 117          2HH2      ARG 117  10.360  -0.819  14.519
  909    H    ALA 118           H        ALA 118   7.389  -4.458   6.961
  910    HA   ALA 118           HA       ALA 118   5.148  -6.010   7.600
  911   1HB   ALA 118          1HB       ALA 118   5.232  -5.455   4.775
  912   2HB   ALA 118          2HB       ALA 118   5.788  -4.055   5.690
  913   3HB   ALA 118          3HB       ALA 118   4.202  -4.751   6.022
  914    H    ILE 119           H        ILE 119   7.575  -6.521   5.021
  915    HA   ILE 119           HA       ILE 119   6.580  -9.114   4.310
  916    HB   ILE 119           HB       ILE 119   9.345  -8.018   3.749
  917   1HG1  ILE 119          1HG1      ILE 119   7.311  -7.969   1.612
  918   2HG1  ILE 119          2HG1      ILE 119   7.039  -6.821   2.920
  919   1HG2  ILE 119          1HG2      ILE 119   8.353  -9.671   1.675
  920   2HG2  ILE 119          2HG2      ILE 119   8.097 -10.519   3.199
  921   3HG2  ILE 119          3HG2      ILE 119   9.713  -9.970   2.755
  922   1HD1  ILE 119          1HD1      ILE 119   8.721  -5.511   2.268
  923   2HD1  ILE 119          2HD1      ILE 119   8.599  -6.382   0.740
  924   3HD1  ILE 119          3HD1      ILE 119   9.790  -6.876   1.942
  925    H    SER 120           H        SER 120   9.141  -7.908   6.428
  926    HA   SER 120           HA       SER 120  10.397 -10.343   7.041
  927   1HB   SER 120          1HB       SER 120  11.159  -7.992   7.677
  928   2HB   SER 120          2HB       SER 120   9.999  -8.080   9.003
  929    HG   SER 120           HG       SER 120  11.895 -10.136   8.653
  930    H    HIS 121           H        HIS 121   7.580  -8.757   8.494
  931    HA   HIS 121           HA       HIS 121   7.161 -10.735  10.531
  932   1HB   HIS 121          1HB       HIS 121   5.638  -8.362   9.514
  933   2HB   HIS 121          2HB       HIS 121   4.831  -9.520  10.561
  934    HD1  HIS 121           HD1      HIS 121   8.162  -7.658  10.707
  935    HD2  HIS 121           HD2      HIS 121   4.930  -8.690  13.092
  936    HE1  HIS 121           HE1      HIS 121   8.635  -6.628  12.960
  937    HE2  HIS 121           HE2      HIS 121   6.838  -7.594  14.450
  938    H    TYR 122           H        TYR 122   6.583 -10.774   7.214
  939    HA   TYR 122           HA       TYR 122   4.399 -12.715   7.489
  940   1HB   TYR 122          1HB       TYR 122   4.797 -10.537   5.693
  941   2HB   TYR 122          2HB       TYR 122   4.835 -12.022   4.757
  942    HD1  TYR 122           HD1      TYR 122   2.788 -10.103   4.177
  943    HD2  TYR 122           HD2      TYR 122   2.789 -13.112   7.170
  944    HE1  TYR 122           HE1      TYR 122   0.332 -10.158   4.105
  945    HE2  TYR 122           HE2      TYR 122   0.331 -13.169   7.120
  946    HH   TYR 122           HH       TYR 122  -1.526 -10.974   5.045
  947    H    GLN 123           H        GLN 123   7.671 -12.255   6.167
  948    HA   GLN 123           HA       GLN 123   7.676 -14.948   5.059
  949   1HB   GLN 123          1HB       GLN 123   8.922 -13.019   3.975
  950   2HB   GLN 123          2HB       GLN 123  10.066 -13.121   5.311
  951   1HG   GLN 123          1HG       GLN 123  10.121 -15.664   4.588
  952   2HG   GLN 123          2HG       GLN 123   9.643 -14.980   3.036
  953   1HE2  GLN 123          1HE2      GLN 123  12.185 -16.148   4.415
  954   2HE2  GLN 123          2HE2      GLN 123  13.427 -15.087   3.858
  955    H    GLU 124           H        GLU 124   7.944 -16.641   6.294
  956    HA   GLU 124           HA       GLU 124   9.758 -16.505   8.622
  957   1HB   GLU 124          1HB       GLU 124   7.155 -16.783   8.912
  958   2HB   GLU 124          2HB       GLU 124   7.477 -18.453   8.471
  959   1HG   GLU 124          1HG       GLU 124   8.763 -17.003  10.782
  960   2HG   GLU 124          2HG       GLU 124   7.342 -18.022  10.898